0 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,0,0,0,0,0|2,0,2]=4 4 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,0,0,0,0,0|1,0,0]=1 5 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,0,0,0,0,0|1,0,0]=1 7 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,0,0,0,0,0|1,0,0]=1 8 B6R0.3 C=C(Br)C(=O)OC MCULE-6192595524 [0,0,0,0,0,0|4,0,0]=4 9 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [0,0,0,0,0,0|4,0,0]=4 11 B6R0.3 C=C(C)C(=O)OC MCULE-9286083206 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,0,0,0,0,0|1,0,1]=2 14 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.3 C=C(Cl)C(=O)OC MCULE-6494333767 [0,0,0,0,0,0|4,0,0]=4 16 B6R0.3 C=C(F)C(=O)OC MCULE-8485282148 [0,0,0,0,0,0|4,0,0]=4 17 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,0,0,0,0,0|2,0,0]=2 18 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,0,0,0,0,0|1,0,1]=2 19 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,0,0,0,0|1,0,2]=3 20 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,0,0,0,0,0|0,0,2]=2 21 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,0,0,0,0,0|0,0,2]=2 22 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,0,0,0,0,0|0,0,2]=2 23 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,0,0,0,0,0|0,0,2]=2 24 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,0,0,0,0,0|1,0,2]=3 25 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,0,0,0,0,0|3,0,1]=4 26 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,0,0,0,0|1,0,2]=3 27 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,0,0,0,0,0|0,0,2]=2 28 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,0,0,0,0,0|0,0,2]=2 29 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,0,0,0,0,0|0,0,2]=2 30 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,0,0,0,0|1,0,2]=3 31 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,0,0,0,0|1,0,2]=3 32 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,0,0,0,0|1,0,2]=3 33 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,0,0,0,0,0|0,0,2]=2 34 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,0,0,0,0,0|0,0,2]=2 35 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,0,0,0,0,0|0,0,2]=2 36 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,0,0,0,0,0|0,0,2]=2 37 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,0,0,0,0,0|3,0,0]=3 39 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,0,0,0,0,0|4,0,0]=4 40 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,0,0,0,0,0|4,0,0]=4 41 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,0,0,0,0,0|4,0,0]=4 42 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,0,0,0,0,0|3,0,1]=4 45 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,0,0,0,0,0|3,0,1]=4 46 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,0,0,0,0,0|3,0,1]=4 47 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,0,0,0,0,0|2,0,2]=4 48 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,0,0,0,0,0|2,0,2]=4 49 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,0,0,0,0,0|2,0,2]=4 50 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,0,0,0,0,0|2,0,2]=4 51 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,0,0,0,0,0|2,0,2]=4 55 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,0,0,0,0,0|2,0,2]=4 56 B6R0.3 CC(O)/C(=N/O)/N MCULE-6135321689 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,0,0,0,0,0|3,0,1]=4 59 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,0,0,0,0,0|3,0,1]=4 60 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,0,0,0,0,0|3,0,1]=4 61 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,0,0,0,0,0|1,0,0]=1 62 B6R0.3 CC=C(C)B(O)O MCULE-7915552360 [0,0,0,0,0,0|2,0,1]=3 63 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,0,0,0,0,0|2,0,0]=2 64 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [0,0,0,0,0,0|2,0,0]=2 65 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,0,0,0,0,0|1,0,0]=1 66 B6R0.3 CC=C(C)C(C)C MCULE-4070109813 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,0,0,0,0,0|1,0,0]=1 68 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,0,0,0,0,0|1,0,0]=1 69 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,0,0,0,0,0|1,0,0]=1 70 B6R0.3 CCC(=C(C)C)C MCULE-7258057243 [0,0,0,0,0,0|3,0,1]=4 71 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,0,0,0,0,0|1,0,1]=2 73 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,0,0,0,0,0|1,0,2]=3 74 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [0,0,0,0,0,0|2,0,2]=4 75 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,0,0,0,0,0|2,0,2]=4 76 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,0,0,0,0,0|2,0,2]=4 77 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,0,0,0,0,0|2,0,2]=4 78 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,0,0,0,0,0|2,0,2]=4 79 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,0,0,0,0,0|1,0,2]=3 80 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,0,0,0,0,0|2,0,2]=4 81 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,0,0,0,0,0|2,0,2]=4 82 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,0,0,0,0,0|2,0,2]=4 83 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,0,0,0,0,0|1,0,2]=3 84 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,0,0,0,0,0|1,0,2]=3 85 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,0,0,0,0,0|2,0,2]=4 86 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,0,0,0,0,0|2,0,2]=4 87 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,0,0,0,0,0|1,0,2]=3 88 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,0,0,0,0,0|1,0,2]=3 89 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,0,0,0,0,0|1,0,2]=3 90 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,0,0,0,0,0|1,0,2]=3 91 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,0,0,0,0,0|1,0,2]=3 92 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,0,0,0,0,0|1,0,2]=3 93 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,0,0,0,0,0|0,0,2]=2 94 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,0,0,0,0,0|0,0,2]=2 95 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,0,0,0,0,0|0,0,2]=2 96 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,0,0,0,0,0|0,0,2]=2 97 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,0,0,0,0,0|1,0,3]=4 98 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,0,0,0,0,0|1,0,3]=4 99 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,0,0,0,0,0|2,0,2]=4 100 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,0,0,0,0,0|1,0,2]=3 101 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,0,0,0,0,0|1,0,2]=3 102 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,0,0,0,0,0|1,0,3]=4 103 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,0,0,0,0,0|1,0,3]=4 104 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,0,0,0,0,0|2,0,2]=4 105 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,0,0,0,0,0|1,0,2]=3 106 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,0,0,0,0,0|3,0,1]=4 108 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,0,0,0,0,0|2,0,1]=3 109 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,0,0,0,0,0|3,0,1]=4 110 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,0,0,0,0,0|1,0,2]=3 111 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,0,0,0,0,0|1,0,2]=3 112 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,0,0,0,0,0|2,0,2]=4 113 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,0,0,0,0,0|2,0,2]=4 114 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,0,0,0,0,0|1,0,2]=3 115 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,0,0,0,0,0|1,0,2]=3 116 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,0,0,0,0,0|1,0,2]=3 117 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,0,0,0,0,0|1,0,2]=3 118 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,0,0,0,0,0|1,0,2]=3 119 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,0,0,0,0,0|1,0,2]=3 120 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,0,0,0,0,0|1,0,2]=3 121 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,0,0,0,0,0|1,0,2]=3 122 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,0,0,0,0,0|0,0,2]=2 123 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,0,0,0,0,0|0,0,2]=2 124 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,0,0,0,0,0|0,0,2]=2 125 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,0,0,0,0,0|0,0,2]=2 126 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,0,0,0,0,0|1,0,3]=4 127 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,0,0,0,0,0|1,0,3]=4 128 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,0,0,0,0,0|1,0,2]=3 129 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,0,0,0,0,0|1,0,2]=3 130 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,0,0,0,0,0|1,0,2]=3 131 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,0,0,0,0,0|1,0,2]=3 132 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,0,0,0,0,0|1,0,2]=3 133 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,0,0,0,0,0|1,0,2]=3 134 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,0,0,0,0,0|1,0,2]=3 135 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,0,0,0,0,0|1,0,2]=3 136 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,0,0,0,0,0|1,0,2]=3 137 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,0,0,0,0,0|1,0,2]=3 138 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,0,0,0,0,0|1,0,2]=3 139 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,0,0,0,0,0|0,0,2]=2 140 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,0,0,0,0,0|0,0,2]=2 141 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,0,0,0,0,0|0,0,2]=2 142 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,0,0,0,0,0|0,0,2]=2 143 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,0,0,0,0,0|0,1,2]=3 144 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,0,0,0,0,0|0,1,2]=3 145 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,0,0,0,0,0|1,0,3]=4 146 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,0,0,0,0,0|1,0,3]=4 147 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,0,0,0,0,0|1,0,3]=4 148 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,0,0,0,0,0|1,0,3]=4 149 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,0,0,0,0,0|1,0,3]=4 150 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,0,0,0,0,0|1,0,3]=4 151 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,0,0,0,0,0|1,0,2]=3 152 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,0,0,0,0,0|1,0,2]=3 153 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,0,0,0,0,0|1,0,3]=4 154 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,0,0,0,0,0|2,0,0]=2 155 B6R0.3 CNC(=O)C(C)O MCULE-4714977257 [0,0,0,0,0,0|3,0,1]=4 156 B6R0.3 CNC(=O)[C@@H](C)O MCULE-8955033466 [0,0,0,0,0,0|3,0,1]=4 157 B6R0.3 CNC(=O)[C@H](C)O MCULE-8015727044 [0,0,0,0,0,0|3,0,1]=4 158 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,0,0,0,0,0|3,0,1]=4 159 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,0,0,0,0,0|3,0,1]=4 160 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,0,0,0,0,0|2,0,1]=3 161 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,0,0,0,0,0|2,0,1]=3 162 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,0,0,0,0,0|2,0,1]=3 163 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,0,0,0,0,0|2,0,1]=3 165 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,0,0,0,0,0|2,0,1]=3 166 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,0,0,0,0,0|2,0,1]=3 167 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,0,0,0,0,0|2,0,1]=3 168 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,0,0,0,0,0|2,0,1]=3 169 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,0,0,0,0,0|2,0,1]=3 170 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,0,0,0,0,0|2,0,1]=3 171 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,0,0,0,0,0|4,0,0]=4 172 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,0,0,0,0,0|4,0,0]=4 173 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,0,0,0,0,0|3,0,0]=3 174 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [0,0,0,0,0,0|3,0,0]=3 175 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,0,0,0,0,0|2,0,0]=2 176 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [0,0,0,0,0,0|2,0,1]=3 177 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,0,0,0,0,0|3,1,0]=4 178 B6R0.3 COC(=O)C(C)O MCULE-7040827393 [0,0,0,0,0,0|3,0,1]=4 179 B6R0.3 COC(=O)C(C)O MCULE-7872489483 [0,0,0,0,0,0|3,0,1]=4 180 B6R0.3 COC(=O)[C@@H](C)O MCULE-5441095431 [0,0,0,0,0,0|3,0,1]=4 181 B6R0.3 COC(=O)[C@@H](C)O MCULE-6924152779 [0,0,0,0,0,0|3,0,1]=4 182 B6R0.3 COC(=O)[C@H](C)O MCULE-2590929895 [0,0,0,0,0,0|3,0,1]=4 183 B6R0.3 COC(=O)[C@H](C)O MCULE-3292709954 [0,0,0,0,0,0|3,0,1]=4 184 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,0,0,0,0,0|3,0,1]=4 185 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,0,0,0,0,0|2,0,1]=3 186 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,0,0,0,0,0|3,0,1]=4 187 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,0,0,0,0,0|3,0,1]=4 188 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,0,0,0,0,0|2,0,1]=3 189 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,0,0,0,0,0|4,0,0]=4 190 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,0,0,0,0,0|4,0,0]=4 191 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,0,0,0,0,0|3,0,1]=4 192 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,0,0,0,0,0|2,0,1]=3 193 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,0,0,0,0,0|2,0,1]=3 194 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,0,0,0,0,0|2,0,1]=3 195 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,0,0,0,0,0|2,0,1]=3 196 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,0,0,0,0,0|3,0,1]=4 197 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,0,0,0,0,0|2,0,1]=3 198 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,0,0,0,0,0|2,0,2]=4 199 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,0,0,0,0,0|2,0,2]=4 200 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,0,0,0,0,0|2,0,2]=4 201 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,0,0,0,0,0|2,0,2]=4 202 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,0,0,0,0,0|2,0,2]=4 203 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,0,0,0,0,0|2,0,2]=4 204 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,0,0,0,0,0|3,0,1]=4 205 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,0,0,0,0,0|3,0,1]=4 206 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,0,0,0,0,0|2,0,2]=4 207 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,0,0,0,0,0|2,0,2]=4 208 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,0,0,0,0,0|2,0,2]=4 209 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,0,0,0,0,0|2,0,2]=4 210 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,0,0,0,0,0|2,0,2]=4 211 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,0,0,0,0,0|2,0,2]=4 212 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,0,0,0,0,0|3,0,1]=4 213 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,0,0,0,0,0|3,0,1]=4 214 B6R0.3 N#CC(=C(Cl)Cl)N MCULE-1027351101 [0,0,0,0,0,0|3,0,1]=4 215 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,0,0,0,0,0|2,0,2]=4 216 B6R0.3 NC(=O)/C(=N/O)/N MCULE-6909019905 [0,0,0,0,0,0|3,0,0]=3 217 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,0,0,0,0,0|2,0,2]=4 218 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,0,0,0,0,0|2,0,2]=4 219 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,0,0,0,0,0|2,0,2]=4 220 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,0,0,0,0,0|2,0,2]=4 221 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,0,0,0,0,0|2,0,2]=4 222 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,0,0,0,0,0|2,0,2]=4 223 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,0,0,0,0,0|2,0,2]=4 224 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,0,0,0,0,0|2,0,2]=4 225 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,0,0,0,0,0|2,0,2]=4 226 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,0,0,0,0,0|2,0,2]=4 227 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,0,0,0,0,0|2,0,2]=4 228 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,0,0,0,0,0|2,0,2]=4 229 B6R0.3 NC(=S)/C(=N/O)/N MCULE-1544637781 [0,0,0,0,0,0|3,1,0]=4 230 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,0,0,0,0,0|1,0,2]=3 231 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,0,0,0,0,0|1,0,2]=3 232 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,0,0,0,0,0|1,0,2]=3 233 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,0,0,0,0,0|1,0,2]=3 234 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,0,0,0,0,0|1,0,2]=3 235 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,0,0,0,0,0|1,0,2]=3 236 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,0,0,0,0,0|1,0,2]=3 237 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,0,0,0,0,0|1,0,2]=3 238 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,0,0,0,0,0|1,0,2]=3 239 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,0,0,0,0,0|1,0,2]=3 240 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,0,0,0,0,0|2,0,2]=4 241 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,0,0,0,0,0|2,0,2]=4 242 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,0,0,0,0,0|2,0,2]=4 243 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,0,0,0,0,0|2,0,2]=4 244 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,0,0,0,0,0|1,0,2]=3 245 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,0,0,0,0,0|1,0,2]=3 246 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,0,0,0,0,0|1,0,2]=3 247 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,0,0,0,0,0|1,0,2]=3 248 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,0,0,0,0,0|1,0,2]=3 249 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,0,0,0,0,0|2,0,2]=4 250 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,0,0,0,0,0|2,0,2]=4 251 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,0,0,0,0,0|2,0,2]=4 252 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,0,0,0,0,0|2,0,2]=4 253 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,0,0,0,0,0|2,0,2]=4 254 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,0,0,0,0,0|2,0,2]=4 255 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,0,0,0,0,0|1,0,2]=3 256 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,0,0,0,0,0|1,0,2]=3 257 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,0,0,0,0,0|1,0,2]=3 258 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,0,0,0,0,0|2,0,2]=4 259 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,0,0,0,0,0|2,0,2]=4 260 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,0,0,0,0,0|2,0,2]=4 261 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,0,0,0,0,0|2,0,2]=4 262 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,0,0,0,0,0|2,0,2]=4 263 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,0,0,0,0,0|2,0,2]=4 264 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,0,0,0,0,0|1,0,2]=3 265 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,0,0,0,0,0|1,0,2]=3 266 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,0,0,0,0,0|1,0,2]=3 267 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,0,0,0,0,0|1,0,2]=3 268 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,0,0,0,0,0|1,0,2]=3 269 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,0,0,0,0,0|1,0,2]=3 270 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,0,0,0,0,0|2,0,2]=4 271 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,0,0,0,0,0|2,0,2]=4 272 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,0,0,0,0,0|4,0,0]=4 273 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,0,0,0,0,0|1,0,2]=3 274 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,0,0,0,0,0|1,0,2]=3 275 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,0,0,0,0,0|1,0,2]=3 276 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,0,0,0,0,0|1,0,2]=3 277 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,0,0,0,0,0|1,0,2]=3 278 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,0,0,0,0,0|1,0,2]=3 279 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,0,0,0,0,0|1,0,2]=3 280 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,0,0,0,0,0|1,0,2]=3 281 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,0,0,0,0,0|1,0,2]=3 282 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,0,0,0,0,0|1,0,2]=3 283 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,0,0,0,0,0|1,0,2]=3 284 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,0,0,0,0,0|1,0,2]=3 285 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,0,0,0,0,0|1,0,2]=3 286 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,0,0,0,0,0|1,0,2]=3 287 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,0,0,0,0,0|1,0,2]=3 288 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,0,0,0,0,0|1,0,2]=3 289 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,0,0,0,0,0|1,0,2]=3 290 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,0,0,0,0,0|1,0,2]=3 291 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,0,0,0,0,0|1,0,2]=3 292 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,0,0,0,0,0|1,0,2]=3 293 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,0,0,0,0,0|1,0,2]=3 294 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,0,0,0,0,0|1,0,2]=3 295 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,0,0,0,0,0|1,0,2]=3 296 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,0,0,0,0,0|1,0,2]=3 297 B6R0.3 O=C(Cl)/C(=C/Cl)/Cl MCULE-1765210878 [0,0,0,0,0,0|3,0,0]=3 298 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,0,0,0,0,0|3,0,1]=4 299 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,0,0,0,0,0|2,0,0]=2 300 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,0,0,0,0,0|2,0,0]=2 301 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,0,0,0,0,0|2,0,1]=3 302 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,0,0,0,0,0|2,0,1]=3 303 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,0,0,0,0,0|2,0,1]=3 304 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,0,0,0,0,0|2,0,1]=3 305 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,0,0,0,0,0|2,0,1]=3 306 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,0,0,0,0,0|2,0,2]=4 307 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,0,0,0,0,0|2,0,2]=4 308 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,0,0,0,0,0|2,0,2]=4 309 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,0,0,0,0,0|2,0,2]=4 310 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,0,0,0,0,0|2,0,2]=4 311 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,0,0,0,0,0|2,0,2]=4 312 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,0,0,0,0,0|2,0,2]=4 313 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,0,0,0,0,0|2,0,2]=4 314 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,0,0,0,0,0|2,0,2]=4 315 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,0,0,0,0,0|2,0,2]=4 316 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,0,0,0,0,0|2,0,2]=4 317 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,0,0,0,0,0|2,0,2]=4 318 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,0,0,0,0,0|2,0,2]=4 319 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,0,0,0,0,0|2,0,2]=4 320 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,0,0,0,0,0|2,0,2]=4 321 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,0,0,0,0,0|2,0,2]=4 322 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,0,0,0,0,0|2,0,2]=4 323 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,0,0,0,0,0|2,0,2]=4 324 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,0,0,0,0,0|2,0,2]=4 325 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,0,0,0,0,0|0,0,2]=2 326 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,0,0,0,0,0|1,0,2]=3 327 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,0,0,0,0,0|2,0,1]=3 328 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,0,0,0,0,0|2,0,2]=4 329 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,0,0,0,0,0|1,0,2]=3 330 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,0,0,0,0,0|1,0,2]=3 331 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,0,0,0,0|0,0,3]=4 332 B5R0.1 C/C=C/B(O)O MCULE-6649221952 [1,0,0,0,0,0|1,0,1]=3 333 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,0,0,0,0|1,0,0]=2 334 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,0,0,0,0|1,0,0]=2 335 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|1,0,0]=2 336 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|0,0,0]=1 337 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [1,0,0,0,0,0|2,0,1]=4 338 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,0,0,0,0,0|1,0,1]=3 339 B5R0.1 C/C=C\B(O)O MCULE-3000711987 [1,0,0,0,0,0|1,0,1]=3 340 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,0,0,0,0,0|2,0,1]=4 341 B5R0.1 C=CC=C(Cl)Cl MCULE-3787858961 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|1,0,2]=4 343 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|1,0,2]=4 344 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|0,0,2]=3 345 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,0,0,0,0|2,0,1]=4 346 B5R0.1 C=CNC(=O)N MCULE-4235216182 [1,0,0,0,0,0|2,0,1]=4 347 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,0,0,0,0|2,0,1]=4 348 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [1,0,0,0,0,0|2,0,1]=4 349 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [1,0,0,0,0,0|0,0,3]=4 350 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,0,0,0,0|1,0,2]=4 351 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [1,0,0,0,0,0|1,0,2]=4 352 