0 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,0,0|1,0,2]=3 2 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,0,0|0,0,2]=2 3 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,0,0,0,0,0|2,0,0]=2 4 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,0,0|3,0,0]=3 6 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,0,0|2,0,2]=4 7 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,0,0|1,0,2]=3 8 B6R0.2 CC(=CB(O)O)C MCULE-5305023524 [0,0,0,0,0,0|1,0,3]=4 9 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,0,0|1,0,2]=3 10 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,0,0|1,0,2]=3 11 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,0,0|0,0,2]=2 12 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,0,0|1,0,2]=3 13 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,0,0|1,0,2]=3 15 B6R0.2 CC(=CC(C)C)C MCULE-5460531772 [0,0,0,0,0,0|2,0,1]=3 16 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,0,0,0,0,0|1,0,3]=4 17 B6R0.2 CC(=CN(=O)=O)C MCULE-7745125648 [0,0,0,0,0,0|1,0,3]=4 18 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [0,0,0,0,0,0|3,0,0]=3 20 B6R0.2 CC(=NN(C)C)C MCULE-6010928278 [0,0,0,0,0,0|4,0,0]=4 21 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,0,0|2,0,2]=4 22 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,0,0|2,0,2]=4 23 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,0,0|2,0,2]=4 24 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,0,0|2,0,2]=4 25 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,0,0|1,0,2]=3 26 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,0,0|2,0,2]=4 27 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,0,0|2,0,2]=4 28 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,0,0|2,0,1]=3 30 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,0,0|2,0,1]=3 31 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,0,0|1,0,1]=2 32 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,0,0|1,0,2]=3 33 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,0,0|1,0,2]=3 34 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,0,0,0,0|1,0,0]=1 35 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,0,0|2,0,0]=2 36 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,0,0|2,0,0]=2 37 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,0,0|2,0,0]=2 38 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,0,0,0,0|2,0,2]=4 39 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,0,0,0,0|2,0,0]=2 40 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,0,0|2,0,0]=2 41 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,0,0|2,0,0]=2 42 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,0,0,0,0,0|2,0,0]=2 45 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,0,0,0,0,0|3,0,0]=3 46 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,0,0,0,0,0|3,0,0]=3 47 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,0,0|3,0,1]=4 48 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,0,0,0,0,0|3,0,0]=3 49 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,0,0,0,0,0|2,0,0]=2 50 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,0,0,0,0,0|3,0,0]=3 51 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,0,0|3,0,1]=4 52 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,0,0|2,0,2]=4 54 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,0,0|1,0,0]=1 55 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,0,0,0,0,0|2,1,0]=3 56 B6R0.2 CC(Br)CC(C)Br MCULE-1139583334 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [0,0,0,0,0,0|1,0,1]=2 58 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,0,0,0,0,0|2,0,0]=2 59 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,0,0,0,0,0|2,0,0]=2 60 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,0,0,0,0,0|1,0,0]=1 62 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,0,0,0,0|1,0,0]=1 63 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,0,0|0,0,0]=0 64 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,0,0,0,0,0|1,1,0]=2 65 B6R0.2 CC(C)CC(C)Br MCULE-1549882864 [0,0,0,0,0,0|2,0,1]=3 66 B6R0.2 CC(C)CC(C)C MCULE-1646863110 [0,0,0,0,0,0|2,0,1]=3 67 B6R0.2 CC(C)CC(C)I MCULE-6965017338 [0,0,0,0,0,0|2,0,1]=3 68 B6R0.2 CC(C)CC(C)N MCULE-1144229692 [0,0,0,0,0,0|2,0,1]=3 69 B6R0.2 CC(C)CC(C)N MCULE-5992377656 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,0,0,0,0,0|1,0,1]=2 71 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [0,0,0,0,0,0|1,0,1]=2 72 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [0,0,0,0,0,0|1,0,1]=2 73 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [0,0,0,0,0,0|1,0,1]=2 74 B6R0.2 CC(C)C[C@@H](C)N MCULE-5902933285 [0,0,0,0,0,0|2,0,1]=3 75 B6R0.2 CC(C)C[C@@H](C)N MCULE-7208228535 [0,0,0,0,0,0|2,0,1]=3 76 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,0,0,0,0,0|1,0,1]=2 77 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,0,0,0,0,0|1,0,1]=2 78 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [0,0,0,0,0,0|3,0,0]=3 79 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [0,0,0,0,0,0|3,0,0]=3 80 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [0,0,0,0,0,0|3,0,0]=3 81 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [0,0,0,0,0,0|3,0,0]=3 82 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,0,0,0,0,0|2,0,0]=2 83 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [0,0,0,0,0,0|2,1,0]=3 84 B6R0.2 CC(C)NC(C)C MCULE-4201618834 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.2 CC(C)NC(C)C MCULE-4622359369 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.2 CC(C)NC(C)C MCULE-6982639198 [0,0,0,0,0,0|3,0,1]=4 87 B6R0.2 CC(C)NC(C)C MCULE-8645161809 [0,0,0,0,0,0|3,0,1]=4 88 B6R0.2 CC(C)NC(C)C MCULE-9048109449 [0,0,0,0,0,0|3,0,1]=4 89 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,0,0,0,0,0|3,0,0]=3 90 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,0,0,0,0,0|3,0,0]=3 91 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,0,0,0,0,0|2,0,0]=2 92 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,0,0,0,0,0|2,0,0]=2 93 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [0,0,0,0,0,0|1,2,0]=3 94 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [0,0,0,0,0,0|1,2,0]=3 95 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [0,0,0,0,0,0|1,2,0]=3 96 B6R0.2 CC(C)OC(C)C MCULE-2250230766 [0,0,0,0,0,0|3,0,1]=4 97 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [0,0,0,0,0,0|2,0,1]=3 98 B6R0.2 CC(C)PC(C)C MCULE-7216494966 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.2 CC(C)SC(=N)N MCULE-1974434339 [0,0,0,0,0,0|3,0,0]=3 100 B6R0.2 CC(C)SC(=N)N MCULE-3570639733 [0,0,0,0,0,0|3,0,0]=3 101 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,0,0,0,0,0|2,0,0]=2 102 B6R0.2 CC(C)SC(C)C MCULE-4851334832 [0,0,0,0,0,0|3,0,1]=4 103 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,0,0,0,0,0|2,0,0]=2 104 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,0,0|1,0,0]=1 105 B6R0.2 CC(Cl)CN(C)C MCULE-6738916847 [0,0,0,0,0,0|3,0,1]=4 106 B6R0.2 CC(Cl)CN(C)C MCULE-7074789151 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,0,0,0,0,0|3,0,0]=3 108 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,0,0|1,0,0]=1 109 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,0,0|2,0,0]=2 110 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,0,0|2,0,0]=2 111 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,0,0|1,0,0]=1 112 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,0,0|1,0,0]=1 113 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,0,0|1,0,0]=1 114 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,0,0|1,0,0]=1 115 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,0,0,0,0,0|2,0,1]=3 116 B6R0.2 CC(N)CC(F)F MCULE-9211292557 [0,0,0,0,0,0|3,0,1]=4 117 B6R0.2 CC(N)CC(F)F MCULE-9693935594 [0,0,0,0,0,0|3,0,1]=4 118 B6R0.2 CC(N)CN(C)C MCULE-4834268309 [0,0,0,0,0,0|3,0,1]=4 119 B6R0.2 CC(N)CN(C)C MCULE-9601630435 [0,0,0,0,0,0|3,0,1]=4 120 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,0,0,0,0,0|3,0,0]=3 121 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,0,0|2,0,0]=2 122 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,0,0|1,0,0]=1 123 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,0,0|1,0,0]=1 124 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,0,0|1,0,1]=2 125 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,0,0|1,0,1]=2 126 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,0,0,0,0,0|2,0,1]=3 127 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,0,0,0,0,0|2,0,1]=3 128 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [0,0,0,0,0,0|2,0,1]=3 129 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [0,0,0,0,0,0|2,0,1]=3 130 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,0,0,0,0,0|3,0,1]=4 131 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,0,0,0,0,0|3,0,0]=3 132 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,0,0,0,0,0|2,0,0]=2 133 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,0,0,0,0,0|2,0,0]=2 134 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,0,0,0,0|2,0,0]=2 135 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,0,0|1,0,0]=1 136 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,0,0|1,0,0]=1 137 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,0,0,0,0,0|1,0,1]=2 138 B6R0.2 CN(C)CC(=S)N MCULE-3863789639 [0,0,0,0,0,0|2,1,0]=3 139 B6R0.2 CN(C)CC(=S)N MCULE-8756068308 [0,0,0,0,0,0|2,1,0]=3 140 B6R0.2 CN(C)CN(C)C MCULE-3005702067 [0,0,0,0,0,0|4,0,0]=4 141 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,0,0,0,0,0|3,0,0]=3 142 B6R0.2 CP(C)CP(C)C MCULE-8035066175 [0,0,0,0,0,0|4,0,0]=4 143 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,0,0|1,0,0]=1 144 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,0,0|1,0,0]=1 145 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,0,0|1,0,0]=1 146 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,0,0|1,0,0]=1 147 B6R0.2 C[C@@H](N)CN(C)C MCULE-2034828409 [0,0,0,0,0,0|3,0,1]=4 148 B6R0.2 C[C@@H](N)CN(C)C MCULE-2147556460 [0,0,0,0,0,0|3,0,1]=4 149 B6R0.2 C[C@@H](N)CN(C)C MCULE-6097836560 [0,0,0,0,0,0|3,0,1]=4 150 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,0,0|1,0,0]=1 151 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,0,0|1,0,0]=1 152 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,0,0|1,0,1]=2 153 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,0,0|1,0,1]=2 154 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [0,0,0,0,0,0|2,0,1]=3 155 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [0,0,0,0,0,0|2,0,1]=3 156 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,0,0,0,0,0|2,0,1]=3 157 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,0,0,0,0,0|2,0,1]=3 158 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,0,0,0,0,0|2,0,1]=3 159 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,0,0|1,0,0]=1 160 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,0,0|1,0,0]=1 161 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,0,0|1,0,0]=1 162 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,0,0|1,0,0]=1 163 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,0,0|1,0,0]=1 164 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,0,0|1,0,0]=1 165 B6R0.2 C[C@H](N)CN(C)C MCULE-2526118342 [0,0,0,0,0,0|3,0,1]=4 166 B6R0.2 C[C@H](N)CN(C)C MCULE-3902055308 [0,0,0,0,0,0|3,0,1]=4 167 B6R0.2 C[C@H](N)CN(C)C MCULE-4292583182 [0,0,0,0,0,0|3,0,1]=4 168 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,0,0|1,0,0]=1 169 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,0,0|1,0,0]=1 170 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,0,0|1,0,1]=2 171 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,0,0|1,0,1]=2 172 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [0,0,0,0,0,0|2,0,1]=3 173 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [0,0,0,0,0,0|2,0,1]=3 174 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,0,0,0,0,0|2,0,1]=3 175 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,0,0,0,0,0|2,0,1]=3 176 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,0,0,0,0,0|1,0,1]=2 177 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,0,0,0,0,0|1,0,1]=2 178 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,0,0|3,0,1]=4 179 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,0,0|3,0,1]=4 180 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,0,0|3,0,1]=4 181 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,0,0|2,0,1]=3 182 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,0,0|3,0,1]=4 183 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,0,0|4,0,0]=4 184 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,0,0|4,0,0]=4 185 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,0,0|2,0,0]=2 186 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,0,0|2,0,0]=2 187 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,0,0|3,0,1]=4 188 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,0,0|2,0,2]=4 189 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,0,0|2,0,2]=4 190 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,0,0|3,0,0]=3 191 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,0,0|2,0,1]=3 192 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,0,0|2,0,0]=2 193 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,0,0|3,0,0]=3 194 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,0,0|2,0,2]=4 195 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,0,0|2,0,2]=4 196 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,0,0,0,0,0|3,0,1]=4 197 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [0,0,0,0,0,0|2,0,1]=3 198 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [0,0,0,0,0,0|2,0,1]=3 199 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,0,0,0,0|0,0,2]=3 200 B5R0.1 C#CCC(C)C MCULE-2506063278 [1,0,0,0,0,0|1,0,1]=3 201 B5R0.1 C#CCC(C)N MCULE-1523044787 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.1 C#CCC(C)N MCULE-3399522488 [1,0,0,0,0,0|2,0,1]=4 203 B5R0.1 C#CCC(C)O MCULE-2487589857 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.1 C#CCN(C)C MCULE-1589925874 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.1 C(C)(N)CCC MCULE-4800297905 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.1 C(C)(N)CCC MCULE-7674864567 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,0,0,0,0,0|1,0,1]=3 208 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,0,0,0,0|1,0,2]=4 209 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,0,0,0,0|1,0,2]=4 210 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|1,0,2]=4 211 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|0,0,2]=3 212 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [1,0,0,0,0,0|1,0,1]=3 213 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,0,0,0,0,0|2,0,1]=4 214 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [1,0,0,0,0,0|3,0,0]=4 215 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,0,0,0,0|3,0,0]=4 216 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.1 C=C(C)CCBr MCULE-3439794005 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,0,0,0,0|2,0,0]=3 219 B5R0.1 C=C(C)CCCl MCULE-2816016781 [1,0,0,0,0,0|3,0,0]=4 220 B5R0.1 C=C(C)CCI MCULE-6317205481 [1,0,0,0,0,0|3,0,0]=4 221 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,0,0,0,0|3,0,0]=4 222 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,0,0,0,0|3,0,0]=4 223 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,0,0,0,0|0,0,3]=4 224 B5R0.1 C=C(C)CNC MCULE-6783886553 [1,0,0,0,0,0|3,0,0]=4 225 B5R0.1 C=C(C)CNC MCULE-8292313282 [1,0,0,0,0,0|3,0,0]=4 226 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,0,0,0,0,0|3,0,0]=4 227 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,0,0,0,0,0|1,0,2]=4 228 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,0,0,0,0|1,0,2]=4 229 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|1,0,2]=4 230 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|1,0,2]=4 231 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|0,0,2]=3 232 B5R0.1 C=CCC(C)Br MCULE-5638987302 [1,0,0,0,0,0|2,0,0]=3 233 B5R0.1 C=CCC(C)C MCULE-4586731422 [1,0,0,0,0,0|1,0,0]=2 234 B5R0.1 C=CCC(C)N MCULE-5354228552 [1,0,0,0,0,0|2,0,0]=3 235 B5R0.1 C=CCC(C)N MCULE-9454660067 [1,0,0,0,0,0|2,0,0]=3 236 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,0,0,0,0,0|2,0,0]=3 237 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,0,0,0,0,0|2,0,0]=3 238 B5R0.1 C=CCN(C)C MCULE-6958853335 [1,0,0,0,0,0|2,0,0]=3 239 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,0,0,0,0,0|2,0,0]=3 240 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,0,0,0,0,0|2,0,0]=3 241 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [1,0,0,0,0,0|2,0,0]=3 242 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [1,0,0,0,0,0|2,0,0]=3 243 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,0,0,0,0,0|2,0,0]=3 244 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,0,0,0,0,0|2,0,0]=3 245 B5R0.1 C=COC(C)C MCULE-6339383821 [1,0,0,0,0,0|2,0,0]=3 246 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,0,0,0,0|2,0,1]=4 247 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,0,0,0,0|1,0,2]=4 248 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [1,0,0,0,0,0|1,0,2]=4 249 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|0,0,2]=3 250 B5R0.1 CC#CC(C)C MCULE-9841369985 [1,0,0,0,0,0|1,0,2]=4 251 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,0,0,0,0|0,0,2]=3 252 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,0,0,0,0|1,0,2]=4 253 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,0,0,0,0|1,0,2]=4 254 B5R0.1 CC(=CCO)C MCULE-3984123588 [1,0,0,0,0,0|0,0,3]=4 255 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|2,0,1]=4 256 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|2,0,0]=3 257 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|2,0,0]=3 258 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|2,0,0]=3 259 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|2,0,0]=3 260 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|2,0,0]=3 261 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,0,0,0,0|3,0,0]=4 262 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,0,0,0,0|3,0,0]=4 263 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,0,0,0,0|3,0,0]=4 264 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,0,0,0,0,0|3,0,0]=4 265 B5R0.1 CC(Br)CC#N MCULE-6321379216 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.1 CC(Br)CCBr MCULE-1045475402 [1,0,0,0,0,0|2,0,1]=4 267 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [1,0,0,0,0,0|1,0,1]=3 268 B5R0.1 CC(C)C=NO MCULE-9842574696 [1,0,0,0,0,0|1,0,1]=3 269 B5R0.1 CC(C)CC#N MCULE-4346986727 [1,0,0,0,0,0|1,0,1]=3 270 B5R0.1 CC(C)CC=O MCULE-2939497534 [1,0,0,0,0,0|0,0,0]=1 271 B5R0.1 CC(C)CCBr MCULE-7163010428 [1,0,0,0,0,0|1,0,1]=3 272 B5R0.1 CC(C)CCCl MCULE-8360122696 [1,0,0,0,0,0|1,0,1]=3 273 B5R0.1 CC(C)CCCl MCULE-9017922949 [1,0,0,0,0,0|1,0,1]=3 274 B5R0.1 CC(C)CCI MCULE-4934529500 [1,0,0,0,0,0|1,0,1]=3 275 B5R0.1 CC(C)CCN MCULE-3081003576 [1,0,0,0,0,0|1,0,1]=3 276 B5R0.1 CC(C)CCN MCULE-5118782389 [1,0,0,0,0,0|1,0,1]=3 277 B5R0.1 CC(C)CCN MCULE-5217981670 [1,0,0,0,0,0|1,0,1]=3 278 B5R0.1 CC(C)CCN MCULE-6280940933 [1,0,0,0,0,0|1,0,1]=3 279 B5R0.1 CC(C)CCO MCULE-7411270401 [1,0,0,0,0,0|0,0,1]=2 280 B5R0.1 CC(C)CCS MCULE-7115473363 [1,0,0,0,0,0|0,1,1]=3 281 B5R0.1 CC(C)CNN MCULE-6797887001 [1,0,0,0,0,0|2,0,0]=3 282 B5R0.1 CC(C)CNN MCULE-9592971233 [1,0,0,0,0,0|2,0,0]=3 283 B5R0.1 CC(C)CNN MCULE-9725792452 [1,0,0,0,0,0|2,0,0]=3 284 B5R0.1 CC(C)CON MCULE-3476786246 [1,0,0,0,0,0|2,0,0]=3 285 B5R0.1 CC(C)CON MCULE-4450654727 [1,0,0,0,0,0|2,0,0]=3 286 B5R0.1 CC(C)N=C=O MCULE-8392299675 [1,0,0,0,0,0|1,0,1]=3 287 B5R0.1 CC(C)N=C=S MCULE-7689456429 [1,0,0,0,0,0|1,1,1]=4 288 B5R0.1 CC(C)N=N#N MCULE-4920057169 [1,0,0,0,0,0|3,0,0]=4 289 B5R0.1 CC(C)NC=O MCULE-1764010394 [1,0,0,0,0,0|1,0,0]=2 290 B5R0.1 CC(C)OC=O MCULE-8263698122 [1,0,0,0,0,0|1,0,0]=2 291 B5R0.1 CC(C)OCCl MCULE-3680602217 [1,0,0,0,0,0|2,0,1]=4 292 B5R0.1 CC(C)SC#N MCULE-2480992384 [1,0,0,0,0,0|2,0,1]=4 293 B5R0.1 CC(C)SCCl MCULE-3836735379 [1,0,0,0,0,0|2,0,1]=4 294 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [1,0,0,0,0,0|2,0,1]=4 295 B5R0.1 CC(Cl)CCO MCULE-1955496242 [1,0,0,0,0,0|1,0,1]=3 296 