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|0,0,2]=3 353 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,0,0,0,0|3,0,0]=4 354 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,0,0,0,0|3,0,0]=4 355 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,0,0,0,0|3,0,0]=4 356 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,0,0,0,0,0|3,0,0]=4 357 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,0,0,0,0,0|3,0,0]=4 358 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,0,0,0,0,0|2,0,1]=4 359 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,0,0,0,0,0|3,0,0]=4 360 B5R0.1 CC=CB(O)O MCULE-7417903348 [1,0,0,0,0,0|1,0,1]=3 361 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,0,0,0,0|1,0,0]=2 362 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,0,0,0,0|1,0,0]=2 363 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|1,0,0]=2 364 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|0,0,0]=1 365 B5R0.1 CC=CC(C)C MCULE-9898453837 [1,0,0,0,0,0|2,0,1]=4 366 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,0,0,0,0,0|1,0,1]=3 367 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [1,0,0,0,0,0|1,0,1]=3 368 B5R0.1 CCC=C(C)C MCULE-2405063894 [1,0,0,0,0,0|2,0,1]=4 369 B5R0.1 CCC=C(F)F MCULE-5180612061 [1,0,0,0,0,0|2,0,1]=4 370 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|1,0,2]=4 371 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|1,0,2]=4 372 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|1,0,2]=4 373 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|0,0,2]=3 374 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|0,0,3]=4 375 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|0,0,3]=4 376 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|0,1,2]=4 377 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|2,0,1]=4 378 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|2,0,1]=4 379 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|2,0,1]=4 380 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|2,0,1]=4 381 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|2,0,1]=4 382 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|2,0,1]=4 383 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|2,0,1]=4 384 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|2,0,1]=4 385 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|2,0,1]=4 386 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|2,0,1]=4 387 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|2,0,1]=4 388 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|2,0,1]=4 389 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|1,0,1]=3 390 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|1,0,1]=3 391 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|1,0,2]=4 392 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,0,0,0,0|3,0,0]=4 393 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,0,0,0,0|3,0,0]=4 394 B5R0.1 COC=C(C)C MCULE-6348538911 [1,0,0,0,0,0|3,0,0]=4 395 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|2,0,1]=4 396 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|2,0,1]=4 397 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|2,0,1]=4 398 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|1,0,1]=3 399 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,0,0,0,0|3,0,0]=4 400 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,0,0,0,0|3,0,0]=4 401 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|2,0,1]=4 402 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|2,0,1]=4 403 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|2,0,1]=4 404 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|1,0,1]=3 405 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,0,0,0,0|3,0,0]=4 406 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,0,0,0,0|1,0,2]=4 407 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,0,0,0,0,0|2,0,0]=3 408 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,0,0,0,0,0|3,0,0]=4 409 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|1,0,2]=4 410 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|1,0,2]=4 411 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|1,0,2]=4 412 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|2,0,1]=4 413 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|2,0,1]=4 414 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|2,0,1]=4 415 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|2,0,1]=4 416 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|2,0,1]=4 417 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [1,0,0,0,0,0|2,0,0]=3 418 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|1,0,0]=2 419 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|1,0,0]=2 420 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|1,0,0]=2 421 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|1,0,0]=2 422 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|1,0,0]=2 423 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|1,0,0]=2 424 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,0,0,0,0,0|2,0,0]=3 425 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,0,0,0,0,0|1,0,2]=4 426 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|1,0,0]=2 427 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|1,0,0]=2 428 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|1,0,0]=2 429 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,0,0,0,0,0|2,0,0]=3 430 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|1,0,2]=4 431 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|1,0,2]=4 432 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|1,0,2]=4 433 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|1,0,2]=4 434 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|1,0,2]=4 435 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|1,0,2]=4 436 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,0,0,0,0|2,0,1]=4 437 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [1,0,0,0,0,0|1,0,1]=3 438 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [1,0,0,0,0,0|1,0,2]=4 439 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,0,0,0,0,0|2,0,0]=3 440 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,0,0,0,0,0|2,0,1]=4 441 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,0,0,0,0,0|1,0,0]=2 442 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,0,0,0,0,0|2,0,1]=4 443 B5R0.3 C/N=C(\N)/SC MCULE-1114021101 [1,0,0,0,0,0|3,0,0]=4 444 B5R0.3 C/N=C(\N)/SC MCULE-4249574209 [1,0,0,0,0,0|3,0,0]=4 445 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,0,0,0,0,0|1,0,1]=3 446 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,0,0,0,0,0|1,0,2]=4 447 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [1,0,0,0,0,0|2,0,0]=3 448 B5R0.3 C=CC(=CC)C MCULE-8585683674 [1,0,0,0,0,0|2,0,0]=3 449 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [1,0,0,0,0,0|2,0,1]=4 450 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,0,0,0,0,0|2,0,1]=4 451 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,0,0,0,0,0|3,0,0]=4 452 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,0,0,0,0,0|2,0,1]=4 453 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,0,0,0,0,0|3,0,0]=4 454 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,0,0,0,0,0|1,0,2]=4 455 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,0,0,0,0,0|1,0,2]=4 456 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,0,0,0,0,0|0,0,3]=4 457 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,0,0,0,0,0|0,0,3]=4 458 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,0,0,0,0,0|0,0,3]=4 459 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,0,0,0,0,0|0,0,3]=4 460 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,0,0,0,0,0|0,0,3]=4 461 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,0,0,0,0,0|0,0,3]=4 462 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,0,0,0,0,0|0,0,3]=4 463 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,0,0,0,0,0|0,0,3]=4 464 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,0,0,0,0,0|0,0,3]=4 465 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,0,0,0,0,0|0,0,3]=4 466 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,0,0,0,0,0|0,0,3]=4 467 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,0,0,0,0,0|0,0,3]=4 468 B5R0.3 CC(=CI)CO MCULE-8491569199 [1,0,0,0,0,0|2,0,1]=4 469 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,0,0,0,0,0|2,0,0]=3 470 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [1,0,0,0,0,0|2,0,1]=4 471 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,0,0,0,0,0|1,0,1]=3 472 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,0,0,0,0,0|1,0,1]=3 473 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [1,0,0,0,0,0|1,0,0]=2 474 B5R0.3 CC=C(C)C#N MCULE-4009455127 [1,0,0,0,0,0|2,0,1]=4 475 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,0,0,0,0,0|1,0,0]=2 476 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,0,0,0,0,0|2,0,1]=4 477 B5R0.3 CC=C(C)CCl MCULE-2444762050 [1,0,0,0,0,0|2,0,1]=4 478 B5R0.3 CCC(=NO)C MCULE-1859652505 [1,0,0,0,0,0|2,0,1]=4 479 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,0,0,0,0,0|1,0,2]=4 480 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,0,0,0,0,0|2,0,1]=4 481 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,0,0,0,0,0|1,0,2]=4 482 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,0,0,0,0,0|1,0,2]=4 483 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,0,0,0,0,0|1,0,2]=4 484 B5R0.3 CCC(N)CO MCULE-1135809021 [1,0,0,0,0,0|0,0,3]=4 485 B5R0.3 CCC(N)CO MCULE-7588854111 [1,0,0,0,0,0|0,0,3]=4 486 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,0,0,0,0,0|2,0,1]=4 487 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [1,0,0,0,0,0|0,0,3]=4 488 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [1,0,0,0,0,0|0,0,3]=4 489 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [1,0,0,0,0,0|0,0,3]=4 490 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [1,0,0,0,0,0|0,0,3]=4 491 B5R0.3 CN(C=O)C=O MCULE-7774435044 [1,0,0,0,0,0|3,0,0]=4 492 B5R0.3 CNC(=N)CO MCULE-3239749882 [1,0,0,0,0,0|1,0,2]=4 493 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,0,0,0,0,0|2,0,1]=4 494 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,0,0,0,0,0|2,0,0]=3 495 B5R0.3 COC(=O)CO MCULE-8734582763 [1,0,0,0,0,0|2,0,1]=4 496 B5R0.3 CON(C)C=O MCULE-6743121315 [1,0,0,0,0,0|3,0,0]=4 497 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [1,0,0,0,0,0|3,0,0]=4 498 B5R0.3 CS/C(=N\N)/N MCULE-2245524081 [1,0,0,0,0,0|3,0,0]=4 499 B5R0.3 CS/C(=N\N)/N MCULE-6241847719 [1,0,0,0,0,0|3,0,0]=4 500 B5R0.3 CSC(=NO)C MCULE-1500524467 [1,0,0,0,0,0|3,0,0]=4 501 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [1,0,0,0,0,0|2,0,1]=4 502 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [1,0,0,0,0,0|2,0,1]=4 503 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [1,0,0,0,0,0|2,0,1]=4 504 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [1,0,0,0,0,0|2,0,0]=3 505 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [1,0,0,0,0,0|2,0,0]=3 506 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [1,0,0,0,0,0|2,0,0]=3 507 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,0,0,0,0,0|2,0,1]=4 508 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [1,0,0,0,0,0|2,0,1]=4 509 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [1,0,0,0,0,0|2,0,1]=4 510 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [1,0,0,0,0,0|1,0,0]=2 511 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [1,0,0,0,0,0|2,0,1]=4 512 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [1,0,0,0,0,0|3,0,0]=4 513 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,0,0,0,0,0|2,0,0]=3 514 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [1,0,0,0,0,0|2,0,0]=3 515 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,0,0,0,0,0|2,0,0]=3 516 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,0,0,0,0,0|1,0,0]=2 517 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [1,0,0,0,0,0|1,0,1]=3 518 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [1,0,0,0,0,0|1,0,1]=3 519 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [1,0,0,0,0,0|1,0,1]=3 520 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,0,0,0,0,0|2,0,1]=4 521 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [1,0,0,0,0,0|1,0,0]=2 522 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [1,0,0,0,0,0|2,0,0]=3 523 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [1,0,0,0,0,0|1,0,0]=2 524 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [1,0,0,0,0,0|1,0,1]=3 525 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [1,0,0,0,0,0|3,0,0]=4 526 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [1,0,0,0,0,0|3,0,0]=4 527 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [1,0,0,0,0,0|2,0,0]=3 528 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [1,0,0,0,0,0|2,0,0]=3 529 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,0,0,0,0,0|2,0,0]=3 530 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,0,0,0,0,0|1,0,0]=2 531 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [1,0,0,0,0,0|1,0,1]=3 532 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [1,0,0,0,0,0|1,0,1]=3 533 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [1,0,0,0,0,0|1,0,1]=3 534 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [1,0,0,0,0,0|2,0,0]=3 535 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,0,0,0,0,0|2,0,1]=4 536 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,0,0,0,0,0|2,0,1]=4 537 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,0,0,0,0,0|2,0,1]=4 538 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,0,0,0,0,0|2,0,1]=4 539 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,0,0,0,0,0|1,0,1]=3 540 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,0,0,0,0,0|1,0,1]=3 541 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,0,0,0,0,0|2,0,1]=4 542 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,0,0,0,0,0|2,0,1]=4 543 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,0,0,0,0,0|3,0,0]=4 544 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,0,0,0,0,0|2,0,0]=3 545 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,0,0,0,0,0|1,0,1]=3 546 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,0,0,0,0,0|1,0,1]=3 547 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,0,0,0,0,0|1,0,1]=3 548 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,0,0,0,0,0|1,0,1]=3 549 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,0,0,0,0,0|2,0,1]=4 550 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,0,0,0,0,0|2,0,1]=4 551 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,0,0,0,0,0|2,0,1]=4 552 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,0,0,0,0,0|1,0,1]=3 553 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,0,0,0,0,0|1,0,1]=3 554 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,0,0,0,0,0|2,0,1]=4 555 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,0,0,0,0,0|2,0,1]=4 556 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,0,0,0,0,0|2,0,1]=4 557 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,0,0,0,0,0|1,0,1]=3 558 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,0,0,0,0,0|1,1,1]=4 559 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,0,0,0,0,0|2,0,1]=4 560 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,0,0,0,0,0|2,0,1]=4 561 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,0,0,0,0,0|2,0,1]=4 562 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,0,0,0,0,0|1,0,1]=3 563 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,0,0,0,0,0|1,0,1]=3 564 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,0,0,0,0,0|1,0,1]=3 565 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,0,0,0,0,0|2,0,1]=4 566 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,0,0,0,0,0|1,0,1]=3 567 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,0,0,0,0,0|1,0,1]=3 568 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,0,0,0,0,0|1,0,1]=3 569 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,0,0,0,0,0|1,0,1]=3 570 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,0,0,0,0,0|1,0,1]=3 571 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,0,0,0,0,0|1,0,1]=3 572 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,0,0,0,0,0|0,0,1]=2 573 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,0,0,0,0,0|0,0,1]=2 574 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,0,0,0,0,0|0,0,1]=2 575 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,0,0,0,0,0|0,0,1]=2 576 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,0,0,0,0,0|1,0,2]=4 577 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,0,0,0,0,0|1,0,2]=4 578 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,0,0,0,0,0|2,0,1]=4 579 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,0,0,0,0,0|2,0,1]=4 580 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,0,0,0,0,0|2,0,1]=4 581 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,0,0,0,0,0|2,0,1]=4 582 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,0,0,0,0,0|1,0,1]=3 583 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,0,0,0,0,0|1,0,1]=3 584 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,0,0,0,0,0|1,0,2]=4 585 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,0,0,0,0,0|1,0,2]=4 586 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,0,0,0,0,0|1,0,2]=4 587 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,0,0,0,0,0|2,0,1]=4 588 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,0,0,0,0,0|1,0,1]=3 589 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,0,0,0,0,0|3,0,0]=4 590 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,0,0,0,0,0|3,0,0]=4 591 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,0,0,0,0,0|2,0,0]=3 592 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,0,0,0,0,0|2,0,1]=4 593 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,0,0,0,0,0|2,0,0]=3 594 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [1,0,0,0,0,0|2,1,0]=4 595 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,0,0,0,0,0|1,0,1]=3 596 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,0,0,0,0,0|1,0,1]=3 597 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,0,0,0,0,0|2,0,1]=4 598 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,0,0,0,0,0|1,0,1]=3 599 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,0,0,0,0,0|1,0,1]=3 600 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,0,0,0,0,0|2,0,1]=4 601 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,0,0,0,0,0|1,0,1]=3 602 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,0,0,0,0,0|1,0,1]=3 603 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,0,0,0,0,0|1,0,1]=3 604 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,0,0,0,0,0|1,0,1]=3 605 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,0,0,0,0,0|0,0,1]=2 606 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,0,0,0,0,0|0,0,1]=2 607 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,0,0,0,0,0|1,0,2]=4 608 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,0,0,0,0,0|1,0,2]=4 609 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,0,0,0,0,0|1,0,2]=4 610 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,0,0,0,0,0|1,0,2]=4 611 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,0,0,0,0,0|1,0,2]=4 612 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,0,0,0,0,0|2,0,1]=4 613 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,0,0,0,0,0|2,0,1]=4 614 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,0,0,0,0,0|2,0,1]=4 615 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,0,0,0,0,0|2,0,1]=4 616 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,0,0,0,0,0|2,0,1]=4 617 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,0,0,0,0,0|2,0,1]=4 618 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,0,0,0,0,0|1,0,1]=3 619 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,0,0,0,0,0|1,0,1]=3 620 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,0,0,0,0,0|1,0,2]=4 621 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,0,0,0,0,0|1,0,2]=4 622 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,0,0,0,0,0|1,0,2]=4 623 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,0,0,0,0,0|2,0,1]=4 624 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,0,0,0,0,0|1,0,1]=3 625 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,0,0,0,0,0|1,0,1]=3 626 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,0,0,0,0,0|1,0,1]=3 627 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,0,0,0,0,0|1,0,1]=3 628 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,0,0,0,0,0|2,0,1]=4 629 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,0,0,0,0,0|1,0,1]=3 630 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,0,0,0,0,0|1,0,1]=3 631 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,0,0,0,0,0|1,0,1]=3 632 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,0,0,0,0,0|1,0,1]=3 633 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,0,0,0,0,0|1,0,1]=3 634 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,0,0,0,0,0|1,0,1]=3 635 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,0,0,0,0,0|1,0,1]=3 636 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,0,0,0,0,0|1,0,1]=3 637 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,0,0,0,0,0|0,0,1]=2 638 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,0,0,0,0,0|0,0,1]=2 639 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,0,0,0,0,0|0,0,1]=2 640 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,0,0,0,0,0|0,0,1]=2 641 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,0,0,0,0,0|1,0,2]=4 642 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,0,0,0,0,0|1,0,2]=4 643 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,0,0,0,0,0|1,0,2]=4 644 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,0,0,0,0,0|1,0,2]=4 645 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,0,0,0,0,0|1,0,2]=4 646 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,0,0,0,0,0|1,0,2]=4 647 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,0,0,0,0,0|2,0,1]=4 648 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,0,0,0,0,0|1,0,1]=3 649 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,0,0,0,0,0|1,0,1]=3 650 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,0,0,0,0,0|1,0,2]=4 651 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,0,0,0,0,0|1,0,2]=4 652 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,0,0,0,0,0|1,0,2]=4 653 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,0,0,0,0,0|1,0,2]=4 654 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,0,0,0,0,0|1,0,2]=4 655 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,0,0,0,0,0|1,0,2]=4 656 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,0,0,0,0,0|1,0,2]=4 657 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,0,0,0,0,0|1,0,2]=4 658 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,0,0,0,0,0|1,0,2]=4 659 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [1,0,0,0,0,0|2,0,0]=3 660 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [1,0,0,0,0,0|2,0,0]=3 661 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,0,0,0,0,0|1,0,0]=2 662 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [1,0,0,0,0,0|1,0,1]=3 663 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [1,0,0,0,0,0|1,0,1]=3 664 B5R0.5 NC(=S)C(=S)N MCULE-3109255800 [1,0,0,0,0,0|2,1,0]=4 665 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,0,0,0,0,0|1,0,1]=3 666 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [1,0,0,0,0,0|3,0,0]=4 667 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [1,0,0,0,0,0|3,0,0]=4 668 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [1,0,0,0,0,0|2,0,0]=3 669 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [1,0,0,0,0,0|2,0,0]=3 670 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [1,0,0,0,0,0|2,0,0]=3 671 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [1,0,0,0,0,0|2,0,0]=3 672 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [1,0,0,0,0,0|2,0,0]=3 673 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [1,0,0,0,0,0|2,0,0]=3 674 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [1,0,0,0,0,0|2,0,0]=3 675 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [1,0,0,0,0,0|2,0,0]=3 676 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [1,0,0,0,0,0|2,0,0]=3 677 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [1,0,0,0,0,0|2,0,0]=3 678 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [1,0,0,0,0,0|2,0,0]=3 679 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,0,0,0,0,0|2,0,1]=4 680 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,0,0,0,0,0|2,0,1]=4 681 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,0,0,0,0,0|2,0,1]=4 682 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,0,0,0,0,0|2,0,1]=4 683 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,0,0,0,0,0|2,0,1]=4 684 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,0,0,0,0,0|2,0,1]=4 685 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,0,0,0,0,0|2,0,1]=4 686 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,0,0,0,0,0|2,0,1]=4 687 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,0,0,0,0,0|2,0,1]=4 688 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,0,0,0,0,0|2,0,1]=4 689 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [1,0,0,0,0,0|2,0,1]=4 690 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [1,0,0,0,0,0|2,0,1]=4 691 