B5R0.1 CC(F)CCBr MCULE-3035340901 [1,0,0,0,0,0|2,0,1]=4 297 B5R0.1 CC(F)CCI MCULE-6469250150 [1,0,0,0,0,0|2,0,1]=4 298 B5R0.1 CC(F)CCN MCULE-2805813131 [1,0,0,0,0,0|2,0,1]=4 299 B5R0.1 CC(F)CCN MCULE-5849913362 [1,0,0,0,0,0|2,0,1]=4 300 B5R0.1 CC(N)CC#N MCULE-2350352782 [1,0,0,0,0,0|2,0,1]=4 301 B5R0.1 CC(N)CC#N MCULE-7269201059 [1,0,0,0,0,0|2,0,1]=4 302 B5R0.1 CC(N)CCN MCULE-5308134596 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.1 CC(N)CCN MCULE-5880045507 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.1 CC(N)CCN MCULE-7827515430 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.1 CC(N)CCO MCULE-1771399942 [1,0,0,0,0,0|1,0,1]=3 306 B5R0.1 CC(N)CCO MCULE-7239872808 [1,0,0,0,0,0|1,0,1]=3 307 B5R0.1 CC(O)CC#N MCULE-7172428142 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.1 CC(O)CCBr MCULE-7983169885 [1,0,0,0,0,0|2,0,1]=4 309 B5R0.1 CC(O)CCCl MCULE-2952545606 [1,0,0,0,0,0|2,0,1]=4 310 B5R0.1 CC(O)CCN MCULE-6836791276 [1,0,0,0,0,0|2,0,1]=4 311 B5R0.1 CC(O)CCN MCULE-7186260925 [1,0,0,0,0,0|2,0,1]=4 312 B5R0.1 CC(O)CCO MCULE-1694239851 [1,0,0,0,0,0|1,0,1]=3 313 B5R0.1 CC(O)CCO MCULE-7784884948 [1,0,0,0,0,0|1,0,1]=3 314 B5R0.1 CC(O)CNN MCULE-4956670781 [1,0,0,0,0,0|3,0,0]=4 315 B5R0.1 CC(O)CNN MCULE-7917439573 [1,0,0,0,0,0|3,0,0]=4 316 B5R0.1 CC(O)CON MCULE-1051091134 [1,0,0,0,0,0|3,0,0]=4 317 B5R0.1 CC(O)CON MCULE-6722092589 [1,0,0,0,0,0|3,0,0]=4 318 B5R0.1 CC(S)CCO MCULE-5702212503 [1,0,0,0,0,0|1,0,1]=3 319 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,0,0,0,0|1,0,2]=4 320 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,0,0,0,0|1,0,2]=4 321 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|1,0,2]=4 322 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|0,0,2]=3 323 B5R0.1 CC=CC(C)C MCULE-9898453837 [1,0,0,0,0,0|1,0,1]=3 324 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.1 CC=NN(C)C MCULE-7039280578 [1,0,0,0,0,0|3,0,0]=4 326 B5R0.1 CCC=C(C)C MCULE-2405063894 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.1 CCC=C(F)F MCULE-5180612061 [1,0,0,0,0,0|2,0,1]=4 328 B5R0.1 CCCB(O)O MCULE-4994980798 [1,0,0,0,0,0|1,0,1]=3 329 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,0,0,0,0|2,0,0]=3 330 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,0,0,0,0|2,0,0]=3 331 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|1,0,0]=2 332 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|1,0,0]=2 333 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|1,0,0]=2 334 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|0,0,0]=1 335 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|0,0,1]=2 336 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|0,0,1]=2 337 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,0,0,0,0|1,1,0]=3 338 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|0,1,0]=2 339 B5R0.1 CCCC(C)Br MCULE-3178073667 [1,0,0,0,0,0|2,0,1]=4 340 B5R0.1 CCCC(C)C MCULE-9604552974 [1,0,0,0,0,0|1,0,1]=3 341 B5R0.1 CCCC(C)N MCULE-2640298430 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.1 CCCC(C)N MCULE-7225905167 [1,0,0,0,0,0|2,0,1]=4 343 B5R0.1 CCCC(C)O MCULE-8205906299 [1,0,0,0,0,0|1,0,1]=3 344 B5R0.1 CCCC(C)S MCULE-1649095713 [1,0,0,0,0,0|1,1,1]=4 345 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,0,0,0,0,0|1,0,1]=3 346 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,0,0,0,0|1,0,1]=3 347 B5R0.1 CCCN(C)C MCULE-8702643596 [1,0,0,0,0,0|2,0,1]=4 348 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,0,0,0,0|1,0,1]=3 349 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,0,0,0,0|1,0,1]=3 350 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [1,0,0,0,0,0|2,0,1]=4 351 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [1,0,0,0,0,0|2,0,1]=4 352 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [1,0,0,0,0,0|2,0,1]=4 353 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [1,0,0,0,0,0|2,0,1]=4 354 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,0,0,0,0,0|1,0,1]=3 355 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [1,0,0,0,0,0|2,0,1]=4 356 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [1,0,0,0,0,0|2,0,1]=4 357 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [1,0,0,0,0,0|2,0,1]=4 358 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [1,0,0,0,0,0|2,0,1]=4 359 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,0,0,0,0,0|1,0,1]=3 360 B5R0.1 CCNC(=N)N MCULE-4729418155 [1,0,0,0,0,0|3,0,0]=4 361 B5R0.1 CCNC(=N)N MCULE-5123343071 [1,0,0,0,0,0|3,0,0]=4 362 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|2,0,0]=3 363 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|2,0,0]=3 364 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|2,0,0]=3 365 B5R0.1 CCNC(=S)N MCULE-3849517146 [1,0,0,0,0,0|2,1,0]=4 366 B5R0.1 CCNC(C)C MCULE-8064118469 [1,0,0,0,0,0|2,0,1]=4 367 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,0,0,0,0,0|3,0,0]=4 368 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,0,0,0,0,0|3,0,0]=4 369 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,0,0,0,0,0|3,0,0]=4 370 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,0,0,0,0,0|3,0,0]=4 371 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|2,0,0]=3 372 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|2,0,0]=3 373 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|2,0,0]=3 374 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,0,0,0,0,0|2,1,0]=4 375 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,0,0,0,0,0|2,1,0]=4 376 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [1,0,0,0,0,0|1,2,0]=4 377 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [1,0,0,0,0,0|1,2,0]=4 378 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [1,0,0,0,0,0|1,2,0]=4 379 B5R0.1 CCOC(C)C MCULE-1934548340 [1,0,0,0,0,0|2,0,1]=4 380 B5R0.1 CCSC(=N)N MCULE-2161729152 [1,0,0,0,0,0|3,0,0]=4 381 B5R0.1 CCSC(=N)N MCULE-2547252984 [1,0,0,0,0,0|3,0,0]=4 382 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|2,0,0]=3 383 B5R0.1 CCSC(=S)C MCULE-1502137460 [1,0,0,0,0,0|2,1,0]=4 384 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [1,0,0,0,0,0|1,2,0]=4 385 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [1,0,0,0,0,0|1,2,0]=4 386 B5R0.1 CCSC(C)C MCULE-3738251898 [1,0,0,0,0,0|2,0,1]=4 387 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [1,0,0,0,0,0|3,0,0]=4 388 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [1,0,0,0,0,0|3,0,0]=4 389 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [1,0,0,0,0,0|3,0,0]=4 390 B5R0.1 CN(C)CC#N MCULE-7617361185 [1,0,0,0,0,0|2,0,1]=4 391 B5R0.1 CN(C)CC=O MCULE-1229218563 [1,0,0,0,0,0|1,0,0]=2 392 B5R0.1 CN(C)CC=O MCULE-3577561950 [1,0,0,0,0,0|1,0,0]=2 393 B5R0.1 CN(C)CC=O MCULE-4493766862 [1,0,0,0,0,0|1,0,0]=2 394 B5R0.1 CN(C)CC=O MCULE-8123455398 [1,0,0,0,0,0|1,0,0]=2 395 B5R0.1 CN(C)CCBr MCULE-4844398053 [1,0,0,0,0,0|2,0,1]=4 396 B5R0.1 CN(C)CCCl MCULE-4297554717 [1,0,0,0,0,0|2,0,1]=4 397 B5R0.1 CN(C)CCCl MCULE-4465544992 [1,0,0,0,0,0|2,0,1]=4 398 B5R0.1 CN(C)CCI MCULE-4687894526 [1,0,0,0,0,0|2,0,1]=4 399 B5R0.1 CN(C)CCI MCULE-7464680246 [1,0,0,0,0,0|2,0,1]=4 400 B5R0.1 CN(C)CCI MCULE-9051868668 [1,0,0,0,0,0|2,0,1]=4 401 B5R0.1 CN(C)CCN MCULE-6693759372 [1,0,0,0,0,0|2,0,1]=4 402 B5R0.1 CN(C)CCN MCULE-6929925748 [1,0,0,0,0,0|2,0,1]=4 403 B5R0.1 CN(C)CCN MCULE-7881547574 [1,0,0,0,0,0|2,0,1]=4 404 B5R0.1 CN(C)CCO MCULE-5715813465 [1,0,0,0,0,0|1,0,1]=3 405 B5R0.1 CN(C)CCO MCULE-7567469160 [1,0,0,0,0,0|1,0,1]=3 406 B5R0.1 CN(C)CCO MCULE-9024108074 [1,0,0,0,0,0|1,0,1]=3 407 B5R0.1 CN(C)CCS MCULE-4356815596 [1,0,0,0,0,0|1,1,1]=4 408 B5R0.1 CN(C)CCS MCULE-4611688723 [1,0,0,0,0,0|1,1,1]=4 409 B5R0.1 CN(C)CCS MCULE-6259585517 [1,0,0,0,0,0|1,1,1]=4 410 B5R0.1 CN(C)NC=O MCULE-1557896286 [1,0,0,0,0,0|2,0,0]=3 411 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|2,0,0]=3 412 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|2,0,0]=3 413 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|2,0,0]=3 414 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|2,0,0]=3 415 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|2,0,0]=3 416 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|1,0,0]=2 417 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|1,0,0]=2 418 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|1,0,1]=3 419 B5R0.1 CNCC(C)C MCULE-6582386339 [1,0,0,0,0,0|2,0,0]=3 420 B5R0.1 CNCC(C)C MCULE-6856717783 [1,0,0,0,0,0|2,0,0]=3 421 B5R0.1 CNCC(C)F MCULE-4381138647 [1,0,0,0,0,0|3,0,0]=4 422 B5R0.1 CNCC(C)F MCULE-9018181183 [1,0,0,0,0,0|3,0,0]=4 423 B5R0.1 CNCC(C)O MCULE-3671071529 [1,0,0,0,0,0|2,0,1]=4 424 B5R0.1 CNCC(C)O MCULE-4171705304 [1,0,0,0,0,0|2,0,1]=4 425 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [1,0,0,0,0,0|2,0,1]=4 426 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [1,0,0,0,0,0|2,0,1]=4 427 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [1,0,0,0,0,0|2,0,1]=4 428 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [1,0,0,0,0,0|2,0,1]=4 429 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [1,0,0,0,0,0|2,0,1]=4 430 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [1,0,0,0,0,0|2,0,1]=4 431 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,0,0,0,0|3,0,0]=4 432 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,0,0,0,0|3,0,0]=4 433 B5R0.1 COCC(=N)N MCULE-4711728356 [1,0,0,0,0,0|3,0,0]=4 434 B5R0.1 COCC(=N)N MCULE-7163250467 [1,0,0,0,0,0|3,0,0]=4 435 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|2,0,0]=3 436 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|2,0,0]=3 437 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|2,0,0]=3 438 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|1,0,0]=2 439 B5R0.1 COCC(=S)N MCULE-2046809269 [1,0,0,0,0,0|2,1,0]=4 440 B5R0.1 COCC(C)Br MCULE-6850689931 [1,0,0,0,0,0|3,0,0]=4 441 B5R0.1 COCC(C)I MCULE-8608265714 [1,0,0,0,0,0|3,0,0]=4 442 B5R0.1 COCC(C)N MCULE-1896873634 [1,0,0,0,0,0|3,0,0]=4 443 B5R0.1 COCC(C)N MCULE-2549420211 [1,0,0,0,0,0|3,0,0]=4 444 B5R0.1 COCC(C)N MCULE-3490410444 [1,0,0,0,0,0|3,0,0]=4 445 B5R0.1 COCC(C)N MCULE-7089888882 [1,0,0,0,0,0|3,0,0]=4 446 B5R0.1 COCC(C)O MCULE-4022733014 [1,0,0,0,0,0|2,0,1]=4 447 B5R0.1 COCC(C)O MCULE-7513310960 [1,0,0,0,0,0|2,0,1]=4 448 B5R0.1 COCN(C)C MCULE-1963225930 [1,0,0,0,0,0|3,0,0]=4 449 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [1,0,0,0,0,0|3,0,0]=4 450 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [1,0,0,0,0,0|3,0,0]=4 451 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [1,0,0,0,0,0|3,0,0]=4 452 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [1,0,0,0,0,0|3,0,0]=4 453 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [1,0,0,0,0,0|2,0,1]=4 454 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [1,0,0,0,0,0|2,0,1]=4 455 B5R0.1 COC[C@H](C)N MCULE-2465679418 [1,0,0,0,0,0|3,0,0]=4 456 B5R0.1 COC[C@H](C)N MCULE-2998593539 [1,0,0,0,0,0|3,0,0]=4 457 B5R0.1 COC[C@H](C)N MCULE-3161045661 [1,0,0,0,0,0|3,0,0]=4 458 B5R0.1 COC[C@H](C)N MCULE-9550165578 [1,0,0,0,0,0|3,0,0]=4 459 B5R0.1 COC[C@H](C)O MCULE-5908531683 [1,0,0,0,0,0|2,0,1]=4 460 B5R0.1 COC[C@H](C)O MCULE-8619138238 [1,0,0,0,0,0|2,0,1]=4 461 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,0,0,0,0|3,0,0]=4 462 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,0,0,0,0|3,0,0]=4 463 B5R0.1 CS(=O)CCBr MCULE-7846126230 [1,0,0,0,0,0|3,0,0]=4 464 B5R0.1 CS(=O)CCCl MCULE-7012781505 [1,0,0,0,0,0|3,0,0]=4 465 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,0,0,0,0,0|3,0,0]=4 466 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,0,0,0,0,0|3,0,0]=4 467 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,0,0,0,0,0|3,0,0]=4 468 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|2,0,1]=4 469 B5R0.1 CSCC(=N)N MCULE-7800929509 [1,0,0,0,0,0|3,0,0]=4 470 B5R0.1 CSCC(=N)N MCULE-8499985777 [1,0,0,0,0,0|3,0,0]=4 471 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|2,0,0]=3 472 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|2,0,0]=3 473 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|2,0,0]=3 474 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|1,0,0]=2 475 B5R0.1 CSCC(=S)N MCULE-5029100305 [1,0,0,0,0,0|2,1,0]=4 476 B5R0.1 CSCC(C)N MCULE-7985946030 [1,0,0,0,0,0|3,0,0]=4 477 B5R0.1 CSCC(C)O MCULE-2227652351 [1,0,0,0,0,0|2,0,1]=4 478 B5R0.1 CSCN(C)C MCULE-2931143051 [1,0,0,0,0,0|3,0,0]=4 479 B5R0.1 CSCS(=O)C MCULE-3167702486 [1,0,0,0,0,0|3,0,0]=4 480 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,0,0,0,0|3,0,0]=4 481 B5R0.1 C[C@@H](N)CC#N MCULE-1923686728 [1,0,0,0,0,0|2,0,1]=4 482 B5R0.1 C[C@@H](N)CC#N MCULE-5694530830 [1,0,0,0,0,0|2,0,1]=4 483 B5R0.1 C[C@@H](N)CC#N MCULE-8880445785 [1,0,0,0,0,0|2,0,1]=4 484 B5R0.1 C[C@@H](N)CC#N MCULE-9410509782 [1,0,0,0,0,0|2,0,1]=4 485 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,0,0,0,0,0|1,0,1]=3 486 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,0,0,0,0,0|1,0,1]=3 487 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [1,0,0,0,0,0|2,0,1]=4 488 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [1,0,0,0,0,0|2,0,1]=4 489 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [1,0,0,0,0,0|2,0,1]=4 490 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [1,0,0,0,0,0|2,0,1]=4 491 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [1,0,0,0,0,0|2,0,1]=4 492 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,0,0,0,0,0|1,0,1]=3 493 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,0,0,0,0,0|1,0,1]=3 494 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [1,0,0,0,0,0|3,0,0]=4 495 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [1,0,0,0,0,0|3,0,0]=4 496 B5R0.1 C[C@H](N)CC#N MCULE-1876010727 [1,0,0,0,0,0|2,0,1]=4 497 B5R0.1 C[C@H](N)CC#N MCULE-6927344020 [1,0,0,0,0,0|2,0,1]=4 498 B5R0.1 C[C@H](N)CC#N MCULE-9082410813 [1,0,0,0,0,0|2,0,1]=4 499 B5R0.1 C[C@H](N)CC#N MCULE-9498047771 [1,0,0,0,0,0|2,0,1]=4 500 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,0,0,0,0,0|1,0,1]=3 501 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,0,0,0,0,0|1,0,1]=3 502 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,0,0,0,0,0|1,0,1]=3 503 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,0,0,0,0,0|1,0,1]=3 504 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [1,0,0,0,0,0|2,0,1]=4 505 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [1,0,0,0,0,0|2,0,1]=4 506 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [1,0,0,0,0,0|2,0,1]=4 507 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,0,0,0,0,0|1,0,1]=3 508 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,0,0,0,0,0|1,0,1]=3 509 B5R0.1 C[C@H](O)CON MCULE-4216605221 [1,0,0,0,0,0|3,0,0]=4 510 B5R0.1 C[C@H](O)CON MCULE-9863094719 [1,0,0,0,0,0|3,0,0]=4 511 B5R0.1 C[NH+](C)CCBr MCULE-4990293495 [1,0,0,0,0,0|2,0,1]=4 512 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [1,0,0,0,0,0|2,0,1]=4 513 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [1,0,0,0,0,0|2,0,1]=4 514 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|2,0,1]=4 515 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [1,0,0,0,0,0|2,0,1]=4 516 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,0,0,0,0|2,0,1]=4 517 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,0,0,0,0|1,0,1]=3 518 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,0,0,0,0,0|1,0,2]=4 519 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,0,0,0,0,0|1,0,2]=4 520 B5R0.1 N=C(N)CCCl MCULE-2314996365 [1,0,0,0,0,0|3,0,0]=4 521 B5R0.1 N=C(N)CCCl MCULE-3129838313 [1,0,0,0,0,0|3,0,0]=4 522 B5R0.1 N=C(N)CCO MCULE-4567824707 [1,0,0,0,0,0|3,0,0]=4 523 B5R0.1 N=C(N)CCO MCULE-7139693715 [1,0,0,0,0,0|3,0,0]=4 524 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|2,0,0]=3 525 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|2,0,0]=3 526 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|2,0,0]=3 527 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|2,0,0]=3 528 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,0,0,0,0|3,0,0]=4 529 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|2,0,0]=3 530 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|2,0,0]=3 531 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|2,0,0]=3 532 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|1,0,0]=2 533 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|1,0,0]=2 534 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|1,0,0]=2 535 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|1,0,1]=3 536 B5R0.1 NCCN(=O)=O MCULE-8137427440 [1,0,0,0,0,0|2,0,1]=4 537 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|2,0,0]=3 538 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|2,0,0]=3 539 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|3,0,0]=4 540 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|3,0,0]=4 541 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|2,0,0]=3 542 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|2,0,0]=3 543 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|2,0,0]=3 544 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|2,0,0]=3 545 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|2,0,0]=3 546 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|2,0,0]=3 547 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|2,0,0]=3 548 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|2,0,0]=3 549 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,0,0,0,0,0|3,0,0]=4 550 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|1,0,2]=4 551 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|1,0,2]=4 552 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|1,0,2]=4 553 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|1,0,2]=4 554 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|1,0,2]=4 555 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|1,0,2]=4 556 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,0,0,0,0,0|2,0,1]=4 557 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,0,0,0,0,0|1,0,2]=4 558 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|1,0,2]=4 559 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|1,0,2]=4 560 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|1,0,2]=4 561 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,0,0,0,0,0|2,0,1]=4 562 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|1,0,0]=2 563 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|1,0,0]=2 564 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|1,0,0]=2 565 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|1,0,0]=2 566 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|1,0,0]=2 567 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|1,0,0]=2 568 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,0,0,0,0|2,0,0]=3 569 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|1,0,1]=3 570 B5R0.1 O=N(=O)CCO MCULE-2060841405 [1,0,0,0,0,0|2,0,1]=4 571 B5R0.1 O=N(=O)CCS MCULE-4845430658 [1,0,0,0,0,0|2,0,1]=4 572 B5R0.1 OCCC(F)F MCULE-9207688926 [1,0,0,0,0,0|2,0,1]=4 573 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,0,0,0,0,0|1,0,1]=3 574 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [1,0,0,0,0,0|2,0,1]=4 575 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [1,0,0,0,0,0|2,0,1]=4 576 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,0,0,0,0,0|1,0,1]=3 577 B7R0.2 C#CC(=O)OC(C)C MCULE-2260869211 [0,1,0,0,0,0|2,0,0]=3 578 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,1,0,0,0,0|0,0,1]=2 579 B7R0.2 C#CC(O)CC(C)C MCULE-1610080651 [0,1,0,0,0,0|1,0,1]=3 580 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,0|1,0,0]=2 581 B7R0.2 C/C(=C/N(C)C)/C=O MCULE-5191348171 [0,1,0,0,0,0|2,0,1]=4 582 B7R0.2 C/C(=C\N(C)C)/C=O MCULE-4104391160 [0,1,0,0,0,0|2,0,1]=4 583 B7R0.2 C/C(=N\O)/CC(C)C MCULE-1223937315 [0,1,0,0,0,0|1,0,0]=2 584 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [0,1,0,0,0,0|2,0,0]=3 585 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,1,0,0,0,0|3,0,0]=4 586 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [0,1,0,0,0,0|1,0,2]=4 587 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [0,1,0,0,0,0|1,0,0]=2 588 B7R0.2 C=CC(=O)NC(C)C MCULE-1145721543 [0,1,0,0,0,0|2,0,0]=3 589 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [0,1,0,0,0,0|2,0,0]=3 590 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,1,0,0,0,0|0,0,1]=2 