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [1,0,0,0,0,0|2,0,1]=4 692 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [1,0,0,0,0,0|2,0,1]=4 693 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [1,0,0,0,0,0|2,0,1]=4 694 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [1,0,0,0,0,0|2,0,1]=4 695 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [1,0,0,0,0,0|2,0,1]=4 696 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [1,0,0,0,0,0|2,0,1]=4 697 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,0,0,0,0,0|2,0,1]=4 698 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,1,0,0,0,0|0,0,3]=4 699 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,1,0,0,0,0|0,0,3]=4 700 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,1,0,0,0,0|0,0,3]=4 701 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,1,0,0,0,0|0,0,3]=4 702 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,1,0,0,0,0|0,0,3]=4 703 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,1,0,0,0,0|0,0,3]=4 704 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,1,0,0,0,0|0,0,3]=4 705 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,1,0,0,0,0|0,0,3]=4 706 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,1,0,0,0,0|0,0,3]=4 707 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,1,0,0,0,0|0,0,3]=4 708 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,1,0,0,0,0|0,0,3]=4 709 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,1,0,0,0,0|0,0,3]=4 710 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,1,0,0,0,0|1,0,1]=3 711 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,1,0,0,0,0|1,0,1]=3 712 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,1,0,0,0,0|1,0,1]=3 713 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,1,0,0,0,0|1,0,2]=4 714 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [0,1,0,0,0,0|1,0,1]=3 715 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,1,0,0,0,0|1,0,2]=4 716 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,1,0,0,0,0|0,0,2]=3 717 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,1,0,0,0,0|0,0,2]=3 718 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,1,0,0,0,0|0,0,2]=3 719 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,1,0,0,0,0|0,0,2]=3 720 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,1,0,0,0,0|1,0,2]=4 721 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,1,0,0,0,0|0,0,2]=3 722 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,1,0,0,0,0|0,0,2]=3 723 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,1,0,0,0,0|0,0,2]=3 724 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,1,0,0,0,0|0,0,2]=3 725 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,1,0,0,0,0|1,0,2]=4 726 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,1,0,0,0,0|0,0,2]=3 727 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,1,0,0,0,0|0,0,2]=3 728 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,1,0,0,0,0|0,0,2]=3 729 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,1,0,0,0,0|0,0,2]=3 730 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,1,0,0,0,0|1,0,2]=4 731 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,1,0,0,0,0|1,0,2]=4 732 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,1,0,0,0,0|1,0,2]=4 733 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,1,0,0,0,0|1,0,2]=4 734 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,1,0,0,0,0|2,0,1]=4 735 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,1,0,0,0,0|1,0,0]=2 736 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,1,0,0,0,0|1,0,1]=3 737 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,1,0,0,0,0|1,0,1]=3 738 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,1,0,0,0,0|1,0,0]=2 739 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,1,0,0,0,0|1,0,0]=2 740 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,1,0,0,0,0|2,0,1]=4 741 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,1,0,0,0,0|2,0,1]=4 742 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,1,0,0,0,0|1,0,1]=3 743 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,1,0,0,0,0|1,0,2]=4 744 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,1,0,0,0,0|1,0,2]=4 745 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,1,0,0,0,0|1,0,2]=4 746 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,1,0,0,0,0|1,0,2]=4 747 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,1,0,0,0,0|1,0,2]=4 748 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,1,0,0,0,0|1,0,2]=4 749 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,1,0,0,0,0|0,0,2]=3 750 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,1,0,0,0,0|0,0,2]=3 751 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,1,0,0,0,0|0,0,2]=3 752 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,1,0,0,0,0|1,0,2]=4 753 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,1,0,0,0,0|1,0,2]=4 754 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,1,0,0,0,0|0,0,2]=3 755 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,1,0,0,0,0|0,0,2]=3 756 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,1,0,0,0,0|1,0,2]=4 757 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,1,0,0,0,0|1,0,2]=4 758 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,1,0,0,0,0|1,0,2]=4 759 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,1,0,0,0,0|1,0,2]=4 760 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,1,0,0,0,0|1,0,2]=4 761 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,1,0,0,0,0|1,0,2]=4 762 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,1,0,0,0,0|0,0,2]=3 763 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,1,0,0,0,0|0,0,2]=3 764 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,1,0,0,0,0|0,0,2]=3 765 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,1,0,0,0,0|1,0,2]=4 766 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,1,0,0,0,0|1,0,2]=4 767 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,1,0,0,0,0|1,0,1]=3 768 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,1,0,0,0,0|1,0,2]=4 769 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,1,0,0,0,0|1,0,2]=4 770 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,1,0,0,0,0|1,0,2]=4 771 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,1,0,0,0,0|2,0,1]=4 772 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,1,0,0,0,0|2,0,1]=4 773 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,1,0,0,0,0|2,0,1]=4 774 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,1,0,0,0,0|1,0,1]=3 775 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,1,0,0,0,0|1,0,2]=4 776 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,1,0,0,0,0|2,0,1]=4 777 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,1,0,0,0,0|1,0,2]=4 778 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,1,0,0,0,0|1,0,2]=4 779 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,1,0,0,0,0|1,0,2]=4 780 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,1,0,0,0,0|1,0,2]=4 781 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,1,0,0,0,0|0,0,2]=3 782 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,1,0,0,0,0|0,0,2]=3 783 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,1,0,0,0,0|0,0,2]=3 784 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,1,0,0,0,0|0,0,2]=3 785 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,1,0,0,0,0|0,0,2]=3 786 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,1,0,0,0,0|0,0,2]=3 787 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,1,0,0,0,0|1,0,2]=4 788 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,1,0,0,0,0|1,0,2]=4 789 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,1,0,0,0,0|1,0,2]=4 790 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,1,0,0,0,0|1,0,2]=4 791 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,1,0,0,0,0|1,0,2]=4 792 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,1,0,0,0,0|0,0,2]=3 793 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,1,0,0,0,0|0,0,2]=3 794 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,1,0,0,0,0|0,0,2]=3 795 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,1,0,0,0,0|0,0,2]=3 796 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,1,0,0,0,0|1,0,2]=4 797 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,1,0,0,0,0|0,0,2]=3 798 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,1,0,0,0,0|0,0,2]=3 799 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,1,0,0,0,0|0,0,2]=3 800 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,1,0,0,0,0|0,0,2]=3 801 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,1,0,0,0,0|0,0,2]=3 802 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,1,0,0,0,0|0,0,2]=3 803 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,1,0,0,0,0|0,0,2]=3 804 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,1,0,0,0,0|0,0,2]=3 805 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,1,0,0,0,0|2,0,0]=3 806 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,1,0,0,0,0|1,0,2]=4 807 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,1,0,0,0,0|0,0,2]=3 808 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,1,0,0,0,0|0,0,2]=3 809 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,1,0,0,0,0|0,0,2]=3 810 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,1,0,0,0,0|1,0,2]=4 811 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,1,0,0,0,0|2,0,1]=4 812 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,1,0,0,0,0|2,0,1]=4 813 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,1,0,0,0,0|0,0,2]=3 814 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,1,0,0,0,0|0,0,2]=3 815 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,1,0,0,0,0|0,0,2]=3 816 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,1,0,0,0,0|0,0,2]=3 817 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,1,0,0,0,0|0,0,2]=3 818 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,1,0,0,0,0|0,0,2]=3 819 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,1,0,0,0,0|0,0,3]=4 820 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,1,0,0,0,0|0,0,3]=4 821 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,1,0,0,0,0|0,0,3]=4 822 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,1,0,0,0,0|0,0,2]=3 823 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,1,0,0,0,0|0,0,2]=3 824 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,1,0,0,0,0|0,0,2]=3 825 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,1,0,0,0,0|0,0,2]=3 826 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,1,0,0,0,0|0,0,2]=3 827 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,1,0,0,0,0|0,0,2]=3 828 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,1,0,0,0,0|0,0,2]=3 829 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,1,0,0,0,0|0,0,2]=3 830 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,1,0,0,0,0|1,0,2]=4 831 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,1,0,0,0,0|1,0,2]=4 832 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,1,0,0,0,0|1,0,2]=4 833 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,1,0,0,0,0|0,0,2]=3 834 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,1,0,0,0,0|0,0,2]=3 835 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,1,0,0,0,0|0,0,2]=3 836 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,1,0,0,0,0|0,0,2]=3 837 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,1,0,0,0,0|0,0,2]=3 838 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,1,0,0,0,0|0,0,2]=3 839 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,1,0,0,0,0|0,0,2]=3 840 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,1,0,0,0,0|1,0,2]=4 841 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,1,0,0,0,0|1,0,2]=4 842 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,1,0,0,0,0|0,0,2]=3 843 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,1,0,0,0,0|0,0,2]=3 844 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,1,0,0,0,0|0,0,2]=3 845 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,1,0,0,0,0|0,0,2]=3 846 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,1,0,0,0,0|1,0,2]=4 847 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,1,0,0,0,0|0,0,2]=3 848 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,1,0,0,0,0|0,0,2]=3 849 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,1,0,0,0,0|0,0,2]=3 850 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,1,0,0,0,0|0,0,2]=3 851 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,1,0,0,0,0|0,0,2]=3 852 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,1,0,0,0,0|0,0,2]=3 853 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,1,0,0,0,0|0,0,2]=3 854 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,1,0,0,0,0|0,0,2]=3 855 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,1,0,0,0,0|0,0,2]=3 856 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,1,0,0,0,0|1,0,2]=4 857 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,1,0,0,0,0|1,0,2]=4 858 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,1,0,0,0,0|1,0,2]=4 859 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,1,0,0,0,0|0,0,2]=3 860 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,1,0,0,0,0|0,0,2]=3 861 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,1,0,0,0,0|0,0,2]=3 862 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,1,0,0,0,0|0,0,2]=3 863 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,1,0,0,0,0|0,0,2]=3 864 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,1,0,0,0,0|0,0,2]=3 865 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,1,0,0,0,0|0,0,2]=3 866 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,1,0,0,0,0|0,0,2]=3 867 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,1,0,0,0,0|1,0,2]=4 868 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,1,0,0,0,0|0,0,2]=3 869 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,1,0,0,0,0|0,0,2]=3 870 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,1,0,0,0,0|0,0,2]=3 871 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,1,0,0,0,0|0,0,2]=3 872 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,1,0,0,0,0|0,0,2]=3 873 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,1,0,0,0,0|0,0,2]=3 874 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,1,0,0,0,0|1,0,2]=4 875 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,1,0,0,0,0|1,0,2]=4 876 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,1,0,0,0,0|0,0,3]=4 877 B7R0.10 C/C(=N\O)/C(=N/O)/N MCULE-8105401552 [0,1,0,0,0,0|3,0,0]=4 878 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [0,1,0,0,0,0|1,0,0]=2 879 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [0,1,0,0,0,0|1,0,0]=2 880 B7R0.10 C=C(C#N)C(=O)OC MCULE-4928080553 [0,1,0,0,0,0|2,0,1]=4 881 B7R0.10 C=C(CBr)C(=O)OC MCULE-7991860093 [0,1,0,0,0,0|2,0,1]=4 882 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,1,0,0,0,0|1,0,1]=3 883 B7R0.10 C=C(CCl)C(=O)OC MCULE-8356509776 [0,1,0,0,0,0|2,0,1]=4 884 B7R0.10 C=C(CO)C(=O)OC MCULE-8888105984 [0,1,0,0,0,0|2,0,1]=4 885 B7R0.10 C=C(OC)C(=O)OC MCULE-3256769494 [0,1,0,0,0,0|2,0,0]=3 886 B7R0.10 C=CC(Cl)C(=O)OC MCULE-8371197919 [0,1,0,0,0,0|1,0,2]=4 887 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [0,1,0,0,0,0|0,0,2]=3 888 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [0,1,0,0,0,0|0,0,2]=3 889 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [0,1,0,0,0,0|1,0,2]=4 890 B7R0.10 CC(=NO)/C(=N/O)/N MCULE-5306915355 [0,1,0,0,0,0|3,0,0]=4 891 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [0,1,0,0,0,0|1,0,0]=2 892 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [0,1,0,0,0,0|1,0,0]=2 893 B7R0.10 CCC(=O)C(=NO)C MCULE-5669219787 [0,1,0,0,0,0|2,0,1]=4 894 B7R0.10 CCC(=O)C(=O)CC MCULE-4346857339 [0,1,0,0,0,0|2,0,1]=4 895 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,1,0,0,0,0|1,0,1]=3 896 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,1,0,0,0,0|1,0,2]=4 897 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,1,0,0,0,0|1,0,2]=4 898 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,1,0,0,0,0|1,0,2]=4 899 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,1,0,0,0,0|1,0,2]=4 900 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,1,0,0,0,0|1,0,2]=4 901 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,1,0,0,0,0|0,0,2]=3 902 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,1,0,0,0,0|0,0,2]=3 903 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,1,0,0,0,0|0,0,2]=3 904 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,1,0,0,0,0|0,0,2]=3 905 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,1,0,0,0,0|0,0,2]=3 906 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,1,0,0,0,0|1,0,2]=4 907 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,1,0,0,0,0|1,0,2]=4 908 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,1,0,0,0,0|0,0,2]=3 909 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,1,0,0,0,0|0,0,2]=3 910 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,1,0,0,0,0|0,0,2]=3 911 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,1,0,0,0,0|0,0,2]=3 912 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,1,0,0,0,0|1,0,2]=4 913 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,1,0,0,0,0|1,0,2]=4 914 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,1,0,0,0,0|1,0,2]=4 915 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,1,0,0,0,0|0,0,2]=3 916 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,1,0,0,0,0|0,0,2]=3 917 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,1,0,0,0,0|0,0,2]=3 918 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,1,0,0,0,0|0,0,2]=3 919 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,1,0,0,0,0|1,0,2]=4 920 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,1,0,0,0,0|1,0,2]=4 921 B7R0.10 CNC(=O)/C(=N/O)/N MCULE-4165941405 [0,1,0,0,0,0|3,0,0]=4 922 B7R0.10 CNC(=O)C(=NO)C MCULE-5419636892 [0,1,0,0,0,0|3,0,0]=4 923 B7R0.10 CNC(=O)C(=O)NC MCULE-5993874240 [0,1,0,0,0,0|3,0,0]=4 924 B7R0.10 CNC(=O)C(=O)OC MCULE-1771479923 [0,1,0,0,0,0|2,0,0]=3 925 B7R0.10 CNC(C)C(=O)OC MCULE-1524259113 [0,1,0,0,0,0|2,0,1]=4 926 B7R0.10 CNC(C)C(=O)OC MCULE-2414146201 [0,1,0,0,0,0|2,0,1]=4 927 B7R0.10 CNC(C)C(=O)OC MCULE-3192973771 [0,1,0,0,0,0|2,0,1]=4 928 B7R0.10 CNC(C)C(=O)OC MCULE-9929257431 [0,1,0,0,0,0|2,0,1]=4 929 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-1271745038 [0,1,0,0,0,0|2,0,1]=4 930 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-3018199319 [0,1,0,0,0,0|2,0,1]=4 931 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3420184809 [0,1,0,0,0,0|2,0,1]=4 932 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3818454089 [0,1,0,0,0,0|2,0,1]=4 933 B7R0.10 CN[C@H](C)C(=O)OC MCULE-8297775033 [0,1,0,0,0,0|2,0,1]=4 934 B7R0.10 CN[C@H](C)C(=O)OC MCULE-9637759835 [0,1,0,0,0,0|2,0,1]=4 935 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [0,1,0,0,0,0|2,0,0]=3 936 B7R0.10 COC(=O)/C(=C/Cl)/Cl MCULE-7181141754 [0,1,0,0,0,0|2,0,0]=3 937 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-5795286951 [0,1,0,0,0,0|2,0,0]=3 938 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-6102470934 [0,1,0,0,0,0|2,0,0]=3 939 B7R0.10 COC(=O)/C(=N/O)/N MCULE-6279341489 [0,1,0,0,0,0|2,0,0]=3 940 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [0,1,0,0,0,0|2,0,0]=3 941 B7R0.10 COC(=O)C(=O)CBr MCULE-7596502094 [0,1,0,0,0,0|2,0,1]=4 942 B7R0.10 COC(=O)C(=O)NN MCULE-7834741474 [0,1,0,0,0,0|3,0,0]=4 943 B7R0.10 COC(=O)C(=O)OC MCULE-5018268642 [0,1,0,0,0,0|2,0,0]=3 944 B7R0.10 COC(=O)C(Br)OC MCULE-5672396067 [0,1,0,0,0,0|2,0,1]=4 945 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,1,0,0,0,0|2,0,1]=4 946 B7R0.10 COC(=O)C(C)OC MCULE-3274761391 [0,1,0,0,0,0|2,0,1]=4 947 B7R0.10 COC(=O)C(C)SC MCULE-6914204626 [0,1,0,0,0,0|2,0,1]=4 948 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,1,0,0,0,0|2,0,1]=4 949 B7R0.10 COC(=O)C(Cl)OC MCULE-8296320773 [0,1,0,0,0,0|2,0,1]=4 950 B7R0.10 COC(=O)C(N)C#N MCULE-9016686741 [0,1,0,0,0,0|1,0,2]=4 951 B7R0.10 COC(=O)C(N)CCl MCULE-2253564316 [0,1,0,0,0,0|1,0,2]=4 952 B7R0.10 COC(=O)C(N)CCl MCULE-3851909822 [0,1,0,0,0,0|1,0,2]=4 953 B7R0.10 COC(=O)C(N)CCl MCULE-4649966066 [0,1,0,0,0,0|1,0,2]=4 954 B7R0.10 COC(=O)C(N)CCl MCULE-9193407415 [0,1,0,0,0,0|1,0,2]=4 955 B7R0.10 COC(=O)C(N)CF MCULE-2617218019 [0,1,0,0,0,0|1,0,2]=4 956 B7R0.10 COC(=O)C(N)CF MCULE-3926207531 [0,1,0,0,0,0|1,0,2]=4 957 B7R0.10 COC(=O)C(N)CN MCULE-7949926265 [0,1,0,0,0,0|1,0,2]=4 958 B7R0.10 COC(=O)C(N)CN MCULE-9215212479 [0,1,0,0,0,0|1,0,2]=4 959 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,1,0,0,0,0|1,0,2]=4 960 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,1,0,0,0,0|1,0,2]=4 961 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,1,0,0,0,0|1,0,2]=4 962 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,1,0,0,0,0|1,0,2]=4 963 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,1,0,0,0,0|1,0,2]=4 964 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,1,0,0,0,0|1,0,2]=4 965 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,1,0,0,0,0|1,0,2]=4 966 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,1,0,0,0,0|1,0,2]=4 967 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [0,1,0,0,0,0|2,0,1]=4 968 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-1649684135 [0,1,0,0,0,0|1,0,2]=4 969 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-4803192908 [0,1,0,0,0,0|1,0,2]=4 970 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-6514033613 [0,1,0,0,0,0|1,0,2]=4 971 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-7997387565 [0,1,0,0,0,0|1,0,2]=4 972 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4407014418 [0,1,0,0,0,0|1,0,2]=4 973 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4854066134 [0,1,0,0,0,0|1,0,2]=4 974 B7R0.10 COC(=O)[C@@H](N)CN MCULE-5060962890 [0,1,0,0,0,0|1,0,2]=4 975 B7R0.10 COC(=O)[C@@H](N)CN MCULE-8572432694 [0,1,0,0,0,0|1,0,2]=4 976 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,1,0,0,0,0|1,0,2]=4 977 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,1,0,0,0,0|1,0,2]=4 978 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,1,0,0,0,0|1,0,2]=4 979 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,1,0,0,0,0|1,0,2]=4 980 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,1,0,0,0,0|1,0,2]=4 981 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,1,0,0,0,0|1,0,2]=4 982 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,1,0,0,0,0|1,0,2]=4 983 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,1,0,0,0,0|1,0,2]=4 984 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,1,0,0,0,0|2,0,1]=4 985 B7R0.10 COC(=O)[C@H](C)OC MCULE-3095326114 [0,1,0,0,0,0|2,0,1]=4 986 B7R0.10 COC(=O)[C@H](N)CCl MCULE-1199425954 [0,1,0,0,0,0|1,0,2]=4 987 B7R0.10 COC(=O)[C@H](N)CCl MCULE-2611523756 [0,1,0,0,0,0|1,0,2]=4 988 B7R0.10 COC(=O)[C@H](N)CCl MCULE-6503487325 [0,1,0,0,0,0|1,0,2]=4 989 B7R0.10 COC(=O)[C@H](N)CCl MCULE-8714444412 [0,1,0,0,0,0|1,0,2]=4 990 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,1,0,0,0,0|1,0,2]=4 991 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,1,0,0,0,0|1,0,2]=4 992 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,1,0,0,0,0|1,0,2]=4 993 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,1,0,0,0,0|1,0,2]=4 994 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,1,0,0,0,0|1,0,2]=4 995 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,1,0,0,0,0|1,0,2]=4 996 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,1,0,0,0,0|1,0,2]=4 997 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,1,0,0,0,0|1,0,2]=4 998 B7R0.10 N/C(=N\O)/C(=N/O)/N MCULE-4305290462 [0,1,0,0,0,0|3,0,0]=4 999 B7R0.10 NC(CCl)C(=O)NO MCULE-8256545065 [0,1,0,0,0,0|1,0,2]=4 1000 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-1799930850 [0,1,0,0,0,0|2,0,1]=4 1001 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-5931188957 [0,1,0,0,0,0|2,0,1]=4 1002 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [0,1,0,0,0,0|1,0,2]=4 1003 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,1,0,0,0,0|1,0,2]=4 1004 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,1,0,0,0,0|0,0,2]=3 1005 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,1,0,0,0,0|1,0,2]=4 1006 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,1,0,0,0,0|1,0,2]=4 1007 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,1,0,0,0,0|1,0,2]=4 1008 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,1,0,0,0,0|1,0,2]=4 1009 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,1,0,0,0,0|1,0,2]=4 1010 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,1,0,0,0,0|1,0,2]=4 1011 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,1,0,0,0,0|1,0,2]=4 1012 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,1,0,0,0,0|0,0,2]=3 1013 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,1,0,0,0,0|0,0,2]=3 1014 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,1,0,0,0,0|0,0,2]=3 1015 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,1,0,0,0,0|1,0,2]=4 1016 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,1,0,0,0,0|1,0,2]=4 1017 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,1,0,0,0,0|1,0,2]=4 1018 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,1,0,0,0,0|0,0,2]=3 1019 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,1,0,0,0,0|0,0,2]=3 1020 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,1,0,0,0,0|0,0,2]=3 1021 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,1,0,0,0,0|0,0,2]=3 1022 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,1,0,0,0,0|0,0,2]=3 1023 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,1,0,0,0,0|0,0,2]=3 1024 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,1,0,0,0,0|0,0,2]=3 1025 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,1,0,0,0,0|0,0,2]=3 1026 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,1,0,0,0,0|1,0,2]=4 1027 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [0,1,0,0,0,0|2,0,1]=4 1028 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [0,1,0,0,0,0|2,0,1]=4 1029 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [0,1,0,0,0,0|2,0,1]=4 1030 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [0,1,0,0,0,0|2,0,1]=4 1031 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,1,0,0,0,0|1,0,2]=4 1032 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,1,0,0,0,0|1,0,2]=4 1033 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,1,0,0,0,0|1,0,2]=4 1034 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,1,0,0,0,0|1,0,2]=4 1035 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,1,0,0,0,0|1,0,2]=4 1036 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,1,0,0,0,0|1,0,2]=4 1037 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,1,0,0,0,0|1,0,2]=4 1038 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,1,0,0,0,0|1,0,2]=4 1039 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,1,0,0,0,0|1,0,2]=4 1040 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,1,0,0,0,0|1,0,2]=4 1041 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,1,0,0,0,0|1,0,2]=4 1042 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,1,0,0,0,0|1,0,2]=4 1043 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,1,0,0,0,0|1,0,2]=4 1044 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,1,0,0,0,0|2,0,1]=4 1045 B7R0.15 C/C=C(\C#N)/C(=O)O MCULE-4984827905 [0,1,0,0,0,0|0,0,1]=2 1046 B7R0.15 CC=C(C#N)C(=O)O MCULE-5255376210 [0,1,0,0,0,0|0,0,1]=2 1047 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,1,0,0,0,0|1,0,0]=2 1048 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,1,0,0,0,0|0,0,3]=4 1049 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,1,0,0,0,0|1,0,2]=4 1050 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,1,0,0,0,0|0,0,2]=3 1051 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,1,0,0,0,0|0,0,2]=3 1052 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,1,0,0,0,0|1,0,2]=4 1053 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,1,0,0,0,0|1,0,2]=4 1054 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,1,0,0,0,0|1,0,2]=4 1055 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,1,0,0,0,0|0,0,2]=3 1056 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,1,0,0,0,0|0,0,2]=3 1057 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,1,0,0,0,0|0,0,2]=3 1058 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,1,0,0,0,0|0,0,2]=3 1059 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,1,0,0,0,0|1,0,2]=4 1060 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,1,0,0,0,0|1,0,2]=4 1061 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,1,0,0,0,0|0,0,2]=3 1062 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,1,0,0,0,0|0,0,2]=3 1063 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,1,0,0,0,0|0,0,2]=3 1064 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,1,0,0,0,0|0,0,2]=3 1065 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,1,0,0,0,0|0,0,2]=3 1066 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,1,0,0,0,0|1,0,2]=4 1067 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,1,0,0,0,0|1,0,2]=4 1068 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,1,0,0,0,0|1,0,2]=4 1069 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,1,0,0,0,0|1,0,2]=4 1070 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,1,0,0,0,0|1,0,2]=4 1071 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,1,0,0,0,0|2,0,1]=4 1072 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,1,0,0,0,0|1,0,2]=4 1073 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,1,0,0,0,0|1,0,2]=4 1074 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,1,0,0,0,0|1,0,2]=4 1075 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,1,0,0,0,0|1,0,2]=4 1076 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,1,0,0,0,0|1,0,1]=3 1077 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,1,0,0,0,0|1,0,1]=3 1078 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,1,0,0,0,0|1,0,2]=4 1079 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,1,0,0,0,0|1,0,2]=4 1080 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,1,0,0,0,0|1,0,2]=4 1081 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,1,0,0,0,0|1,0,2]=4 1082 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,1,0,0,0,0|1,0,2]=4 1083 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,1,0,0,0,0|1,0,2]=4 1084 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,1,0,0,0,0|1,0,2]=4 1085 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,1,0,0,0,0|1,0,2]=4 1086 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,1,0,0,0,0|2,0,1]=4 1087 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,1,0,0,0,0|2,0,1]=4 1088 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,1,0,0,0,0|1,0,1]=3 1089 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,1,0,0,0,0|1,0,1]=3 1090 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,1,0,0,0,0|2,0,1]=4 1091 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,1,0,0,0,0|1,0,1]=3 1092 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,1,0,0,0,0|1,0,1]=3 1093 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,1,0,0,0,0|1,0,2]=4 1094 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,1,0,0,0,0|1,0,2]=4 1095 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,1,0,0,0,0|1,0,2]=4 1096 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,1,0,0,0,0|1,0,2]=4 1097 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,1,0,0,0,0|1,0,2]=4 1098 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,1,0,0,0,0|1,0,2]=4 1099 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,1,0,0,0,0|1,0,2]=4 1100 B7R0.16 C=C(C(=O)O)C(=O)O MCULE-7540749901 [0,1,0,0,0,0|2,0,0]=3 1101 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,1,0,0,0,0|1,0,1]=3 1102 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,0,0,0,0|2,0,1]=4 1103 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,0|0,0,1]=2 1104 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,0|0,0,1]=2 1105 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,0|0,0,1]=2 1106 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,0|0,0,1]=2 1107 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,0,0,0,0|1,0,1]=3 1108 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,0|0,0,1]=2 1109 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,0|0,0,1]=2 1110 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,0|0,0,1]=2 1111 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,0|0,0,1]=2 1112 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,0,0|1,0,0]=2 1113 B7R0.16 CC(=C(C)B(O)O)C MCULE-7596549970 [0,1,0,0,0,0|2,0,1]=4 1114 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,0,0|1,0,0]=2 1115 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,0,0|1,0,0]=2 1116 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,0,0|1,0,0]=2 1117 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,0,0|1,0,0]=2 1118 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-1358390281 [0,1,0,0,0,0|2,0,0]=3 1119 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-6098819264 [0,1,0,0,0,0|2,0,0]=3 1120 B7R0.16 CC(=O)C(=O)C(C)Br MCULE-8153095418 [0,1,0,0,0,0|2,0,1]=4 1121 B7R0.16 CC(=O)C(=O)N(C)C MCULE-9467983911 [0,1,0,0,0,0|3,0,0]=4 1122 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,0,0|2,0,1]=4 1123 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,0,0|2,0,1]=4 1124 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,0,0|2,0,1]=4 1125 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,0,0|2,0,1]=4 1126 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,0,0|1,0,1]=3 1127 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,0,0|1,0,1]=3 1128 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,1,0,0,0,0|3,0,0]=4 1129 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,0,0|1,0,2]=4 1130 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,0,0|1,0,2]=4 1131 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,0,0|2,0,1]=4 1132 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,0,0|2,0,1]=4 1133 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,0,0|2,0,1]=4 1134 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,0,0|2,0,1]=4 1135 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [0,1,0,0,0,0|2,0,1]=4 1136 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,0,0,0,0|1,0,1]=3 1137 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [0,1,0,0,0,0|1,0,2]=4 1138 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,0,0|1,0,2]=4 1139 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,0,0|1,0,2]=4 1140 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,0,0|1,0,2]=4 1141 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,0,0|1,0,2]=4 1142 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,0,0|1,0,2]=4 1143 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,0,0,0,0|1,0,2]=4 1144 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,0,0,0,0|1,0,2]=4 1145 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,0,0|0,0,2]=3 1146 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,0,0|0,0,2]=3 1147 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,0,0|1,0,2]=4 1148 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,0,0|1,0,2]=4 1149 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,0,0|1,0,2]=4 1150 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,0,0|1,0,2]=4 1151 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,0,0,0,0|1,0,2]=4 1152 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,0,0,0,0|1,0,2]=4 1153 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,0,0,0,0|1,0,2]=4 1154 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,0,0,0,0|1,0,2]=4 1155 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,0,0|0,0,2]=3 1156 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,0,0|0,0,2]=3 1157 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,0,0|1,0,2]=4 1158 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,0,0|1,0,2]=4 1159 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,0,0|1,0,2]=4 1160 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,0,0|1,0,2]=4 1161 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,0,0|1,0,2]=4 1162 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,0,0|1,0,2]=4 1163 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,0,0|1,0,2]=4 1164 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,0,0|1,0,2]=4 1165 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,0,0,0,0|1,0,2]=4 1166 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,0,0,0,0|1,0,2]=4 1167 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,0,0,0,0|1,0,2]=4 1168 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,0,0,0,0|1,0,2]=4 1169 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,0,0,0,0|1,0,2]=4 1170 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,0,0,0,0|1,0,2]=4 1171 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,0,0|0,0,2]=3 1172 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,0,0|0,0,2]=3 1173 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,0,0|1,0,2]=4 1174 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,0,0|1,0,2]=4 1175 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,0,0|0,0,2]=3 1176 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,0,0|1,0,2]=4 1177 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,0,0|1,0,2]=4 1178 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,0,0|1,0,2]=4 1179 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,0,0|1,0,2]=4 1180 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,0,0|1,0,2]=4 1181 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,0,0,0,0|1,0,2]=4 1182 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,0,0,0,0|1,0,2]=4 1183 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,0,0|0,0,2]=3 1184 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,0,0|0,0,2]=3 1185 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [0,1,0,0,0,0|2,0,0]=3 1186 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,0,0|2,0,1]=4 1187 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,0,0|2,0,1]=4 1188 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,0,0|2,0,1]=4 1189 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,0,0|0,0,2]=3 1190 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,0,0|0,0,2]=3 1191 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,0,0|0,0,2]=3 1192 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,0,0|0,0,2]=3 1193 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,0,0|0,0,2]=3 1194 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,0,0,0,0|1,0,2]=4 1195 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,0,0,0,0|1,0,2]=4 1196 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,0,0,0,0|1,0,2]=4 1197 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,0,0,0,0|1,0,2]=4 1198 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,0,0,0,0|1,0,2]=4 1199 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,0,0,0,0|1,0,2]=4 1200 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,0,0|0,0,2]=3 1201 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,0,0|0,0,2]=3 1202 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,0,0|0,0,2]=3 1203 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,0,0|0,0,2]=3 1204 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,0,0|0,0,2]=3 1205 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,0,0|1,0,2]=4 1206 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,0,0|2,0,1]=4 1207 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,0,0|2,0,1]=4 1208 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,0,0|1,0,2]=4 1209 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,0,0|1,0,2]=4 1210 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,0,0|1,0,2]=4 1211 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,0,0|0,0,2]=3 1212 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,0,0|1,0,2]=4 1213 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,0,0|1,0,2]=4 1214 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,0,0|0,0,2]=3 1215 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,0,0|0,0,2]=3 1216 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,0,0|0,0,2]=3 1217 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,0,0|0,0,2]=3 1218 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,0,0|0,0,2]=3 1219 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,0,0|0,0,2]=3 1220 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,0,0|0,0,2]=3 1221 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,1,0,0,0,0|2,0,1]=4 1222 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,0|1,0,1]=3 1223 B7R0.16 O=C(Cl)C(=C(Cl)Cl)Cl MCULE-8279367474 [0,1,0,0,0,0|3,0,0]=4 1224 B7R0.16 O=C(O)C(=C(Cl)Cl)Cl MCULE-4004262160 [0,1,0,0,0,0|2,0,0]=3 1225 B7R0.16 O=C(O)C(=O)C(=O)O MCULE-9031084199 [0,1,0,0,0,0|2,0,0]=3 1226 B7R0.16 O=C(O)C(=O)C(Br)Br MCULE-6847251467 [0,1,0,0,0,0|2,0,1]=4 1227 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,0,0|2,0,1]=4 1228 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,0,0|2,0,1]=4 1229 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,0,0|2,0,1]=4 1230 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-3642448111 [0,1,0,0,0,0|2,0,1]=4 1231 B7R0.16 O=C([O-])C(=O)C(=O)[O-] MCULE-7835235837 [0,1,0,0,0,0|2,0,1]=4 1232 B7R1.4 BrC1=C(OC=C1)Br MCULE-7426166356 [0,0,0,1,0,0|2,0,1]=4 1233 B7R1.4 BrC1=C(OC=C1)I MCULE-5137662121 [0,0,0,1,0,0|2,0,1]=4 1234 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,0,0,1,0,0|1,0,2]=4 1235 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,0,0,1,0,0|1,0,2]=4 1236 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,0,0,1,0,0|2,0,1]=4 1237 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,0,0,1,0,0|1,0,1]=3 1238 B7R1.4 CC1=C(C=CO1)Br MCULE-5272760073 [0,0,0,1,0,0|2,0,1]=4 1239 B7R1.4 CC1=C(C=CO1)N MCULE-8304976100 [0,0,0,1,0,0|1,0,1]=3 1240 B7R1.4 CC1=C(C=CO1)S MCULE-3331659980 [0,0,0,1,0,0|2,0,1]=4 1241 B7R1.4 CC1=C(C=CO1)S MCULE-8172133853 [0,0,0,1,0,0|2,0,1]=4 1242 B7R1.4 CC1=C(C=CS1)N MCULE-4152889855 [0,0,0,1,0,0|1,1,1]=4 1243 B7R1.4 CC1=C(C=CS1)N MCULE-4377439924 [0,0,0,1,0,0|1,1,1]=4 1244 B7R1.4 CC1=C(C=NO1)Br MCULE-3480380556 [0,0,0,1,0,0|3,0,0]=4 1245 B7R1.4 CC1=C(C=NO1)I MCULE-1012314205 [0,0,0,1,0,0|3,0,0]=4 1246 B7R1.4 CC1=C(C=NO1)N MCULE-4982899453 [0,0,0,1,0,0|2,0,0]=3 1247 B7R1.4 CC1=C(C=NO1)N MCULE-8792251798 [0,0,0,1,0,0|2,0,0]=3 1248 B7R1.4 CC1=C(OC=C1)Br MCULE-4484142471 [0,0,0,1,0,0|2,0,1]=4 1249 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [0,0,0,1,0,0|2,0,1]=4 1250 B7R1.4 CC1=C(ON=C1)C MCULE-2037233742 [0,0,0,1,0,0|3,0,0]=4 1251 B7R1.4 CC1=C(ON=C1)N MCULE-1189999644 [0,0,0,1,0,0|3,0,0]=4 1252 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,0,0,1,0,0|2,0,0]=3 1253 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,0,0,1,0,0|1,0,0]=2 1254 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,0,0,1,0,0|3,0,0]=4 1255 B7R1.4 CC1=CSC=C1N MCULE-2229858743 [0,0,0,1,0,0|3,0,0]=4 1256 B7R1.4 CC1=CSC=C1N MCULE-9678851280 [0,0,0,1,0,0|3,0,0]=4 1257 B7R1.4 CC1=CSC=C1N MCULE-9850701502 [0,0,0,1,0,0|3,0,0]=4 1258 B7R1.4 CC1=NNC=C1N MCULE-2511920915 [0,0,0,1,0,0|3,0,0]=4 1259 B7R1.4 CC1=NNC=C1N MCULE-5966078729 [0,0,0,1,0,0|3,0,0]=4 1260 B7R1.4 CC1=NNC=C1N MCULE-6524486526 [0,0,0,1,0,0|3,0,0]=4 1261 B7R1.4 CC1=NOC=C1N MCULE-4953481155 [0,0,0,1,0,0|3,0,0]=4 1262 B7R1.4 CC1=NOC=C1N MCULE-7158422089 [0,0,0,1,0,0|3,0,0]=4 1263 B7R1.4 CC1=NSC=C1N MCULE-1714579639 [0,0,0,1,0,0|3,0,0]=4 1264 B7R1.4 CC1=NSC=C1N MCULE-8952603976 [0,0,0,1,0,0|3,0,0]=4 1265 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,0,0,1,0,0|1,0,2]=4 1266 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,0,0,1,0,0|2,0,1]=4 1267 B7R1.4 NC1=C(NN=C1)N MCULE-5202717352 [0,0,0,1,0,0|3,0,0]=4 1268 B7R1.4 NC1=C(SC=C1)Br MCULE-5177518644 [0,0,0,1,0,0|1,1,1]=4 1269 B7R1.4 NC1=C(SC=C1)Br MCULE-9842294434 [0,0,0,1,0,0|1,1,1]=4 1270 B7R1.4 NC1=C(SC=C1)Cl MCULE-3109484453 [0,0,0,1,0,0|1,1,1]=4 1271 B7R1.4 NC1=C(SC=C1)Cl MCULE-4898124373 [0,0,0,1,0,0|1,1,1]=4 1272 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,0,0,1,0,0|0,0,0]=1 1273 B7R1.4 NC1=CNN=C1Br MCULE-1534811592 [0,0,0,1,0,0|3,0,0]=4 1274 B7R1.4 NC1=CNN=C1Br MCULE-2065721519 [0,0,0,1,0,0|3,0,0]=4 1275 B7R1.4 NC1=CNN=C1Cl MCULE-2273143071 [0,0,0,1,0,0|3,0,0]=4 1276 B7R1.4 NC1=CNN=C1Cl MCULE-7990573623 [0,0,0,1,0,0|3,0,0]=4 1277 B7R1.4 NC1=CNN=C1F MCULE-6813885079 [0,0,0,1,0,0|3,0,0]=4 1278 B7R1.4 NC1=CNN=C1N MCULE-1287724099 [0,0,0,1,0,0|3,0,0]=4 1279 B7R1.4 NC1=CNN=C1N MCULE-2267689782 [0,0,0,1,0,0|3,0,0]=4 1280 B7R1.4 NC1=CNN=C1N MCULE-4410982657 [0,0,0,1,0,0|3,0,0]=4 1281 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,0,0,1,0,0|2,0,0]=3 1282 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,0,0,1,0,0|2,0,0]=3 1283 B7R1.4 NC1=CSC=C1Br MCULE-2426699535 [0,0,0,1,0,0|3,0,0]=4 1284 B7R1.4 NC1=CSC=C1Br MCULE-7977776847 [0,0,0,1,0,0|3,0,0]=4 1285 B7R1.4 NC1=CSC=C1Cl MCULE-9354005382 [0,0,0,1,0,0|3,0,0]=4 1286 B7R1.4 NC1=CSC=C1Cl MCULE-9597525150 [0,0,0,1,0,0|3,0,0]=4 1287 B7R1.4 NC1=CSC=C1N MCULE-3102958778 [0,0,0,1,0,0|3,0,0]=4 1288 B7R1.4 NC1=CSC=C1N MCULE-8039905444 [0,0,0,1,0,0|3,0,0]=4 1289 B7R1.4 NC1=CSC=C1N MCULE-9684053669 [0,0,0,1,0,0|3,0,0]=4 1290 B7R1.4 NC1=NON=C1O MCULE-6904763946 [0,0,0,1,0,0|3,0,0]=4 1291 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,0,0,1,0,0|1,0,2]=4 1292 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,0,0,1,0,0|1,0,2]=4 1293 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,0,0,1,0,0|1,0,2]=4 1294 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,0,0,1,0,0|1,0,2]=4 1295 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,0,0,1,0,0|0,0,2]=3 1296 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,0,0,1,0,0|0,0,2]=3 1297 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,0,0,1,0,0|0,0,2]=3 1298 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,0,0,1,0,0|0,0,2]=3 1299 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,0,0,1,0,0|0,0,2]=3 1300 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,0,0,1,0,0|0,0,2]=3 1301 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,0,0,1,0,0|0,1,2]=4 1302 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,0,0,1,0,0|0,1,2]=4 1303 B7R1.4 NN1C=NNC1=O MCULE-1613661520 [0,0,0,1,0,0|3,0,0]=4 1304 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,0,0,1,0,0|2,0,1]=4 1305 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,0,0,1,0,0|2,0,1]=4 1306 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,0,0,1,0,0|2,0,1]=4 1307 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,0,0,1,0,0|1,0,1]=3 1308 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,0,0,1,0,0|1,0,1]=3 1309 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,0,0,1,0,0|1,0,2]=4 1310 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,0,0,1,0,0|1,0,2]=4 1311 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,0,0,1,0,0|1,0,2]=4 1312 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,0,0,1,0,0|1,0,2]=4 1313 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,0,0,1,0,0|0,0,2]=3 1314 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,0,0,1,0,0|0,0,2]=3 1315 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,0,0,1,0,0|0,0,2]=3 1316 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,0,0,1,0,0|0,0,2]=3 1317 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,0,0,1,0,0|0,1,2]=4 1318 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,0,0,1,0,0|0,1,2]=4 1319 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,0,0,1,0,0|0,1,2]=4 1320 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,0,0,1,0,0|0,1,2]=4 1321 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,0,0,1,0,0|1,0,2]=4 1322 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,0,0,1,0,0|1,0,2]=4 1323 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,0,0,1,0,0|1,0,2]=4 1324 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,0,0,1,0,0|1,0,2]=4 1325 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,0,0,1,0,0|0,0,2]=3 1326 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,0,0,1,0,0|0,0,2]=3 1327 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,0,0,1,0,0|0,0,2]=3 1328 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,0,0,1,0,0|0,0,2]=3 1329 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,0,0,1,0,0|0,0,2]=3 1330 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,0,0,1,0,0|0,1,2]=4 1331 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,0,0,1,0,0|0,1,2]=4 1332 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,0,0,1,0,0|0,1,2]=4 1333 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,0,0,1,0,0|0,1,2]=4 1334 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,0,0,1,0,0|2,0,0]=3 1335 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,0,0,1,0,0|2,0,0]=3 1336 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,0,0,1,0,0|2,0,0]=3 1337 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,0,0,1,0,0|2,0,1]=4 1338 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,0,0,1,0,0|2,0,1]=4 1339 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,0,0,1,0,0|1,0,0]=2 1340 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,0,0,1,0,0|1,0,2]=4 1341 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,0,0,1,0,0|1,0,2]=4 1342 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,0,0,1,0,0|1,0,2]=4 1343 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,0,0,1,0,0|1,0,2]=4 1344 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,0,0,1,0,0|1,0,2]=4 1345 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,0,0,1,0,0|1,0,2]=4 1346 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,0,0,1,0,0|1,0,2]=4 1347 B7R1.4 OC1=CSC=C1O MCULE-7694152673 [0,0,0,1,0,0|3,0,0]=4 1348 B7R1.4 OC1=NOC=C1Br MCULE-1436145132 [0,0,0,1,0,0|3,0,0]=4 1349 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,0,0,1,0,0|2,0,1]=4 1350 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,0,0,1,0,0|0,0,3]=4 1351 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,0|1,0,2]=4 1352 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,0|1,0,1]=3 1353 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,0|1,0,2]=4 1354 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,0|1,0,2]=4 1355 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,0|1,0,2]=4 1356 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,0|1,0,2]=4 1357 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,0|1,0,2]=4 1358 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,0|1,0,2]=4 1359 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,0|1,0,2]=4 1360 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,0|1,0,2]=4 1361 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,0|1,0,2]=4 1362 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,0|1,0,2]=4 1363 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,0|1,0,2]=4 1364 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,0,0,1,0,0|1,0,2]=4 1365 