591 B7R0.2 C=CC(C)CC(C)C MCULE-9111388336 [0,1,0,0,0,0|2,0,1]=4 592 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [0,1,0,0,0,0|2,0,1]=4 593 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,1,0,0,0,0|1,0,1]=3 594 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,1,0,0,0,0|1,0,1]=3 595 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,1,0,0,0,0|1,0,1]=3 596 B7R0.2 C=CC(O)CC(C)C MCULE-7389371130 [0,1,0,0,0,0|1,0,1]=3 597 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,1,0,0,0,0|0,0,3]=4 598 B7R0.2 CC(=CN(C)C)C=O MCULE-6590049848 [0,1,0,0,0,0|2,0,1]=4 599 B7R0.2 CC(=NO)CC(C)C MCULE-1446840557 [0,1,0,0,0,0|1,0,0]=2 600 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,1,0,0,0,0|2,0,0]=3 601 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,1,0,0,0,0|2,0,0]=3 602 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,1,0,0,0,0|2,0,0]=3 603 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,1,0,0,0,0|2,0,0]=3 604 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,1,0,0,0,0|2,0,0]=3 605 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,1,0,0,0,0|3,0,0]=4 606 B7R0.2 CC(C#N)NC(=O)N MCULE-6628848826 [0,1,0,0,0,0|2,0,1]=4 607 B7R0.2 CC(C)/C=C(\F)/CO MCULE-5089231546 [0,1,0,0,0,0|1,0,1]=3 608 B7R0.2 CC(C)C/C(=N/O)/N MCULE-1815154611 [0,1,0,0,0,0|1,0,0]=2 609 B7R0.2 CC(C)CC(=O)C#N MCULE-7628756423 [0,1,0,0,0,0|1,0,0]=2 610 B7R0.2 CC(C)CC(=O)CBr MCULE-3556695745 [0,1,0,0,0,0|1,0,0]=2 611 B7R0.2 CC(C)CC(=O)CCl MCULE-6858533367 [0,1,0,0,0,0|1,0,0]=2 612 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,1,0,0,0,0|1,0,0]=2 613 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,1,0,0,0,0|1,0,0]=2 614 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [0,1,0,0,0,0|1,0,0]=2 615 B7R0.2 CC(C)CC(Br)C#N MCULE-9662479066 [0,1,0,0,0,0|2,0,1]=4 616 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [0,1,0,0,0,0|1,0,1]=3 617 B7R0.2 CC(C)CC(C)CBr MCULE-6800285380 [0,1,0,0,0,0|2,0,1]=4 618 B7R0.2 CC(C)CC(C)CO MCULE-5856507691 [0,1,0,0,0,0|1,0,1]=3 619 B7R0.2 CC(C)CC(N)C#N MCULE-6709039264 [0,1,0,0,0,0|2,0,1]=4 620 B7R0.2 CC(C)CC(N)C#N MCULE-7842524393 [0,1,0,0,0,0|2,0,1]=4 621 B7R0.2 CC(C)CC(N)CF MCULE-3937400151 [0,1,0,0,0,0|2,0,1]=4 622 B7R0.2 CC(C)CC(N)CF MCULE-7951827838 [0,1,0,0,0,0|2,0,1]=4 623 B7R0.2 CC(C)CC(N)CN MCULE-3441513735 [0,1,0,0,0,0|2,0,1]=4 624 B7R0.2 CC(C)CC(N)CO MCULE-6347344178 [0,1,0,0,0,0|1,0,1]=3 625 B7R0.2 CC(C)CC(N)CO MCULE-7024759986 [0,1,0,0,0,0|1,0,1]=3 626 B7R0.2 CC(C)CC(N)CS MCULE-8932651812 [0,1,0,0,0,0|1,1,1]=4 627 B7R0.2 CC(C)CC(O)C#N MCULE-7308674465 [0,1,0,0,0,0|1,0,1]=3 628 B7R0.2 CC(C)CC(O)CN MCULE-9414833333 [0,1,0,0,0,0|1,0,1]=3 629 B7R0.2 CC(C)CC(O)CN MCULE-9784331526 [0,1,0,0,0,0|1,0,1]=3 630 B7R0.2 CC(C)CN(C)N=O MCULE-1639713023 [0,1,0,0,0,0|2,0,0]=3 631 B7R0.2 CC(C)C[C@@H](N)CBr MCULE-4869966214 [0,1,0,0,0,0|2,0,1]=4 632 B7R0.2 CC(C)C[C@@H](N)CO MCULE-1979401982 [0,1,0,0,0,0|1,0,1]=3 633 B7R0.2 CC(C)C[C@@H](N)CO MCULE-3025407298 [0,1,0,0,0,0|1,0,1]=3 634 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [0,1,0,0,0,0|1,0,1]=3 635 B7R0.2 CC(C)C[C@H](N)CBr MCULE-4224057266 [0,1,0,0,0,0|2,0,1]=4 636 B7R0.2 CC(C)C[C@H](N)CO MCULE-2790872575 [0,1,0,0,0,0|1,0,1]=3 637 B7R0.2 CC(C)C[C@H](N)CO MCULE-9198147139 [0,1,0,0,0,0|1,0,1]=3 638 B7R0.2 CC(C)NC(=O)CBr MCULE-1272363222 [0,1,0,0,0,0|2,0,0]=3 639 B7R0.2 CC(C)NC(=O)CCl MCULE-8342964960 [0,1,0,0,0,0|2,0,0]=3 640 B7R0.2 CC(C)NC(=O)CI MCULE-8316056040 [0,1,0,0,0,0|2,0,0]=3 641 B7R0.2 CC(C)NC(=O)CN MCULE-7188824856 [0,1,0,0,0,0|2,0,0]=3 642 B7R0.2 CC(C)NC(=O)CN MCULE-8867435369 [0,1,0,0,0,0|2,0,0]=3 643 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [0,1,0,0,0,0|1,0,0]=2 644 B7R0.2 CC(C)NC(=S)NN MCULE-9711818578 [0,1,0,0,0,0|2,1,0]=4 645 B7R0.2 CC(C)OC(=O)CBr MCULE-1610339208 [0,1,0,0,0,0|2,0,0]=3 646 B7R0.2 CC(C)OC(=O)CCl MCULE-3017211046 [0,1,0,0,0,0|2,0,0]=3 647 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [0,1,0,0,0,0|2,0,0]=3 648 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [0,1,0,0,0,0|2,0,0]=3 649 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [0,1,0,0,0,0|1,0,0]=2 650 B7R0.2 CC(C)OC(=O)CS MCULE-5298940210 [0,1,0,0,0,0|1,1,0]=3 651 B7R0.2 CC(C)OC(=O)NN MCULE-5311288998 [0,1,0,0,0,0|2,0,0]=3 652 B7R0.2 CC(CBr)CC(F)F MCULE-3122361238 [0,1,0,0,0,0|2,0,1]=4 653 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,1,0,0,0,0|1,0,0]=2 654 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,1,0,0,0,0|1,0,0]=2 655 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,1,0,0,0,0|1,0,0]=2 656 B7R0.2 CC(CCl)CN(C)C MCULE-4809914471 [0,1,0,0,0,0|3,0,0]=4 657 B7R0.2 CC(CCl)CN(C)C MCULE-7169724566 [0,1,0,0,0,0|3,0,0]=4 658 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,0,0,0,0|0,0,0]=1 660 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,0,0,0,0|0,0,0]=1 661 B7R0.2 CC(CN)CC(F)F MCULE-2945792041 [0,1,0,0,0,0|2,0,1]=4 662 B7R0.2 CC(CN)CC(F)F MCULE-5449897456 [0,1,0,0,0,0|2,0,1]=4 663 B7R0.2 CC(CN)CN(C)C MCULE-4741402612 [0,1,0,0,0,0|3,0,0]=4 664 B7R0.2 CC(CO)CC(F)F MCULE-1470130605 [0,1,0,0,0,0|2,0,1]=4 665 B7R0.2 CC(CO)CN(C)C MCULE-3103307387 [0,1,0,0,0,0|2,0,1]=4 666 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,1,0,0,0,0|2,0,0]=3 667 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [0,1,0,0,0,0|1,0,1]=3 668 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,0,0,0,0|0,0,2]=3 669 B7R0.2 CCC(=CC(C)C)C MCULE-7337557698 [0,1,0,0,0,0|2,0,1]=4 670 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,0,0,0,0|2,0,1]=4 671 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,0|1,0,1]=3 672 B7R0.2 CCC(=O)CC(C)C MCULE-8378320990 [0,1,0,0,0,0|1,0,0]=2 673 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [0,1,0,0,0,0|2,0,0]=3 674 B7R0.2 CCC(=O)OC(C)C MCULE-6546381101 [0,1,0,0,0,0|2,0,0]=3 675 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [0,1,0,0,0,0|1,0,1]=3 676 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [0,1,0,0,0,0|2,0,0]=3 677 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [0,1,0,0,0,0|2,0,0]=3 678 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,1,0,0,0,0|1,0,0]=2 679 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,1,0,0,0,0|1,0,0]=2 680 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,1,0,0,0,0|0,0,0]=1 681 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,1,0,0,0,0|0,0,0]=1 682 B7R0.2 CCC(C)CC(C)C MCULE-9492683095 [0,1,0,0,0,0|2,0,1]=4 683 B7R0.2 CCC(C)CC(C)N MCULE-2633957870 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.2 CCC(C)CC(C)N MCULE-5740038174 [0,1,0,0,0,0|2,0,1]=4 685 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,1,0,0,0,0|2,0,0]=3 686 B7R0.2 CCC(C)NC(=S)N MCULE-8856391382 [0,1,0,0,0,0|2,1,0]=4 687 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,1,0,0,0,0|2,0,0]=3 688 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,1,0,0,0,0|2,0,0]=3 689 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,1,0,0,0,0|2,0,0]=3 690 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,1,0,0,0,0|1,0,0]=2 691 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,1,0,0,0,0|1,0,0]=2 692 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,1,0,0,0,0|2,0,0]=3 694 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,1,0,0,0,0|1,0,0]=2 695 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [0,1,0,0,0,0|2,0,1]=4 697 B7R0.2 CCC(O)CN(C)C MCULE-5823673760 [0,1,0,0,0,0|2,0,1]=4 698 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,1,0,0,0,0|2,0,0]=3 699 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,1,0,0,0,0|2,0,0]=3 700 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,1,0,0,0,0|1,0,0]=2 701 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,1,0,0,0,0|2,0,0]=3 702 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,1,0,0,0,0|0,0,0]=1 703 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,1,0,0,0,0|0,0,0]=1 704 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,1,0,0,0,0|1,0,0]=2 705 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,1,0,0,0,0|1,0,0]=2 706 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,1,0,0,0,0|1,0,0]=2 707 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,1,0,0,0,0|1,0,0]=2 708 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,1,0,0,0,0|0,0,0]=1 709 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,1,0,0,0,0|0,0,0]=1 710 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,1,0,0,0,0|1,0,0]=2 711 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,1,0,0,0,0|1,0,0]=2 712 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,1,0,0,0,0|1,0,0]=2 713 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,1,0,0,0,0|1,0,0]=2 714 B7R0.2 CN(C)C/C(=N/O)/N MCULE-5454112728 [0,1,0,0,0,0|2,0,0]=3 715 B7R0.2 CN(C)C=C(Br)C=O MCULE-6219650032 [0,1,0,0,0,0|2,0,1]=4 716 B7R0.2 CN(C)C=C(F)C=O MCULE-7113199029 [0,1,0,0,0,0|2,0,1]=4 717 B7R0.2 CN(C)C=C(I)C=O MCULE-5701724761 [0,1,0,0,0,0|2,0,1]=4 718 B7R0.2 CN(C)CC(=O)NN MCULE-4271340398 [0,1,0,0,0,0|2,0,0]=3 719 B7R0.2 CN(C)CC(=O)NN MCULE-8010840162 [0,1,0,0,0,0|2,0,0]=3 720 B7R0.2 CN(C)CC(=O)NN MCULE-9920503081 [0,1,0,0,0,0|2,0,0]=3 721 B7R0.2 CN(C)CC(N)CO MCULE-2789134862 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.2 CN(C)CC(N)CO MCULE-4090276677 [0,1,0,0,0,0|2,0,1]=4 723 B7R0.2 CN(C)CC(O)CCl MCULE-3657515294 [0,1,0,0,0,0|2,0,1]=4 724 B7R0.2 CN(C)CC(O)CCl MCULE-8459273595 [0,1,0,0,0,0|2,0,1]=4 725 B7R0.2 CN(C)CC(O)CN MCULE-7476161270 [0,1,0,0,0,0|2,0,1]=4 726 B7R0.2 CN(C)CC(O)CN MCULE-8533203733 [0,1,0,0,0,0|2,0,1]=4 727 B7R0.2 CN(C)CC(O)CO MCULE-3436894516 [0,1,0,0,0,0|1,0,2]=4 728 B7R0.2 CN(C)C[C@@H](O)CO MCULE-7101033572 [0,1,0,0,0,0|1,0,2]=4 729 B7R0.2 CN(C)C[C@H](O)CO MCULE-4297947949 [0,1,0,0,0,0|1,0,2]=4 730 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,0,0,0,0|1,0,1]=3 731 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,1,0,0,0,0|2,0,0]=3 732 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,1,0,0,0,0|1,0,2]=4 733 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,0,0,0,0|2,0,1]=4 734 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,0|1,0,1]=3 735 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,1,0,0,0,0|1,0,0]=2 736 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,1,0,0,0,0|2,0,0]=3 737 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,1,0,0,0,0|2,0,0]=3 738 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,1,0,0,0,0|1,0,0]=2 739 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,1,0,0,0,0|1,0,0]=2 740 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,1,0,0,0,0|0,0,0]=1 741 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,1,0,0,0,0|0,0,0]=1 742 B7R0.2 CNC(C)CC(C)C MCULE-4458579180 [0,1,0,0,0,0|2,0,1]=4 743 B7R0.2 CNC(C)CC(C)C MCULE-9768203107 [0,1,0,0,0,0|2,0,1]=4 744 B7R0.2 CNC(C)CS(=O)C MCULE-5598071425 [0,1,0,0,0,0|2,0,0]=3 745 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,1,0,0,0,0|0,0,2]=3 746 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,1,0,0,0,0|1,0,2]=4 747 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,1,0,0,0,0|0,0,2]=3 748 B7R0.2 COC(=N)CC(C)C MCULE-4603041381 [0,1,0,0,0,0|1,0,0]=2 749 B7R0.2 COC(=N)CC(C)C MCULE-5838686710 [0,1,0,0,0,0|1,0,0]=2 750 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,0,0,0,0|1,0,2]=4 751 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,0,0,0,0|1,0,2]=4 752 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,0,0,0,0|0,0,2]=3 753 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,0,0,0,0|1,0,2]=4 754 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,0,0,0,0|1,0,2]=4 755 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,0,0,0,0|1,0,2]=4 756 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,1,0,0,0,0|2,0,1]=4 757 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,1,0,0,0,0|2,0,1]=4 758 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,0|1,0,1]=3 759 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,0,0,0,0|2,0,1]=4 760 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,0,0,0,0|2,0,1]=4 761 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,0|1,0,1]=3 762 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,0,0,0,0|1,0,2]=4 763 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,1,0,0,0,0|2,0,1]=4 764 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,1,0,0,0,0|1,0,0]=2 765 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,1,0,0,0,0|0,0,0]=1 766 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,1,0,0,0,0|1,0,0]=2 767 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,1,0,0,0,0|1,0,0]=2 768 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,1,0,0,0,0|1,0,0]=2 769 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,1,0,0,0,0|1,0,0]=2 770 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,1,0,0,0,0|1,0,0]=2 771 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,1,0,0,0,0|1,0,0]=2 772 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,1,0,0,0,0|1,0,0]=2 773 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,1,0,0,0,0|1,0,0]=2 774 B7R0.2 COC(=O)CN(=O)=O MCULE-9778666398 [0,1,0,0,0,0|3,0,0]=4 775 B7R0.2 COC(=O)CN(C)C MCULE-2035644817 [0,1,0,0,0,0|1,0,0]=2 776 B7R0.2 COC(=O)CN(C)C MCULE-2356820620 [0,1,0,0,0,0|1,0,0]=2 777 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,1,0,0,0,0|2,0,0]=3 778 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,1,0,0,0,0|1,0,0]=2 779 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,1,0,0,0,0|1,0,0]=2 780 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,1,0,0,0,0|1,0,0]=2 781 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,1,0,0,0,0|1,0,0]=2 782 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,1,0,0,0,0|1,0,0]=2 783 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,1,0,0,0,0|1,0,0]=2 784 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,1,0,0,0,0|1,0,0]=2 785 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,1,0,0,0,0|1,0,0]=2 786 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,1,0,0,0,0|1,0,0]=2 787 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,1,0,0,0,0|1,0,0]=2 788 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,1,0,0,0,0|1,0,0]=2 789 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,1,0,0,0,0|1,0,0]=2 790 B7R0.2 COC(=O)NC(C)C MCULE-4552685948 [0,1,0,0,0,0|1,0,0]=2 791 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [0,1,0,0,0,0|1,0,0]=2 792 B7R0.2 COC(=O)SC(C)C MCULE-9908884347 [0,1,0,0,0,0|1,0,0]=2 793 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,1,0,0,0,0|0,0,0]=1 794 B7R0.2 COC(C)CC(C)O MCULE-3635789827 [0,1,0,0,0,0|1,0,1]=3 795 B7R0.2 CSC(=O)CC(C)C MCULE-5433173038 [0,1,0,0,0,0|0,1,0]=2 796 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,1,0,0,0,0|0,0,0]=1 797 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,0,0,0,0|0,0,0]=1 798 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,0,0,0,0|0,0,0]=1 799 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,1,0,0,0,0|2,0,1]=4 800 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,0|2,0,1]=4 801 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,1,0,0,0,0|1,0,0]=2 802 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,1,0,0,0,0|1,0,0]=2 803 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,1,0,0,0,0|1,0,0]=2 804 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,1,0,0,0,0|1,0,0]=2 805 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,1,0,0,0,0|1,0,0]=2 806 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,0|1,0,0]=2 807 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,1,0,0,0,0|2,0,0]=3 808 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,1,0,0,0,0|2,0,0]=3 809 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,1,0,0,0,0|1,0,0]=2 810 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,1,0,0,0,0|1,0,0]=2 811 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,0|1,0,0]=2 812 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,0|1,0,0]=2 813 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,1,0,0,0,0|1,0,0]=2 814 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,1,0,0,0,0|1,0,0]=2 815 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,0|1,0,0]=2 816 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,0|1,0,0]=2 817 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,1,0,0,0,0|1,0,0]=2 818 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,1,0,0,0,0|1,0,0]=2 819 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,1,0,0,0,0|1,0,0]=2 820 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,1,0,0,0,0|1,0,0]=2 821 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,1,0,0,0,0|2,0,1]=4 822 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,1,0,0,0,0|2,0,1]=4 823 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,0|1,0,1]=3 824 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,0|1,0,1]=3 825 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,1,0,0,0,0|1,0,0]=2 826 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,1,0,0,0,0|1,0,0]=2 827 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,1,0,0,0,0|1,0,1]=3 828 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,1,0,0,0,0|1,0,1]=3 829 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,0,0,0,0|2,0,1]=4 830 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,1,0,0,0,0|2,0,0]=3 831 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,1,0,0,0,0|1,0,1]=3 832 B7R0.9 C=C(Br)C[Si](C)(C)C MCULE-8859351976 [0,1,0,0,0,0|2,1,0]=4 833 B7R0.9 C=C(C)CC(C)(C)C MCULE-2888894392 [0,1,0,0,0,0|2,0,0]=3 834 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [0,1,0,0,0,0|1,0,2]=4 835 B7R0.9 C=C(C)C[Si](C)(C)C MCULE-3058739756 [0,1,0,0,0,0|2,1,0]=4 836 B7R0.9 CC(=CC(C)(C)C)C MCULE-4264115616 [0,1,0,0,0,0|2,0,1]=4 837 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [0,1,0,0,0,0|1,0,0]=2 838 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [0,1,0,0,0,0|1,0,0]=2 839 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,1,0,0,0,0|1,0,0]=2 840 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,1,0,0,0,0|1,0,0]=2 841 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,1,0,0,0,0|1,0,0]=2 842 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,1,0,0,0,0|1,0,0]=2 843 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [0,1,0,0,0,0|1,0,0]=2 844 B7R0.9 CC(=O)CC(F)(F)F MCULE-6552958941 [0,1,0,0,0,0|3,0,0]=4 845 B7R0.9 CC(=O)CS(=O)(=O)C MCULE-5686426572 [0,1,0,0,0,0|3,0,0]=4 846 B7R0.9 CC(=O)NC(C)(C)C MCULE-7590749185 [0,1,0,0,0,0|2,0,0]=3 847 B7R0.9 CC(=O)N[Si](C)(C)C MCULE-1892187625 [0,1,0,0,0,0|2,1,0]=4 848 B7R0.9 CC(=O)OC(C)(C)C MCULE-4713236745 [0,1,0,0,0,0|2,0,0]=3 849 B7R0.9 CC(=O)O[Si](C)(C)C MCULE-9062827817 [0,1,0,0,0,0|2,1,0]=4 850 B7R0.9 CC(=O)SC(C)(C)C MCULE-7111846167 [0,1,0,0,0,0|2,0,0]=3 851 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,1,0,0,0,0|0,0,0]=1 852 B7R0.9 CC(C)(C)CB(O)O MCULE-7159615994 [0,1,0,0,0,0|1,0,1]=3 853 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [0,1,0,0,0,0|1,0,0]=2 854 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [0,1,0,0,0,0|1,0,0]=2 855 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,1,0,0,0,0|0,0,0]=1 856 B7R0.9 CC(C)(C)CC(Cl)Cl MCULE-6477567449 [0,1,0,0,0,0|2,0,1]=4 857 B7R0.9 CC(C)(C)CS(=O)[O-] MCULE-3570989156 [0,1,0,0,0,0|1,0,1]=3 858 B7R0.9 CC(C)(C)CS(=O)[O-] MCULE-8224255733 [0,1,0,0,0,0|1,0,1]=3 859 B7R0.9 CC(C)(C)NC(=N)N MCULE-5609903716 [0,1,0,0,0,0|3,0,0]=4 860 B7R0.9 CC(C)(C)NC(=N)N MCULE-8833744812 [0,1,0,0,0,0|3,0,0]=4 861 B7R0.9 CC(C)(C)NC(=O)N MCULE-7867571542 [0,1,0,0,0,0|2,0,0]=3 862 B7R0.9 CC(C)(C)NC(=S)N MCULE-5791832264 [0,1,0,0,0,0|2,1,0]=4 863 B7R0.9 CC(C)(C)NC(=S)S MCULE-9499841333 [0,1,0,0,0,0|1,2,0]=4 864 B7R0.9 CC(C)(C)NC(=S)[S-] MCULE-2711989552 [0,1,0,0,0,0|1,2,0]=4 865 B7R0.9 CC(C)(C)OC(=O)N MCULE-8089044173 [0,1,0,0,0,0|2,0,0]=3 866 B7R0.9 CC(C)(C)SC(=N)N MCULE-4615743002 [0,1,0,0,0,0|3,0,0]=4 867 B7R0.9 CC(C)(C)SC(=O)Cl MCULE-5079482641 [0,1,0,0,0,0|2,0,0]=3 868 B7R0.9 CC(C)(C)SC(=[NH2+])N MCULE-2716931039 [0,1,0,0,0,0|3,0,0]=4 869 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,1,0,0,0,0|1,0,0]=2 870 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,1,0,0,0,0|1,0,0]=2 871 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,0,0|0,0,0]=1 872 