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,0,0,1,0,0|1,0,2]=4 1366 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,0,0,1,0,0|1,0,2]=4 1367 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,0,0,1,0,0|1,0,2]=4 1368 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,0,0,1,0,0|3,0,0]=4 1369 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,0,0,1,0,0|3,0,0]=4 1370 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,0,0,1,0,0|0,0,2]=3 1371 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,0,0,1,0,0|1,0,2]=4 1372 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,0,0,1,0,0|1,0,2]=4 1373 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,0,0,1,0,0|1,0,2]=4 1374 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,0,0,1,0,0|1,0,0]=2 1375 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,0,0,1,0,0|1,0,2]=4 1376 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,0,0,1,0,0|0,0,2]=3 1377 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,0,0,1,0,0|0,0,2]=3 1378 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,0,0,1,0,0|0,0,2]=3 1379 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,0,0,1,0,0|1,0,2]=4 1380 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,0,0,1,0,0|1,0,2]=4 1381 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,0,0,1,0,0|0,0,2]=3 1382 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,0,0,1,0,0|0,0,2]=3 1383 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,0,0,1,0,0|0,0,2]=3 1384 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,0,0,1,0,0|0,0,2]=3 1385 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,0,0,1,0,0|1,0,2]=4 1386 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,0,0,1,0,0|1,0,2]=4 1387 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,0,0,1,0,0|0,0,2]=3 1388 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,0,0,1,0,0|0,0,2]=3 1389 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,0,0,1,0,0|0,0,2]=3 1390 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,0,0,1,0,0|0,0,2]=3 1391 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,0,0,1,0,0|1,0,2]=4 1392 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,0,0,1,0,0|1,0,2]=4 1393 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,0,0,1,0,0|1,0,2]=4 1394 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,0,0,1,0,0|1,0,2]=4 1395 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,0,0,1,0,0|1,0,2]=4 1396 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,0,0,1,0,0|2,0,1]=4 1397 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,0,0,1,0,0|1,0,2]=4 1398 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,0,0,1,0,0|1,0,2]=4 1399 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,0,0,1,0,0|1,0,2]=4 1400 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,0,0,1,0,0|1,0,2]=4 1401 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,0,0,1,0,0|0,0,2]=3 1402 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,0,0,1,0,0|0,0,2]=3 1403 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,0,0,1,0,0|1,0,2]=4 1404 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,0,0,1,0,0|1,0,2]=4 1405 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,0,0,1,0,0|1,0,2]=4 1406 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,0,0,1,0,0|1,0,2]=4 1407 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,0,0,1,0,0|1,0,2]=4 1408 B7R0.2 C/N=C(\N)/N=C(N)N MCULE-5422737043 [0,0,0,0,0,1|3,0,0]=4 1409 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,0,0,0,0,1|2,0,1]=4 1410 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,0,0,0,0,1|1,0,2]=4 1411 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,0,0,0,0,1|0,0,2]=3 1412 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,0,0,0,0,1|0,0,2]=3 1413 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,0,0,0,0,1|1,0,2]=4 1414 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,0,0,0,0,1|2,0,0]=3 1415 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,0,0,0,0,1|1,0,1]=3 1416 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,0,0,0,0,1|2,0,1]=4 1417 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,0,0,0,0,1|1,0,1]=3 1418 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,0,0,0,0,1|2,0,1]=4 1419 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,0,0,0,0,1|1,0,2]=4 1420 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,0,0,0,0,1|1,0,2]=4 1421 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,0,0,0,0,1|0,0,2]=3 1422 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,0,0,0,0,1|0,0,2]=3 1423 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,0,0,0,0,1|1,0,2]=4 1424 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,0,0,0,0,1|2,0,1]=4 1425 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,0,0,0,0,1|2,0,1]=4 1426 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,0,0,0,0,1|1,0,2]=4 1427 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,0,0,0,0,1|1,0,2]=4 1428 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,0,0,0,0,1|0,0,2]=3 1429 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,0,0,0,0,1|0,0,2]=3 1430 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,0,0,0,0,1|0,0,2]=3 1431 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,0,0,0,0,1|0,0,2]=3 1432 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,0,0,0,0,1|1,0,2]=4 1433 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,0,0,0,0,1|1,0,2]=4 1434 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,0,0,0,0,1|0,0,2]=3 1435 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,0,0,0,0,1|0,0,2]=3 1436 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,0,0,0,0,1|0,0,2]=3 1437 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,0,0,0,0,1|0,0,2]=3 1438 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,0,0,0,0,1|3,0,0]=4 1439 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,0,0,0,0,1|3,0,0]=4 1440 B7R0.2 CNC(=C[N+](=O)[O-])N MCULE-4229797824 [0,0,0,0,0,1|2,0,1]=4 1441 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,0,0,0,0,1|3,0,0]=4 1442 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,0,0,0,0,1|2,0,0]=3 1443 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,0,0,0,0,1|3,0,0]=4 1444 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,0,0,0,0,1|3,0,0]=4 1445 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,0,0,0,0,1|2,0,1]=4 1446 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,0,0,0,0,1|2,0,1]=4 1447 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,0,0,0,0,1|2,0,0]=3 1448 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,0,0,0,0,1|3,0,0]=4 1449 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,0,0,0,0,1|2,0,0]=3 1450 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,0,0,0,0,1|3,0,0]=4 1451 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,0,0,0,0,1|3,0,0]=4 1452 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,0,0,0,0,1|3,0,0]=4 1453 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,0,0,0,0,1|2,0,0]=3 1454 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,0,0,0,0,1|2,0,1]=4 1455 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,0,0,0,0,1|2,0,1]=4 1456 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,0,0,0,0,1|2,0,1]=4 1457 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,0,0,0,0,1|2,0,0]=3 1458 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [0,0,0,0,0,1|3,0,0]=4 1459 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,0,0,0,0,1|1,0,2]=4 1460 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,0,0,0,0,1|1,0,2]=4 1461 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,0,0,0,0,1|1,0,2]=4 1462 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,0,0,0,0,1|1,0,2]=4 1463 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,0,0,0,0,1|1,0,2]=4 1464 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,0,0,0,0,1|1,0,2]=4 1465 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,0,0,0,0,1|1,0,2]=4 1466 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,0,0,0,0,1|1,0,2]=4 1467 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,0,0,0,0,1|1,0,2]=4 1468 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,0,0,0,0,1|1,0,2]=4 1469 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,0,0,0,0,1|1,0,2]=4 1470 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,0,0,0,0,1|1,0,2]=4 1471 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,0,0,0,0,1|1,0,2]=4 1472 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,0,0,0,0,1|2,0,1]=4 1473 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,0,0,0,0,1|2,0,1]=4 1474 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,0,0,0,0,1|3,0,0]=4 1475 B4R0.1 C#CC(=O)N MCULE-1832868146 [2,0,0,0,0,0|0,0,2]=4 1476 B4R0.1 C#CC(=O)O MCULE-8764256624 [2,0,0,0,0,0|0,0,2]=4 1477 B4R0.1 C(C)(N)CO MCULE-5844242932 [2,0,0,0,0,0|0,0,2]=4 1478 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [2,0,0,0,0,0|1,0,0]=3 1479 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [2,0,0,0,0,0|1,0,0]=3 1480 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [2,0,0,0,0,0|1,0,1]=4 1481 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [2,0,0,0,0,0|1,0,1]=4 1482 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [2,0,0,0,0,0|1,0,1]=4 1483 B4R0.1 C=C(Br)C=O MCULE-9500973388 [2,0,0,0,0,0|1,0,0]=3 1484 B4R0.1 C=C(Br)CC MCULE-6271946451 [2,0,0,0,0,0|1,0,1]=4 1485 B4R0.1 C=C(Br)CO MCULE-7763893047 [2,0,0,0,0,0|1,0,1]=4 1486 B4R0.1 C=C(C)C=O MCULE-3758355501 [2,0,0,0,0,0|1,0,0]=3 1487 B4R0.1 C=C(C)CO MCULE-8641288398 [2,0,0,0,0,0|1,0,1]=4 1488 B4R0.1 C=C(C)OC MCULE-7344104255 [2,0,0,0,0,0|2,0,0]=4 1489 B4R0.1 C=C(Cl)CO MCULE-8813337564 [2,0,0,0,0,0|1,0,1]=4 1490 B4R0.1 C=C(F)CO MCULE-2779963696 [2,0,0,0,0,0|1,0,1]=4 1491 B4R0.1 C=C(I)CO MCULE-2533897125 [2,0,0,0,0,0|1,0,1]=4 1492 B4R0.1 C=CB(O)O MCULE-2531600001 [2,0,0,0,0,0|1,0,1]=4 1493 B4R0.1 C=CC(=C)C MCULE-1668999564 [2,0,0,0,0,0|1,0,1]=4 1494 B4R0.1 C=CC(=O)C MCULE-4924646293 [2,0,0,0,0,0|1,0,0]=3 1495 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [2,0,0,0,0,0|1,0,0]=3 1496 B4R0.1 C=CC(=O)N MCULE-4309430654 [2,0,0,0,0,0|0,0,1]=3 1497 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|0,0,0]=2 1498 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [2,0,0,0,0,0|0,0,1]=3 1499 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [2,0,0,0,0,0|0,0,1]=3 1500 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [2,0,0,0,0,0|0,0,1]=3 1501 B4R0.1 C=CC(C)N MCULE-5748048106 [2,0,0,0,0,0|1,0,1]=4 1502 B4R0.1 C=CC(C)N MCULE-6786590923 [2,0,0,0,0,0|1,0,1]=4 1503 B4R0.1 C=CC(C)O MCULE-4525368256 [2,0,0,0,0,0|1,0,1]=4 1504 B4R0.1 C=CN(=O)=O MCULE-1988475489 [2,0,0,0,0,0|1,0,1]=4 1505 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [2,0,0,0,0,0|1,0,1]=4 1506 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [2,0,0,0,0,0|1,0,1]=4 1507 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [2,0,0,0,0,0|1,0,1]=4 1508 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [2,0,0,0,0,0|1,0,1]=4 1509 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [2,0,0,0,0,0|1,0,1]=4 1510 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [2,0,0,0,0,0|1,0,1]=4 1511 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [2,0,0,0,0,0|1,0,1]=4 1512 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [2,0,0,0,0,0|1,0,1]=4 1513 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [2,0,0,0,0,0|1,0,1]=4 1514 B4R0.1 CC(=CBr)C MCULE-9508381610 [2,0,0,0,0,0|2,0,0]=4 1515 B4R0.1 CC(=CCl)C MCULE-4321554138 [2,0,0,0,0,0|2,0,0]=4 1516 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [2,0,0,0,0,0|2,0,0]=4 1517 B4R0.1 CC(=NO)C MCULE-3243100216 [2,0,0,0,0,0|2,0,0]=4 1518 B4R0.1 CC(=O)C=O MCULE-2718961814 [2,0,0,0,0,0|1,0,0]=3 1519 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|1,0,1]=4 1520 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|1,0,1]=4 1521 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|1,0,1]=4 1522 B4R0.1 CC(=O)NN MCULE-9183467120 [2,0,0,0,0,0|2,0,0]=4 1523 B4R0.1 CC(=O)NO MCULE-2682231025 [2,0,0,0,0,0|2,0,0]=4 1524 B4R0.1 CC(=O)OO MCULE-6028338742 [2,0,0,0,0,0|2,0,0]=4 1525 B4R0.1 CC(Br)C=O MCULE-6060704330 [2,0,0,0,0,0|1,0,1]=4 1526 B4R0.1 CC(C)C=O MCULE-3575731904 [2,0,0,0,0,0|1,0,1]=4 1527 B4R0.1 CC(N)C=O MCULE-3421118418 [2,0,0,0,0,0|0,0,1]=3 1528 B4R0.1 CC(N)CO MCULE-1361379423 [2,0,0,0,0,0|0,0,2]=4 1529 B4R0.1 CC(N)CO MCULE-2098440985 [2,0,0,0,0,0|0,0,2]=4 1530 B4R0.1 CC=C(C)Br MCULE-1371905211 [2,0,0,0,0,0|1,0,1]=4 1531 B4R0.1 CC=C(C)C MCULE-4230157245 [2,0,0,0,0,0|1,0,1]=4 1532 B4R0.1 CC=C(C)Cl MCULE-3844314543 [2,0,0,0,0,0|1,0,1]=4 1533 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [2,0,0,0,0,0|2,0,0]=4 1534 B4R0.1 CC=C(F)F MCULE-5544510852 [2,0,0,0,0,0|2,0,0]=4 1535 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|1,0,1]=4 1536 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|1,0,1]=4 1537 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,1]=4 1538 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|1,0,1]=4 1539 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,1]=4 1540 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,1]=4 1541 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|0,0,1]=3 1542 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|0,0,1]=3 1543 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|0,0,1]=3 1544 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|0,1,1]=4 1545 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|0,0,2]=4 1546 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|0,1,1]=4 1547 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,1]=4 1548 B4R0.1 CN(C)C=O MCULE-6290117712 [2,0,0,0,0,0|2,0,0]=4 1549 B4R0.1 CN(N)C=O MCULE-6353057165 [2,0,0,0,0,0|1,0,0]=3 1550 B4R0.1 CNC(=N)N MCULE-1074994749 [2,0,0,0,0,0|2,0,0]=4 1551 B4R0.1 CNC(=N)N MCULE-6149731862 [2,0,0,0,0,0|2,0,0]=4 1552 B4R0.1 CNC(=N)N MCULE-7667364021 [2,0,0,0,0,0|2,0,0]=4 1553 B4R0.1 CNC(=N)N MCULE-7854448694 [2,0,0,0,0,0|2,0,0]=4 1554 B4R0.1 CNC(=O)C MCULE-2612997941 [2,0,0,0,0,0|2,0,0]=4 1555 B4R0.1 CNC(=O)Cl MCULE-7743744606 [2,0,0,0,0,0|2,0,0]=4 1556 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|1,0,0]=3 1557 B4R0.1 CNC(=S)N MCULE-7103250725 [2,0,0,0,0,0|1,1,0]=4 1558 B4R0.1 COC(=N)N MCULE-1611076737 [2,0,0,0,0,0|2,0,0]=4 1559 B4R0.1 COC(=N)N MCULE-4923904579 [2,0,0,0,0,0|2,0,0]=4 1560 B4R0.1 COC(=N)N MCULE-6696789855 [2,0,0,0,0,0|2,0,0]=4 1561 B4R0.1 COC(=N)N MCULE-9171600210 [2,0,0,0,0,0|2,0,0]=4 1562 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|2,0,0]=4 1563 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|2,0,0]=4 1564 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|1,0,0]=3 1565 B4R0.1 COC(=S)N MCULE-9414558443 [2,0,0,0,0,0|1,1,0]=4 1566 B4R0.1 CSC(=N)N MCULE-1471368384 [2,0,0,0,0,0|2,0,0]=4 1567 B4R0.1 CSC(=N)N MCULE-3394284504 [2,0,0,0,0,0|2,0,0]=4 1568 B4R0.1 CSC(=N)N MCULE-3752198299 [2,0,0,0,0,0|2,0,0]=4 1569 B4R0.1 CSC(=N)N MCULE-5672446896 [2,0,0,0,0,0|2,0,0]=4 1570 B4R0.1 CSC(=N)N MCULE-8409992127 [2,0,0,0,0,0|2,0,0]=4 1571 B4R0.1 CSC(=O)C MCULE-7061634598 [2,0,0,0,0,0|2,0,0]=4 1572 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [2,0,0,0,0,0|0,0,2]=4 1573 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [2,0,0,0,0,0|0,0,2]=4 1574 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [2,0,0,0,0,0|1,0,1]=4 1575 B4R0.1 C[C@H](N)CO MCULE-2471107013 [2,0,0,0,0,0|0,0,2]=4 1576 B4R0.1 C[C@H](N)CO MCULE-5424195678 [2,0,0,0,0,0|0,0,2]=4 1577 B4R0.1 N=C(N)CO MCULE-5146395919 [2,0,0,0,0,0|1,0,1]=4 1578 B4R0.1 N=C(N)CO MCULE-8814507460 [2,0,0,0,0,0|1,0,1]=4 1579 B4R0.1 N=C(N)NO MCULE-2554837832 [2,0,0,0,0,0|2,0,0]=4 1580 B4R0.1 N=C(N)NO MCULE-5458374815 [2,0,0,0,0,0|2,0,0]=4 1581 B4R0.1 N=C(N)NO MCULE-5913043834 [2,0,0,0,0,0|2,0,0]=4 1582 B4R0.1 NC(=NO)N MCULE-7650923271 [2,0,0,0,0,0|2,0,0]=4 1583 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|1,0,1]=4 1584 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|1,0,1]=4 1585 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|1,0,1]=4 1586 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|1,0,1]=4 1587 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|1,0,1]=4 1588 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|1,0,1]=4 1589 B4R0.1 NC(=O)NO MCULE-9465284053 [2,0,0,0,0,0|2,0,0]=4 1590 B4R0.1 NC(=S)CO MCULE-9301705313 [2,0,0,0,0,0|1,0,1]=4 1591 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|1,0,1]=4 1592 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|1,0,1]=4 1593 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|1,0,1]=4 1594 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|0,0,1]=3 1595 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|0,0,1]=3 1596 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|0,0,1]=3 1597 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|0,0,1]=3 1598 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|0,0,1]=3 1599 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|0,1,1]=4 1600 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|0,0,2]=4 1601 B4R0.1 NNC(=O)N MCULE-3392559370 [2,0,0,0,0,0|2,0,0]=4 1602 B4R0.1 NNC(=O)N MCULE-8490374775 [2,0,0,0,0,0|2,0,0]=4 1603 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|1,0,1]=4 1604 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|1,0,1]=4 1605 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|1,0,1]=4 1606 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|1,0,1]=4 1607 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|1,0,1]=4 1608 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|1,0,1]=4 1609 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|1,0,0]=3 1610 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|1,0,1]=4 1611 B4R0.2 C#CC=CC MCULE-9741359131 [2,0,0,0,0,0|1,0,1]=4 1612 B4R0.2 C/C=C/C#N MCULE-2754343103 [2,0,0,0,0,0|1,0,1]=4 1613 B4R0.2 C/C=C/C=O MCULE-9924705308 [2,0,0,0,0,0|0,0,0]=2 1614 B4R0.2 C/C=C/CCl MCULE-9977493525 [2,0,0,0,0,0|1,0,1]=4 1615 B4R0.2 C/C=C/CO MCULE-2383161163 [2,0,0,0,0,0|0,0,1]=3 1616 B4R0.2 C/C=C/OC MCULE-3906920304 [2,0,0,0,0,0|2,0,0]=4 1617 B4R0.2 C/C=C\CO MCULE-5924662327 [2,0,0,0,0,0|0,0,1]=3 1618 B4R0.2 C=CC=CC MCULE-4452516287 [2,0,0,0,0,0|1,0,0]=3 1619 B4R0.2 C=CNC=O MCULE-8403928899 [2,0,0,0,0,0|1,0,1]=4 1620 B4R0.2 CC#CC=O MCULE-9270622693 [2,0,0,0,0,0|0,0,2]=4 1621 B4R0.2 CC=CC#N MCULE-5062019142 [2,0,0,0,0,0|1,0,1]=4 1622 B4R0.2 CC=CC=O MCULE-2497362981 [2,0,0,0,0,0|0,0,0]=2 1623 B4R0.2 CC=CCBr MCULE-7855581866 [2,0,0,0,0,0|1,0,1]=4 1624 B4R0.2 CC=CCC MCULE-5931905453 [2,0,0,0,0,0|1,0,1]=4 1625 B4R0.2 CC=CCCl MCULE-3941962217 [2,0,0,0,0,0|1,0,1]=4 1626 B4R0.2 CC=CCO MCULE-7490725844 [2,0,0,0,0,0|0,0,1]=3 1627 B4R0.2 CC=COC MCULE-6712403535 [2,0,0,0,0,0|2,0,0]=4 1628 B4R0.2 CC=CSC MCULE-5921906156 [2,0,0,0,0,0|2,0,0]=4 1629 B4R0.2 CCC=CBr MCULE-4471551501 [2,0,0,0,0,0|1,0,1]=4 1630 B4R0.2 CCC=NO MCULE-9457280654 [2,0,0,0,0,0|1,0,1]=4 1631 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|0,0,2]=4 1632 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|1,0,1]=4 1633 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|1,0,1]=4 1634 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|1,0,1]=4 1635 B4R0.2 N/C=C/C=O MCULE-2444951625 [2,0,0,0,0,0|1,0,0]=3 1636 B4R0.2 NC=CC=O MCULE-4070918342 [2,0,0,0,0,0|1,0,0]=3 1637 B4R0.2 O=CNC=O MCULE-3098379420 [2,0,0,0,0,0|2,0,0]=4 1638 B4R0.2 O=COC=O MCULE-6311384332 [2,0,0,0,0,0|2,0,0]=4 1639 B4R0.2 O=C[N-]C=O MCULE-4923470284 [2,0,0,0,0,0|2,0,0]=4 1640 B4R0.2 OC=CCCl MCULE-4750991393 [2,0,0,0,0,0|1,0,1]=4 1641 B4R0.2 OCC=CBr MCULE-4636104289 [2,0,0,0,0,0|1,0,1]=4 1642 B4R0.2 OCC=CCl MCULE-2110127594 [2,0,0,0,0,0|1,0,1]=4 1643 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [1,1,0,0,0,0|1,0,0]=3 1644 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,1,0,0,0,0|0,0,0]=2 1645 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [1,1,0,0,0,0|0,0,2]=4 1646 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,1,0,0,0,0|0,0,2]=4 1647 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [1,1,0,0,0,0|0,0,2]=4 1648 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [1,1,0,0,0,0|1,0,1]=4 1649 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [1,1,0,0,0,0|1,0,0]=3 1650 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,1,0,0,0,0|0,0,0]=2 1651 B6R0.1 CC=C[C@@H](N)CO MCULE-4690559736 [1,1,0,0,0,0|1,0,1]=4 1652 B6R0.1 CC=C[C@@H](N)CO MCULE-5852475953 [1,1,0,0,0,0|1,0,1]=4 1653 B6R0.1 CC=C[C@H](N)CO MCULE-6168992245 [1,1,0,0,0,0|1,0,1]=4 1654 B6R0.1 CC=C[C@H](N)CO MCULE-6971252398 [1,1,0,0,0,0|1,0,1]=4 1655 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [1,1,0,0,0,0|1,0,1]=4 1656 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|0,0,2]=4 1657 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|0,0,2]=4 1658 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|0,0,2]=4 1659 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,1,0,0,0,0|1,0,1]=4 1660 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,1,0,0,0,0|1,0,1]=4 1661 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,1,0,0,0,0|1,0,1]=4 1662 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,1,0,0,0,0|1,0,1]=4 1663 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,1,0,0,0,0|1,0,1]=4 1664 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,1,0,0,0,0|1,0,1]=4 1665 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,1,0,0,0,0|1,0,1]=4 1666 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,1,0,0,0,0|1,0,1]=4 1667 B6R0.1 CNNC(=O)OC MCULE-4763095719 [1,1,0,0,0,0|2,0,0]=4 1668 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [1,1,0,0,0,0|1,0,0]=3 1669 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [1,1,0,0,0,0|1,0,0]=3 1670 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [1,1,0,0,0,0|1,0,0]=3 1671 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [1,1,0,0,0,0|1,0,0]=3 1672 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [1,1,0,0,0,0|1,0,0]=3 1673 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [1,1,0,0,0,0|1,0,0]=3 1674 B6R0.1 COC(=O)C=CI MCULE-1616048599 [1,1,0,0,0,0|1,0,0]=3 1675 B6R0.1 COC(=O)C=CN MCULE-4685220707 [1,1,0,0,0,0|1,0,0]=3 1676 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,1,0,0,0,0|1,0,1]=4 1677 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,1,0,0,0,0|1,0,1]=4 1678 B6R0.1 COC(=O)NC=O MCULE-9852632340 [1,1,0,0,0,0|2,0,0]=4 1679 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,1,0,0,0,0|1,0,1]=4 1680 B6R0.1 CONC(=O)OC MCULE-9304532248 [1,1,0,0,0,0|2,0,0]=4 1681 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [1,1,0,0,0,0|2,0,0]=4 1682 B6R0.2 C/C(=C\C(=S)N)/N MCULE-9311101194 [1,1,0,0,0,0|1,1,0]=4 1683 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [1,1,0,0,0,0|2,0,0]=4 1684 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [1,1,0,0,0,0|1,0,1]=4 1685 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,1,0,0,0,0|0,0,1]=3 1686 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [1,1,0,0,0,0|2,0,0]=4 1687 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,1,0,0,0,0|0,0,2]=4 1688 B6R0.2 CC(=CB(O)O)C MCULE-5305023524 [1,1,0,0,0,0|1,0,1]=4 1689 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [1,1,0,0,0,0|1,0,0]=3 1690 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [1,1,0,0,0,0|1,0,0]=3 1691 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [1,1,0,0,0,0|0,0,0]=2 1692 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [1,1,0,0,0,0|0,0,0]=2 1693 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [1,1,0,0,0,0|0,0,0]=2 1694 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [1,1,0,0,0,0|0,0,0]=2 1695 B6R0.2 CC(=CC(=S)N)N MCULE-2731073832 [1,1,0,0,0,0|1,1,0]=4 1696 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [1,1,0,0,0,0|1,0,1]=4 1697 B6R0.2 CC(=CN(=O)=O)C MCULE-7745125648 [1,1,0,0,0,0|1,0,1]=4 1698 B6R0.2 CC(=C[N+](=O)[O-])[O-] MCULE-1079281493 [1,1,0,0,0,0|1,0,1]=4 1699 B6R0.2 CC(=C[N+](=O)[O-])[O-] MCULE-4355961794 [1,1,0,0,0,0|1,0,1]=4 1700 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [1,1,0,0,0,0|1,0,1]=4 1701 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [1,1,0,0,0,0|1,0,0]=3 1702 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [1,1,0,0,0,0|1,0,0]=3 1703 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [1,1,0,0,0,0|1,0,0]=3 1704 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [1,1,0,0,0,0|1,0,0]=3 1705 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [1,1,0,0,0,0|1,0,0]=3 1706 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [1,1,0,0,0,0|1,0,0]=3 1707 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [1,1,0,0,0,0|1,0,0]=3 1708 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [1,1,0,0,0,0|1,0,0]=3 1709 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,1,0,0,0,0|1,0,1]=4 1710 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,1,0,0,0,0|1,0,1]=4 1711 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,1,0,0,0,0|0,0,1]=3 1712 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [1,1,0,0,0,0|0,0,2]=4 1713 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [1,1,0,0,0,0|0,0,2]=4 1714 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [1,1,0,0,0,0|2,0,0]=4 1715 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [1,1,0,0,0,0|2,0,0]=4 1716 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [1,1,0,0,0,0|2,0,0]=4 1717 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [1,1,0,0,0,0|2,0,0]=4 1718 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [1,1,0,0,0,0|1,0,1]=4 1719 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [1,1,0,0,0,0|1,0,1]=4 