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,0,0|0,0,0]=1 873 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,0,0|0,0,0]=1 874 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,0,0|0,0,0]=1 875 B7R0.9 CC(C)(O)CN(=O)=O MCULE-5099028458 [0,1,0,0,0,0|1,0,1]=3 876 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,1,0,0,0,0|0,0,0]=1 877 B7R0.9 CC(C)CC(C)(C)C MCULE-3330030399 [0,1,0,0,0,0|2,0,1]=4 878 B7R0.9 CC(C)CC(C)(C)N MCULE-4922087306 [0,1,0,0,0,0|2,0,1]=4 879 B7R0.9 CC(C)CC(C)(C)N MCULE-8133258210 [0,1,0,0,0,0|2,0,1]=4 880 B7R0.9 CC(C)CC(C)(C)O MCULE-3204875128 [0,1,0,0,0,0|1,0,1]=3 881 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [0,1,0,0,0,0|1,0,0]=2 882 B7R0.9 CC(C)CS(=O)(=O)Cl MCULE-9367875558 [0,1,0,0,0,0|1,0,1]=3 883 B7R0.9 CC(C)CS(=O)(=O)F MCULE-1313713922 [0,1,0,0,0,0|1,0,1]=3 884 B7R0.9 CC(C)CS(=O)(=O)N MCULE-9972789825 [0,1,0,0,0,0|1,0,1]=3 885 B7R0.9 CC(C)C[Si](C)(C)Cl MCULE-2489548179 [0,1,0,0,0,0|2,1,0]=4 886 B7R0.9 CC(C)C[Si](C)(Cl)Cl MCULE-6294827134 [0,1,0,0,0,0|2,1,0]=4 887 B7R0.9 CC(C)C[Si](Cl)(Cl)Cl MCULE-5093916231 [0,1,0,0,0,0|2,1,0]=4 888 B7R0.9 CC(C)NS(=O)(=O)C MCULE-8756000534 [0,1,0,0,0,0|2,0,1]=4 889 B7R0.9 CC(C)NS(=O)(=O)Cl MCULE-5329724741 [0,1,0,0,0,0|2,0,1]=4 890 B7R0.9 CC(C)NS(=O)(=O)F MCULE-4666111485 [0,1,0,0,0,0|2,0,1]=4 891 B7R0.9 CC(C)NS(=O)(=O)N MCULE-6585203632 [0,1,0,0,0,0|2,0,1]=4 892 B7R0.9 CC(C)NS(=O)(=O)O MCULE-8414216278 [0,1,0,0,0,0|2,0,0]=3 893 B7R0.9 CC(C)OS(=O)(=O)C MCULE-4792959912 [0,1,0,0,0,0|2,0,1]=4 894 B7R0.9 CC(C)OS(=O)(=O)O MCULE-9056417787 [0,1,0,0,0,0|2,0,0]=3 895 B7R0.9 CC(C)OS(=O)(=O)[O-] MCULE-3991302886 [0,1,0,0,0,0|2,0,1]=4 896 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,1,0,0,0,0|1,0,0]=2 897 B7R0.9 CC(N)CC(C)(C)C MCULE-9078455585 [0,1,0,0,0,0|2,0,1]=4 898 B7R0.9 CC(N)CC(C)(C)N MCULE-3037959090 [0,1,0,0,0,0|2,0,1]=4 899 B7R0.9 CC(N)CC(C)(C)O MCULE-6122866768 [0,1,0,0,0,0|2,0,1]=4 900 B7R0.9 CC(N)CC(C)(C)O MCULE-6808889940 [0,1,0,0,0,0|2,0,1]=4 901 B7R0.9 CC(N)CS(=O)(=O)C MCULE-8822552419 [0,1,0,0,0,0|2,0,1]=4 902 B7R0.9 CC(N)CS(=O)(=O)C MCULE-9216622378 [0,1,0,0,0,0|2,0,1]=4 903 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [0,1,0,0,0,0|2,0,0]=3 904 B7R0.9 CC(O)CC(C)(C)C MCULE-3536219229 [0,1,0,0,0,0|1,0,1]=3 905 B7R0.9 CC(O)CC(C)(C)N MCULE-2860111904 [0,1,0,0,0,0|1,0,1]=3 906 B7R0.9 CC(O)CC(C)(C)O MCULE-5281049691 [0,1,0,0,0,0|1,0,1]=3 907 B7R0.9 CC(O)CC(C)(C)O MCULE-8163963858 [0,1,0,0,0,0|1,0,1]=3 908 B7R0.9 CC(O)CS(=O)(=O)C MCULE-9821477194 [0,1,0,0,0,0|2,0,1]=4 909 B7R0.9 CC(O)C[N+](C)(C)C MCULE-1986992067 [0,1,0,0,0,0|2,0,1]=4 910 B7R0.9 CC(O)C[N+](C)(C)C MCULE-5969734680 [0,1,0,0,0,0|2,0,1]=4 911 B7R0.9 CC(O)C[N+](C)(C)C MCULE-8120725010 [0,1,0,0,0,0|2,0,1]=4 912 B7R0.9 CN(C)CC(C)(C)C MCULE-1551347528 [0,1,0,0,0,0|3,0,0]=4 913 B7R0.9 CN(C)CC(C)(C)N MCULE-1305124006 [0,1,0,0,0,0|3,0,0]=4 914 B7R0.9 CN(C)CC(C)(C)N MCULE-4136633410 [0,1,0,0,0,0|3,0,0]=4 915 B7R0.9 CN(C)CC(C)(C)N MCULE-7574275063 [0,1,0,0,0,0|3,0,0]=4 916 B7R0.9 CN(C)CC(C)(C)O MCULE-1150912998 [0,1,0,0,0,0|2,0,1]=4 917 B7R0.9 CS(=O)(=NC(=O)Cl)C MCULE-9501106275 [0,1,0,0,0,0|3,0,0]=4 918 B7R0.9 CS(=O)(=O)CC(=O)Cl MCULE-9861100117 [0,1,0,0,0,0|3,0,0]=4 919 B7R0.9 CS(=O)(=O)CC(=O)N MCULE-1619614870 [0,1,0,0,0,0|3,0,0]=4 920 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,0,0|2,0,0]=3 921 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,1,0,0,0,0|1,0,0]=2 922 B7R0.9 C[As+](C)(C)CC(=O)[O-] MCULE-4852790942 [0,1,0,0,0,0|1,0,1]=3 923 B7R0.9 C[C@@H](N)CS(=O)(=O)C MCULE-6974339925 [0,1,0,0,0,0|2,0,1]=4 924 B7R0.9 C[C@@H](N)CS(=O)(=O)C MCULE-8870434495 [0,1,0,0,0,0|2,0,1]=4 925 B7R0.9 C[C@@H](O)CC(C)(C)O MCULE-5779966658 [0,1,0,0,0,0|1,0,1]=3 926 B7R0.9 C[C@H](N)CC(C)(C)C MCULE-1125553954 [0,1,0,0,0,0|2,0,1]=4 927 B7R0.9 C[C@H](N)CC(C)(C)C MCULE-5940744306 [0,1,0,0,0,0|2,0,1]=4 928 B7R0.9 C[C@H](N)CC(C)(C)C MCULE-8356895574 [0,1,0,0,0,0|2,0,1]=4 929 B7R0.9 C[C@H](N)CC(C)(C)C MCULE-9507282532 [0,1,0,0,0,0|2,0,1]=4 930 B7R0.9 C[C@H](N)CS(=O)(=O)C MCULE-6266741758 [0,1,0,0,0,0|2,0,1]=4 931 B7R0.9 C[C@H](N)CS(=O)(=O)C MCULE-9558997808 [0,1,0,0,0,0|2,0,1]=4 932 B7R0.9 C[C@H](O)CC(C)(C)O MCULE-6903579241 [0,1,0,0,0,0|1,0,1]=3 933 B7R0.9 C[N+](C)(C)CC(=O)Cl MCULE-1674168490 [0,1,0,0,0,0|2,0,0]=3 934 B7R0.9 C[N+](C)(C)CC(=O)Cl MCULE-2186832169 [0,1,0,0,0,0|2,0,0]=3 935 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-3264501433 [0,1,0,0,0,0|2,0,0]=3 936 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-9355968445 [0,1,0,0,0,0|2,0,0]=3 937 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,1,0,0,0,0|1,0,0]=2 938 B7R0.9 C[N+](C)(C)CC(=O)[O-] MCULE-8745470661 [0,1,0,0,0,0|1,0,1]=3 939 B7R0.9 C[Si](C)(C)CB(O)O MCULE-8234153400 [0,1,0,0,0,0|1,1,1]=4 940 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,1,0,0,0,0|0,1,0]=2 941 B7R0.9 NC(=O)CC(F)(F)F MCULE-5914894419 [0,1,0,0,0,0|3,0,0]=4 942 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,0,0|3,0,0]=4 943 B7R0.9 O=C(Cl)CC(F)(F)F MCULE-1648565999 [0,1,0,0,0,0|3,0,0]=4 944 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [0,1,0,0,0,0|2,0,0]=3 945 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,0,0|3,0,0]=4 946 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,0,0|3,0,0]=4 947 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,1,0,0,0,0|0,0,1]=2 948 B7R0.16 C=C(C)C(=O)C(C)C MCULE-6219149152 [0,1,0,0,0,0|2,0,1]=4 949 B7R0.16 C=C(C)C(Br)N(C)C MCULE-5719118916 [0,1,0,0,0,0|3,0,0]=4 950 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,0,0,0,0|1,0,2]=4 951 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,0|0,0,2]=3 952 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,0|0,0,2]=3 953 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,0|0,0,2]=3 954 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,0|0,0,2]=3 955 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,0,0,0,0|1,0,2]=4 956 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,0|0,0,2]=3 957 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,0|0,0,2]=3 958 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,0|0,0,2]=3 959 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,0|0,0,2]=3 960 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,0,0|0,0,2]=3 961 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,0,0|1,0,2]=4 962 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,0,0|0,0,2]=3 963 B7R0.16 CC(=C(C)C(C)C)C MCULE-1277261872 [0,1,0,0,0,0|2,0,1]=4 964 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,0,0|0,0,2]=3 965 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,0,0|0,0,2]=3 966 B7R0.16 CC(=O)C(=O)C(C)Br MCULE-8153095418 [0,1,0,0,0,0|2,0,1]=4 967 B7R0.16 CC(=O)C(=O)N(C)C MCULE-9467983911 [0,1,0,0,0,0|2,0,1]=4 968 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,0,0|2,0,1]=4 969 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,1,0,0,0,0|1,0,0]=2 970 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,0,0|2,0,1]=4 971 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,0,0|2,0,1]=4 972 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,1,0,0,0,0|1,0,0]=2 973 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,0,0|2,0,1]=4 974 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,0,0|2,0,1]=4 975 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,0,0|2,0,1]=4 976 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,0,0|1,0,0]=2 977 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,0,0|1,0,0]=2 978 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,0,0|2,0,1]=4 979 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,0,0|1,0,0]=2 980 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,0,0|1,0,0]=2 981 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,0,0|2,0,0]=3 982 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [0,1,0,0,0,0|1,0,1]=3 983 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,0,0,0,0|0,0,1]=2 984 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [0,1,0,0,0,0|0,0,2]=3 985 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,1,0,0,0,0|1,0,0]=2 986 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,1,0,0,0,0|1,0,0]=2 987 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,0,0,0,0|1,0,0]=2 988 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,0,0|0,0,0]=1 989 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,0,0|0,0,0]=1 990 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,1,0,0,0,0|1,0,0]=2 991 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,0,0|0,0,0]=1 992 B7R0.16 CC(C)C(C)C(C)C MCULE-2831761094 [0,1,0,0,0,0|2,0,1]=4 993 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,1,0,0,0,0|1,0,0]=2 994 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,0,0|0,0,0]=1 995 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,0,0|0,0,0]=1 996 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,0,0,0,0|1,0,0]=2 997 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,0,0,0,0|1,0,0]=2 998 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,0,0|0,0,0]=1 999 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,0,0|0,0,0]=1 1000 B7R0.16 CC(C)C(N)C(C)C MCULE-2164638983 [0,1,0,0,0,0|2,0,1]=4 1001 B7R0.16 CC(C)C(N)C(C)C MCULE-8563510082 [0,1,0,0,0,0|2,0,1]=4 1002 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,0,0|0,0,0]=1 1003 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,0,0|0,0,0]=1 1004 B7R0.16 CC(C)C(O)C(C)C MCULE-3471523029 [0,1,0,0,0,0|2,0,1]=4 1005 B7R0.16 CC(C)C(O)C(C)N MCULE-1856841813 [0,1,0,0,0,0|2,0,1]=4 1006 B7R0.16 CC(C)C(S)C(C)C MCULE-3605843125 [0,1,0,0,0,0|2,0,1]=4 1007 B7R0.16 CC(C)N(C)C(=O)Cl MCULE-1063482503 [0,1,0,0,0,0|2,0,0]=3 1008 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,0,0|0,0,0]=1 1009 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,0,0|0,0,0]=1 1010 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,0,0,0,0|1,0,0]=2 1011 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,0,0,0,0|1,0,0]=2 1012 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,0,0,0,0|1,0,0]=2 1013 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,0,0,0,0|1,0,0]=2 1014 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,0,0|0,0,0]=1 1015 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,0,0|0,0,0]=1 1016 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,0,0|0,0,0]=1 1017 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,0,0|0,0,0]=1 1018 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,0,0|0,0,0]=1 1019 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,0,0|0,0,0]=1 1020 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,0,0|0,0,0]=1 1021 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,0,0|0,0,0]=1 1022 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,0,0|0,0,0]=1 1023 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,0,0|0,0,0]=1 1024 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,0,0,0,0|1,0,0]=2 1025 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,0,0,0,0|1,0,0]=2 1026 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,0,0,0,0|1,0,0]=2 1027 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,0,0,0,0|1,0,0]=2 1028 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,0,0,0,0|1,0,0]=2 1029 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,0,0,0,0|1,0,0]=2 1030 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,0,0|0,0,0]=1 1031 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,0,0|0,0,0]=1 1032 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,0,0|0,0,0]=1 1033 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,0,0|0,0,0]=1 1034 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,0,0|1,0,0]=2 1035 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,0,0|1,0,0]=2 1036 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,0,0|1,0,0]=2 1037 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,0,0|1,0,0]=2 1038 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,0,0|1,0,0]=2 1039 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,0,0|1,0,0]=2 1040 B7R0.16 CC(O)C(C)N(=O)=O MCULE-8190257217 [0,1,0,0,0,0|2,0,1]=4 1041 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,0,0,0,0|2,0,0]=3 1042 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,0,0,0,0|2,0,0]=3 1043 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,0,0|1,0,0]=2 1044 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,0,0|1,0,0]=2 1045 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [0,1,0,0,0,0|1,0,1]=3 1046 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,0,0|1,0,0]=2 1047 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,0,0|1,0,0]=2 1048 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,0,0|1,0,0]=2 1049 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,0,0|1,0,0]=2 1050 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,0,0|1,0,0]=2 1051 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,0,0|1,0,0]=2 1052 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,0,0|1,0,0]=2 1053 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,0,0|1,0,0]=2 1054 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,0,0,0,0|2,0,0]=3 1055 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,0,0,0,0|2,0,0]=3 1056 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,0,0,0,0|2,0,0]=3 1057 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,0,0,0,0|2,0,0]=3 1058 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,0,0,0,0|2,0,0]=3 1059 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,0,0,0,0|2,0,0]=3 1060 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,0,0|1,0,0]=2 1061 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,0,0|1,0,0]=2 1062 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,0,0|1,0,0]=2 1063 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,0,0|1,0,0]=2 1064 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,0,0|1,0,0]=2 1065 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,0,0|1,0,0]=2 1066 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-1489374162 [0,1,0,0,0,0|2,0,0]=3 1067 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-7938995734 [0,1,0,0,0,0|2,0,0]=3 1068 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,0,0|1,0,0]=2 1069 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,0,0|1,0,0]=2 1070 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,0,0|1,0,0]=2 1071 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,0,0|1,0,0]=2 1072 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,0,0|1,0,0]=2 1073 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,0,0|1,0,0]=2 1074 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,0,0|1,0,0]=2 1075 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,0,0|1,0,0]=2 1076 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,0,0|1,0,0]=2 1077 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,0,0|1,0,0]=2 1078 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,0,0|1,0,0]=2 1079 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,0,0|1,0,0]=2 1080 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,0,0|1,0,0]=2 1081 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,0,0|1,0,0]=2 1082 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,0,0|1,0,0]=2 1083 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,0|2,0,1]=4 1084 B7R0.16 O=C(O)C(=O)C(Br)Br MCULE-6847251467 [0,1,0,0,0,0|2,0,1]=4 1085 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,0,0|2,0,1]=4 1086 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,0,0|2,0,1]=4 1087 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,0,0|2,0,1]=4 1088 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,1,0,0,0,0|2,0,0]=3 1089 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [0,0,0,1,0,0|2,0,1]=4 1090 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,1,0,0|2,0,0]=3 1091 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,1,0,0|2,0,0]=3 1092 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,1,0,0|2,0,0]=3 1093 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,1,0,0|1,0,0]=2 1094 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,0,0,1,0,0|1,0,2]=4 1095 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,1,0,0|0,0,2]=3 1096 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,0,0,1,0,0|3,0,0]=4 1097 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,0,0,1,0,0|2,0,0]=3 1098 B7R1.2 CC1=NC(CS1)C MCULE-8843957654 [0,0,0,1,0,0|2,1,0]=4 1099 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,0,0,1,0,0|2,0,1]=4 1100 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,0,0,1,0,0|1,0,1]=3 1101 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,0,0,1,0,0|1,0,1]=3 1102 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,1,0,0|2,0,1]=4 1103 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,0,0,1,0,0|2,0,1]=4 1104 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [0,0,0,1,0,0|3,0,0]=4 1105 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,1,0,0|2,0,0]=3 1106 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,0,0,1,0,0|2,0,0]=3 1107 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,0,0,1,0,0|2,0,0]=3 1108 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,0,0,1,0,0|2,0,0]=3 1109 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [0,0,0,1,0,0|2,0,1]=4 1110 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [0,0,0,1,0,0|2,0,1]=4 1111 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [0,0,0,1,0,0|2,0,1]=4 1112 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [0,0,0,1,0,0|2,0,1]=4 1113 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [0,0,0,1,0,0|2,0,1]=4 1114 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,0,0,1,0,0|3,0,0]=4 1115 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,0,0,1,0,0|3,0,0]=4 1116 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,0,0,1,0,0|1,0,0]=2 1117 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,0,0,1,0,0|2,0,0]=3 1118 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,0,0,1,0,0|2,0,0]=3 1119 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,0,0,1,0,0|2,0,0]=3 1120 B7R1.2 CC1CCC(C1)Br MCULE-3834311364 [0,0,0,1,0,0|2,0,1]=4 1121 B7R1.2 CC1CCC(C1)Cl MCULE-7669391571 [0,0,0,1,0,0|2,0,1]=4 1122 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [0,0,0,1,0,0|2,0,1]=4 1123 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [0,0,0,1,0,0|2,0,1]=4 1124 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [0,0,0,1,0,0|1,0,1]=3 1125 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [0,0,0,1,0,0|3,0,0]=4 1126 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [0,0,0,1,0,0|3,0,0]=4 1127 B7R1.2 CC1CN=C(S1)N MCULE-5641549444 [0,0,0,1,0,0|3,0,0]=4 1128 B7R1.2 CC1CN=C(S1)N MCULE-9229369376 [0,0,0,1,0,0|3,0,0]=4 1129 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,1,0,0|1,0,0]=2 1130 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,0,0,1,0,0|2,0,0]=3 1131 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,0,0,1,0,0|2,0,0]=3 1132 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,0,0,1,0,0|2,1,0]=4 1133 B7R1.2 CC1CNC(=S)S1 MCULE-1131079445 [0,0,0,1,0,0|2,1,0]=4 1134 B7R1.2 CC1CNC(C1)C MCULE-3051496448 [0,0,0,1,0,0|2,0,1]=4 1135 B7R1.2 CC1CNC(C1)C MCULE-9324057254 [0,0,0,1,0,0|2,0,1]=4 1136 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,1,0,0|0,0,0]=1 1137 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,1,0,0|1,0,0]=2 1138 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,0,0,1,0,0|1,0,0]=2 1139 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,0,0,1,0,0|1,1,0]=3 1140 B7R1.2 CC1COC(O1)C MCULE-5670718739 [0,0,0,1,0,0|2,0,1]=4 1141 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,0,0,1,0,0|2,0,0]=3 1142 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,0,0,1,0,0|1,1,0]=3 1143 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [0,0,0,1,0,0|1,2,0]=4 1144 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,0,0,1,0,0|3,0,0]=4 1145 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,0,0,1,0,0|2,0,0]=3 1146 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,0,0,1,0,0|2,0,0]=3 1147 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [0,0,0,1,0,0|2,0,1]=4 1148 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [0,0,0,1,0,0|2,0,1]=4 1149 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [0,0,0,1,0,0|2,0,1]=4 1150 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [0,0,0,1,0,0|2,0,1]=4 1151 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [0,0,0,1,0,0|2,0,1]=4 1152 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,1,0,0|2,0,0]=3 1153 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,1,0,0|2,0,0]=3 1154 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,0,0,1,0,0|2,0,0]=3 1155 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,0,0,1,0,0|2,0,0]=3 1156 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,0,0,1,0,0|2,0,0]=3 1157 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [0,0,0,1,0,0|2,0,1]=4 1158 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [0,0,0,1,0,0|2,0,1]=4 1159 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,1,0,0|1,0,0]=2 1160 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,1,0,0|1,0,0]=2 1161 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,0,0,1,0,0|2,0,0]=3 1162 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,0,0,1,0,0|2,0,0]=3 1163 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,1,0,0|0,0,0]=1 1164 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,1,0,0|0,0,0]=1 1165 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,1,0,0|1,0,0]=2 1166 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,1,0,0|1,0,0]=2 1167 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,0,0,1,0,0|1,0,0]=2 1168 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,0,0,1,0,0|1,0,0]=2 1169 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [0,0,0,1,0,0|2,0,1]=4 1170 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [0,0,0,1,0,0|2,0,1]=4 1171 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [0,0,0,1,0,0|2,0,1]=4 1172 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [0,0,0,1,0,0|2,0,1]=4 1173 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [0,0,0,1,0,0|2,0,1]=4 1174 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [0,0,0,1,0,0|2,0,1]=4 1175 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [0,0,0,1,0,0|2,0,1]=4 1176 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [0,0,0,1,0,0|2,0,1]=4 1177 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,1,0,0|2,0,0]=3 1178 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,1,0,0|2,0,0]=3 1179 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,1,0,0|2,0,0]=3 1180 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,1,0,0|2,0,0]=3 1181 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,0,0,1,0,0|1,0,0]=2 1182 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,0,0,1,0,0|2,0,0]=3 1183 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,0,0,1,0,0|2,0,0]=3 1184 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,0,0,1,0,0|2,0,0]=3 1185 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [0,0,0,1,0,0|2,0,1]=4 1186 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [0,0,0,1,0,0|2,0,1]=4 1187 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [0,0,0,1,0,0|2,0,1]=4 1188 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,1,0,0|1,0,0]=2 1189 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,1,0,0|1,0,0]=2 1190 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,1,0,0|0,0,0]=1 1191 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,1,0,0|1,0,0]=2 1192 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,1,0,0|1,0,0]=2 1193 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,0,0,1,0,0|1,0,0]=2 1194 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,0,0,1,0,0|1,0,0]=2 1195 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [0,0,0,1,0,0|1,2,0]=4 1196 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [0,0,0,1,0,0|2,0,1]=4 1197 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [0,0,0,1,0,0|2,0,1]=4 1198 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [0,0,0,1,0,0|2,0,1]=4 1199 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [0,0,0,1,0,0|2,0,1]=4 1200 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [0,0,0,1,0,0|2,0,1]=4 1201 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [0,0,0,1,0,0|2,0,1]=4 1202 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [0,0,0,1,0,0|2,0,1]=4 1203 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [0,0,0,1,0,0|2,0,1]=4 1204 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,1,0,0|2,0,0]=3 1205 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,1,0,0|2,0,0]=3 1206 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,0,0,1,0,0|3,0,0]=4 1207 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,0,0,1,0,0|3,0,0]=4 1208 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [0,0,0,1,0,0|2,0,1]=4 1209 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [0,0,0,1,0,0|2,0,1]=4 1210 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [0,0,0,1,0,0|3,0,0]=4 1211 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [0,0,0,1,0,0|3,0,0]=4 1212 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,1,0,0|2,0,0]=3 1213 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,1,0,0|2,0,0]=3 1214 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,1,0,0|2,0,0]=3 1215 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,1,0,0|2,0,0]=3 1216 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,1,0,0|1,0,0]=2 1217 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,1,0,0|1,0,0]=2 1218 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,1,0,0|1,0,0]=2 1219 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,1,0,0|1,0,0]=2 1220 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [0,0,0,1,0,0|2,0,1]=4 1221 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [0,0,0,1,0,0|2,0,1]=4 1222 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [0,0,0,1,0,0|2,0,1]=4 1223 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [0,0,0,1,0,0|2,0,1]=4 1224 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [0,0,0,1,0,0|2,0,1]=4 1225 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [0,0,0,1,0,0|2,0,1]=4 1226 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [0,0,0,1,0,0|2,0,1]=4 1227 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [0,0,0,1,0,0|2,0,1]=4 1228 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [0,0,0,1,0,0|2,0,1]=4 1229 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [0,0,0,1,0,0|2,0,1]=4 1230 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,1,0,0|2,0,0]=3 1231 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,1,0,0|2,0,0]=3 1232 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,1,0,0|2,0,0]=3 1233 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,1,0,0|2,0,0]=3 1234 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,1,0,0|1,0,0]=2 1235 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,1,0,0|1,0,0]=2 1236 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,1,0,0|1,0,0]=2 1237 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,1,0,0|1,0,0]=2 1238 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [0,0,0,1,0,0|2,0,1]=4 1239 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [0,0,0,1,0,0|2,0,1]=4 1240 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [0,0,0,1,0,0|2,0,1]=4 1241 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [0,0,0,1,0,0|2,0,1]=4 1242 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [0,0,0,1,0,0|2,0,1]=4 1243 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [0,0,0,1,0,0|2,0,1]=4 1244 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [0,0,0,1,0,0|2,0,1]=4 1245 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [0,0,0,1,0,0|2,0,1]=4 1246 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [0,0,0,1,0,0|2,0,1]=4 1247 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [0,0,0,1,0,0|2,0,1]=4 1248 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,1,0,0|2,0,0]=3 1249 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,1,0,0|2,0,0]=3 1250 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,1,0,0|2,0,0]=3 1251 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,1,0,0|2,0,0]=3 1252 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,1,0,0|2,0,0]=3 1253 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,1,0,0|2,0,0]=3 1254 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,1,0,0|1,0,0]=2 1255 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,1,0,0|1,0,0]=2 1256 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,1,0,0|1,0,0]=2 1257 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,1,0,0|1,0,0]=2 1258 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,1,0,0|1,0,2]=4 1259 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,1,0,0|1,0,2]=4 1260 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,0,0,1,0,0|2,0,1]=4 1261 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,0,0,1,0,0|2,0,1]=4 1262 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,0,0,1,0,0|2,0,1]=4 1263 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,0,0,1,0,0|1,0,2]=4 1264 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,1,0,0|2,0,0]=3 1265 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,0,0,1,0,0|2,0,0]=3 1266 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,1,0,0|1,0,0]=2 1267 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,1,0,0|1,0,0]=2 1268 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,1,0,0|2,0,1]=4 1269 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,0,0,1,0,0|2,0,0]=3 1270 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,0,0,1,0,0|2,0,0]=3 1271 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,1,0,0|2,0,0]=3 1272 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,0,0,1,0,0|3,0,0]=4 1273 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,0,0,1,0,0|3,0,0]=4 1274 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,0,0,1,0,0|3,0,0]=4 1275 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,1,0,0|2,0,1]=4 1276 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,1,0,0|1,0,1]=3 1277 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,1,0,0|2,0,1]=4 1278 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,1,0,0|2,0,1]=4 1279 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,1,0,0|2,0,0]=3 1280 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,1,0,0|2,0,0]=3 1281 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,1,0,0|1,0,0]=2 1282 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,1,0,0|1,0,0]=2 1283 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,1,0,0|2,0,0]=3 1284 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,1,0,0|2,0,0]=3 1285 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,0,0,1,0,0|2,0,0]=3 1286 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,0,0,1,0,0|2,0,0]=3 1287 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,1,0,0|1,0,0]=2 1288 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,1,0,0|1,0,0]=2 1289 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,0,0,1,0,0|2,0,0]=3 1290 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,0,0,1,0,0|2,0,0]=3 1291 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [0,0,0,1,0,0|2,0,1]=4 1292 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [0,0,0,1,0,0|2,0,1]=4 1293 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [0,0,0,1,0,0|2,0,1]=4 1294 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [0,0,0,1,0,0|2,0,1]=4 1295 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [0,0,0,1,0,0|2,0,1]=4 1296 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [0,0,0,1,0,0|2,0,1]=4 1297 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,0,0,1,0,0|1,0,0]=2 1298 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [0,0,0,1,0,0|2,0,1]=4 1299 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [0,0,0,1,0,0|2,0,1]=4 1300 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [0,0,0,1,0,0|2,0,1]=4 1301 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [0,0,0,1,0,0|2,0,1]=4 1302 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [0,0,0,1,0,0|2,0,1]=4 1303 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,0|0,0,2]=3 1304 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,0,1,0,0|1,0,0]=2 1305 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,0,1,0,0|1,0,0]=2 1306 B7R1.12 CC(C)[C@@H]1C[C@H]1N MCULE-1713655941 [0,0,0,1,0,0|2,0,1]=4 1307 B7R1.12 CC(C)[C@@H]1C[C@H]1N MCULE-5926317826 [0,0,0,1,0,0|2,0,1]=4 1308 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,0|0,0,2]=3 1309 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,0,0,1,0,0|1,0,0]=2 1310 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,0,1,0,0|1,0,0]=2 1311 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,0|0,0,0]=1 1312 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,0,0,1,0,0|2,0,0]=3 1313 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [0,0,0,1,0,0|1,0,1]=3 1314 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,0|0,0,0]=1 1315 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,0|0,0,0]=1 1316 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,0|0,0,0]=1 1317 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,0|0,0,0]=1 1318 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,0|0,0,0]=1 1319 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,0|0,0,0]=1 1320 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [0,0,0,1,0,0|1,0,1]=3 1321 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,0|0,0,0]=1 1322 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,0|0,0,0]=1 1323 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,0|0,0,0]=1 1324 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,0,1,0,0|2,0,0]=3 1325 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,0,1,0,0|2,0,0]=3 1326 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,1,0,0|1,0,0]=2 1327 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,1,0,0|1,0,0]=2 1328 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,1,0,0|1,0,0]=2 1329 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,1,0,0|1,0,0]=2 1330 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,1,0,0|1,0,0]=2 1331 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,1,0,0|1,0,0]=2 1332 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,1,0,0|1,0,0]=2 1333 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,1,0,0|1,0,0]=2 1334 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,1,0,0|1,0,0]=2 1335 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,1,0,0|1,0,0]=2 1336 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,1,0,0|1,0,0]=2 1337 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,1,0,0|1,0,0]=2 1338 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,1,0,0|1,0,0]=2 1339 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,1,0,0|1,0,0]=2 1340 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,1,0,0|1,0,0]=2 1341 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,1,0,0|1,0,0]=2 1342 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,1,0,0|1,0,0]=2 1343 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,1,0,0|1,0,0]=2 1344 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,1,0,0|1,0,0]=2 1345 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,1,0,0|1,0,0]=2 1346 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,1,0,0|1,0,0]=2 1347 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,1,0,0|1,0,0]=2 1348 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,0|0,0,0]=1 1349 B7R1.16 CC1(CC(=O)C1)C MCULE-4306266527 [0,0,0,1,0,0|1,0,0]=2 1350 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [0,0,0,1,0,0|2,0,0]=3 1351 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [0,0,0,1,0,0|2,0,0]=3 1352 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,0,0,1,0,0|1,0,0]=2 1353 B7R1.16 CC1(CC(C1)Br)C MCULE-2265471373 [0,0,0,1,0,0|2,0,1]=4 1354 B7R1.16 CC1(CC(C1)N)C MCULE-8450516432 [0,0,0,1,0,0|2,0,1]=4 1355 B7R1.16 CC1(CC(C1)N)C MCULE-8841891654 [0,0,0,1,0,0|2,0,1]=4 1356 B7R1.16 CC1(CC(C1)N)O MCULE-4731102959 [0,0,0,1,0,0|2,0,1]=4 1357 B7R1.16 CC1(CC(C1)N)O MCULE-9310046804 [0,0,0,1,0,0|2,0,1]=4 1358 B7R1.16 CC1(CC(C1)O)C MCULE-3648206950 [0,0,0,1,0,0|1,0,1]=3 1359 B7R1.16 CC1(CC(C1)O)N MCULE-1038746550 [0,0,0,1,0,0|2,0,1]=4 1360 B7R1.16 CC1(CC(C1)O)N MCULE-9322183723 [0,0,0,1,0,0|2,0,1]=4 1361 B7R1.16 CC1CC(N1)(C)C MCULE-4439737144 [0,0,0,1,0,0|2,0,1]=4 1362 B7R1.16 C[C@@]1(C[C@@H](C1)N)O MCULE-2987812366 [0,0,0,1,0,0|2,0,1]=4 1363 B7R1.16 C[C@@]1(C[C@@H](C1)N)O MCULE-7967573609 [0,0,0,1,0,0|2,0,1]=4 1364 B7R1.16 C[C@@]1(C[C@@H](C1)O)N MCULE-6217394176 [0,0,0,1,0,0|2,0,1]=4 1365 B7R1.16 C[C@@]1(C[C@@H](C1)O)N MCULE-8859357729 [0,0,0,1,0,0|2,0,1]=4 1366 B7R1.16 C[C@@]1(C[C@H](C1)N)O MCULE-4536582361 [0,0,0,1,0,0|2,0,1]=4 1367 B7R1.16 C[C@@]1(C[C@H](C1)N)O MCULE-9705176834 [0,0,0,1,0,0|2,0,1]=4 1368 B7R1.16 C[C@@]1(C[C@H](C1)O)N MCULE-4910539354 [0,0,0,1,0,0|2,0,1]=4 1369 B7R1.16 C[C@@]1(C[C@H](C1)O)N MCULE-5459432358 [0,0,0,1,0,0|2,0,1]=4 1370 B7R1.16 NC1CS(=O)(=O)C1 MCULE-1434085604 [0,0,0,1,0,0|2,0,1]=4 1371 B7R1.16 NC1CS(=O)(=O)C1 MCULE-8044332494 [0,0,0,1,0,0|2,0,1]=4 1372 B7R1.16 O=C1CC(C1)(F)F MCULE-6471478479 [0,0,0,1,0,0|3,0,0]=4 1373 B7R1.16 O=S1(=O)CC(C1)Br MCULE-9320976413 [0,0,0,1,0,0|2,0,1]=4 1374 B7R1.16 O=S1(=O)CC(C1)Cl MCULE-7312536397 [0,0,0,1,0,0|2,0,1]=4 1375 B7R1.16 O=S1(=O)CC(C1)O MCULE-6917376424 [0,0,0,1,0,0|2,0,1]=4 1376 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [0,0,0,1,0,0|1,0,0]=2 1377 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [0,0,0,1,0,0|2,0,0]=3 1378 B7R1.20 CC(C)CC1CO1 MCULE-7259971470 [0,0,0,1,0,0|1,0,1]=3 1379 B7R1.20 CC(N)CC1CC1 MCULE-1913565015 [0,0,0,1,0,0|2,0,1]=4 1380 B7R1.20 CC(N)CC1CC1 MCULE-2214997571 [0,0,0,1,0,0|2,0,1]=4 1381 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [0,0,0,1,0,0|1,0,1]=3 1382 B7R1.20 CN(C)CC1CC1 MCULE-6678267289 [0,0,0,1,0,0|3,0,0]=4 1383 B7R1.20 CN(C)CC1CO1 MCULE-3116266625 [0,0,0,1,0,0|2,0,1]=4 1384 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [0,0,0,1,0,0|1,0,1]=3 1385 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [0,0,0,1,0,0|1,0,1]=3 1386 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [0,0,0,1,0,0|2,0,0]=3 1387 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [0,0,0,1,0,0|2,0,0]=3 1388 B7R1.20 N=C(N)NC1CC1 MCULE-6195253401 [0,0,0,1,0,0|3,0,0]=4 1389 B7R1.20 N=C(N)NC1CC1 MCULE-7842873377 [0,0,0,1,0,0|3,0,0]=4 1390 B7R1.20 N=C(N)NC1CC1 MCULE-9778544365 [0,0,0,1,0,0|3,0,0]=4 1391 B7R1.20 NC(=NC1CC1)N MCULE-4635451272 [0,0,0,1,0,0|3,0,0]=4 1392 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,0,0,1,0,0|1,0,0]=2 1393 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,0,0,1,0,0|2,0,0]=3 1394 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [0,0,0,1,0,0|2,0,0]=3 1395 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [0,0,0,1,0,0|1,1,0]=3 1396 B7R1.20 NC(=S)NC1CC1 MCULE-1691696534 [0,0,0,1,0,0|2,1,0]=4 1397 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [0,0,0,1,0,0|1,0,0]=2 1398 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [0,0,0,1,0,0|2,0,0]=3 1399 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [0,0,0,1,0,0|2,0,0]=3 1400 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,0,1,0,0|0,0,2]=3 1401 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,0,0,1,0,0|0,0,0]=1 1402 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,0,0,1,0,0|1,0,0]=2 1403 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,0,0,1,0,0|1,0,0]=2 1404 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [0,0,0,1,0,0|1,0,1]=3 1405 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [0,0,0,1,0,0|1,0,1]=3 1406 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [0,0,0,1,0,0|1,0,1]=3 1407 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [0,0,0,1,0,0|1,0,1]=3 1408 B7R1.32 CC1(CC1(C)C)C MCULE-6773491597 [0,0,0,1,0,0|2,0,1]=4 1409 B7R1.32 CC1(CC1(C)N)C MCULE-1970710225 [0,0,0,1,0,0|2,0,1]=4 1410 B7R1.32 CC1(CC1(C)N)C MCULE-7120484909 [0,0,0,1,0,0|2,0,1]=4 1411 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,1,0|1,0,2]=4 1412 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,1,0|1,0,2]=4 1413 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,1,0|1,0,2]=4 1414 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,1,0|1,0,2]=4 1415 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,1,0|0,0,2]=3 1416 