1720 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,1,0,0,0,0|0,0,2]=4 1721 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,1,0,0,0,0|0,0,2]=4 1722 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,1,0,0,0,0|0,0,2]=4 1723 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,1,0,0,0,0|0,0,2]=4 1724 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,1,0,0,0,0|0,0,2]=4 1725 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,1,0,0,0,0|0,0,2]=4 1726 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,1,0,0,0,0|0,0,2]=4 1727 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,1,0,0,0,0|0,0,2]=4 1728 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,1,0,0,0,0|0,0,2]=4 1729 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,1,0,0,0,0|0,0,2]=4 1730 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [1,1,0,0,0,0|1,0,1]=4 1731 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [1,1,0,0,0,0|1,0,1]=4 1732 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,1,0,0,0,0|0,0,2]=4 1733 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,1,0,0,0,0|0,0,2]=4 1734 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,1,0,0,0,0|0,0,2]=4 1735 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,1,0,0,0,0|0,0,2]=4 1736 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,1,0,0,0,0|0,0,2]=4 1737 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,1,0,0,0,0|0,0,2]=4 1738 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,1,0,0,0,0|0,0,2]=4 1739 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,1,0,0,0,0|0,0,2]=4 1740 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,1,0,0,0,0|0,0,2]=4 1741 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,1,0,0,0,0|0,0,2]=4 1742 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,1,0,0,0,0|0,0,2]=4 1743 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,1,0,0,0,0|0,0,2]=4 1744 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,1,0,0,0,0|0,0,2]=4 1745 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,1,0,0,0,0|0,0,2]=4 1746 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,1,0,0,0,0|1,0,1]=4 1747 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [1,1,0,0,0,0|1,0,0]=3 1748 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [1,1,0,0,0,0|1,0,0]=3 1749 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [1,1,0,0,0,0|1,0,1]=4 1750 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,1,0,0,0,0|1,0,0]=3 1751 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,1,0,0,0,0|1,0,0]=3 1752 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,1,0,0,0,0|0,0,0]=2 1753 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [1,1,0,0,0,0|2,0,0]=4 1754 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [1,1,0,0,0,0|0,0,1]=3 1755 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,1,0,0,0,0|0,0,2]=4 1756 B6R0.4 C=CC=CC(=O)Cl MCULE-6383997047 [1,1,0,0,0,0|1,0,1]=4 1757 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [1,1,0,0,0,0|0,0,1]=3 1758 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,1,0,0,0,0|0,0,2]=4 1759 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,1,0,0,0,0|0,0,2]=4 1760 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,1,0,0,0,0|0,0,2]=4 1761 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [1,1,0,0,0,0|2,0,0]=4 1762 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [1,1,0,0,0,0|2,0,0]=4 1763 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,1,0,0,0,0|1,0,0]=3 1764 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,1,0,0,0,0|0,0,0]=2 1765 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,1,0,0,0,0|0,0,0]=2 1766 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [1,1,0,0,0,0|2,0,0]=4 1767 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,1,0,0,0,0|0,0,2]=4 1768 B6R0.4 CCC=CB(O)O MCULE-6166989227 [1,1,0,0,0,0|1,0,1]=4 1769 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,1,0,0,0,0|1,0,0]=3 1770 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,1,0,0,0,0|1,0,0]=3 1771 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,1,0,0,0,0|0,0,0]=2 1772 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,1,0,0,0,0|0,0,2]=4 1773 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,1,0,0,0,0|0,0,2]=4 1774 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,1,0,0,0,0|0,0,2]=4 1775 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,1,0,0,0,0|0,0,2]=4 1776 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,1,0,0,0,0|0,0,2]=4 1777 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,1,0,0,0,0|0,0,2]=4 1778 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,1,0,0,0,0|0,0,2]=4 1779 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,1,0,0,0,0|1,0,0]=3 1780 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,1,0,0,0,0|0,0,0]=2 1781 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,1,0,0,0,0|1,0,0]=3 1782 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [1,1,0,0,0,0|1,0,0]=3 1783 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,1,0,0,0,0|0,0,0]=2 1784 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,1,0,0,0,0|0,0,2]=4 1785 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,1,0,0,0,0|1,0,0]=3 1786 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,1,0,0,0,0|0,0,2]=4 1787 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,1,0,0,0,0|1,0,1]=4 1788 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [1,1,0,0,0,0|0,0,1]=3 1789 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,1,0,0,0,0|0,0,0]=2 1790 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,1,0,0,0,0|0,0,2]=4 1791 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,1,0,0,0,0|0,0,0]=2 1792 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,1,0,0,0,0|0,0,0]=2 1793 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,1,0,0,0,0|0,0,2]=4 1794 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,1,0,0,0,0|0,0,2]=4 1795 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,1,0,0,0,0|0,0,0]=2 1796 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,1,0,0,0,0|0,0,0]=2 1797 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,1,0,0,0,0|0,0,0]=2 1798 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,1,0,0,0,0|0,0,2]=4 1799 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,1,0,0,0,0|0,0,2]=4 1800 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,1,0,0,0,0|0,0,2]=4 1801 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,1,0,0,0,0|0,0,0]=2 1802 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,1,0,0,0,0|0,0,0]=2 1803 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,1,0,0,0,0|0,0,0]=2 1804 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,1,0,0,0,0|0,0,2]=4 1805 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,1,0,0,0,0|0,0,2]=4 1806 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,1,0,0,0,0|0,0,2]=4 1807 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,1,0,0,0,0|0,0,2]=4 1808 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,1,0,0,0,0|0,0,2]=4 1809 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,1,0,0,0,0|1,0,1]=4 1810 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,1,0,0,0,0|1,0,1]=4 1811 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,1,0,0,0,0|1,0,1]=4 1812 B6R0.4 OB(O)/C=C/CCl MCULE-9221515028 [1,1,0,0,0,0|1,0,1]=4 1813 B6R0.4 OB(O)C=CCCl MCULE-3662189757 [1,1,0,0,0,0|1,0,1]=4 1814 B6R0.5 C/C=C\P(=O)(O)O MCULE-8382984782 [1,1,0,0,0,0|1,0,0]=3 1815 B6R0.5 CC=CP(=O)(O)O MCULE-3593796042 [1,1,0,0,0,0|1,0,0]=3 1816 B6R0.5 CC=CS(=O)(=O)Cl MCULE-2808966547 [1,1,0,0,0,0|1,0,1]=4 1817 B6R0.9 C/C=C(/C=O)\CC MCULE-4811305564 [1,1,0,0,0,0|1,0,0]=3 1818 B6R0.9 C/N=C(/CO)\NC MCULE-6025664069 [1,1,0,0,0,0|1,0,1]=4 1819 B6R0.9 CC=C(C=O)CC MCULE-3354209980 [1,1,0,0,0,0|1,0,0]=3 1820 B6R0.9 CCC(=CO)CC MCULE-4973169590 [1,1,0,0,0,0|1,0,1]=4 1821 B6R0.9 CCC(=CO)CC MCULE-8459100577 [1,1,0,0,0,0|1,0,1]=4 1822 B6R0.9 N#CC(=CN)C=O MCULE-8372425513 [1,1,0,0,0,0|1,0,1]=4 1823 B6R0.7 C=C(C)P(=O)(O)O MCULE-4023318169 [1,1,0,0,0,0|2,0,0]=4 1824 B6R0.7 CC(=O)C(C)(C)N MCULE-8236547032 [1,1,0,0,0,0|1,0,1]=4 1825 B6R0.7 CC(=O)C(C)(C)N MCULE-9736681939 [1,1,0,0,0,0|1,0,1]=4 1826 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [1,1,0,0,0,0|1,0,1]=4 1827 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [1,1,0,0,0,0|1,0,1]=4 1828 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [1,1,0,0,0,0|1,0,1]=4 1829 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [1,1,0,0,0,0|1,0,1]=4 1830 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [1,1,0,0,0,0|1,0,1]=4 1831 B6R0.7 CC(C)(N)C(=O)Cl MCULE-1303488979 [1,1,0,0,0,0|1,0,1]=4 1832 B6R0.7 CC(C)(N)C(=O)N MCULE-4893991321 [1,1,0,0,0,0|1,0,1]=4 1833 B6R0.7 CC(C)(N)C(=O)N MCULE-7819904882 [1,1,0,0,0,0|1,0,1]=4 1834 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [1,1,0,0,0,0|0,0,1]=3 1835 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [1,1,0,0,0,0|0,0,1]=3 1836 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [1,1,0,0,0,0|1,0,1]=4 1837 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [1,1,0,0,0,0|1,0,1]=4 1838 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [1,1,0,0,0,0|1,0,1]=4 1839 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [1,1,0,0,0,0|1,0,1]=4 1840 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [1,1,0,0,0,0|1,0,1]=4 1841 B6R0.7 CC(N)P(=O)(O)O MCULE-6335375089 [1,1,0,0,0,0|1,0,1]=4 1842 B6R0.7 C[C@@H](N)P(=O)(O)O MCULE-6555656905 [1,1,0,0,0,0|1,0,1]=4 1843 B6R0.7 C[C@H](N)P(=O)(O)O MCULE-8139992515 [1,1,0,0,0,0|1,0,1]=4 1844 B6R0.7 N=C(N)S(=O)(=O)O MCULE-9630791590 [1,1,0,0,0,0|2,0,0]=4 1845 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,1,0,0,0,1|1,0,1]=4 1846 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,1,0,0,0,1|2,0,0]=4 1847 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,1,0,0,0,1|2,0,0]=4 1848 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,1,0,0,0,1|2,0,0]=4 1849 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,1,0,0,0,1|2,0,0]=4 1850 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,1,0,0,0,1|2,0,0]=4 1851 B8R0.2 O=C/C(=C(/Br)\C(=O)O)/Br MCULE-4235787323 [0,1,0,0,0,1|2,0,0]=4 1852 B8R0.2 O=C/C(=C(/Cl)\C(=O)O)/Cl MCULE-5383258560 [0,1,0,0,0,1|2,0,0]=4 1853 B8R0.2 O=C/C(=C(\Cl)/C(=O)O)/Cl MCULE-2800807401 [0,1,0,0,0,1|2,0,0]=4 1854 B8R0.2 O=CC(=C(Br)C(=O)O)Br MCULE-6159934056 [0,1,0,0,0,1|2,0,0]=4 1855 B8R0.2 O=CC(=C(Cl)C(=O)O)Cl MCULE-1478625845 [0,1,0,0,0,1|2,0,0]=4 1856 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,1,0,0,0,1|1,0,1]=4 1857 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,1,0,0,0,1|1,0,1]=4 1858 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,1,0,0,0,1|0,0,2]=4 1859 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,1,0,0,0,1|0,0,2]=4 1860 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,1,0,0,0,1|0,0,2]=4 1861 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,1,0,0,0,1|0,0,2]=4 1862 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,1,0,0,0,1|0,0,2]=4 1863 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,1,0,0,0,1|0,0,2]=4 1864 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,1,0,0,0,1|0,0,2]=4 1865 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,1,0,0,0,1|0,0,2]=4 1866 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,1,0,0,0,1|0,0,2]=4 1867 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,1,0,0,0,1|0,0,2]=4 1868 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,1,0,0,0,1|0,0,2]=4 1869 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,1,0,0,0,1|0,0,2]=4 1870 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,1,0,0,0,1|1,0,1]=4 1871 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,1,0,0,0,1|1,0,1]=4 1872 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,1,0,0,0,1|1,0,1]=4 1873 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,1,0,0,0,1|1,0,1]=4 1874 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,1,0,0,0,1|0,0,2]=4 1875 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,1,0,0,0,1|0,0,2]=4 1876 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,1,0,0,0,1|0,0,2]=4 1877 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,1,0,0,0,1|0,0,2]=4 1878 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,1,0,0,0,1|0,0,2]=4 1879 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,1,0,0,0,1|0,0,2]=4 1880 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,1,0,0,0,1|0,0,2]=4 1881 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,1,0,0,0,1|0,0,2]=4 1882 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,1,0,0,0,1|0,0,2]=4 1883 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,1,0,0,0,1|1,0,1]=4 1884 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [0,1,0,0,0,1|0,0,1]=3 1885 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [0,1,0,0,0,1|0,0,1]=3 1886 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,1,0,0,0,1|1,0,1]=4 1887 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [0,1,0,0,0,1|1,0,1]=4 1888 B8R0.16 CCC(=CC(=O)O)CC MCULE-1347248467 [0,1,0,0,0,1|1,0,1]=4 1889 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,1,0,0,0,1|1,0,1]=4 1890 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,1,0,0,0,1|1,0,1]=4 1891 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,1,0,0,0,1|1,0,1]=4 1892 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,1,0,0,0,1|0,0,2]=4 1893 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,1,0,0,0,1|0,0,2]=4 1894 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,1,0,0,0,1|0,0,2]=4 1895 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,1,0,0,0,1|0,0,2]=4 1896 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,1,0,0,0,1|0,0,2]=4 1897 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,1,0,0,0,1|0,0,2]=4 1898 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,1,0,0,0,1|0,0,2]=4 1899 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,1,0,0,0,1|0,0,2]=4 1900 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,1,0,0,0,1|0,0,2]=4 1901 B8R0.19 CN/C(=C/C(=O)OC)/C MCULE-6748104823 [0,1,0,0,0,1|2,0,0]=4 1902 B8R0.19 CN/C(=C\C(=O)OC)/C MCULE-6583518879 [0,1,0,0,0,1|2,0,0]=4 1903 B8R0.19 CNC(=CC(=O)OC)C MCULE-1607524183 [0,1,0,0,0,1|2,0,0]=4 1904 B8R0.19 COC(=N)CC(=O)OC MCULE-2416316391 [0,1,0,0,0,1|1,0,1]=4 1905 B8R0.19 COC(=N)CC(=O)OC MCULE-9193442551 [0,1,0,0,0,1|1,0,1]=4 1906 B8R0.19 COC(=O)/C=C(\C)/OC MCULE-8813923973 [0,1,0,0,0,1|2,0,0]=4 1907 B8R0.19 COC(=O)C=C(C)C=O MCULE-8776671343 [0,1,0,0,0,1|2,0,0]=4 1908 B8R0.19 COC(=O)C=C(C)OC MCULE-1610055087 [0,1,0,0,0,1|2,0,0]=4 1909 B8R0.19 COC(=O)C=C(N)CF MCULE-6823347436 [0,1,0,0,0,1|1,0,1]=4 1910 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,1,0,0,0,1|2,0,0]=4 1911 B8R0.19 COC(=O)OC(=O)OC MCULE-4144943626 [0,1,0,0,0,1|2,0,0]=4 1912 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,1,0,0,0,1|0,0,2]=4 1913 B8R0.23 C(=C(Br)C(=O)O)C(=O)O MCULE-1343964958 [0,1,0,0,0,1|2,0,0]=4 1914 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,1,0,0,0,1|2,0,0]=4 1915 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,1,0,0,0,1|2,0,0]=4 1916 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,1|0,0,1]=3 1917 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,1|1,0,1]=4 1918 B8R0.23 C=C(CC(=O)O)C(=O)O MCULE-5221256796 [0,1,0,0,0,1|2,0,0]=4 1919 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,1,0,0,0,1|2,0,0]=4 1920 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [0,1,0,0,0,1|1,0,1]=4 1921 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,1|1,0,1]=4 1922 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,1|0,0,1]=3 1923 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,1|2,0,0]=4 1924 B8R0.23 CC(C)C(=CC(=O)N)N MCULE-8136000309 [0,1,0,0,0,1|1,0,1]=4 1925 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,1,0,0,0,1|1,0,1]=4 1926 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,1|0,0,2]=4 1927 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,1|0,0,2]=4 1928 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,1|0,0,2]=4 1929 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,1|0,0,2]=4 1930 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,1|0,0,2]=4 1931 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,1|0,0,2]=4 1932 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,1|0,0,2]=4 1933 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,1|0,0,2]=4 1934 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,1|0,0,2]=4 1935 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,1|0,0,2]=4 1936 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,1|0,0,2]=4 1937 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,1|0,0,2]=4 1938 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,1|0,0,2]=4 1939 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,1|0,0,2]=4 1940 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,1,0,0,0,1|2,0,0]=4 1941 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,1|0,0,2]=4 1942 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,1|0,0,2]=4 1943 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,1|0,0,2]=4 1944 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,1|0,0,2]=4 1945 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,1|0,0,2]=4 1946 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,1|0,0,2]=4 1947 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,1|0,0,2]=4 1948 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,1|1,0,1]=4 1949 B8R0.23 NC(=O)C=C(N)C(=O)N MCULE-1435081726 [0,1,0,0,0,1|2,0,0]=4 1950 B8R0.23 NC(=O)N(N)CC(=O)O MCULE-2553509411 [0,1,0,0,0,1|2,0,0]=4 1951 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,1|1,0,1]=4 1952 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,1|1,0,1]=4 1953 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,1|1,0,1]=4 1954 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,1|1,0,1]=4 1955 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,1|1,0,1]=4 1956 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,1|1,0,1]=4 1957 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,1|1,0,1]=4 1958 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,1|1,0,1]=4 1959 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,1|1,0,1]=4 1960 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,1|1,0,1]=4 1961 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,1|1,0,1]=4 1962 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,1|1,0,1]=4 1963 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,1|1,0,1]=4 1964 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,1|1,0,1]=4 1965 B8R0.23 O=C(O)/C=C(\F)/C(=O)O MCULE-5646698704 [0,1,0,0,0,1|2,0,0]=4 1966 B8R0.23 O=C(O)C=C(F)C(=O)O MCULE-9862154394 [0,1,0,0,0,1|2,0,0]=4 1967 B8R0.23 O=C(O)C=C(I)C(=O)O MCULE-3104454041 [0,1,0,0,0,1|2,0,0]=4 1968 B8R0.23 O=C(O)CC(=C(Cl)Cl)Cl MCULE-1048319494 [0,1,0,0,0,1|2,0,0]=4 1969 B8R0.23 O=C(O)CC(=O)C(=O)O MCULE-6059222019 [0,1,0,0,0,1|2,0,0]=4 1970 B8R0.23 OC(=O)CN(C(=O)N)N MCULE-5081763144 [0,1,0,0,0,1|2,0,0]=4 1971 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,1|1,0,1]=4 1972 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,1,0,0,0,1|0,0,2]=4 1973 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,1,0,0,0,1|0,0,2]=4 1974 B8R0.3 C/C=C(\C)/C(=O)OCC MCULE-1104279471 [0,2,0,0,0,0|1,0,0]=3 1975 B8R0.3 C=C(CC)C(=O)OCC MCULE-9081813283 [0,2,0,0,0,0|1,0,1]=4 1976 B8R0.3 C=C(COC)C(=O)OC MCULE-7593559443 [0,2,0,0,0,0|1,0,1]=4 1977 B8R0.3 C=CC(=O)C(=O)OCC MCULE-1301231078 [0,2,0,0,0,0|1,0,1]=4 1978 B8R0.3 C=CCC(N)C(=O)OC MCULE-1390503391 [0,2,0,0,0,0|0,0,2]=4 1979 B8R0.3 C=CCC(N)C(=O)OC MCULE-6527008669 [0,2,0,0,0,0|0,0,2]=4 1980 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1188632168 [0,2,0,0,0,0|0,0,2]=4 1981 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1561172370 [0,2,0,0,0,0|0,0,2]=4 1982 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-1592773442 [0,2,0,0,0,0|0,0,2]=4 1983 B8R0.3 C=CC[C@@H](N)C(=O)OC MCULE-2928833845 [0,2,0,0,0,0|0,0,2]=4 1984 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-1184647267 [0,2,0,0,0,0|0,0,2]=4 1985 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-6782970786 [0,2,0,0,0,0|0,0,2]=4 1986 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-7213365607 [0,2,0,0,0,0|0,0,2]=4 1987 B8R0.3 C=CC[C@H](N)C(=O)OC MCULE-9811834405 [0,2,0,0,0,0|0,0,2]=4 1988 B8R0.3 CC=C(C)C(=O)OCC MCULE-1202888826 [0,2,0,0,0,0|1,0,0]=3 1989 B8R0.3 CCC=C(C)C(=O)OC MCULE-1695208139 [0,2,0,0,0,0|1,0,0]=3 1990 B8R0.3 CCCC(=O)C(=O)OC MCULE-5789275467 [0,2,0,0,0,0|1,0,1]=4 1991 B8R0.3 CCCC(N)C(=O)NO MCULE-2069838283 [0,2,0,0,0,0|0,0,2]=4 1992 B8R0.3 CCCC(N)C(=O)OC MCULE-1453218994 [0,2,0,0,0,0|0,0,2]=4 1993 B8R0.3 CCCC(N)C(=O)OC MCULE-4171872835 [0,2,0,0,0,0|0,0,2]=4 1994 B8R0.3 CCCC(N)C(=O)OC MCULE-4324009425 [0,2,0,0,0,0|0,0,2]=4 1995 B8R0.3 CCCC(N)C(=O)OC MCULE-9533158990 [0,2,0,0,0,0|0,0,2]=4 1996 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-1310673609 [0,2,0,0,0,0|0,0,2]=4 1997 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5850698619 [0,2,0,0,0,0|0,0,2]=4 1998 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-5854286766 [0,2,0,0,0,0|0,0,2]=4 1999 B8R0.3 CCC[C@@H](N)C(=O)OC MCULE-9793822862 [0,2,0,0,0,0|0,0,2]=4 2000 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-2009036281 [0,2,0,0,0,0|0,0,2]=4 2001 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5609199650 [0,2,0,0,0,0|0,0,2]=4 2002 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-5628439347 [0,2,0,0,0,0|0,0,2]=4 2003 B8R0.3 CCC[C@H](N)C(=O)OC MCULE-8724830592 [0,2,0,0,0,0|0,0,2]=4 2004 B8R0.3 CCOC(=O)/C(=C/O)/Cl MCULE-5353637265 [0,2,0,0,0,0|2,0,0]=4 2005 B8R0.3 CCOC(=O)/C(=C/[O-])/Cl MCULE-1667116837 [0,2,0,0,0,0|2,0,0]=4 2006 B8R0.3 CCOC(=O)/C(=N/N)/N MCULE-2189725258 [0,2,0,0,0,0|2,0,0]=4 2007 B8R0.3 CCOC(=O)/C(=N\O)/N MCULE-1558189438 [0,2,0,0,0,0|2,0,0]=4 2008 B8R0.3 CCOC(=O)C(=N)SC MCULE-1399563180 [0,2,0,0,0,0|1,0,1]=4 2009 B8R0.3 CCOC(=O)C(=NC)Cl MCULE-1326218878 [0,2,0,0,0,0|2,0,0]=4 2010 B8R0.3 CCOC(=O)C(=O)CC MCULE-6268795804 [0,2,0,0,0,0|1,0,1]=4 2011 B8R0.3 CCOC(=O)C(=O)NC MCULE-7000353340 [0,2,0,0,0,0|2,0,0]=4 2012 B8R0.3 CCOC(=O)C(N)CC MCULE-1078770122 [0,2,0,0,0,0|0,0,2]=4 2013 B8R0.3 CCOC(=O)C(N)CC MCULE-4005480919 [0,2,0,0,0,0|0,0,2]=4 2014 B8R0.3 CCOC(=O)C(N)CC MCULE-7008098270 [0,2,0,0,0,0|0,0,2]=4 2015 B8R0.3 CCOC(=O)C(N)CC MCULE-9698514597 [0,2,0,0,0,0|0,0,2]=4 2016 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-3295720196 [0,2,0,0,0,0|0,0,2]=4 2017 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-3974992068 [0,2,0,0,0,0|0,0,2]=4 2018 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-6812206052 [0,2,0,0,0,0|0,0,2]=4 2019 B8R0.3 CCOC(=O)[C@@H](N)CC MCULE-7278573962 [0,2,0,0,0,0|0,0,2]=4 2020 B8R0.3 CCOC(=O)[C@H](N)CC MCULE-6501312525 [0,2,0,0,0,0|0,0,2]=4 2021 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-6377659413 [0,2,0,0,0,0|0,0,2]=4 2022 B8R0.3 CNC[C@H](N)C(=O)OC MCULE-9611469994 [0,2,0,0,0,0|0,0,2]=4 2023 B8R0.3 CO/C=C(\I)/C(=O)OC MCULE-2050459356 [0,2,0,0,0,0|1,0,0]=3 2024 B8R0.3 CO/N=C(\Cl)/C(=O)OC MCULE-8885098005 [0,2,0,0,0,0|2,0,0]=4 2025 B8R0.3 COC(=O)C(=CCCl)C MCULE-4648119495 [0,2,0,0,0,0|1,0,0]=3 2026 B8R0.3 COC(=O)C(=CCO)C MCULE-7930614060 [0,2,0,0,0,0|1,0,0]=3 2027 B8R0.3 COC(=O)C(N)CCBr MCULE-5668145888 [0,2,0,0,0,0|0,0,2]=4 2028 B8R0.3 COC(=O)C(N)CCBr MCULE-5831054247 [0,2,0,0,0,0|0,0,2]=4 2029 B8R0.3 COC(=O)C(N)CCF MCULE-3356013030 [0,2,0,0,0,0|0,0,2]=4 2030 B8R0.3 COC(=O)C(N)CCF MCULE-6443244944 [0,2,0,0,0,0|0,0,2]=4 2031 B8R0.3 COC(=O)C(N)CCS MCULE-8178229832 [0,2,0,0,0,0|0,0,2]=4 2032 B8R0.3 COC(=O)C(N)CSC MCULE-6702025743 [0,2,0,0,0,0|0,0,2]=4 2033 B8R0.3 COC(=O)C(N)CSC MCULE-7180641175 [0,2,0,0,0,0|0,0,2]=4 2034 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-1252477377 [0,2,0,0,0,0|0,0,2]=4 2035 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-6780159971 [0,2,0,0,0,0|0,0,2]=4 2036 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-8129635461 [0,2,0,0,0,0|0,0,2]=4 2037 B8R0.3 COC(=O)[C@@H](N)CCBr MCULE-9824385803 [0,2,0,0,0,0|0,0,2]=4 2038 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-5345736899 [0,2,0,0,0,0|0,0,2]=4 2039 B8R0.3 COC(=O)[C@@H](N)CCN MCULE-8434362314 [0,2,0,0,0,0|0,0,2]=4 2040 B8R0.3 COC(=O)[C@@H](N)CCS MCULE-1895611205 [0,2,0,0,0,0|0,0,2]=4 2041 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-2532401863 [0,2,0,0,0,0|0,0,2]=4 2042 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-3321267517 [0,2,0,0,0,0|0,0,2]=4 2043 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-5693942065 [0,2,0,0,0,0|0,0,2]=4 2044 B8R0.3 COC(=O)[C@@H](N)CSC MCULE-7597642447 [0,2,0,0,0,0|0,0,2]=4 2045 B8R0.3 COC(=O)[C@H](N)CCN MCULE-1821826306 [0,2,0,0,0,0|0,0,2]=4 2046 B8R0.3 COC(=O)[C@H](N)CCN MCULE-8161776969 [0,2,0,0,0,0|0,0,2]=4 2047 B8R0.3 COC(=O)[C@H](N)CCO MCULE-1194830786 [0,2,0,0,0,0|0,0,2]=4 2048 B8R0.3 COC(=O)[C@H](N)CCO MCULE-2532522705 [0,2,0,0,0,0|0,0,2]=4 2049 B8R0.3 COC(=O)[C@H](N)CCS MCULE-8558179208 [0,2,0,0,0,0|0,0,2]=4 2050 B8R0.3 COC=C(I)C(=O)OC MCULE-9702408627 [0,2,0,0,0,0|1,0,0]=3 2051 B8R0.3 COCC(N)C(=O)OC MCULE-1717271658 [0,2,0,0,0,0|0,0,2]=4 2052 B8R0.3 COCC(N)C(=O)OC MCULE-4567479747 [0,2,0,0,0,0|0,0,2]=4 2053 B8R0.3 COCC(N)C(=O)OC MCULE-4859095599 [0,2,0,0,0,0|0,0,2]=4 2054 B8R0.3 COCC(N)C(=O)OC MCULE-8125210840 [0,2,0,0,0,0|0,0,2]=4 2055 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-2867072950 [0,2,0,0,0,0|0,0,2]=4 2056 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-5445193744 [0,2,0,0,0,0|0,0,2]=4 2057 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8505505456 [0,2,0,0,0,0|0,0,2]=4 2058 B8R0.3 COC[C@@H](N)C(=O)OC MCULE-8525451378 [0,2,0,0,0,0|0,0,2]=4 2059 B8R0.3 CON=C(Cl)C(=O)OC MCULE-8277036765 [0,2,0,0,0,0|2,0,0]=4 2060 B8R0.3 CON=C(I)C(=O)OC MCULE-5875796121 [0,2,0,0,0,0|2,0,0]=4 2061 B8R0.3 CONC(=O)C(=O)OC MCULE-9234071987 [0,2,0,0,0,0|2,0,0]=4 2062 B8R0.8 C#CCCC(N)C(=O)O MCULE-2306841483 [0,2,0,0,0,0|0,0,2]=4 2063 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-3328230047 [0,2,0,0,0,0|0,0,2]=4 2064 B8R0.8 C#CCC[C@@H](N)C(=O)O MCULE-8588363102 [0,2,0,0,0,0|0,0,2]=4 2065 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-3269292516 [0,2,0,0,0,0|0,0,2]=4 2066 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6769399323 [0,2,0,0,0,0|0,0,2]=4 2067 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-6930343823 [0,2,0,0,0,0|0,0,2]=4 2068 B8R0.8 C#CCC[C@H](N)C(=O)O MCULE-9522590396 [0,2,0,0,0,0|0,0,2]=4 2069 B8R0.8 C=CCCC(=O)C(=O)O MCULE-8012003653 [0,2,0,0,0,0|1,0,1]=4 2070 B8R0.8 C=CCCC(N)C(=O)O MCULE-1524160350 [0,2,0,0,0,0|0,0,2]=4 2071 B8R0.8 C=CCCC(N)C(=O)O MCULE-5522822192 [0,2,0,0,0,0|0,0,2]=4 2072 B8R0.8 C=CCCC(N)C(=O)O MCULE-7998584890 [0,2,0,0,0,0|0,0,2]=4 2073 B8R0.8 C=CCC[C@@H](N)C(=O)O MCULE-4571532321 [0,2,0,0,0,0|0,0,2]=4 2074 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-2235047291 [0,2,0,0,0,0|0,0,2]=4 2075 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-4644458098 [0,2,0,0,0,0|0,0,2]=4 2076 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-7821274952 [0,2,0,0,0,0|0,0,2]=4 2077 B8R0.8 C=CCC[C@H](N)C(=O)O MCULE-9807212949 [0,2,0,0,0,0|0,0,2]=4 2078 B8R0.8 CC#CCC(N)C(=O)O MCULE-2943446929 [0,2,0,0,0,0|0,0,2]=4 2079 B8R0.8 CC#CCC(N)C(=O)O MCULE-8126081664 [0,2,0,0,0,0|0,0,2]=4 2080 B8R0.8 CC#CC[C@@H](N)C(=O)O MCULE-5156383275 [0,2,0,0,0,0|0,0,2]=4 2081 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-4618959735 [0,2,0,0,0,0|0,0,2]=4 2082 B8R0.8 CC#CC[C@H](N)C(=O)O MCULE-7818390064 [0,2,0,0,0,0|0,0,2]=4 2083 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,2,0,0,0,0|1,0,0]=3 2084 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,2,0,0,0,0|1,0,0]=3 2085 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,2,0,0,0,0|1,0,1]=4 2086 B8R0.8 CCCCC(N)C(=O)O MCULE-4930484202 [0,2,0,0,0,0|0,0,2]=4 2087 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-3687527484 [0,2,0,0,0,0|0,0,2]=4 2088 B8R0.8 CCCC[C@@H](N)C(=O)O MCULE-9410581572 [0,2,0,0,0,0|0,0,2]=4 2089 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-3656145338 [0,2,0,0,0,0|0,0,2]=4 2090 B8R0.8 CCCC[C@H](N)C(=O)O MCULE-7427914532 [0,2,0,0,0,0|0,0,2]=4 2091 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,2,0,0,0,0|1,0,1]=4 2092 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9199053225 [0,2,0,0,0,0|0,0,2]=4 2093 B8R0.8 CCOC[C@@H](N)C(=O)O MCULE-9684903914 [0,2,0,0,0,0|0,0,2]=4 2094 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-6351196285 [0,2,0,0,0,0|0,0,2]=4 2095 B8R0.8 CCOC[C@H](N)C(=O)O MCULE-7653589662 [0,2,0,0,0,0|0,0,2]=4 2096 B8R0.8 CCSCC(N)C(=O)O MCULE-9449250733 [0,2,0,0,0,0|0,0,2]=4 2097 B8R0.8 COCCC(N)C(=O)O MCULE-3018605108 [0,2,0,0,0,0|0,0,2]=4 2098 B8R0.8 COCC[C@H](N)C(=O)O MCULE-6748608543 [0,2,0,0,0,0|0,0,2]=4 2099 B8R0.8 COCC[C@H](N)C(=O)O MCULE-8586358852 [0,2,0,0,0,0|0,0,2]=4 2100 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,2,0,0,0,0|1,0,1]=4 2101 B8R0.8 CSCCC(N)C(=O)O MCULE-5626142345 [0,2,0,0,0,0|0,0,2]=4 2102 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-2209985195 [0,2,0,0,0,0|0,0,2]=4 2103 B8R0.8 CSCC[C@@H](N)C(=O)O MCULE-9944164883 [0,2,0,0,0,0|0,0,2]=4 2104 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-3383932641 [0,2,0,0,0,0|0,0,2]=4 2105 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-4603455639 [0,2,0,0,0,0|0,0,2]=4 2106 B8R0.8 CSCC[C@H](N)C(=O)O MCULE-7228063662 [0,2,0,0,0,0|0,0,2]=4 2107 B8R0.8 C[Se]CCC(N)C(=O)O MCULE-9212969564 [0,2,0,0,0,0|0,0,2]=4 2108 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5333020269 [0,2,0,0,0,0|0,0,2]=4 2109 B8R0.8 C[Se]CC[C@H](N)C(=O)O MCULE-5980340572 [0,2,0,0,0,0|0,0,2]=4 2110 B8R0.8 NC(CCCO)C(=O)O MCULE-5421732564 [0,2,0,0,0,0|0,0,2]=4 2111 B8R0.8 NCCCC(N)C(=O)O MCULE-1970642620 [0,2,0,0,0,0|0,0,2]=4 2112 B8R0.8 NCCCC(N)C(=O)O MCULE-4486209373 [0,2,0,0,0,0|0,0,2]=4 2113 B8R0.8 NCCCC(N)C(=O)O MCULE-8193724048 [0,2,0,0,0,0|0,0,2]=4 2114 B8R0.8 NCCCC(N)C(=O)O MCULE-9223414094 [0,2,0,0,0,0|0,0,2]=4 2115 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-1634156072 [0,2,0,0,0,0|0,0,2]=4 2116 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2602820298 [0,2,0,0,0,0|0,0,2]=4 2117 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-2719848774 [0,2,0,0,0,0|0,0,2]=4 2118 B8R0.8 NCCC[C@@H](N)C(=O)O MCULE-8413545449 [0,2,0,0,0,0|0,0,2]=4 2119 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2588005079 [0,2,0,0,0,0|0,0,2]=4 2120 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-2852667696 [0,2,0,0,0,0|0,0,2]=4 2121 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-3029872280 [0,2,0,0,0,0|0,0,2]=4 2122 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-4242810787 [0,2,0,0,0,0|0,0,2]=4 2123 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-6924538097 [0,2,0,0,0,0|0,0,2]=4 2124 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-8642266626 [0,2,0,0,0,0|0,0,2]=4 2125 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9352931710 [0,2,0,0,0,0|0,0,2]=4 2126 B8R0.8 NCCC[C@H](N)C(=O)O MCULE-9532999202 [0,2,0,0,0,0|0,0,2]=4 2127 B8R0.8 NOCCC(N)C(=O)O MCULE-1540658941 [0,2,0,0,0,0|0,0,2]=4 2128 B8R0.8 NOCCC(N)C(=O)O MCULE-3729513992 [0,2,0,0,0,0|0,0,2]=4 2129 B8R0.8 NOCC[C@@H](N)C(=O)O MCULE-3273727827 [0,2,0,0,0,0|0,0,2]=4 2130 B8R0.8 NOCC[C@H](N)C(=O)O MCULE-2315172974 [0,2,0,0,0,0|0,0,2]=4 2131 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-3220645027 [0,2,0,0,0,0|0,0,2]=4 2132 B8R0.8 N[C@@H](CCCO)C(=O)O MCULE-4608316868 [0,2,0,0,0,0|0,0,2]=4 2133 B8R0.8 [C@@H](N)(CCC=C)C(=O)O MCULE-9648209291 [0,2,0,0,0,0|0,0,2]=4 2134 B8R0.8 [C@H](N)(CCON)C(=O)O MCULE-1309966773 [0,2,0,0,0,0|0,0,2]=4 2135 B8R0.12 C=CCC(C)(N)C(=O)O MCULE-7144199889 [0,2,0,0,0,0|0,0,2]=4 2136 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-4753726738 [0,2,0,0,0,0|0,0,2]=4 2137 B8R0.12 C=CC[C@@](C)(N)C(=O)O MCULE-8270551752 [0,2,0,0,0,0|0,0,2]=4 2138 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-2471413685 [0,2,0,0,0,0|0,0,2]=4 2139 B8R0.12 C=CC[C@](C)(N)C(=O)O MCULE-5595289174 [0,2,0,0,0,0|0,0,2]=4 2140 B8R0.12 CC(N)(CCF)C(=O)O MCULE-5797177130 [0,2,0,0,0,0|0,0,2]=4 2141 B8R0.12 CC(N)(CCF)C(=O)O MCULE-9911119608 [0,2,0,0,0,0|0,0,2]=4 2142 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [0,2,0,0,0,0|0,0,2]=4 2143 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [0,2,0,0,0,0|0,0,2]=4 2144 B8R0.15 CCC(CCN)C(=O)O MCULE-3540595708 [0,2,0,0,0,0|0,0,2]=4 2145 B8R0.15 CCC(CCN)C(=O)O MCULE-6369668711 [0,2,0,0,0,0|0,0,2]=4 2146 B8R0.15 CCC(NC=O)C(=O)O MCULE-6163876154 [0,2,0,0,0,0|0,0,2]=4 2147 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [0,2,0,0,0,0|0,0,2]=4 2148 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [0,2,0,0,0,0|0,0,2]=4 2149 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [0,2,0,0,0,0|0,0,2]=4 2150 B8R0.15 CCCC(NO)C(=O)O MCULE-7484331195 [0,2,0,0,0,0|0,0,2]=4 2151 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [0,2,0,0,0,0|0,0,2]=4 2152 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [0,2,0,0,0,0|0,0,2]=4 2153 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [0,2,0,0,0,0|0,0,2]=4 2154 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [0,2,0,0,0,0|0,0,2]=4 2155 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [0,2,0,0,0,0|0,0,2]=4 2156 B8R0.15 CCC[C@H](NO)C(=O)O MCULE-7455558431 [0,2,0,0,0,0|0,0,2]=4 2157 B8R0.15 CNC(CCN)C(=O)O MCULE-6687313255 [0,2,0,0,0,0|0,0,2]=4 2158 B8R0.15 CNC(COC)C(=O)O MCULE-4091913769 [0,2,0,0,0,0|0,0,2]=4 2159 B8R0.15 CNC(COC)C(=O)O MCULE-6745647660 [0,2,0,0,0,0|0,0,2]=4 2160 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-4209872941 [0,2,0,0,0,0|0,0,2]=4 2161 B8R0.15 CN[C@@H](CCO)C(=O)O MCULE-7202916887 [0,2,0,0,0,0|0,0,2]=4 2162 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-1874728709 [0,2,0,0,0,0|0,0,2]=4 2163 B8R0.15 CN[C@H](CCO)C(=O)O MCULE-3716592032 [0,2,0,0,0,0|0,0,2]=4 2164 B8R0.15 COC(CCN)C(=O)O MCULE-1510512790 [0,2,0,0,0,0|1,0,1]=4 2165 B8R0.15 COCC(ON)C(=O)O MCULE-4466158339 [0,2,0,0,0,0|0,0,2]=4 2166 B8R0.15 COCC(ON)C(=O)O MCULE-6084078663 [0,2,0,0,0,0|0,0,2]=4 2167 B8R0.15 CON=C(C#N)C(=O)O MCULE-8899897561 [0,2,0,0,0,0|1,0,1]=4 2168 B8R0.13 CCC(C)(N)C(=O)OC MCULE-3094414845 [0,2,0,0,0,0|0,0,2]=4 2169 B8R0.13 CCC(C)(N)C(=O)OC MCULE-3671452978 [0,2,0,0,0,0|0,0,2]=4 2170 B8R0.13 CCC(C)(N)C(=O)OC MCULE-7294646980 [0,2,0,0,0,0|0,0,2]=4 2171 B8R0.13 CCC(C)(N)C(=O)OC MCULE-7579678256 [0,2,0,0,0,0|0,0,2]=4 2172 B8R0.13 CCC(C)(N)C(=O)OC MCULE-8600950514 [0,2,0,0,0,0|0,0,2]=4 2173 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-2166068124 [0,2,0,0,0,0|0,0,2]=4 2174 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-5528793909 [0,2,0,0,0,0|0,0,2]=4 2175 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-5577268972 [0,2,0,0,0,0|0,0,2]=4 2176 B8R0.13 CC[C@@](C)(N)C(=O)OC MCULE-9937729069 [0,2,0,0,0,0|0,0,2]=4 2177 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-1110630847 [0,2,0,0,0,0|0,0,2]=4 2178 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-1873229791 [0,2,0,0,0,0|0,0,2]=4 2179 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-2400409033 [0,2,0,0,0,0|0,0,2]=4 2180 B8R0.13 CC[C@](C)(N)C(=O)OC MCULE-7488892262 [0,2,0,0,0,0|0,0,2]=4 2181 B8R0.20 CCC(CN)C(=O)OC MCULE-1321974588 [0,2,0,0,0,0|0,0,2]=4 2182 B8R0.20 CCC(CN)C(=O)OC MCULE-3486156834 [0,2,0,0,0,0|0,0,2]=4 2183 B8R0.20 CCC(NC)C(=O)OC MCULE-2432468432 [0,2,0,0,0,0|0,0,2]=4 2184 B8R0.20 CCC(NC)C(=O)OC MCULE-3478855741 [0,2,0,0,0,0|0,0,2]=4 2185 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-3786730078 [0,2,0,0,0,0|0,0,2]=4 2186 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-5452442009 [0,2,0,0,0,0|0,0,2]=4 2187 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-6957965861 [0,2,0,0,0,0|0,0,2]=4 2188 B8R0.20 CC[C@H](NC)C(=O)OC MCULE-7876560081 [0,2,0,0,0,0|0,0,2]=4 2189 B8R0.20 CNC(CN)C(=O)OC MCULE-3787828683 [0,2,0,0,0,0|1,0,1]=4 2190 B8R0.20 COC(=O)C(CN)OC MCULE-2907367615 [0,2,0,0,0,0|1,0,1]=4 2191 B8R0.20 COC(=O)[C@H](CN)OC MCULE-7711946747 [0,2,0,0,0,0|1,0,1]=4 2192 B8R0.20 COC(=O)[C@H](CN)OC MCULE-8104475257 [0,2,0,0,0,0|1,0,1]=4 2193 B8R0.36 C=CC(N)(CO)C(=O)O MCULE-8811599430 [0,2,0,0,0,0|0,0,2]=4 2194 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9609626868 [0,2,0,0,0,0|0,0,2]=4 2195 B8R0.36 CCC(N)(CC)C(=O)O MCULE-9646246236 [0,2,0,0,0,0|0,0,2]=4 2196 B8R0.37 C=C(C)C(C)(C)C(=O)O MCULE-2186408605 [0,2,0,0,0,0|1,0,1]=4 2197 B8R0.37 CC(=O)C(C)(C)C(=O)O MCULE-5093326895 [0,2,0,0,0,0|1,0,1]=4 2198 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-2018617657 [0,2,0,0,0,0|0,0,2]=4 2199 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-8116018936 [0,2,0,0,0,0|0,0,2]=4 2200 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-1672449529 [0,2,0,0,0,0|0,0,2]=4 2201 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-5333264309 [0,2,0,0,0,0|0,0,2]=4 2202 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-3942243398 [0,2,0,0,0,0|0,0,2]=4 2203 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-5291448404 [0,2,0,0,0,0|0,0,2]=4 2204 B8R0.37 CC(O)C(C)(N)C(=O)O MCULE-9781647782 [0,2,0,0,0,0|0,0,2]=4 2205 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-4212497890 [0,2,0,0,0,0|0,0,2]=4 2206 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-7382680634 [0,2,0,0,0,0|0,0,2]=4 2207 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O MCULE-5661079280 [0,2,0,0,0,0|0,0,2]=4 2208 B8R0.27 C(N)(C(=O)O)C(C)(C)S MCULE-1893345960 [0,2,0,0,0,0|0,0,2]=4 2209 B8R0.27 C=C(C(=O)O)C(C)(C)C MCULE-7253303469 [0,2,0,0,0,0|1,0,1]=4 2210 B8R0.27 CC(C)(C)C(=O)C(=O)O MCULE-2891266778 [0,2,0,0,0,0|1,0,1]=4 2211 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-4378220677 [0,2,0,0,0,0|0,0,2]=4 2212 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-7142182400 [0,2,0,0,0,0|0,0,2]=4 2213 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-9877941557 [0,2,0,0,0,0|0,0,2]=4 2214 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-1280092872 [0,2,0,0,0,0|0,0,2]=4 2215 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-8741274445 [0,2,0,0,0,0|0,0,2]=4 2216 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-9585981018 [0,2,0,0,0,0|0,0,2]=4 2217 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-2361901374 [0,2,0,0,0,0|0,0,2]=4 2218 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-7700637346 [0,2,0,0,0,0|0,0,2]=4 2219 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8028056550 [0,2,0,0,0,0|0,0,2]=4 2220 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8791211435 [0,2,0,0,0,0|0,0,2]=4 2221 B8R0.27 CC(C)(F)C(N)C(=O)O MCULE-3479476353 [0,2,0,0,0,0|0,0,2]=4 2222 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-4975554837 [0,2,0,0,0,0|0,0,2]=4 2223 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-6202392495 [0,2,0,0,0,0|0,0,2]=4 2224 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [0,2,0,0,0,0|0,0,2]=4 2225 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [0,2,0,0,0,0|0,0,2]=4 2226 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [0,2,0,0,0,0|0,0,2]=4 2227 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [0,2,0,0,0,0|0,0,2]=4 2228 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [0,2,0,0,0,0|0,0,2]=4 2229 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [0,2,0,0,0,0|0,0,2]=4 2230 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [0,2,0,0,0,0|0,0,2]=4 2231 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [0,2,0,0,0,0|0,0,2]=4 2232 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-4184299411 [0,2,0,0,0,0|0,0,2]=4 2233 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-8542176080 [0,2,0,0,0,0|0,0,2]=4 2234 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-5986342172 [0,2,0,0,0,0|0,0,2]=4 2235 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-9856748563 [0,2,0,0,0,0|0,0,2]=4 2236 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-3098543641 [0,2,0,0,0,0|0,0,2]=4 2237 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-9539588985 [0,2,0,0,0,0|0,0,2]=4 2238 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-1789483909 [0,2,0,0,0,0|0,0,2]=4 2239 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-3186979989 [0,2,0,0,0,0|0,0,2]=4 2240 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [0,2,0,0,0,0|0,0,2]=4 2241 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S MCULE-5559697921 [0,2,0,0,0,0|0,0,2]=4 2242 B8R0.18 CC(=C(C#N)C(=O)O)C MCULE-7102466999 [0,2,0,0,0,0|0,0,1]=3 2243 B8R0.18 CC(=O)C(=CN)C(=O)C MCULE-1809554699 [0,2,0,0,0,0|1,0,0]=3 2244 B8R0.18 CC(=O)C(=NO)C(=O)C MCULE-5277683993 [0,2,0,0,0,0|1,0,1]=4 2245 B8R0.18 CC(C)C(CN)C(=O)O MCULE-4117902081 [0,2,0,0,0,0|0,0,2]=4 2246 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7615812755 [0,2,0,0,0,0|0,0,2]=4 2247 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7742033605 [0,2,0,0,0,0|0,0,2]=4 2248 B8R0.18 CC(C)C(NN)C(=O)O MCULE-5064228794 [0,2,0,0,0,0|0,0,2]=4 2249 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-1192054373 [0,2,0,0,0,0|0,0,2]=4 2250 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-3040043200 [0,2,0,0,0,0|0,0,2]=4 2251 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-4353846755 [0,2,0,0,0,0|0,0,2]=4 2252 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-6762829521 [0,2,0,0,0,0|0,0,2]=4 2253 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4384560751 [0,2,0,0,0,0|0,0,2]=4 2254 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4859224613 [0,2,0,0,0,0|0,0,2]=4 2255 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4974717674 [0,2,0,0,0,0|0,0,2]=4 2256 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-7170111497 [0,2,0,0,0,0|0,0,2]=4 2257 B8R0.18 CC(C)[C@H](NO)C(=O)O MCULE-4203177410 [0,2,0,0,0,0|0,0,2]=4 2258 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,2,0,0,0,0|0,0,2]=4 2259 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [0,2,0,0,0,0|0,0,2]=4 2260 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [0,2,0,0,0,0|0,0,2]=4 2261 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [0,2,0,0,0,0|0,0,2]=4 2262 B8R0.18 CN(C)C(CN)C(=O)O MCULE-6449978430 [0,2,0,0,0,0|1,0,1]=4 2263 B8R0.18 CNC(C(=O)O)C(C)C MCULE-2983512448 [0,2,0,0,0,0|0,0,2]=4 2264 B8R0.18 CNC(C(=O)O)C(C)C MCULE-5377326864 [0,2,0,0,0,0|0,0,2]=4 2265 B8R0.18 CNC(C(=O)O)C(C)C MCULE-7319327975 [0,2,0,0,0,0|0,0,2]=4 2266 B8R0.18 CNC(C(=O)O)C(C)O MCULE-8017224741 [0,2,0,0,0,0|0,0,2]=4 2267 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4099145544 [0,2,0,0,0,0|0,0,2]=4 2268 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4380404369 [0,2,0,0,0,0|0,0,2]=4 2269 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9367123188 [0,2,0,0,0,0|0,0,2]=4 2270 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9706333586 [0,2,0,0,0,0|0,0,2]=4 2271 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5443567819 [0,2,0,0,0,0|0,0,2]=4 2272 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5552228182 [0,2,0,0,0,0|0,0,2]=4 2273 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5767489702 [0,2,0,0,0,0|0,0,2]=4 2274 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-8822349419 [0,2,0,0,0,0|0,0,2]=4 2275 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-5405618703 [0,2,0,0,0,0|0,0,2]=4 2276 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-6470355986 [0,2,0,0,0,0|0,0,2]=4 2277 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7261692258 [0,2,0,0,0,0|0,0,2]=4 2278 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7763091319 [0,2,0,0,0,0|0,0,2]=4 2279 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-8429501411 [0,2,0,0,0,0|0,0,2]=4 2280 B8R0.18 COC(C(=O)O)C(C)N MCULE-5882264486 [0,2,0,0,0,0|1,0,1]=4 2281 B8R0.18 N#CC(=C(N)Cl)C(=O)O MCULE-9943473987 [0,2,0,0,0,0|1,0,1]=4 2282 B8R0.18 O=C(O)C(=CBr)C(=O)O MCULE-6610352716 [0,2,0,0,0,0|2,0,0]=4 2283 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [1,0,0,1,0,0|1,0,1]=4 2284 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [1,0,0,1,0,0|2,0,0]=4 2285 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [1,0,0,1,0,0|1,0,1]=4 2286 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [1,0,0,1,0,0|2,0,0]=4 2287 B6R1.2 CC1=CCCO1 MCULE-7276659214 [1,0,0,1,0,0|1,0,1]=4 2288 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [1,0,0,1,0,0|1,0,1]=4 2289 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [1,0,0,1,0,0|1,0,1]=4 2290 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [1,0,0,1,0,0|1,0,1]=4 2291 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [1,0,0,1,0,0|2,0,0]=4 2292 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,1,0,0|1,0,0]=3 2293 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,1,0,0|1,0,0]=3 2294 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,1,0,0|0,0,0]=2 2295 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,1,0,0|0,1,0]=3 2296 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [1,0,0,1,0,0|2,0,0]=4 2297 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,1,0,0|2,0,0]=4 2298 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [1,0,0,1,0,0|2,0,0]=4 2299 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|0,0,2]=4 2300 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [1,0,0,1,0,0|1,0,1]=4 2301 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|1,0,1]=4 2302 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [1,0,0,1,0,0|1,0,1]=4 2303 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,1,0,0|1,0,1]=4 2304 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [1,0,0,1,0,0|0,0,2]=4 2305 B6R1.2 OC1=CC=CS1 MCULE-8044830478 [1,0,0,1,0,0|0,1,1]=4 2306 B6R1.2 OC1=CC=NN1 MCULE-9109008036 [1,0,0,1,0,0|2,0,0]=4 2307 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [1,0,0,1,0,0|2,0,0]=4 2308 B6R1.2 OC1=CSC=C1 MCULE-2226095386 [1,0,0,1,0,0|2,0,0]=4 2309 B6R1.2 OC1=NOC=C1 MCULE-6441945551 [1,0,0,1,0,0|2,0,0]=4 2310 B6R1.2 OC1C=CCC1 MCULE-3857764876 [1,0,0,1,0,0|1,0,1]=4 2311 B6R1.2 OC1C=CCO1 MCULE-4636930669 [1,0,0,1,0,0|0,0,2]=4 2312 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [1,0,0,1,0,0|0,0,2]=4 2313 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|0,0,2]=4 2314 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|0,0,2]=4 2315 B6R1.10 O=S1(=O)C=CC1 MCULE-7285340589 [1,0,0,1,0,0|1,0,1]=4 2316 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|0,0,2]=4 2317 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|1,0,1]=4 2318 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,1,0,0|1,0,1]=4 2319 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|1,0,1]=4 2320 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|1,0,1]=4 2321 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,1,0,0|1,0,1]=4 2322 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,1,0,0|1,0,1]=4 2323 B6R1.4 NC1CCC1=O MCULE-3868209809 [1,0,0,1,0,0|0,0,2]=4 2324 B6R1.4 NC1CCC1=O MCULE-9741389143 [1,0,0,1,0,0|0,0,2]=4 2325 B6R1.4 NN1CCC1=O MCULE-6200802911 [1,0,0,1,0,0|1,0,1]=4 2326 B6R1.4 NN1CCC1=O MCULE-8249778821 [1,0,0,1,0,0|1,0,1]=4 2327 B8R1.1 CCC1=CC(=NN1)O MCULE-1729668169 [0,0,0,1,0,1|1,0,1]=4 2328 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,0,0,1,0,1|2,0,0]=4 2329 B8R1.1 CSC1=NC(=O)CN1 MCULE-2550909457 [0,0,0,1,0,1|2,0,0]=4 2330 B8R1.1 NCC1=NC(=O)ON1 MCULE-1736493364 [0,0,0,1,0,1|1,0,1]=4 2331 B8R1.1 NCC1=NC(=O)ON1 MCULE-9797025169 [0,0,0,1,0,1|1,0,1]=4 2332 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,0,0,1,0,1|1,0,1]=4 2333 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,0,0,1,0,1|2,0,0]=4 2334 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,0,0,1,0,1|2,0,0]=4 2335 B8R1.4 NC1=CC(=CC=C1)O MCULE-5018733029 [0,0,0,1,0,1|1,0,1]=4 2336 B8R1.4 NC1=CC(=CC=C1)O MCULE-9533727704 [0,0,0,1,0,1|1,0,1]=4 2337 B8R1.4 NC1=CC(=CN=C1)O MCULE-2434243781 [0,0,0,1,0,1|2,0,0]=4 2338 B8R1.4 NC1=CC(=CN=C1)O MCULE-8388287794 [0,0,0,1,0,1|2,0,0]=4 2339 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,0,0,1,0,1|1,0,1]=4 2340 B8R1.4 NC1=CC(=O)NN=C1 MCULE-1959597477 [0,0,0,1,0,1|2,0,0]=4 2341 B8R1.4 NC1=CC=CC(=C1)O MCULE-7576733778 [0,0,0,1,0,1|1,0,1]=4 2342 B8R1.4 NC1=CC=CC(=N1)O MCULE-2819522638 [0,0,0,1,0,1|1,0,1]=4 2343 B8R1.4 NC1=CC=NC(=C1)O MCULE-3808302764 [0,0,0,1,0,1|1,0,1]=4 2344 B8R1.4 NC1=CN=CC(=C1)O MCULE-3136594504 [0,0,0,1,0,1|2,0,0]=4 2345 B8R1.4 NC1=CN=CC(=O)N1 MCULE-3785264411 [0,0,0,1,0,1|2,0,0]=4 2346 B8R1.4 NC1=NC(=O)NC=C1 MCULE-4426252594 [0,0,0,1,0,1|1,0,1]=4 2347 B8R1.4 NC1=NC(=O)NC=C1 MCULE-5444602171 [0,0,0,1,0,1|1,0,1]=4 2348 B8R1.4 NC1=NC(=O)NN=C1 MCULE-5047415100 [0,0,0,1,0,1|2,0,0]=4 2349 B8R1.4 NC1=NCCC(=O)N1 MCULE-1616157929 [0,0,0,1,0,1|2,0,0]=4 2350 B8R1.4 O=C1C=C(C=CO1)Br MCULE-4630205017 [0,0,0,1,0,1|1,0,1]=4 2351 B8R1.4 O=C1C=C(C=CO1)Cl MCULE-6319657516 [0,0,0,1,0,1|1,0,1]=4 2352 B8R1.4 O=C1C=COC(=O)C1 MCULE-9289887221 [0,0,0,1,0,1|1,0,1]=4 2353 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,0,0,1,0,1|1,0,1]=4 2354 B8R1.18 C=C1CC(=O)OC1=O MCULE-1819893564 [0,0,0,1,0,1|2,0,0]=4 2355 B8R1.18 CC1=C(C=C(S1)Br)N MCULE-2952535718 [0,0,0,1,0,1|1,1,0]=4 2356 B8R1.18 CC1=C(N=C(S1)Br)N MCULE-3546154761 [0,0,0,1,0,1|1,1,0]=4 2357 B8R1.18 CC1=C(N=C(S1)Br)N MCULE-5676256407 [0,0,0,1,0,1|1,1,0]=4 2358 B8R1.18 CC1=C(N=C(S1)N)N MCULE-9776464870 [0,0,0,1,0,1|1,1,0]=4 2359 B8R1.18 CC1=C(NC(=O)N1)C MCULE-1459949338 [0,0,0,1,0,1|2,0,0]=4 2360 B8R1.18 CC1=C(OC(=N1)Br)C MCULE-9112167282 [0,0,0,1,0,1|2,0,0]=4 2361 B8R1.18 CC1=C(OC(=N1)N)C MCULE-3252637238 [0,0,0,1,0,1|2,0,0]=4 2362 B8R1.18 CC1=C(OC(=N1)N)C MCULE-3438729874 [0,0,0,1,0,1|2,0,0]=4 2363 B8R1.18 CC1=C(OC(=N1)S)C MCULE-2507729996 [0,0,0,1,0,1|1,1,0]=4 2364 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,0,0,1,0,1|1,0,0]=3 2365 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [0,0,0,1,0,1|1,0,0]=3 2366 B8R1.18 CC1=C(SC(=C1)Br)N MCULE-6141225156 [0,0,0,1,0,1|2,0,0]=4 2367 B8R1.18 CC1=C(SC(=O)N1)C MCULE-3147831549 [0,0,0,1,0,1|1,1,0]=4 2368 B8R1.18 CC1=CC(=C(O1)C)C MCULE-4079062433 [0,0,0,1,0,1|2,0,0]=4 2369 B8R1.18 CC1=CC(=C(O1)C)N MCULE-1778849195 [0,0,0,1,0,1|1,0,0]=3 2370 B8R1.18 CC1=CC(=C(O1)C)S MCULE-9143219265 [0,0,0,1,0,1|2,0,0]=4 2371 B8R1.18 CC1=CC(=C(S1)C)N MCULE-1900772181 [0,0,0,1,0,1|1,1,0]=4 2372 B8R1.18 CC1=CC(=C(S1)C)N MCULE-7331939624 [0,0,0,1,0,1|1,1,0]=4 2373 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,0,0,1,0,1|2,0,0]=4 2374 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,0,0,1,0,1|2,0,0]=4 2375 B8R1.18 CC1=NC(=C(O1)C)Br MCULE-1148845762 [0,0,0,1,0,1|2,0,0]=4 2376 B8R1.18 CC1=NC(=C(O1)C)C MCULE-7767552824 [0,0,0,1,0,1|2,0,0]=4 2377 B8R1.18 CC1=NC(=C(S1)N)C MCULE-2042520719 [0,0,0,1,0,1|2,0,0]=4 2378 B8R1.18 CC1=NC(=C(S1)N)C MCULE-6781801340 [0,0,0,1,0,1|2,0,0]=4 2379 B8R1.18 CC1=NC(=C(S1)N)C MCULE-7768853647 [0,0,0,1,0,1|2,0,0]=4 2380 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,0,0,1,0,1|1,0,1]=4 2381 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,0,0,1,0,1|1,0,1]=4 2382 B8R1.18 CN1C=C(N=C1N)O MCULE-4721677175 [0,0,0,1,0,1|2,0,0]=4 2383 B8R1.18 CN1CC(=O)N=C1N MCULE-2231869894 [0,0,0,1,0,1|2,0,0]=4 2384 B8R1.18 CN1NC(=O)C=C1N MCULE-9124998543 [0,0,0,1,0,1|2,0,0]=4 2385 B8R1.18 CN1OC(=O)C=C1N MCULE-3196224067 [0,0,0,1,0,1|1,0,0]=3 2386 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,0,0,1,0,1|1,0,1]=4 2387 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,0,0,1,0,1|1,0,1]=4 2388 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,0,0,1,0,1|1,0,1]=4 2389 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,0,0,1,0,1|1,0,1]=4 2390 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,0,0,1,0,1|1,0,1]=4 2391 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,0,0,1,0,1|1,0,1]=4 2392 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,0,0,1,0,1|1,0,1]=4 2393 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,0,0,1,0,1|1,0,1]=4 2394 B8R1.18 O=C1C=C(C(=O)O1)Br MCULE-2984870530 [0,0,0,1,0,1|2,0,0]=4 2395 B8R1.18 O=C1CC(=C(O1)Br)O MCULE-8632709834 [0,0,0,1,0,1|2,0,0]=4 2396 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,0,0,1,0,1|1,0,1]=4 2397 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,0,0,1,0,1|0,0,2]=4 2398 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,0,0,1,0,1|0,0,2]=4 2399 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,0,0,1,0,1|0,0,2]=4 2400 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,0,0,1,0,1|0,0,2]=4 2401 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,0,0,1,0,1|0,0,2]=4 2402 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,0,0,1,0,1|0,0,2]=4 2403 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,0,0,1,0,1|0,0,2]=4 2404 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,0,0,1,0,1|0,0,2]=4 2405 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,0,0,1,0,1|0,0,2]=4 2406 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,0,0,1,0,1|0,0,2]=4 2407 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,0,0,1,0,1|0,0,2]=4 2408 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,0,0,1,0,1|0,0,2]=4 2409 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,0,0,1,0,1|0,0,2]=4 2410 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,0,0,1,0,1|0,0,2]=4 2411 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,0,0,1,0,1|0,0,2]=4 2412 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,0,0,1,0,1|0,0,2]=4 2413 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,0,0,1,0,1|1,0,1]=4 2414 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,0,0,1,0,1|0,0,2]=4 2415 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,0,0,1,0,1|0,0,2]=4 2416 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,0,0,1,0,1|0,0,2]=4 2417 B8R1.5 CC1=CCCCC1=O MCULE-6245248136 [0,1,0,1,0,0|2,0,0]=4 2418 B8R1.5 NC1=C(C=CC=C1)O MCULE-7578442073 [0,1,0,1,0,0|1,0,1]=4 2419 B8R1.5 NC1=C(C=CC=N1)O MCULE-8615828483 [0,1,0,1,0,0|1,0,1]=4 2420 B8R1.5 NC1=C(C=CN=C1)O MCULE-3367403230 [0,1,0,1,0,0|1,0,1]=4 2421 B8R1.5 NC1=C(C=CN=C1)O MCULE-5872900819 [0,1,0,1,0,0|1,0,1]=4 2422 B8R1.5 NC1=C(C=CN=C1)O MCULE-5936368124 [0,1,0,1,0,0|1,0,1]=4 2423 B8R1.5 NC1=C(C=NC=C1)O MCULE-1408782134 [0,1,0,1,0,0|1,0,1]=4 2424 B8R1.5 NC1=C(C=NC=C1)O MCULE-3808267312 [0,1,0,1,0,0|1,0,1]=4 2425 B8R1.5 NC1=C(C=NC=C1)O MCULE-4071074308 [0,1,0,1,0,0|1,0,1]=4 2426 B8R1.5 NC1=C(C=NC=N1)O MCULE-4613295090 [0,1,0,1,0,0|2,0,0]=4 2427 B8R1.5 NC1=C(N=CC=C1)O MCULE-2897961658 [0,1,0,1,0,0|1,0,1]=4 2428 B8R1.5 NC1=CC=CC=C1O MCULE-3989828500 [0,1,0,1,0,0|1,0,1]=4 2429 B8R1.5 NC1=CC=CC=C1O MCULE-5560819074 [0,1,0,1,0,0|1,0,1]=4 2430 B8R1.5 NC1=CC=CNC1=O MCULE-2705834056 [0,1,0,1,0,0|1,0,1]=4 2431 B8R1.5 NC1=CC=NNC1=O MCULE-8399809124 [0,1,0,1,0,0|1,0,1]=4 2432 B8R1.5 NC1=CN=CNC1=O MCULE-3512580009 [0,1,0,1,0,0|1,0,1]=4 2433 B8R1.5 NC1=CNC=NC1=O MCULE-8037468633 [0,1,0,1,0,0|1,0,1]=4 2434 B8R1.5 NC1=NC=CC=C1O MCULE-1688280171 [0,1,0,1,0,0|1,0,1]=4 2435 B8R1.5 NC1=NC=CNC1=O MCULE-6254794637 [0,1,0,1,0,0|1,0,1]=4 2436 B8R1.5 NN1CCCOC1=O MCULE-6942418314 [0,1,0,1,0,0|1,0,1]=4 2437 B8R1.5 O=C1CCCC=C1Br MCULE-3661382076 [0,1,0,1,0,0|2,0,0]=4 2438 B8R1.5 O=C1CCCC=C1I MCULE-5006563152 [0,1,0,1,0,0|2,0,0]=4 2439 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [0,1,0,1,0,0|2,0,0]=4 2440 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [0,1,0,1,0,0|2,0,0]=4 2441 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,1,0,1,0,0|1,0,1]=4 2442 B8R1.5 O=C1OC=CC=C1Br MCULE-5287176026 [0,1,0,1,0,0|1,0,1]=4 2443 B8R1.5 O=C1OC=CC=C1O MCULE-9890470217 [0,1,0,1,0,0|1,0,1]=4 2444 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [0,1,0,1,0,0|1,0,0]=3 2445 B8R1.7 C1(CCNC1)C(=O)O MCULE-3210241958 [0,1,0,1,0,0|0,0,2]=4 2446 B8R1.7 C1(CCNC1)C(=O)O MCULE-6517290754 [0,1,0,1,0,0|0,0,2]=4 2447 B8R1.7 C1=NC(=CS1)C(=O)O MCULE-4723437766 [0,1,0,1,0,0|0,0,2]=4 2448 B8R1.7 CC(=O)C1=CC=CN1 MCULE-8111376055 [0,1,0,1,0,0|1,0,1]=4 2449 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [0,1,0,1,0,0|2,0,0]=4 2450 B8R1.7 CC(=O)C1=CNC=C1 MCULE-6298298881 [0,1,0,1,0,0|1,0,1]=4 2451 B8R1.7 CC(=O)C1=CNN=C1 MCULE-2423677830 [0,1,0,1,0,0|2,0,0]=4 2452 B8R1.7 CC(=O)C1=CNN=C1 MCULE-5581334055 [0,1,0,1,0,0|2,0,0]=4 2453 B8R1.7 CC(=O)C1=NC=CN1 MCULE-5563475674 [0,1,0,1,0,0|1,0,1]=4 2454 B8R1.7 CC(=O)C1=NC=CN1 MCULE-8301653421 [0,1,0,1,0,0|1,0,1]=4 2455 B8R1.7 CC(=O)C1=NC=NN1 MCULE-7383492886 [0,1,0,1,0,0|2,0,0]=4 2456 B8R1.7 CC(=O)C1=NNC=C1 MCULE-1764885364 [0,1,0,1,0,0|1,0,1]=4 2457 B8R1.7 CC(=O)C1=NNC=C1 MCULE-2223319558 [0,1,0,1,0,0|1,0,1]=4 2458 B8R1.7 CC(=O)C1=NNN=C1 MCULE-3528005164 [0,1,0,1,0,0|2,0,0]=4 2459 B8R1.7 NC(=O)C1=CC=CN1 MCULE-4462347914 [0,1,0,1,0,0|1,0,1]=4 2460 B8R1.7 NC(=O)C1=CC=NN1 MCULE-8826349790 [0,1,0,1,0,0|1,0,1]=4 2461 B8R1.7 NC(=O)C1=CNC=C1 MCULE-1008967076 [0,1,0,1,0,0|1,0,1]=4 2462 B8R1.7 NC(=O)C1=CNN=C1 MCULE-1267271600 [0,1,0,1,0,0|2,0,0]=4 2463 B8R1.7 NC(=O)C1=NC=CN1 MCULE-5895040676 [0,1,0,1,0,0|1,0,1]=4 2464 B8R1.7 NC(=O)C1=NCCN1 MCULE-8784849906 [0,1,0,1,0,0|1,0,1]=4 2465 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-2894820708 [0,1,0,1,0,0|1,0,1]=4 2466 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-3478764941 [0,1,0,1,0,0|1,0,1]=4 2467 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-6696620969 [0,1,0,1,0,0|1,0,1]=4 2468 B8R1.7 NC(=O)[C@@H]1C=CCN1 MCULE-7629009072 [0,1,0,1,0,0|1,0,1]=4 2469 B8R1.7 O=C(Cl)C1=CC=CN1 MCULE-7026539670 [0,1,0,1,0,0|1,0,1]=4 2470 B8R1.7 O=C(Cl)C1=CC=NN1 MCULE-9336611884 [0,1,0,1,0,0|1,0,1]=4 2471 B8R1.7 O=C(Cl)C1=CN=CN1 MCULE-9136436568 [0,1,0,1,0,0|1,0,1]=4 2472 B8R1.7 O=C(Cl)C1=CNN=C1 MCULE-1977295426 [0,1,0,1,0,0|2,0,0]=4 2473 B8R1.7 O=C(Cl)C1=NC=NN1 MCULE-4581179337 [0,1,0,1,0,0|2,0,0]=4 2474 B8R1.7 O=C(O)C1=CC=CN1 MCULE-4915329170 [0,1,0,1,0,0|0,0,1]=3 2475 B8R1.7 O=C(O)C1=CC=CO1 MCULE-5132845727 [0,1,0,1,0,0|1,0,1]=4 2476 B8R1.7 O=C(O)C1=CC=CS1 MCULE-4461858345 [0,1,0,1,0,0|1,0,1]=4 2477 B8R1.7 O=C(O)C1=CC=C[Se]1 MCULE-9543908979 [0,1,0,1,0,0|1,0,1]=4 2478 B8R1.7 O=C(O)C1=CC=NO1 MCULE-4061809739 [0,1,0,1,0,0|0,0,2]=4 2479 B8R1.7 O=C(O)C1=CC=NS1 MCULE-2138423832 [0,1,0,1,0,0|0,0,2]=4 2480 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,1,0,1,0,0|1,0,0]=3 2481 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,1,0,1,0,0|1,0,0]=3 2482 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,1,0,1,0,0|1,0,0]=3 2483 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [0,1,0,1,0,0|0,0,0]=2 2484 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [0,1,0,1,0,0|0,0,0]=2 2485 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,1,0,1,0,0|1,0,0]=3 2486 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,1,0,1,0,0|1,0,0]=3 2487 B8R1.7 O=C(O)C1=CN=CO1 MCULE-9125638838 [0,1,0,1,0,0|1,0,1]=4 2488 B8R1.7 O=C(O)C1=CN=CS1 MCULE-2664666751 [0,1,0,1,0,0|1,0,1]=4 2489 B8R1.7 O=C(O)C1=CN=NN1 MCULE-1013254576 [0,1,0,1,0,0|1,0,0]=3 2490 B8R1.7 O=C(O)C1=CN=NN1 MCULE-7639489993 [0,1,0,1,0,0|1,0,0]=3 2491 B8R1.7 O=C(O)C1=CN=NS1 MCULE-6369402827 [0,1,0,1,0,0|1,0,1]=4 2492 B8R1.7 O=C(O)C1=CNC=C1 MCULE-2877375791 [0,1,0,1,0,0|0,0,1]=3 2493 B8R1.7 O=C(O)C1=CNC=N1 MCULE-2208605512 [0,1,0,1,0,0|0,0,2]=4 2494 B8R1.7 O=C(O)C1=CNN=C1 MCULE-8448917990 [0,1,0,1,0,0|1,0,0]=3 2495 B8R1.7 O=C(O)C1=COC=C1 MCULE-9346491380 [0,1,0,1,0,0|1,0,1]=4 2496 B8R1.7 O=C(O)C1=COC=N1 MCULE-6388820863 [0,1,0,1,0,0|0,0,2]=4 2497 B8R1.7 O=C(O)C1=COC=N1 MCULE-8404142877 [0,1,0,1,0,0|0,0,2]=4 2498 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,1,0,1,0,0|1,0,0]=3 2499 B8R1.7 O=C(O)C1=CON=C1 MCULE-7299487683 [0,1,0,1,0,0|1,0,1]=4 2500 B8R1.7 O=C(O)C1=CSC=C1 MCULE-7934636767 [0,1,0,1,0,0|1,0,1]=4 2501 B8R1.7 O=C(O)C1=CSC=N1 MCULE-6783174927 [0,1,0,1,0,0|0,0,2]=4 2502 B8R1.7 O=C(O)C1=CSC=N1 MCULE-8933604600 [0,1,0,1,0,0|0,0,2]=4 2503 B8R1.7 O=C(O)C1=CSCS1 MCULE-2399429418 [0,1,0,1,0,0|1,0,0]=3 2504 B8R1.7 O=C(O)C1=CSN=C1 MCULE-7435297495 [0,1,0,1,0,0|1,0,1]=4 2505 B8R1.7 O=C(O)C1=CSN=N1 MCULE-1656119426 [0,1,0,1,0,0|1,0,1]=4 2506 B8R1.7 O=C(O)C1=C[NH2+]N=C1 MCULE-2787032965 [0,1,0,1,0,0|1,0,1]=4 2507 B8R1.7 O=C(O)C1=NC=CN1 MCULE-2287559596 [0,1,0,1,0,0|0,0,1]=3 2508 B8R1.7 O=C(O)C1=NC=CO1 MCULE-3527449990 [0,1,0,1,0,0|0,0,2]=4 2509 B8R1.7 O=C(O)C1=NC=CS1 MCULE-2777928670 [0,1,0,1,0,0|0,0,2]=4 2510 B8R1.7 O=C(O)C1=NC=NS1 MCULE-8670562232 [0,1,0,1,0,0|2,0,0]=4 2511 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,1,0,1,0,0|0,0,2]=4 2512 B8R1.7 O=C(O)C1=NN=CS1 MCULE-8669048725 [0,1,0,1,0,0|1,0,1]=4 2513 B8R1.7 O=C(O)C1=NN=NN1 MCULE-3471680359 [0,1,0,1,0,0|2,0,0]=4 2514 B8R1.7 O=C(O)C1=NNC=C1 MCULE-5843831241 [0,1,0,1,0,0|0,0,1]=3 2515 B8R1.7 O=C(O)C1=NNC=N1 MCULE-4465582152 [0,1,0,1,0,0|1,0,1]=4 2516 B8R1.7 O=C(O)C1=NOC=C1 MCULE-3455230166 [0,1,0,1,0,0|0,0,2]=4 2517 B8R1.7 O=C(O)C1=NOC=N1 MCULE-6368000131 [0,1,0,1,0,0|1,0,1]=4 2518 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,1,0,1,0,0|0,0,2]=4 2519 B8R1.7 O=C(O)C1=NON=C1 MCULE-3271564015 [0,1,0,1,0,0|1,0,1]=4 2520 B8R1.7 O=C(O)C1=NSC=C1 MCULE-1466108511 [0,1,0,1,0,0|0,0,2]=4 2521 B8R1.7 O=C(O)C1=NSN=C1 MCULE-1904082193 [0,1,0,1,0,0|1,0,1]=4 2522 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,1,0,1,0,0|1,0,1]=4 2523 B8R1.7 O=C(O)C1C=CCN1 MCULE-2141949922 [0,1,0,1,0,0|0,0,1]=3 2524 B8R1.7 O=C(O)C1C=CCN1 MCULE-3068035697 [0,1,0,1,0,0|0,0,1]=3 2525 B8R1.7 O=C(O)C1C=CCN1 MCULE-4825351403 [0,1,0,1,0,0|0,0,1]=3 2526 B8R1.7 O=C(O)C1C=CCN1 MCULE-9928071710 [0,1,0,1,0,0|0,0,1]=3 2527 B8R1.7 O=C(O)C1C=CCO1 MCULE-7417068170 [0,1,0,1,0,0|1,0,1]=4 2528 B8R1.7 O=C(O)C1CCC=N1 MCULE-1792151957 [0,1,0,1,0,0|1,0,1]=4 2529 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,1,0,1,0,0|0,0,2]=4 2530 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,1,0,1,0,0|0,0,2]=4 2531 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,1,0,1,0,0|0,0,2]=4 2532 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,1,0,1,0,0|0,0,2]=4 2533 B8R1.7 O=C(O)C1CCNC1 MCULE-4976520029 [0,1,0,1,0,0|0,0,2]=4 2534 B8R1.7 O=C(O)C1CCNC1 MCULE-5937045785 [0,1,0,1,0,0|0,0,2]=4 2535 B8R1.7 O=C(O)C1CCNC1 MCULE-6983695276 [0,1,0,1,0,0|0,0,2]=4 2536 B8R1.7 O=C(O)C1COCN1 MCULE-4997392610 [0,1,0,1,0,0|0,0,2]=4 2537 B8R1.7 O=C(O)C1COCN1 MCULE-7001651226 [0,1,0,1,0,0|0,0,2]=4 2538 B8R1.7 O=C(O)C1CSCN1 MCULE-2391637686 [0,1,0,1,0,0|0,0,2]=4 2539 B8R1.7 O=C(O)C1CSCN1 MCULE-9622331370 [0,1,0,1,0,0|0,0,2]=4 2540 B8R1.7 O=C(O)C1NCCS1 MCULE-2504435743 [0,1,0,1,0,0|0,0,2]=4 2541 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-2515045579 [0,1,0,1,0,0|0,0,1]=3 2542 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-3589058117 [0,1,0,1,0,0|0,0,1]=3 2543 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-7995918745 [0,1,0,1,0,0|0,0,1]=3 2544 B8R1.7 O=C(O)[C@@H]1C=CCN1 MCULE-8155212892 [0,1,0,1,0,0|0,0,1]=3 2545 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,1,0,1,0,0|0,0,2]=4 2546 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,1,0,1,0,0|0,0,2]=4 2547 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,1,0,1,0,0|0,0,2]=4 2548 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,1,0,1,0,0|0,0,2]=4 2549 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-3068007507 [0,1,0,1,0,0|0,0,2]=4 2550 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4477578687 [0,1,0,1,0,0|0,0,2]=4 2551 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4524201006 [0,1,0,1,0,0|0,0,2]=4 2552 B8R1.7 O=C(O)[C@@H]1CCNC1 MCULE-4868292658 [0,1,0,1,0,0|0,0,2]=4 2553 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1547472283 [0,1,0,1,0,0|0,0,2]=4 2554 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1876089066 [0,1,0,1,0,0|0,0,2]=4 2555 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-1926856350 [0,1,0,1,0,0|0,0,2]=4 2556 B8R1.7 O=C(O)[C@@H]1COCN1 MCULE-9876695932 [0,1,0,1,0,0|0,0,2]=4 2557 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-4243406881 [0,1,0,1,0,0|0,0,2]=4 2558 B8R1.7 O=C(O)[C@@H]1CSCN1 MCULE-6343154165 [0,1,0,1,0,0|0,0,2]=4 2559 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-2145380755 [0,1,0,1,0,0|0,0,1]=3 2560 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-5768283844 [0,1,0,1,0,0|0,0,1]=3 2561 B8R1.7 O=C(O)[C@H]1C=CCN1 MCULE-8522372891 [0,1,0,1,0,0|0,0,1]=3 2562 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,1,0,1,0,0|0,0,2]=4 2563 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,1,0,1,0,0|0,0,2]=4 2564 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2003400674 [0,1,0,1,0,0|0,0,2]=4 2565 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-2851087395 [0,1,0,1,0,0|0,0,2]=4 2566 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7223432888 [0,1,0,1,0,0|0,0,2]=4 2567 B8R1.7 O=C(O)[C@H]1CCNC1 MCULE-7610384670 [0,1,0,1,0,0|0,0,2]=4 2568 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-6095527710 [0,1,0,1,0,0|0,0,2]=4 2569 B8R1.7 O=C(O)[C@H]1CSCN1 MCULE-9117444908 [0,1,0,1,0,0|0,0,2]=4 2570 B8R1.19 CC1(CCOC1=O)N MCULE-5332143573 [0,1,0,1,0,0|0,0,2]=4 2571 B8R1.19 CC1(CCOC1=O)N MCULE-6557455932 [0,1,0,1,0,0|0,0,2]=4 2572 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,1,0,1,0,0|1,0,1]=4 2573 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,1,0,1,0,0|0,0,2]=4 2574 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,1,0,1,0,0|0,0,2]=4 2575 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,1,0,1,0,0|0,0,2]=4 2576 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,1,0,1,0,0|1,0,1]=4 2577 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,1,0,1,0,0|1,0,1]=4 2578 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,1,0,1,0,0|1,0,1]=4 2579 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,1,0,1,0,0|1,0,1]=4 2580 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,1,0,1,0,0|1,0,1]=4 2581 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [0,1,0,1,0,0|0,0,2]=4 2582 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [0,1,0,1,0,0|1,0,1]=4 2583 B8R1.54 CC(=C1CC1)C(=O)O MCULE-5864255450 [0,1,0,1,0,0|1,0,0]=3 2584 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [0,1,0,1,0,0|0,0,2]=4 2585 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [0,1,0,1,0,0|0,0,2]=4 2586 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [0,1,0,1,0,0|0,0,2]=4 2587 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [0,1,0,1,0,0|0,0,2]=4 2588 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [0,1,0,1,0,0|0,0,2]=4 2589 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [0,1,0,1,0,0|0,0,2]=4 2590 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [0,1,0,1,0,0|1,0,1]=4 2591 B8R1.78 NC1(CCC1)C(=O)O MCULE-7741753062 [0,1,0,1,0,0|0,0,2]=4 2592 B8R1.78 NC1(CCC1)C(=O)O MCULE-8986168461 [0,1,0,1,0,0|0,0,2]=4 2593 B8R1.78 NC1(CNC1)C(=O)O MCULE-1078717796 [0,1,0,1,0,0|0,0,2]=4 2594 B8R1.78 NC1(CNC1)C(=O)O MCULE-1597584418 [0,1,0,1,0,0|0,0,2]=4 2595 B8R1.78 NC1(COC1)C(=O)O MCULE-2048452241 [0,1,0,1,0,0|0,0,2]=4 2596 B8R1.78 NC1(CSC1)C(=O)O MCULE-3865165435 [0,1,0,1,0,0|0,0,2]=4 2597 B8R1.78 NC1(CSC1)C(=O)O MCULE-7335919130 [0,1,0,1,0,0|0,0,2]=4 2598 B8R1.11 CC1=C(C=CO1)CN MCULE-5251282165 [0,1,0,1,0,0|1,0,1]=4 2599 B8R1.11 CC1=C(C=NO1)CN MCULE-4622783050 [0,1,0,1,0,0|2,0,0]=4 2600 B8R1.11 CC1=C(C=NO1)CN MCULE-5966223826 [0,1,0,1,0,0|2,0,0]=4 2601 B8R1.11 CC1=C(OC=C1)C=O MCULE-1514039689 [0,1,0,1,0,0|1,0,1]=4 2602 B8R1.11 CCC1=C(C=NO1)N MCULE-1961693700 [0,1,0,1,0,0|2,0,0]=4 2603 B8R1.11 CCC1=C(C=NO1)N MCULE-4676999082 [0,1,0,1,0,0|2,0,0]=4 2604 B8R1.11 COC1=C(C=CS1)N MCULE-9226565552 [0,1,0,1,0,0|0,1,1]=4 2605 B8R1.11 COC1=CCCC1=O MCULE-2849263860 [0,1,0,1,0,0|2,0,0]=4 2606 B8R1.11 COC1=CSC=C1N MCULE-4282092840 [0,1,0,1,0,0|2,0,0]=4 2607 B8R1.11 COC1=CSC=C1N MCULE-7349117900 [0,1,0,1,0,0|2,0,0]=4 2608 B8R1.11 COC1=NSC=C1N MCULE-2563372952 [0,1,0,1,0,0|2,0,0]=4 2609 B8R1.11 COC1=NSC=C1N MCULE-9679965730 [0,1,0,1,0,0|2,0,0]=4 2610 B8R1.11 NC1=C(OC=C1)C=O MCULE-6101864021 [0,1,0,1,0,0|0,0,1]=3 2611 B8R1.11 NC1=C(SC=C1)C=O MCULE-1516736026 [0,1,0,1,0,0|0,1,1]=4 2612 B8R1.11 NC1=C(SC=C1)CO MCULE-6189940771 [0,1,0,1,0,0|0,1,1]=4 2613 B8R1.11 NCC1CCOC1=O MCULE-5843107965 [0,1,0,1,0,0|0,0,2]=4 2614 B8R1.11 NCC1CCOC1=O MCULE-6077637171 [0,1,0,1,0,0|0,0,2]=4 2615 B8R1.11 NOC1CCOC1=O MCULE-1912651031 [0,1,0,1,0,0|0,0,2]=4 2616 B8R1.11 O=C1CCC=C1CO MCULE-5949194155 [0,1,0,1,0,0|2,0,0]=4 2617 B8R1.11 O=C1OCCC1=NO MCULE-1241579763 [0,1,0,1,0,0|0,0,2]=4 2618 B8R1.11 O=CC1=C(C=CO1)Br MCULE-1671937378 [0,1,0,1,0,0|1,0,1]=4 2619 B8R1.11 O=CC1=C(C=CO1)Cl MCULE-3043496531 [0,1,0,1,0,0|1,0,1]=4 2620 B8R1.25 NC1=C(C(=O)C1=O)N MCULE-4129663118 [0,1,0,1,0,0|1,0,1]=4 2621 B8R1.25 NC1=C(C(=O)C1=O)O MCULE-8486046042 [0,1,0,1,0,0|1,0,0]=3 2622 B8R1.25 O=C1C(=O)C(=C1O)O MCULE-1517845681 [0,1,0,1,0,0|2,0,0]=4 2623 B8R1.25 O=C1C(=O)C(C1=O)O MCULE-5071661514 [0,1,0,1,0,0|2,0,0]=4 2624 B8R1.38 C1(CCN1)C(=O)OC MCULE-4001628620 [0,1,0,1,0,0|0,0,2]=4 2625 B8R1.38 C1(CCN1)C(=O)OC MCULE-6304194058 [0,1,0,1,0,0|0,0,2]=4 2626 B8R1.38 COC(=O)C1=CCC1 MCULE-5016158090 [0,1,0,1,0,0|1,0,0]=3 2627 B8R1.38 COC(=O)C1CCN1 MCULE-2766647683 [0,1,0,1,0,0|0,0,2]=4 2628 B8R1.38 COC(=O)C1CCN1 MCULE-6440918459 [0,1,0,1,0,0|0,0,2]=4 2629 B8R1.38 COC(=O)C1CCN1 MCULE-6964468849 [0,1,0,1,0,0|0,0,2]=4 2630 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-4539844768 [0,1,0,1,0,0|0,0,2]=4 2631 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-5257592845 [0,1,0,1,0,0|0,0,2]=4 2632 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-7483834256 [0,1,0,1,0,0|0,0,2]=4 2633 B8R1.38 COC(=O)[C@@H]1CCN1 MCULE-7502882004 [0,1,0,1,0,0|0,0,2]=4 2634 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-1944761309 [0,1,0,1,0,0|0,0,2]=4 2635 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-2075005250 [0,1,0,1,0,0|0,0,2]=4 2636 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-5626630564 [0,1,0,1,0,0|0,0,2]=4 2637 B8R1.38 COC(=O)[C@H]1CCN1 MCULE-8309542560 [0,1,0,1,0,0|0,0,2]=4 2638 B8R1.39 COC(=O)C1(CC1)N MCULE-7742849761 [0,1,0,1,0,0|0,0,2]=4 2639 B8R1.39 COC(=O)C1(CC1)N MCULE-8414845491 [0,1,0,1,0,0|0,0,2]=4 2640 B8R1.50 CC1=C(C(=NN1)O)Cl MCULE-4807754102 [0,1,0,1,0,0|2,0,0]=4 2641 B8R1.50 CC1=C(C(=NO1)Br)C MCULE-8310925987 [0,1,0,1,0,0|2,0,0]=4 2642 B8R1.50 CC1=C(C(=NO1)Cl)C MCULE-8848568793 [0,1,0,1,0,0|2,0,0]=4 2643 B8R1.50 CC1=C(C(=NO1)N)Br MCULE-3638177234 [0,1,0,1,0,0|2,0,0]=4 2644 B8R1.50 CC1=C(C(=NO1)N)C MCULE-9656458407 [0,1,0,1,0,0|2,0,0]=4 2645 B8R1.50 CC1=C(C(=NO1)N)Cl MCULE-1148995587 [0,1,0,1,0,0|2,0,0]=4 2646 B8R1.50 CC1=C(C(=NO1)O)Br MCULE-8811281244 [0,1,0,1,0,0|1,0,1]=4 2647 B8R1.50 CC1=C(C(=NO1)O)C MCULE-4287762482 [0,1,0,1,0,0|1,0,1]=4 2648 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [0,1,0,1,0,0|2,0,0]=4 2649 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [0,1,0,1,0,0|2,0,0]=4 2650 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [0,1,0,1,0,0|1,0,1]=4 2651 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [0,1,0,1,0,0|1,0,1]=4 2652 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,1,0,1,0,0|1,0,0]=3 2653 B8R1.50 CC1=C(C(=O)N=N1)C MCULE-5610678748 [0,1,0,1,0,0|2,0,0]=4 2654 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [0,1,0,1,0,0|2,0,0]=4 2655 B8R1.50 CC1=C(C(=O)NN1)Br MCULE-1547416734 [0,1,0,1,0,0|2,0,0]=4 2656 B8R1.50 CC1=C(C(=O)NN1)N MCULE-2893871378 [0,1,0,1,0,0|1,0,0]=3 2657 B8R1.50 CC1=C(C(=O)NN1)N MCULE-8633976044 [0,1,0,1,0,0|1,0,0]=3 2658 B8R1.50 CC1=C(C(=O)NO1)Cl MCULE-8820928279 [0,1,0,1,0,0|1,0,0]=3 2659 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,1,0,1,0,0|1,0,0]=3 2660 B8R1.50 CC1=C(C(=O)SC1)O MCULE-2081484623 [0,1,0,1,0,0|1,1,0]=4 2661 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [0,1,0,1,0,0|2,0,0]=4 2662 B8R1.50 CC1=C(COC1=O)Br MCULE-6953448957 [0,1,0,1,0,0|1,0,0]=3 2663 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,1,0,1,0,0|1,0,0]=3 2664 B8R1.50 CC1=C(OCC1=O)O MCULE-1835077768 [0,1,0,1,0,0|1,0,1]=4 2665 B8R1.50 CC1=CSC(=C1N)C MCULE-1481066573 [0,1,0,1,0,0|1,1,0]=4 2666 B8R1.50 CC1=CSC(=C1N)C MCULE-6188273510 [0,1,0,1,0,0|1,1,0]=4 2667 B8R1.50 CC1=CSC(=C1N)Cl MCULE-3294430733 [0,1,0,1,0,0|1,1,0]=4 2668 B8R1.50 CC1=CSC(=C1N)Cl MCULE-9252802974 [0,1,0,1,0,0|1,1,0]=4 2669 B8R1.50 CC1=NNC(=C1C)O MCULE-1837524155 [0,1,0,1,0,0|2,0,0]=4 2670 B8R1.50 CC1=NNC(=C1N)C MCULE-1609172181 [0,1,0,1,0,0|2,0,0]=4 2671 B8R1.50 CC1=NNC(=C1N)C MCULE-3544439246 [0,1,0,1,0,0|2,0,0]=4 2672 B8R1.50 CC1=NNC(=C1N)C MCULE-7191760169 [0,1,0,1,0,0|2,0,0]=4 2673 B8R1.50 CC1=NNC(=C1N)Cl MCULE-7102017736 [0,1,0,1,0,0|2,0,0]=4 2674 B8R1.50 CC1=NNC(=C1N)N MCULE-5572064442 [0,1,0,1,0,0|2,0,0]=4 2675 B8R1.50 CC1=NNC(=C1N)N MCULE-6900057368 [0,1,0,1,0,0|2,0,0]=4 2676 B8R1.50 CC1=NOC(=C1Br)C MCULE-9679807815 [0,1,0,1,0,0|2,0,0]=4 2677 B8R1.50 CC1=NOC(=C1Br)N MCULE-2742842443 [0,1,0,1,0,0|2,0,0]=4 2678 B8R1.50 CC1=NOC(=C1C)N MCULE-9922905512 [0,1,0,1,0,0|2,0,0]=4 2679 B8R1.50 CC1=NOC(=C1Cl)C MCULE-9639083177 [0,1,0,1,0,0|2,0,0]=4 2680 B8R1.50 CC1=NOC(=C1Cl)N MCULE-5692188276 [0,1,0,1,0,0|2,0,0]=4 2681 B8R1.50 CC1=NOC(=C1I)C MCULE-1912492931 [0,1,0,1,0,0|2,0,0]=4 2682 B8R1.50 CC1=NOC(=C1N)C MCULE-5573559655 [0,1,0,1,0,0|1,0,0]=3 2683 B8R1.50 CC1=NOC(=C1N)C MCULE-6577674457 [0,1,0,1,0,0|1,0,0]=3 2684 B8R1.50 CC1=NOC(=C1O)C MCULE-1389073754 [0,1,0,1,0,0|2,0,0]=4 2685 B8R1.50 CC1=NOC(=O)C1C MCULE-6668573558 [0,1,0,1,0,0|1,0,1]=4 2686 B8R1.50 CC1=NSC(=C1N)C MCULE-6149591417 [0,1,0,1,0,0|1,1,0]=4 2687 B8R1.50 CC1=NSC(=C1N)C MCULE-7187756082 [0,1,0,1,0,0|1,1,0]=4 2688 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,1,0,0|1,0,1]=4 2689 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,1,0,0|2,0,0]=4 2690 B8R1.50 NC1=NNC(=C1N)O MCULE-8953815081 [0,1,0,1,0,0|2,0,0]=4 2691 B8R1.50 NC1CCN(C1=O)O MCULE-3774736319 [0,1,0,1,0,0|0,0,2]=4 2692 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [0,1,0,1,0,0|2,0,0]=4 2693 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [0,1,0,1,0,0|2,0,0]=4 2694 B8R1.50 NN1C(=O)CNC1=O MCULE-3172416594 [0,1,0,1,0,0|2,0,0]=4 2695 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-1260256164 [0,1,0,1,0,0|0,0,2]=4 2696 B8R1.50 N[C@@H]1CCN(C1=O)O MCULE-9067133595 [0,1,0,1,0,0|0,0,2]=4 2697 B8R1.50 N[C@H]1CCN(C1=O)O MCULE-1056806464 [0,1,0,1,0,0|0,0,2]=4 2698 B8R1.50 O=C1CCC(=C1F)O MCULE-4719137849 [0,1,0,1,0,0|2,0,0]=4 2699 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,1,0,1,0,0|1,0,1]=4 2700 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,1,0,1,0,0|1,0,1]=4 2701 B8R1.50 O=C1OCC(=C1Br)Br MCULE-4636963042 [0,1,0,1,0,0|1,0,0]=3 2702 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,1,0,1,0,0|1,0,0]=3 2703 B8R1.50 O=C1OCC(=C1Cl)Cl MCULE-1730099484 [0,1,0,1,0,0|1,0,0]=3 2704 B8R1.50 [NH3+]C1=C(C(=O)NN1)N MCULE-6101059606 [0,1,0,1,0,0|2,0,0]=4 2705 B8R1.63 CNC1(CC1)C(=O)O MCULE-3174431935 [0,1,0,1,0,0|0,0,2]=4 2706 B8R1.63 CNC1(CC1)C(=O)O MCULE-5558985564 [0,1,0,1,0,0|0,0,2]=4 2707 B8R1.63 NCC1(CC1)C(=O)O MCULE-1804159571 [0,1,0,1,0,0|0,0,2]=4 2708 B8R1.63 NCC1(CC1)C(=O)O MCULE-4552998222 [0,1,0,1,0,0|0,0,2]=4 2709 B8R0.9 C(=CC(=O)NC)C(=O)O MCULE-6946307549 [0,0,0,0,0,2|2,0,0]=4 2710 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,0,0,0,0,2|1,0,1]=4 2711 B8R0.9 C=CC(=O)NCC(=O)O MCULE-6459513586 [0,0,0,0,0,2|1,0,1]=4 2712 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,0,0,0,0,2|0,0,2]=4 2713 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,0,0,0,0,2|0,0,2]=4 2714 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,0,0,0,0,2|0,0,2]=4 2715 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,0,0,0,0,2|0,0,2]=4 2716 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,0,0,0,0,2|0,0,2]=4 2717 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,0,0,0,0,2|1,0,0]=3 2718 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,0,0,0,0,2|1,0,1]=4 2719 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,0,0,0,0,2|1,0,1]=4 2720 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,0,0,0,0,2|1,0,1]=4 2721 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,0,0,0,0,2|1,0,1]=4 2722 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,0,0,0,0,2|0,0,2]=4 2723 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,0,0,0,0,2|0,0,2]=4 2724 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,0,0,0,0,2|0,0,2]=4 2725 B8R0.9 CNC(=O)/C=C\C(=O)O MCULE-9272095560 [0,0,0,0,0,2|2,0,0]=4 2726 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,0,0,0,0,2|2,0,0]=4 2727 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,0,0,0,0,2|2,0,0]=4 2728 B8R0.9 COC(=O)/C=C/C(=O)O MCULE-6611318809 [0,0,0,0,0,2|2,0,0]=4 2729 B8R0.9 COC(=O)/C=C\C(=O)O MCULE-6268249504 [0,0,0,0,0,2|2,0,0]=4 2730 B8R0.9 COC(=O)C=CC(=O)O MCULE-3111892186 [0,0,0,0,0,2|2,0,0]=4 2731 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,0,0,0,0,2|2,0,0]=4 2732 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,0,0,0,0,2|2,0,0]=4