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,1,0|0,0,3]=4 1417 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,1,0|0,0,3]=4 1418 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,1,0|0,0,3]=4 1419 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [0,0,0,0,1,0|2,0,0]=3 1420 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [0,0,0,0,1,0|3,0,0]=4 1421 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [0,0,0,0,1,0|3,0,0]=4 1422 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,1,0|1,0,2]=4 1423 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,1,0|1,0,2]=4 1424 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,0,0,0,1,0|2,0,1]=4 1425 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,0,0,0,1,0|2,0,1]=4 1426 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,1,0|2,0,1]=4 1427 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,1,0|2,0,1]=4 1428 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,1,0|2,0,1]=4 1429 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,1,0|1,0,1]=3 1430 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,1,0|1,0,2]=4 1431 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,1,0|1,0,2]=4 1432 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,1,0|1,0,2]=4 1433 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,0,0,0,1,0|2,0,0]=3 1434 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,0,0,0,1,0|1,0,0]=2 1435 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,0,0,0,1,0|2,0,0]=3 1436 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,0,0,0,1,0|2,0,0]=3 1437 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,0,0,1,0|2,0,0]=3 1438 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,0,0,1,0|2,0,0]=3 1439 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,1,0|2,0,0]=3 1440 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,0,0,0,1,0|2,0,0]=3 1441 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [0,0,0,0,1,0|3,0,0]=4 1442 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [0,0,0,0,1,0|3,0,0]=4 1443 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,0,0,0,1,0|2,0,0]=3 1444 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,0,0,0,1,0|3,0,0]=4 1445 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,0,0,1,0|2,0,0]=3 1446 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,0,0,1,0|2,0,0]=3 1447 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,0,0,1,0|2,0,0]=3 1448 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,0,0,1,0|2,0,0]=3 1449 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [0,0,0,0,1,0|2,1,0]=4 1450 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,0,0,0,1,0|2,0,0]=3 1451 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,0,0,0,1,0|2,0,0]=3 1452 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,0,0,0,1,0|2,0,0]=3 1453 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,1,0|1,0,0]=2 1454 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,1,0|1,0,0]=2 1455 B5R0.5 CC(C)B(O)O MCULE-1255589444 [0,0,0,0,1,0|1,0,1]=3 1456 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,0,0,0,1,0|2,0,0]=3 1457 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,0,0,0,1,0|2,0,0]=3 1458 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,0,0,0,1,0|1,0,0]=2 1459 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,0,0,0,1,0|1,0,0]=2 1460 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,0,0,0,1,0|1,0,0]=2 1461 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,1,0|0,0,0]=1 1462 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,0,0,0,1,0|0,1,0]=2 1463 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,0,0,0,1,0|1,1,0]=3 1464 B5R0.5 CC(C)C(C)Br MCULE-8934980523 [0,0,0,0,1,0|2,0,1]=4 1465 B5R0.5 CC(C)C(C)C MCULE-7887644548 [0,0,0,0,1,0|2,0,1]=4 1466 B5R0.5 CC(C)C(C)I MCULE-7528764320 [0,0,0,0,1,0|2,0,1]=4 1467 B5R0.5 CC(C)C(C)N MCULE-1630754475 [0,0,0,0,1,0|2,0,1]=4 1468 B5R0.5 CC(C)C(C)N MCULE-1801901816 [0,0,0,0,1,0|2,0,1]=4 1469 B5R0.5 CC(C)C(C)N MCULE-3544463874 [0,0,0,0,1,0|2,0,1]=4 1470 B5R0.5 CC(C)C(C)N MCULE-4774844065 [0,0,0,0,1,0|2,0,1]=4 1471 B5R0.5 CC(C)C(C)O MCULE-4829392845 [0,0,0,0,1,0|1,0,1]=3 1472 B5R0.5 CC(C)C(C)S MCULE-7489203323 [0,0,0,0,1,0|1,1,1]=4 1473 B5R0.5 CC(C)C(I)I MCULE-6684789578 [0,0,0,0,1,0|2,0,1]=4 1474 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [0,0,0,0,1,0|1,0,1]=3 1475 B5R0.5 CC(C)N(C)C MCULE-1993251030 [0,0,0,0,1,0|3,0,0]=4 1476 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [0,0,0,0,1,0|2,0,0]=3 1477 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,0,0,0,1,0|1,0,0]=2 1478 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [0,0,0,0,1,0|1,0,1]=3 1479 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [0,0,0,0,1,0|2,0,1]=4 1480 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [0,0,0,0,1,0|2,0,1]=4 1481 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [0,0,0,0,1,0|2,0,1]=4 1482 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [0,0,0,0,1,0|1,0,1]=3 1483 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [0,0,0,0,1,0|2,0,1]=4 1484 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [0,0,0,0,1,0|2,0,1]=4 1485 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [0,0,0,0,1,0|2,0,1]=4 1486 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [0,0,0,0,1,0|1,0,1]=3 1487 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [0,0,0,0,1,0|1,0,1]=3 1488 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [0,0,0,0,1,0|3,0,0]=4 1489 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [0,0,0,0,1,0|3,0,0]=4 1490 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,0,0,0,1,0|2,0,0]=3 1491 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,0,0,0,1,0|2,0,0]=3 1492 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,1,0|1,0,0]=2 1493 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,1,0|1,0,0]=2 1494 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,1,0|1,0,0]=2 1495 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,0,0,0,1,0|2,0,0]=3 1496 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,0,0,0,1,0|2,0,0]=3 1497 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,0,0,0,1,0|2,0,0]=3 1498 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,0,0,0,1,0|2,0,0]=3 1499 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,0,0,0,1,0|2,0,0]=3 1500 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,0,0,0,1,0|2,0,0]=3 1501 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,0,0,0,1,0|2,0,0]=3 1502 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,1,0|1,0,0]=2 1503 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,1,0|1,0,0]=2 1504 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,1,0|1,0,0]=2 1505 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,1,0|1,0,0]=2 1506 B5R0.5 CC(N)C(C)O MCULE-3512899672 [0,0,0,0,1,0|2,0,1]=4 1507 B5R0.5 CC(N)C(C)O MCULE-6286987696 [0,0,0,0,1,0|2,0,1]=4 1508 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [0,0,0,0,1,0|3,0,0]=4 1509 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [0,0,0,0,1,0|3,0,0]=4 1510 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,0,0,1,0|2,0,0]=3 1511 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,0,0,1,0|2,0,0]=3 1512 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,1,0|1,0,0]=2 1513 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,1,0|1,0,0]=2 1514 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,0,0,0,1,0|1,0,1]=3 1515 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,0,0,0,1,0|1,0,1]=3 1516 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,0,0,0,1,0|1,0,1]=3 1517 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [0,0,0,0,1,0|2,0,1]=4 1518 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [0,0,0,0,1,0|2,0,1]=4 1519 B5R0.5 CC(O)C(C)O MCULE-2858785316 [0,0,0,0,1,0|2,0,1]=4 1520 B5R0.5 CC(O)C(C)S MCULE-3741743569 [0,0,0,0,1,0|2,0,1]=4 1521 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,0,0,0,1,0|2,0,0]=3 1522 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,1,0|1,0,0]=2 1523 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [0,0,0,0,1,0|3,0,0]=4 1524 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [0,0,0,0,1,0|3,0,0]=4 1525 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [0,0,0,0,1,0|3,0,0]=4 1526 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [0,0,0,0,1,0|3,0,0]=4 1527 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,0,0,0,1,0|2,0,0]=3 1528 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,0,0,0,1,0|2,0,0]=3 1529 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,1,0|1,0,0]=2 1530 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,0,0,0,1,0|1,0,1]=3 1531 B5R0.5 CN(C)C(=S)Cl MCULE-5232126468 [0,0,0,0,1,0|2,1,0]=4 1532 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [0,0,0,0,1,0|2,1,0]=4 1533 B5R0.5 CN(C)C(=S)S MCULE-4296425055 [0,0,0,0,1,0|1,2,0]=4 1534 B5R0.5 CN(C)C(=S)S MCULE-5159570847 [0,0,0,0,1,0|1,2,0]=4 1535 B5R0.5 CN(C)C(=S)[S-] MCULE-6390941151 [0,0,0,0,1,0|1,2,0]=4 1536 B5R0.5 CN(C)C(=S)[S-] MCULE-7709633048 [0,0,0,0,1,0|1,2,0]=4 1537 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,0,0,0,1,0|3,0,0]=4 1538 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,1,0|1,0,0]=2 1539 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,1,0|1,0,0]=2 1540 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,0,0,0,1,0|2,0,0]=3 1541 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,1,0|1,0,0]=2 1542 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,1,0|1,0,0]=2 1543 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,0,0,0,1,0|2,0,0]=3 1544 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,0,0,0,1,0|2,0,0]=3 1545 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,0,0,0,1,0|2,0,0]=3 1546 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,0,0,0,1,0|2,0,0]=3 1547 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,0,0,0,1,0|2,0,0]=3 1548 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,1,0|1,0,0]=2 1549 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,1,0|1,0,0]=2 1550 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [0,0,0,0,1,0|2,0,1]=4 1551 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [0,0,0,0,1,0|2,0,1]=4 1552 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [0,0,0,0,1,0|2,0,1]=4 1553 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [0,0,0,0,1,0|2,0,1]=4 1554 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [0,0,0,0,1,0|2,0,1]=4 1555 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [0,0,0,0,1,0|3,0,0]=4 1556 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [0,0,0,0,1,0|3,0,0]=4 1557 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [0,0,0,0,1,0|3,0,0]=4 1558 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [0,0,0,0,1,0|3,0,0]=4 1559 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,0,0,1,0|2,0,0]=3 1560 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,0,0,1,0|2,0,0]=3 1561 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,1,0|1,0,0]=2 1562 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,1,0|1,0,0]=2 1563 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,0,0,0,1,0|1,0,1]=3 1564 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,0,0,0,1,0|1,0,1]=3 1565 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,0,0,0,1,0|1,0,1]=3 1566 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [0,0,0,0,1,0|2,0,1]=4 1567 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [0,0,0,0,1,0|2,0,1]=4 1568 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [0,0,0,0,1,0|2,0,1]=4 1569 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,0,0,0,1,0|2,0,0]=3 1570 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,1,0|1,0,0]=2 1571 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,1,0|1,0,0]=2 1572 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,1,0|1,0,0]=2 1573 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,1,0|1,0,0]=2 1574 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,0,0,0,1,0|2,0,0]=3 1575 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,0,0,0,1,0|2,0,0]=3 1576 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,0,0,0,1,0|2,0,0]=3 1577 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,0,0,0,1,0|2,0,0]=3 1578 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,0,0,0,1,0|2,0,0]=3 1579 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,0,0,0,1,0|2,0,0]=3 1580 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,0,0,0,1,0|2,0,0]=3 1581 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,0,0,0,1,0|2,0,0]=3 1582 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,0,0,0,1,0|2,0,0]=3 1583 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,1,0|1,0,0]=2 1584 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,1,0|1,0,0]=2 1585 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,1,0|1,0,0]=2 1586 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,1,0|1,0,0]=2 1587 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [0,0,0,0,1,0|2,0,1]=4 1588 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [0,0,0,0,1,0|2,0,1]=4 1589 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [0,0,0,0,1,0|2,0,1]=4 1590 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [0,0,0,0,1,0|2,0,1]=4 1591 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [0,0,0,0,1,0|2,0,1]=4 1592 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [0,0,0,0,1,0|2,0,1]=4 1593 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,0,0,1,0|2,0,0]=3 1594 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,1,0|1,0,0]=2 1595 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,1,0|1,0,0]=2 1596 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,0,0,0,1,0|1,0,1]=3 1597 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,0,0,0,1,0|1,0,1]=3 1598 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,0,0,0,1,0|1,0,1]=3 1599 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,0,0,0,1,0|1,0,1]=3 1600 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,0,0,0,1,0|1,0,1]=3 1601 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [0,0,0,0,1,0|2,0,1]=4 1602 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [0,0,0,0,1,0|2,0,1]=4 1603 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [0,0,0,0,1,0|2,0,1]=4 1604 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [0,0,0,0,1,0|2,0,1]=4 1605 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [0,0,0,0,1,0|2,0,1]=4 1606 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [0,0,0,0,1,0|2,0,1]=4 1607 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [0,0,0,0,1,0|2,0,1]=4 1608 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [0,0,0,0,1,0|2,0,1]=4 1609 B5R0.5 C[N+](=C(Cl)Cl)C MCULE-8024225536 [0,0,0,0,1,0|3,0,0]=4 1610 B5R0.5 C[N+](=C(Cl)Cl)C MCULE-9306949257 [0,0,0,0,1,0|3,0,0]=4 1611 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,1,0|2,0,1]=4 1612 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [0,0,0,0,1,0|3,0,0]=4 1613 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [0,0,0,0,1,0|3,0,0]=4 1614 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [0,0,0,0,1,0|3,0,0]=4 1615 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [0,0,0,0,1,0|3,0,0]=4 1616 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [0,0,0,0,1,0|3,0,0]=4 1617 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [0,0,0,0,1,0|3,0,0]=4 1618 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,1,0|2,0,0]=3 1619 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [0,0,0,0,1,0|3,0,0]=4 1620 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [0,0,0,0,1,0|3,0,0]=4 1621 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [0,0,0,0,1,0|3,0,0]=4 1622 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [0,0,0,0,1,0|3,0,0]=4 1623 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,1,0|2,0,1]=4 1624 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,1,0|2,0,1]=4 1625 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,1,0|2,0,1]=4 1626 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,1,0|2,0,1]=4 1627 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,1,0|2,0,1]=4 1628 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,1,0|2,0,1]=4 1629 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,1,0|2,0,1]=4 1630 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,1,0|2,0,1]=4 1631 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,1,0|2,0,1]=4 1632 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,1,0|2,0,1]=4 1633 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,1,0|2,0,1]=4 1634 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,0,0,0,1,0|2,0,0]=3 1635 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,0,0,0,1,0|2,0,0]=3 1636 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,0,0,0,1,0|2,0,0]=3 1637 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,0,0,0,1,0|2,0,0]=3 1638 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,0,0,0,1,0|2,0,0]=3 1639 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,0,0,0,1,0|2,0,0]=3 1640 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,0,0,0,1,0|2,0,0]=3 1641 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,1,0|2,0,0]=3 1642 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,0,0,0,1,0|2,0,0]=3 1643 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,0,0,0,1,0|2,0,0]=3 1644 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [0,0,0,0,1,0|2,0,1]=4 1645 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [0,0,0,0,1,0|2,0,1]=4 1646 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [0,0,0,0,1,0|2,0,1]=4 1647 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [0,0,0,0,1,0|3,0,0]=4 1648 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,0,0,1,0|2,0,0]=3 1649 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1016641329 [0,0,0,0,1,0|3,0,0]=4 1650 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1067760866 [0,0,0,0,1,0|3,0,0]=4 1651 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,1|1,0,2]=4 1652 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,1|1,0,2]=4 1653 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,1|1,0,2]=4 1654 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,1|0,0,2]=3 1655 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [0,0,0,0,0,1|3,0,0]=4 1656 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [0,0,0,0,0,1|2,0,0]=3 1657 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [0,0,0,0,0,1|3,0,0]=4 1658 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,0,0,0,0,1|3,0,0]=4 1659 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,1|1,0,2]=4 1660 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,1|0,0,2]=3 1661 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,1|1,0,2]=4 1662 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,1|0,0,1]=2 1663 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,1|0,0,2]=3 1664 B7R0.6 CC(=CCC(C)C)C MCULE-5578852998 [0,0,0,0,0,1|2,0,0]=3 1665 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,0,0,0,0,1|2,0,1]=4 1666 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,1|1,0,2]=4 1667 B7R0.6 CC(=O)/C=C/N(C)C MCULE-7703636114 [0,0,0,0,0,1|2,0,1]=4 1668 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,1|1,0,2]=4 1669 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [0,0,0,0,0,1|1,0,1]=3 1670 B7R0.6 CC(=O)C=CN(C)C MCULE-2800987098 [0,0,0,0,0,1|2,0,1]=4 1671 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,1|2,0,1]=4 1672 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,1|2,0,1]=4 1673 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,1|1,0,1]=3 1674 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,1|1,0,2]=4 1675 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,0,0,0,0,1|1,0,0]=2 1676 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,0,0,0,0,1|3,0,0]=4 1677 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,0,0,0,0,1|2,0,0]=3 1678 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,0,0,0,0,1|2,0,0]=3 1679 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,1|2,0,1]=4 1680 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,1|2,0,1]=4 1681 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,0,0,0,0,1|1,0,0]=2 1682 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,0,0,0,0,1|1,0,0]=2 1683 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,1|2,0,1]=4 1684 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,0,0,0,0,1|1,0,0]=2 1685 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,0,0,0,0,1|1,0,0]=2 1686 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,1|2,0,1]=4 1687 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,1|2,0,1]=4 1688 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,1|1,0,1]=3 1689 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,1|2,0,0]=3 1690 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,0,0,0,0,1|2,0,1]=4 1691 B7R0.6 CC(=O)NNC(C)C MCULE-8896858149 [0,0,0,0,0,1|2,0,0]=3 1692 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,1|2,0,1]=4 1693 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,1|1,0,1]=3 1694 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,0,0,0,0,1|1,0,0]=2 1695 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,1|2,0,0]=3 1696 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [0,0,0,0,0,1|3,0,0]=4 1697 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,0,0,0,0,1|2,0,1]=4 1698 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,1|1,0,1]=3 1699 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,1|1,0,1]=3 1700 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,0,0,0,0,1|0,0,1]=2 1701 B7R0.6 CC(C)/C=C/N(=O)=O MCULE-8386755735 [0,0,0,0,0,1|1,0,2]=4 1702 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,0,0,0,0,1|0,0,1]=2 1703 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,0,0,0,0,1|0,0,1]=2 1704 B7R0.6 CC(C)C=C[N+](=O)[O-] MCULE-1892466644 [0,0,0,0,0,1|1,0,2]=4 1705 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [0,0,0,0,0,1|1,0,1]=3 1706 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [0,0,0,0,0,1|2,0,0]=3 1707 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [0,0,0,0,0,1|2,0,0]=3 1708 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,0,0,0,0,1|1,0,0]=2 1709 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,0,0,0,0,1|1,0,0]=2 1710 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,1|0,0,0]=1 1711 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [0,0,0,0,0,1|1,1,0]=3 1712 B7R0.6 CC(C)CCC(C)Br MCULE-4005079361 [0,0,0,0,0,1|2,0,1]=4 1713 B7R0.6 CC(C)CCC(C)C MCULE-4093485278 [0,0,0,0,0,1|2,0,1]=4 1714 B7R0.6 CC(C)CCC(C)N MCULE-3038746969 [0,0,0,0,0,1|2,0,1]=4 1715 B7R0.6 CC(C)CCC(C)N MCULE-7972635029 [0,0,0,0,0,1|2,0,1]=4 1716 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [0,0,0,0,0,1|1,0,1]=3 1717 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [0,0,0,0,0,1|1,0,1]=3 1718 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,0,0,0,0,1|1,0,0]=2 1719 B7R0.6 CC(C)CNC(=S)N MCULE-4099725026 [0,0,0,0,0,1|1,1,0]=3 1720 B7R0.6 CC(C)CNC(C)C MCULE-1556200503 [0,0,0,0,0,1|2,0,1]=4 1721 B7R0.6 CC(C)CNC(C)C MCULE-9703437877 [0,0,0,0,0,1|2,0,1]=4 1722 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,0,0,0,0,1|1,0,0]=2 1723 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,0,0,0,0,1|1,0,0]=2 1724 B7R0.6 CC(C)COC(=S)[S-] MCULE-2950087835 [0,0,0,0,0,1|0,2,0]=3 1725 B7R0.6 CC(C)COC(=S)[S-] MCULE-9454360265 [0,0,0,0,0,1|0,2,0]=3 1726 B7R0.6 CC(C)CSC(=N)N MCULE-3628542246 [0,0,0,0,0,1|2,0,0]=3 1727 B7R0.6 CC(C)CSC(=N)N MCULE-5586193026 [0,0,0,0,0,1|2,0,0]=3 1728 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,0,0,0,0,1|1,0,0]=2 1729 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,0,0,0,0,1|1,0,0]=2 1730 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,0,0,0,0,1|1,0,0]=2 1731 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,1|0,0,0]=1 1732 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,1|0,0,0]=1 1733 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,0,0,0,0,1|1,0,0]=2 1734 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,1|0,0,0]=1 1735 B7R0.6 CC(C)OCC(=S)N MCULE-8843903229 [0,0,0,0,0,1|1,1,0]=3 1736 B7R0.6 CC(C)OC[C@H](C)O MCULE-2195035455 [0,0,0,0,0,1|1,0,1]=3 1737 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,1|0,0,0]=1 1738 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,0,0,0,0,1|2,0,0]=3 1739 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,1|1,0,0]=2 1740 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,1|1,0,0]=2 1741 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [0,0,0,0,0,1|3,0,0]=4 1742 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [0,0,0,0,0,1|3,0,0]=4 1743 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,1|1,0,0]=2 1744 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,0,1|1,0,1]=3 1745 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [0,0,0,0,0,1|2,0,1]=4 1746 B7R0.6 CC(O)CCN(C)C MCULE-7246080230 [0,0,0,0,0,1|2,0,1]=4 1747 B7R0.6 CC(O)CNC(C)C MCULE-9932831006 [0,0,0,0,0,1|1,0,1]=3 1748 B7R0.6 CC(O)COC(C)C MCULE-3357280817 [0,0,0,0,0,1|1,0,1]=3 1749 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,1|1,0,0]=2 1750 B7R0.6 CN(C)CCC(=N)N MCULE-3452380324 [0,0,0,0,0,1|3,0,0]=4 1751 B7R0.6 CN(C)CCC(=N)N MCULE-7661734671 [0,0,0,0,0,1|3,0,0]=4 1752 B7R0.6 CN(C)CCC(=N)N MCULE-9745909230 [0,0,0,0,0,1|3,0,0]=4 1753 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,1|1,0,0]=2 1754 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,1|1,0,0]=2 1755 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,1|2,0,0]=3 1756 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,1|1,0,0]=2 1757 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,1|1,0,0]=2 1758 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,1|1,0,0]=2 1759 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,1|1,0,0]=2 1760 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [0,0,0,0,0,1|2,0,1]=4 1761 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [0,0,0,0,0,1|2,0,1]=4 1762 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [0,0,0,0,0,1|2,0,1]=4 1763 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,1|1,0,0]=2 1764 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,1|1,0,0]=2 1765 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,1|1,0,0]=2 1766 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [0,0,0,0,0,1|2,0,1]=4 1767 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [0,0,0,0,0,1|2,0,1]=4 1768 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,1|1,0,0]=2 1769 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,1|1,0,0]=2 1770 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,0,0,0,0,1|1,0,1]=3 1771 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,1|2,0,1]=4 1772 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,1|2,0,1]=4 1773 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,1|2,0,1]=4 1774 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,1|2,0,1]=4 1775 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,1|2,0,1]=4 1776 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,1|2,0,1]=4 1777 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,1|2,0,1]=4 1778 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,1|2,0,1]=4 1779 B7R0.6 O=C(Cl)OCC(F)F MCULE-4977819635 [0,0,0,0,0,1|3,0,0]=4 1780 B7R0.6 O=C(O)C=CC(F)F MCULE-5853046592 [0,0,0,0,0,1|2,0,1]=4 1781 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,1|3,0,0]=4 1782 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,1|2,0,1]=4 1783 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,1|2,0,1]=4 1784 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,1|2,0,0]=3 1785 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,1|3,0,0]=4 1786 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,1|2,0,0]=3 1787 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,1|2,0,0]=3 1788 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,1|2,0,1]=4 1789 B7R0.6 O=C([O-])CSC(F)F MCULE-1738110888 [0,0,0,0,0,1|2,0,1]=4 1790 B4R0.1 C#CC(=O)O MCULE-8764256624 [2,0,0,0,0,0|0,0,2]=4 1791 B4R0.1 C#CC(C)C MCULE-4600802925 [2,0,0,0,0,0|0,0,2]=4 1792 B4R0.1 C(C)(N)CN MCULE-5877041140 [2,0,0,0,0,0|2,0,0]=4 1793 B4R0.1 C(C)(N)CO MCULE-5844242932 [2,0,0,0,0,0|1,0,0]=3 1794 B4R0.1 C=C(Br)CC MCULE-6271946451 [2,0,0,0,0,0|2,0,0]=4 1795 B4R0.1 C=C(C)C=O MCULE-3758355501 [2,0,0,0,0,0|0,0,2]=4 1796 B4R0.1 C=C(C)CO MCULE-8641288398 [2,0,0,0,0,0|0,0,2]=4 1797 B4R0.1 C=C=C(C)C MCULE-8705186354 [2,0,0,0,0,0|0,0,2]=4 1798 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|0,0,2]=4 1799 B4R0.1 C=CC(C)Cl MCULE-1756172983 [2,0,0,0,0,0|1,0,1]=4 1800 B4R0.1 C=CC(C)N MCULE-5748048106 [2,0,0,0,0,0|1,0,1]=4 1801 B4R0.1 C=CC(C)N MCULE-6786590923 [2,0,0,0,0,0|1,0,1]=4 1802 B4R0.1 C=CC(C)O MCULE-4525368256 [2,0,0,0,0,0|1,0,1]=4 1803 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [2,0,0,0,0,0|1,0,1]=4 1804 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [2,0,0,0,0,0|1,0,1]=4 1805 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [2,0,0,0,0,0|1,0,1]=4 1806 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [2,0,0,0,0,0|1,0,1]=4 1807 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [2,0,0,0,0,0|1,0,1]=4 1808 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [2,0,0,0,0,0|1,0,1]=4 1809 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [2,0,0,0,0,0|1,0,1]=4 1810 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [2,0,0,0,0,0|1,0,1]=4 1811 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [2,0,0,0,0,0|1,0,1]=4 1812 B4R0.1 C=NN(C)C MCULE-4915917395 [2,0,0,0,0,0|2,0,0]=4 1813 B4R0.1 CC(=CBr)C MCULE-9508381610 [2,0,0,0,0,0|1,0,1]=4 1814 B4R0.1 CC(=CCl)C MCULE-4321554138 [2,0,0,0,0,0|1,0,1]=4 1815 B4R0.1 CC(=NO)C MCULE-3243100216 [2,0,0,0,0,0|1,0,1]=4 1816 B4R0.1 CC(=O)C=O MCULE-2718961814 [2,0,0,0,0,0|1,0,1]=4 1817 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|2,0,0]=4 1818 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|2,0,0]=4 1819 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|2,0,0]=4 1820 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|2,0,0]=4 1821 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|2,0,0]=4 1822 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|1,0,1]=4 1823 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|2,0,0]=4 1824 B4R0.1 CC(Br)C=O MCULE-6060704330 [2,0,0,0,0,0|1,0,0]=3 1825 B4R0.1 CC(Br)CBr MCULE-6304574748 [2,0,0,0,0,0|2,0,0]=4 1826 B4R0.1 CC(Br)CCl MCULE-8021380791 [2,0,0,0,0,0|2,0,0]=4 1827 B4R0.1 CC(Br)CN MCULE-5214613046 [2,0,0,0,0,0|2,0,0]=4 1828 B4R0.1 CC(Br)CN MCULE-6326218362 [2,0,0,0,0,0|2,0,0]=4 1829 B4R0.1 CC(Br)CO MCULE-8344365003 [2,0,0,0,0,0|1,0,0]=3 1830 B4R0.1 CC(C)C#N MCULE-8390118776 [2,0,0,0,0,0|1,0,1]=4 1831 B4R0.1 CC(C)C=O MCULE-3575731904 [2,0,0,0,0,0|0,0,0]=2 1832 B4R0.1 CC(C)CBr MCULE-6039420480 [2,0,0,0,0,0|1,0,0]=3 1833 B4R0.1 CC(C)CCl MCULE-6524976746 [2,0,0,0,0,0|1,0,0]=3 1834 B4R0.1 CC(C)CI MCULE-5280589461 [2,0,0,0,0,0|1,0,0]=3 1835 B4R0.1 CC(C)CN MCULE-2158650588 [2,0,0,0,0,0|1,0,0]=3 1836 B4R0.1 CC(C)CN MCULE-6751437658 [2,0,0,0,0,0|1,0,0]=3 1837 B4R0.1 CC(C)CN MCULE-8319193456 [2,0,0,0,0,0|1,0,0]=3 1838 B4R0.1 CC(C)CN MCULE-8705657065 [2,0,0,0,0,0|1,0,0]=3 1839 B4R0.1 CC(C)CO MCULE-6294327194 [2,0,0,0,0,0|0,0,0]=2 1840 B4R0.1 CC(C)CP MCULE-3724358658 [2,0,0,0,0,0|1,0,0]=3 1841 B4R0.1 CC(C)CS MCULE-7978911055 [2,0,0,0,0,0|0,1,0]=3 1842 B4R0.1 CC(C)NN MCULE-4673953224 [2,0,0,0,0,0|2,0,0]=4 1843 B4R0.1 CC(C)NN MCULE-7901160798 [2,0,0,0,0,0|2,0,0]=4 1844 B4R0.1 CC(C)NN MCULE-9473118288 [2,0,0,0,0,0|2,0,0]=4 1845 B4R0.1 CC(C)NO MCULE-6516566403 [2,0,0,0,0,0|1,0,0]=3 1846 B4R0.1 CC(C)NO MCULE-8545146035 [2,0,0,0,0,0|1,0,0]=3 1847 B4R0.1 CC(C)ON MCULE-4063407094 [2,0,0,0,0,0|2,0,0]=4 1848 B4R0.1 CC(C)ON MCULE-9108231771 [2,0,0,0,0,0|2,0,0]=4 1849 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [2,0,0,0,0,0|2,0,0]=4 1850 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [2,0,0,0,0,0|2,0,0]=4 1851 B4R0.1 CC(Cl)CBr MCULE-8474943880 [2,0,0,0,0,0|2,0,0]=4 1852 B4R0.1 CC(Cl)CCl MCULE-1548912109 [2,0,0,0,0,0|2,0,0]=4 1853 B4R0.1 CC(Cl)CN MCULE-2637316379 [2,0,0,0,0,0|2,0,0]=4 1854 B4R0.1 CC(Cl)CN MCULE-5591419030 [2,0,0,0,0,0|2,0,0]=4 1855 B4R0.1 CC(Cl)CO MCULE-3857255988 [2,0,0,0,0,0|1,0,0]=3 1856 B4R0.1 CC(Cl)CO MCULE-7538548427 [2,0,0,0,0,0|1,0,0]=3 1857 B4R0.1 CC(F)CN MCULE-6584490651 [2,0,0,0,0,0|2,0,0]=4 1858 B4R0.1 CC(F)CN MCULE-9499916116 [2,0,0,0,0,0|2,0,0]=4 1859 B4R0.1 CC(F)CO MCULE-6006763378 [2,0,0,0,0,0|1,0,0]=3 1860 B4R0.1 CC(N)C=O MCULE-3421118418 [2,0,0,0,0,0|1,0,0]=3 1861 B4R0.1 CC(N)CBr MCULE-1783493149 [2,0,0,0,0,0|2,0,0]=4 1862 B4R0.1 CC(N)CBr MCULE-2775398297 [2,0,0,0,0,0|2,0,0]=4 1863 B4R0.1 CC(N)CCl MCULE-8652434595 [2,0,0,0,0,0|2,0,0]=4 1864 B4R0.1 CC(N)CCl MCULE-9580466630 [2,0,0,0,0,0|2,0,0]=4 1865 B4R0.1 CC(N)CF MCULE-1603143200 [2,0,0,0,0,0|2,0,0]=4 1866 B4R0.1 CC(N)CF MCULE-3787216870 [2,0,0,0,0,0|2,0,0]=4 1867 B4R0.1 CC(N)CF MCULE-4138869746 [2,0,0,0,0,0|2,0,0]=4 1868 B4R0.1 CC(N)CF MCULE-8611760275 [2,0,0,0,0,0|2,0,0]=4 1869 B4R0.1 CC(N)CN MCULE-2119036110 [2,0,0,0,0,0|2,0,0]=4 1870 B4R0.1 CC(N)CN MCULE-6286216576 [2,0,0,0,0,0|2,0,0]=4 1871 B4R0.1 CC(N)CN MCULE-9919433465 [2,0,0,0,0,0|2,0,0]=4 1872 B4R0.1 CC(N)CO MCULE-1361379423 [2,0,0,0,0,0|1,0,0]=3 1873 B4R0.1 CC(N)CO MCULE-2098440985 [2,0,0,0,0,0|1,0,0]=3 1874 B4R0.1 CC(N)CS MCULE-1396853557 [2,0,0,0,0,0|1,1,0]=4 1875 B4R0.1 CC(N)CS MCULE-4094732666 [2,0,0,0,0,0|1,1,0]=4 1876 B4R0.1 CC(O)CBr MCULE-7835094737 [2,0,0,0,0,0|2,0,0]=4 1877 B4R0.1 CC(O)CCl MCULE-9140807958 [2,0,0,0,0,0|2,0,0]=4 1878 B4R0.1 CC(O)CF MCULE-1023052065 [2,0,0,0,0,0|2,0,0]=4 1879 B4R0.1 CC(O)CN MCULE-4370440652 [2,0,0,0,0,0|2,0,0]=4 1880 B4R0.1 CC(O)CN MCULE-5694317743 [2,0,0,0,0,0|2,0,0]=4 1881 B4R0.1 CC(O)CN MCULE-6406041538 [2,0,0,0,0,0|2,0,0]=4 1882 B4R0.1 CC(O)CN MCULE-6636652305 [2,0,0,0,0,0|2,0,0]=4 1883 B4R0.1 CC(O)CO MCULE-5574440784 [2,0,0,0,0,0|1,0,0]=3 1884 B4R0.1 CC(O)CO MCULE-8743139013 [2,0,0,0,0,0|1,0,0]=3 1885 B4R0.1 CC(O)CS MCULE-7881083356 [2,0,0,0,0,0|1,1,0]=4 1886 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [2,0,0,0,0,0|2,0,0]=4 1887 B4R0.1 CC(S)CN MCULE-1957568322 [2,0,0,0,0,0|2,0,0]=4 1888 B4R0.1 CC(S)CN MCULE-7469442412 [2,0,0,0,0,0|2,0,0]=4 1889 B4R0.1 CC(S)CO MCULE-5090908062 [2,0,0,0,0,0|1,0,0]=3 1890 B4R0.1 CC(S)CS MCULE-9264694858 [2,0,0,0,0,0|1,1,0]=4 1891 B4R0.1 CC=C(C)C MCULE-4230157245 [2,0,0,0,0,0|1,0,1]=4 1892 B4R0.1 CCB(O)O MCULE-1650960999 [2,0,0,0,0,0|1,0,1]=4 1893 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|2,0,0]=4 1894 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|2,0,0]=4 1895 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,0]=3 1896 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|1,0,0]=3 1897 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,0]=3 1898 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,0]=3 1899 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|1,0,0]=3 1900 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|0,0,0]=2 1901 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|0,0,0]=2 1902 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|0,1,0]=3 1903 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|0,0,1]=3 1904 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|1,1,0]=4 1905 B4R0.1 CCC(C)Br MCULE-9661620259 [2,0,0,0,0,0|1,0,1]=4 1906 B4R0.1 CCC(C)C MCULE-5376105936 [2,0,0,0,0,0|0,0,1]=3 1907 B4R0.1 CCC(C)Cl MCULE-2954418486 [2,0,0,0,0,0|1,0,1]=4 1908 B4R0.1 CCC(C)I MCULE-5239699587 [2,0,0,0,0,0|1,0,1]=4 1909 B4R0.1 CCC(C)N MCULE-5041676035 [2,0,0,0,0,0|1,0,1]=4 1910 B4R0.1 CCC(C)N MCULE-5835091553 [2,0,0,0,0,0|1,0,1]=4 1911 B4R0.1 CCC(C)N MCULE-6631606230 [2,0,0,0,0,0|1,0,1]=4 1912 B4R0.1 CCC(C)N MCULE-8165681721 [2,0,0,0,0,0|1,0,1]=4 1913 B4R0.1 CCC(C)O MCULE-4099350806 [2,0,0,0,0,0|1,0,1]=4 1914 B4R0.1 CCC(C)O MCULE-5005120003 [2,0,0,0,0,0|1,0,1]=4 1915 B4R0.1 CCC(C)S MCULE-4988033753 [2,0,0,0,0,0|1,0,1]=4 1916 B4R0.1 CCN(=O)=O MCULE-6603591614 [2,0,0,0,0,0|1,0,1]=4 1917 B4R0.1 CCN(C)C MCULE-5825033552 [2,0,0,0,0,0|1,0,1]=4 1918 B4R0.1 CCS(=O)C MCULE-4400935745 [2,0,0,0,0,0|2,0,0]=4 1919 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,0]=3 1920 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [2,0,0,0,0,0|1,0,1]=4 1921 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [2,0,0,0,0,0|1,0,1]=4 1922 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [2,0,0,0,0,0|1,0,1]=4 1923 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [2,0,0,0,0,0|1,0,1]=4 1924 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [2,0,0,0,0,0|1,0,1]=4 1925 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [2,0,0,0,0,0|1,0,1]=4 1926 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [2,0,0,0,0,0|1,0,1]=4 1927 B4R0.1 CC[C@H](C)N MCULE-2450201533 [2,0,0,0,0,0|1,0,1]=4 1928 B4R0.1 CC[C@H](C)N MCULE-2998961427 [2,0,0,0,0,0|1,0,1]=4 1929 B4R0.1 CC[C@H](C)N MCULE-6692190471 [2,0,0,0,0,0|1,0,1]=4 1930 B4R0.1 CC[C@H](C)N MCULE-6904795465 [2,0,0,0,0,0|1,0,1]=4 1931 B4R0.1 CC[C@H](C)O MCULE-3700911573 [2,0,0,0,0,0|1,0,1]=4 1932 B4R0.1 CC[C@H](C)O MCULE-6063716138 [2,0,0,0,0,0|1,0,1]=4 1933 B4R0.1 CN(C)C=O MCULE-6290117712 [2,0,0,0,0,0|1,0,0]=3 1934 B4R0.1 CN(C)C=S MCULE-3571847382 [2,0,0,0,0,0|1,1,0]=4 1935 B4R0.1 CN(C)CCl MCULE-4906480184 [2,0,0,0,0,0|2,0,0]=4 1936 B4R0.1 CN(C)CCl MCULE-5465672480 [2,0,0,0,0,0|2,0,0]=4 1937 B4R0.1 CN(C)N=O MCULE-1157726226 [2,0,0,0,0,0|2,0,0]=4 1938 B4R0.1 CN(N)C=O MCULE-6353057165 [2,0,0,0,0,0|2,0,0]=4 1939 B4R0.1 CNC(=O)C MCULE-2612997941 [2,0,0,0,0,0|2,0,0]=4 1940 B4R0.1 CNC(=O)Cl MCULE-7743744606 [2,0,0,0,0,0|2,0,0]=4 1941 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|2,0,0]=4 1942 B4R0.1 CNC(C)C MCULE-3849513543 [2,0,0,0,0,0|1,0,1]=4 1943 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|2,0,0]=4 1944 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|2,0,0]=4 1945 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|2,0,0]=4 1946 B4R0.1 CSC(=O)C MCULE-7061634598 [2,0,0,0,0,0|2,0,0]=4 1947 B4R0.1 CSC(C)C MCULE-5932565699 [2,0,0,0,0,0|1,0,1]=4 1948 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [2,0,0,0,0,0|1,0,0]=3 1949 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [2,0,0,0,0,0|1,0,0]=3 1950 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [2,0,0,0,0,0|1,0,0]=3 1951 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [2,0,0,0,0,0|1,0,0]=3 1952 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [2,0,0,0,0,0|2,0,0]=4 1953 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [2,0,0,0,0,0|2,0,0]=4 1954 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [2,0,0,0,0,0|2,0,0]=4 1955 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [2,0,0,0,0,0|2,0,0]=4 1956 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [2,0,0,0,0,0|2,0,0]=4 1957 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [2,0,0,0,0,0|2,0,0]=4 1958 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [2,0,0,0,0,0|2,0,0]=4 1959 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [2,0,0,0,0,0|2,0,0]=4 1960 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [2,0,0,0,0,0|1,0,0]=3 1961 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [2,0,0,0,0,0|1,0,0]=3 1962 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [2,0,0,0,0,0|1,0,0]=3 1963 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [2,0,0,0,0,0|2,0,0]=4 1964 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [2,0,0,0,0,0|2,0,0]=4 1965 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [2,0,0,0,0,0|2,0,0]=4 1966 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [2,0,0,0,0,0|1,0,0]=3 1967 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [2,0,0,0,0,0|1,0,0]=3 1968 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [2,0,0,0,0,0|1,1,0]=4 1969 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [2,0,0,0,0,0|1,0,0]=3 1970 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [2,0,0,0,0,0|1,0,0]=3 1971 B4R0.1 C[C@H](F)CO MCULE-1024261541 [2,0,0,0,0,0|1,0,0]=3 1972 B4R0.1 C[C@H](F)CO MCULE-7028098137 [2,0,0,0,0,0|1,0,0]=3 1973 B4R0.1 C[C@H](N)CF MCULE-1053227516 [2,0,0,0,0,0|2,0,0]=4 1974 B4R0.1 C[C@H](N)CF MCULE-4024916343 [2,0,0,0,0,0|2,0,0]=4 1975 B4R0.1 C[C@H](N)CF MCULE-6312285034 [2,0,0,0,0,0|2,0,0]=4 1976 B4R0.1 C[C@H](N)CF MCULE-7630744199 [2,0,0,0,0,0|2,0,0]=4 1977 B4R0.1 C[C@H](N)CN MCULE-2048837128 [2,0,0,0,0,0|2,0,0]=4 1978 B4R0.1 C[C@H](N)CN MCULE-4105152552 [2,0,0,0,0,0|2,0,0]=4 1979 B4R0.1 C[C@H](N)CN MCULE-7106390536 [2,0,0,0,0,0|2,0,0]=4 1980 B4R0.1 C[C@H](N)CN MCULE-9863306005 [2,0,0,0,0,0|2,0,0]=4 1981 B4R0.1 C[C@H](N)CO MCULE-2471107013 [2,0,0,0,0,0|1,0,0]=3 1982 B4R0.1 C[C@H](N)CO MCULE-5424195678 [2,0,0,0,0,0|1,0,0]=3 1983 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [2,0,0,0,0,0|2,0,0]=4 1984 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [2,0,0,0,0,0|2,0,0]=4 1985 B4R0.1 C[C@H](O)CN MCULE-3227371869 [2,0,0,0,0,0|2,0,0]=4 1986 B4R0.1 C[C@H](O)CN MCULE-5480489257 [2,0,0,0,0,0|2,0,0]=4 1987 B4R0.1 C[C@H](O)CO MCULE-6582852191 [2,0,0,0,0,0|1,0,0]=3 1988 B4R0.1 C[C@H](O)CO MCULE-8074793296 [2,0,0,0,0,0|1,0,0]=3 1989 B4R0.1 C[C@H](O)CS MCULE-9061842733 [2,0,0,0,0,0|1,1,0]=4 1990 B4R0.1 C[N+](=CBr)C MCULE-4078543172 [2,0,0,0,0,0|2,0,0]=4 1991 B4R0.1 C[N+](=CBr)C MCULE-9146783444 [2,0,0,0,0,0|2,0,0]=4 1992 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [2,0,0,0,0,0|2,0,0]=4 1993 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [2,0,0,0,0,0|2,0,0]=4 1994 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|2,0,0]=4 1995 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|2,0,0]=4 1996 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|2,0,0]=4 1997 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|2,0,0]=4 1998 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|2,0,0]=4 1999 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|2,0,0]=4 2000 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|2,0,0]=4 2001 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|2,0,0]=4 2002 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|2,0,0]=4 2003 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|1,0,0]=3 2004 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|1,0,0]=3 2005 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|1,0,0]=3 2006 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|1,0,0]=3 2007 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|1,0,0]=3 2008 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|1,1,0]=4 2009 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|1,0,1]=4 2010 B4R0.1 O=C(Br)CBr MCULE-6031858200 [2,0,0,0,0,0|2,0,0]=4 2011 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [2,0,0,0,0,0|2,0,0]=4 2012 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [2,0,0,0,0,0|2,0,0]=4 2013 B4R0.1 O=C(Cl)CF MCULE-7182087882 [2,0,0,0,0,0|2,0,0]=4 2014 B4R0.1 O=C(Cl)CI MCULE-5719121455 [2,0,0,0,0,0|2,0,0]=4 2015 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|1,0,0]=3 2016 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|1,0,0]=3 2017 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|1,0,0]=3 2018 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|1,0,0]=3 2019 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|1,0,0]=3 2020 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|1,0,0]=3 2021 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|1,0,1]=4 2022 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|1,0,1]=4 2023 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|1,0,1]=4 2024 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|1,0,1]=4 2025 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|1,0,1]=4 2026 B4R0.1 O=CC(Cl)Cl MCULE-7925858204 [2,0,0,0,0,0|2,0,0]=4 2027 B4R0.1 O=S(O)CO MCULE-4195832185 [2,0,0,0,0,0|2,0,0]=4 2028 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [2,0,0,0,0,0|2,0,0]=4 2029 B4R0.1 OCC(F)Br MCULE-5466660542 [2,0,0,0,0,0|2,0,0]=4 2030 B4R0.1 OCC(F)F MCULE-3252378943 [2,0,0,0,0,0|2,0,0]=4 2031 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|2,0,0]=4 2032 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [2,0,0,0,0,0|2,0,0]=4 2033 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [2,0,0,0,0,0|1,0,1]=4 2034 B4R0.2 C#CCCC MCULE-1233806896 [2,0,0,0,0,0|1,0,1]=4 2035 B4R0.2 C/C=C/C=O MCULE-9924705308 [2,0,0,0,0,0|0,0,2]=4 2036 B4R0.2 C=CCCBr MCULE-2890129103 [2,0,0,0,0,0|2,0,0]=4 2037 B4R0.2 C=CCCC MCULE-8386546337 [2,0,0,0,0,0|1,0,0]=3 2038 B4R0.2 C=CCCCl MCULE-5903789900 [2,0,0,0,0,0|2,0,0]=4 2039 B4R0.2 C=CCCI MCULE-1055671394 [2,0,0,0,0,0|2,0,0]=4 2040 B4R0.2 C=CCCN MCULE-2471716627 [2,0,0,0,0,0|2,0,0]=4 2041 B4R0.2 C=CCCN MCULE-2881108697 [2,0,0,0,0,0|2,0,0]=4 2042 B4R0.2 C=CCCO MCULE-4582400839 [2,0,0,0,0,0|2,0,0]=4 2043 B4R0.2 C=CCNC MCULE-3335720336 [2,0,0,0,0,0|2,0,0]=4 2044 B4R0.2 C=CCOC MCULE-3321225771 [2,0,0,0,0,0|2,0,0]=4 2045 B4R0.2 C=CCSC MCULE-4452023915 [2,0,0,0,0,0|2,0,0]=4 2046 B4R0.2 C=COCC MCULE-2569047033 [2,0,0,0,0,0|2,0,0]=4 2047 B4R0.2 C=CSCC MCULE-8927374165 [2,0,0,0,0,0|2,0,0]=4 2048 B4R0.2 CC#CC=O MCULE-9270622693 [2,0,0,0,0,0|0,0,2]=4 2049 B4R0.2 CC=CC=O MCULE-2497362981 [2,0,0,0,0,0|0,0,2]=4 2050 B4R0.2 CC=CCC MCULE-5931905453 [2,0,0,0,0,0|1,0,1]=4 2051 B4R0.2 CCC=CBr MCULE-4471551501 [2,0,0,0,0,0|1,0,1]=4 2052 B4R0.2 CCC=NO MCULE-9457280654 [2,0,0,0,0,0|1,0,1]=4 2053 B4R0.2 CCCC#N MCULE-8571076087 [2,0,0,0,0,0|1,0,1]=4 2054 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|0,0,0]=2 2055 B4R0.2 CCCCBr MCULE-3390217131 [2,0,0,0,0,0|1,0,1]=4 2056 B4R0.2 CCCCC MCULE-4643148765 [2,0,0,0,0,0|1,0,1]=4 2057 B4R0.2 CCCCCl MCULE-5329900290 [2,0,0,0,0,0|1,0,1]=4 2058 B4R0.2 CCCCF MCULE-7225760858 [2,0,0,0,0,0|1,0,1]=4 2059 B4R0.2 CCCCI MCULE-1160974720 [2,0,0,0,0,0|1,0,1]=4 2060 B4R0.2 CCCCN MCULE-1731874934 [2,0,0,0,0,0|1,0,1]=4 2061 B4R0.2 CCCCN MCULE-4233278050 [2,0,0,0,0,0|1,0,1]=4 2062 B4R0.2 CCCCN MCULE-5242069370 [2,0,0,0,0,0|1,0,1]=4 2063 B4R0.2 CCCCN MCULE-7343835253 [2,0,0,0,0,0|1,0,1]=4 2064 B4R0.2 CCCCO MCULE-1571156443 [2,0,0,0,0,0|0,0,1]=3 2065 B4R0.2 CCCCS MCULE-9441213933 [2,0,0,0,0,0|0,1,1]=4 2066 B4R0.2 CCCNC MCULE-2266616259 [2,0,0,0,0,0|2,0,0]=4 2067 B4R0.2 CCCNC MCULE-7722796872 [2,0,0,0,0,0|2,0,0]=4 2068 B4R0.2 CCCNN MCULE-4121438775 [2,0,0,0,0,0|2,0,0]=4 2069 B4R0.2 CCCNN MCULE-5875592228 [2,0,0,0,0,0|2,0,0]=4 2070 B4R0.2 CCCNN MCULE-9585694661 [2,0,0,0,0,0|2,0,0]=4 2071 B4R0.2 CCCOC MCULE-5854067718 [2,0,0,0,0,0|2,0,0]=4 2072 B4R0.2 CCCON MCULE-4800172637 [2,0,0,0,0,0|2,0,0]=4 2073 B4R0.2 CCCON MCULE-7988781002 [2,0,0,0,0,0|2,0,0]=4 2074 B4R0.2 CCCSC MCULE-8387041737 [2,0,0,0,0,0|2,0,0]=4 2075 B4R0.2 CCN=C=O MCULE-6522145601 [2,0,0,0,0,0|1,0,1]=4 2076 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|1,0,0]=3 2077 B4R0.2 CCOC=N MCULE-5321655909 [2,0,0,0,0,0|2,0,0]=4 2078 B4R0.2 CCOC=N MCULE-8158357614 [2,0,0,0,0,0|2,0,0]=4 2079 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|1,0,0]=3 2080 B4R0.2 CNCCO MCULE-7051900771 [2,0,0,0,0,0|1,0,1]=4 2081 B4R0.2 CNCCO MCULE-7934732981 [2,0,0,0,0,0|1,0,1]=4 2082 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|1,0,0]=3 2083 B4R0.2 COCCO MCULE-4751927883 [2,0,0,0,0,0|1,0,1]=4 2084 B4R0.2 CSCCO MCULE-9706874325 [2,0,0,0,0,0|1,0,1]=4 2085 B4R0.2 NCCCO MCULE-2851278356 [2,0,0,0,0,0|1,0,1]=4 2086 B4R0.2 NCCCO MCULE-9698089092 [2,0,0,0,0,0|1,0,1]=4 2087 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|1,0,0]=3 2088 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|1,0,0]=3 2089 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|1,0,0]=3 2090 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|1,0,0]=3 2091 B4R0.2 OC=CCCl MCULE-4750991393 [2,0,0,0,0,0|1,0,1]=4 2092 B4R0.2 OCCCBr MCULE-3450011527 [2,0,0,0,0,0|1,0,1]=4 2093 B4R0.2 OCCCCl MCULE-2319230957 [2,0,0,0,0,0|1,0,1]=4 2094 B4R0.2 OCCCF MCULE-2347934403 [2,0,0,0,0,0|1,0,1]=4 2095 B4R0.2 OCCCI MCULE-5200713967 [2,0,0,0,0,0|1,0,1]=4 2096 B4R0.2 OCCCO MCULE-5166824786 [2,0,0,0,0,0|1,0,1]=4 2097 B4R0.2 OCCCS MCULE-7930164048 [2,0,0,0,0,0|1,0,1]=4 2098 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [1,1,0,0,0,0|1,0,0]=3 2099 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [1,1,0,0,0,0|2,0,0]=4 2100 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [1,1,0,0,0,0|2,0,0]=4 2101 B6R0.1 C#CC(O)CCC MCULE-6152066005 [1,1,0,0,0,0|1,0,1]=4 2102 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [1,1,0,0,0,0|0,0,2]=4 2103 B6R0.1 C#CCC(C)CO MCULE-6139260605 [1,1,0,0,0,0|1,0,1]=4 2104 B6R0.1 C#CCC(C)NC MCULE-1501548827 [1,1,0,0,0,0|1,0,1]=4 2105 B6R0.1 C#CCC(C)NC MCULE-4715321546 [1,1,0,0,0,0|1,0,1]=4 2106 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,1,0,0,0,0|0,0,2]=4 2107 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,1,0,0,0,0|1,0,0]=3 2108 B6R0.1 C=CC(=O)COC MCULE-1933195578 [1,1,0,0,0,0|2,0,0]=4 2109 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [1,1,0,0,0,0|2,0,0]=4 2110 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [1,1,0,0,0,0|2,0,0]=4 2111 B6R0.1 C=CC(C)CCO MCULE-2890369298 [1,1,0,0,0,0|0,0,2]=4 2112 B6R0.1 C=CC(O)CCC MCULE-3664453040 [1,1,0,0,0,0|1,0,1]=4 2113 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,1,0,0,0,0|0,0,2]=4 2114 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [1,1,0,0,0,0|1,0,1]=4 2115 B6R0.1 C=CCC(C)CC MCULE-8680856865 [1,1,0,0,0,0|1,0,0]=3 2116 B6R0.1 C=CCC(C)CO MCULE-9174943108 [1,1,0,0,0,0|1,0,0]=3 2117 B6R0.1 C=CCC(N)CC MCULE-2309097248 [1,1,0,0,0,0|2,0,0]=4 2118 B6R0.1 C=CCC(N)CC MCULE-8356954197 [1,1,0,0,0,0|2,0,0]=4 2119 B6R0.1 C=CCC(N)CO MCULE-3854217705 [1,1,0,0,0,0|2,0,0]=4 2120 B6R0.1 C=CCC(N)CO MCULE-6104194102 [1,1,0,0,0,0|2,0,0]=4 2121 B6R0.1 C=CCC(N)CO MCULE-6473126335 [1,1,0,0,0,0|2,0,0]=4 2122 B6R0.1 C=CCC(N)CO MCULE-8430673873 [1,1,0,0,0,0|2,0,0]=4 2123 B6R0.1 C=CCC(O)CC MCULE-1497539816 [1,1,0,0,0,0|2,0,0]=4 2124 B6R0.1 C=CCC(O)CN MCULE-8237489732 [1,1,0,0,0,0|2,0,0]=4 2125 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [1,1,0,0,0,0|2,0,0]=4 2126 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [1,1,0,0,0,0|2,0,0]=4 2127 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [1,1,0,0,0,0|2,0,0]=4 2128 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [1,1,0,0,0,0|2,0,0]=4 2129 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [1,1,0,0,0,0|2,0,0]=4 2130 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [1,1,0,0,0,0|1,0,1]=4 2131 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [1,1,0,0,0,0|2,0,0]=4 2132 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [1,1,0,0,0,0|2,0,0]=4 2133 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [1,1,0,0,0,0|2,0,0]=4 2134 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [1,1,0,0,0,0|2,0,0]=4 2135 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [1,1,0,0,0,0|2,0,0]=4 2136 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [1,1,0,0,0,0|0,0,2]=4 2137 B6R0.1 CC(CN)CCN MCULE-2719332037 [1,1,0,0,0,0|1,0,1]=4 2138 B6R0.1 CC(CN)CCN MCULE-4200375624 [1,1,0,0,0,0|1,0,1]=4 2139 B6R0.1 CC(CN)CCO MCULE-5515163518 [1,1,0,0,0,0|0,0,1]=3 2140 B6R0.1 CC(CO)CCN MCULE-9900244005 [1,1,0,0,0,0|1,0,1]=4 2141 B6R0.1 CC(CO)CCO MCULE-5240961149 [1,1,0,0,0,0|0,0,1]=3 2142 B6R0.1 CC(CO)CCO MCULE-8678967805 [1,1,0,0,0,0|0,0,1]=3 2143 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [1,1,0,0,0,0|1,0,1]=4 2144 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,1,0,0,0,0|0,0,2]=4 2145 B6R0.1 CCC(=O)CNC MCULE-3030105640 [1,1,0,0,0,0|2,0,0]=4 2146 B6R0.1 CCC(=O)CNC MCULE-6945295017 [1,1,0,0,0,0|2,0,0]=4 2147 B6R0.1 CCC(=O)COC MCULE-1087802011 [1,1,0,0,0,0|2,0,0]=4 2148 B6R0.1 CCC(=O)CSC MCULE-3230433182 [1,1,0,0,0,0|2,0,0]=4 2149 B6R0.1 CCC(C)C=NO MCULE-2829500970 [1,1,0,0,0,0|1,0,1]=4 2150 B6R0.1 CCC(C)CC#N MCULE-8784266918 [1,1,0,0,0,0|1,0,1]=4 2151 B6R0.1 CCC(C)CC=O MCULE-9143756592 [1,1,0,0,0,0|0,0,0]=2 2152 B6R0.1 CCC(C)CCBr MCULE-6033010731 [1,1,0,0,0,0|1,0,1]=4 2153 B6R0.1 CCC(C)CCCl MCULE-2069721626 [1,1,0,0,0,0|1,0,1]=4 2154 B6R0.1 CCC(C)CCN MCULE-4140800594 [1,1,0,0,0,0|1,0,1]=4 2155 B6R0.1 CCC(C)CCN MCULE-5509248218 [1,1,0,0,0,0|1,0,1]=4 2156 B6R0.1 CCC(C)CCO MCULE-6482427735 [1,1,0,0,0,0|0,0,1]=3 2157 B6R0.1 CCC(C)CNC MCULE-1998406301 [1,1,0,0,0,0|2,0,0]=4 2158 B6R0.1 CCC(C)CNC MCULE-5957910094 [1,1,0,0,0,0|2,0,0]=4 2159 B6R0.1 CCC(C)CON MCULE-7033012303 [1,1,0,0,0,0|2,0,0]=4 2160 B6R0.1 CCC(C)N=C=O MCULE-4771945289 [1,1,0,0,0,0|1,0,1]=4 2161 B6R0.1 CCC(C)NC=O MCULE-2197007756 [1,1,0,0,0,0|1,0,0]=3 2162 B6R0.1 CCC(C)OC=O MCULE-9361787208 [1,1,0,0,0,0|1,0,0]=3 2163 B6R0.1 CCC(N)CCO MCULE-1511155206 [1,1,0,0,0,0|1,0,1]=4 2164 B6R0.1 CCC(N)CCO MCULE-5525302643 [1,1,0,0,0,0|1,0,1]=4 2165 B6R0.1 CCC(O)CCO MCULE-5156075792 [1,1,0,0,0,0|1,0,1]=4 2166 B6R0.1 CCC(S)CCO MCULE-4193788852 [1,1,0,0,0,0|1,0,1]=4 2167 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [1,1,0,0,0,0|1,0,0]=3 2168 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [1,1,0,0,0,0|1,0,0]=3 2169 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [1,1,0,0,0,0|1,0,1]=4 2170 B6R0.1 CCCC(=NO)C MCULE-6437787263 [1,1,0,0,0,0|1,0,0]=3 2171 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [1,1,0,0,0,0|1,0,0]=3 2172 B6R0.1 CCCC(=O)CC MCULE-7121523805 [1,1,0,0,0,0|1,0,0]=3 2173 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [1,1,0,0,0,0|1,0,0]=3 2174 B6R0.1 CCCC(=O)CN MCULE-4663263123 [1,1,0,0,0,0|1,0,0]=3 2175 B6R0.1 CCCC(=O)CN MCULE-6326368932 [1,1,0,0,0,0|1,0,0]=3 2176 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|0,0,0]=2 2177 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,1,0,0,0,0|1,0,0]=3 2178 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,1,0,0,0,0|1,0,0]=3 2179 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|0,0,0]=2 2180 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|0,0,0]=2 2181 B6R0.1 CCCC(=O)SC MCULE-1490654381 [1,1,0,0,0,0|0,1,0]=3 2182 B6R0.1 CCCC(=S)OC MCULE-8125476093 [1,1,0,0,0,0|0,1,0]=3 2183 B6R0.1 CCCC(C)C=O MCULE-9756444218 [1,1,0,0,0,0|1,0,1]=4 2184 B6R0.1 CCCC(C)CBr MCULE-3437352091 [1,1,0,0,0,0|1,0,1]=4 2185 B6R0.1 CCCC(C)CC MCULE-7082933967 [1,1,0,0,0,0|1,0,1]=4 2186 B6R0.1 CCCC(C)CCl MCULE-2381010454 [1,1,0,0,0,0|1,0,1]=4 2187 B6R0.1 CCCC(C)CN MCULE-9552289739 [1,1,0,0,0,0|1,0,1]=4 2188 B6R0.1 CCCC(C)CO MCULE-9777250826 [1,1,0,0,0,0|1,0,1]=4 2189 B6R0.1 CCCC(C)NC MCULE-1560121168 [1,1,0,0,0,0|1,0,1]=4 2190 B6R0.1 CCCC(C)NC MCULE-2169396338 [1,1,0,0,0,0|1,0,1]=4 2191 B6R0.1 CCCC(N)CO MCULE-3404967504 [1,1,0,0,0,0|1,0,1]=4 2192 B6R0.1 CCCC(N)CO MCULE-3802448518 [1,1,0,0,0,0|1,0,1]=4 2193 B6R0.1 CCCC(N)CO MCULE-4259078445 [1,1,0,0,0,0|1,0,1]=4 2194 B6R0.1 CCCC(N)CO MCULE-6425025734 [1,1,0,0,0,0|1,0,1]=4 2195 B6R0.1 CCCC(O)C#N MCULE-7017059503 [1,1,0,0,0,0|1,0,1]=4 2196 B6R0.1 CCCC(O)CBr MCULE-5186252424 [1,1,0,0,0,0|1,0,1]=4 2197 B6R0.1 CCCC(O)CC MCULE-9504041935 [1,1,0,0,0,0|1,0,1]=4 2198 B6R0.1 CCCC(O)CCl MCULE-4737360217 [1,1,0,0,0,0|1,0,1]=4 2199 B6R0.1 CCCC(O)CN MCULE-9402934997 [1,1,0,0,0,0|1,0,1]=4 2200 B6R0.1 CCCC(O)CO MCULE-5124107719 [1,1,0,0,0,0|0,0,2]=4 2201 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [1,1,0,0,0,0|1,0,1]=4 2202 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [1,1,0,0,0,0|1,0,1]=4 2203 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [1,1,0,0,0,0|1,0,1]=4 2204 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [1,1,0,0,0,0|1,0,1]=4 2205 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [1,1,0,0,0,0|1,0,1]=4 2206 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [1,1,0,0,0,0|1,0,1]=4 2207 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [1,1,0,0,0,0|1,0,1]=4 2208 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [1,1,0,0,0,0|1,0,1]=4 2209 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [1,1,0,0,0,0|1,0,1]=4 2210 B6R0.1 CCN(C)CCO MCULE-5519271145 [1,1,0,0,0,0|1,0,1]=4 2211 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [1,1,0,0,0,0|2,0,0]=4 2212 B6R0.1 CCNC(=O)CC MCULE-8820594723 [1,1,0,0,0,0|2,0,0]=4 2213 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [1,1,0,0,0,0|2,0,0]=4 2214 B6R0.1 CCNC(=O)CN MCULE-1913543460 [1,1,0,0,0,0|2,0,0]=4 2215 B6R0.1 CCNC(=O)CN MCULE-5473845751 [1,1,0,0,0,0|2,0,0]=4 2216 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,1,0,0,0,0|1,0,0]=3 2217 B6R0.1 CCNC(=O)NC MCULE-7197803115 [1,1,0,0,0,0|2,0,0]=4 2218 B6R0.1 CCNC(=O)NN MCULE-9055200574 [1,1,0,0,0,0|2,0,0]=4 2219 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,1,0,0,0,0|1,0,0]=3 2220 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,1,0,0,0,0|1,0,0]=3 2221 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [1,1,0,0,0,0|2,0,0]=4 2222 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [1,1,0,0,0,0|2,0,0]=4 2223 B6R0.1 CCOC(=NO)C MCULE-6964305821 [1,1,0,0,0,0|2,0,0]=4 2224 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [1,1,0,0,0,0|2,0,0]=4 2225 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [1,1,0,0,0,0|1,0,1]=4 2226 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [1,1,0,0,0,0|2,0,0]=4 2227 B6R0.1 CCOC(=O)CC MCULE-1639864693 [1,1,0,0,0,0|2,0,0]=4 2228 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [1,1,0,0,0,0|2,0,0]=4 2229 B6R0.1 CCOC(=O)CF MCULE-1926097423 [1,1,0,0,0,0|2,0,0]=4 2230 B6R0.1 CCOC(=O)CI MCULE-9898762324 [1,1,0,0,0,0|2,0,0]=4 2231 B6R0.1 CCOC(=O)CN MCULE-2185173056 [1,1,0,0,0,0|2,0,0]=4 2232 B6R0.1 CCOC(=O)CN MCULE-2628607025 [1,1,0,0,0,0|2,0,0]=4 2233 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,1,0,0,0,0|1,0,0]=3 2234 B6R0.1 CCOC(=O)CS MCULE-3354026239 [1,1,0,0,0,0|1,1,0]=4 2235 B6R0.1 CCOC(=O)NC MCULE-5506841198 [1,1,0,0,0,0|2,0,0]=4 2236 B6R0.1 CCOC(=O)NN MCULE-9872948119 [1,1,0,0,0,0|2,0,0]=4 2237 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,1,0,0,0,0|1,0,0]=3 2238 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,1,0,0,0,0|1,0,0]=3 2239 B6R0.1 CCSC(=O)CC MCULE-6361738004 [1,1,0,0,0,0|2,0,0]=4 2240 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [1,1,0,0,0,0|0,0,1]=3 2241 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [1,1,0,0,0,0|0,0,1]=3 2242 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [1,1,0,0,0,0|2,0,0]=4 2243 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [1,1,0,0,0,0|2,0,0]=4 2244 B6R0.1 CNC(=O)CCN MCULE-1374127264 [1,1,0,0,0,0|2,0,0]=4 2245 B6R0.1 CNC(=O)CCN MCULE-3948893656 [1,1,0,0,0,0|2,0,0]=4 2246 B6R0.1 CNC(=O)CCO MCULE-3222339741 [1,1,0,0,0,0|2,0,0]=4 2247 B6R0.1 CNC(=O)CCS MCULE-2385806944 [1,1,0,0,0,0|2,0,0]=4 2248 B6R0.1 CNC(C)CC#N MCULE-3748387165 [1,1,0,0,0,0|1,0,1]=4 2249 B6R0.1 CNC(C)CCO MCULE-4722422254 [1,1,0,0,0,0|0,0,1]=3 2250 B6R0.1 CNC(C)COC MCULE-6864731576 [1,1,0,0,0,0|2,0,0]=4 2251 B6R0.1 CNC(C)COC MCULE-9135013355 [1,1,0,0,0,0|2,0,0]=4 2252 B6R0.1 CNC(C)CSC MCULE-8293407208 [1,1,0,0,0,0|2,0,0]=4 2253 B6R0.1 CNCC(=O)NC MCULE-4579550577 [1,1,0,0,0,0|2,0,0]=4 2254 B6R0.1 CNCC(=O)NC MCULE-7833395637 [1,1,0,0,0,0|2,0,0]=4 2255 B6R0.1 CNCC(=O)NN MCULE-8639164023 [1,1,0,0,0,0|2,0,0]=4 2256 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,1,0,0,0,0|1,0,0]=3 2257 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,1,0,0,0,0|1,0,0]=3 2258 B6R0.1 CNCC(C)CN MCULE-1889673811 [1,1,0,0,0,0|2,0,0]=4 2259 B6R0.1 CNCC(C)CO MCULE-6329429747 [1,1,0,0,0,0|2,0,0]=4 2260 B6R0.1 CNCC(C)OC MCULE-6977139114 [1,1,0,0,0,0|2,0,0]=4 2261 B6R0.1 CNCC(C)OC MCULE-8216810034 [1,1,0,0,0,0|2,0,0]=4 2262 B6R0.1 CNNC(=O)OC MCULE-4763095719 [1,1,0,0,0,0|2,0,0]=4 2263 B6R0.1 COC(=N)CCCl MCULE-1997539408 [1,1,0,0,0,0|2,0,0]=4 2264 B6R0.1 COC(=N)CCCl MCULE-2235564076 [1,1,0,0,0,0|2,0,0]=4 2265 B6R0.1 COC(=N)CCO MCULE-1904978557 [1,1,0,0,0,0|2,0,0]=4 2266 B6R0.1 COC(=N)CCO MCULE-8146089973 [1,1,0,0,0,0|2,0,0]=4 2267 B6R0.1 COC(=O)CC#N MCULE-2699345092 [1,1,0,0,0,0|1,0,1]=4 2268 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,1,0,0,0,0|1,0,1]=4 2269 B6R0.1 COC(=O)CCBr MCULE-3565567444 [1,1,0,0,0,0|1,0,0]=3 2270 B6R0.1 COC(=O)CCCl MCULE-5034007224 [1,1,0,0,0,0|1,0,0]=3 2271 B6R0.1 COC(=O)CCI MCULE-5984806612 [1,1,0,0,0,0|1,0,0]=3 2272 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|1,0,0]=3 2273 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|1,0,0]=3 2274 B6R0.1 COC(=O)CCO MCULE-8538834260 [1,1,0,0,0,0|1,0,0]=3 2275 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,1,0,0,0,0|1,0,0]=3 2276 B6R0.1 COC(=O)CNN MCULE-3287579794 [1,1,0,0,0,0|2,0,0]=4 2277 B6R0.1 COC(=O)CNN MCULE-3838874166 [1,1,0,0,0,0|2,0,0]=4 2278 B6R0.1 COC(=O)CON MCULE-4799038238 [1,1,0,0,0,0|2,0,0]=4 2279 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,1,0,0,0,0|1,0,0]=3 2280 B6R0.1 COC(=O)OCCl MCULE-7856529986 [1,1,0,0,0,0|2,0,0]=4 2281 B6R0.1 COC(=O)OCF MCULE-4705008675 [1,1,0,0,0,0|2,0,0]=4 2282 B6R0.1 COC(=O)OCI MCULE-8692720175 [1,1,0,0,0,0|2,0,0]=4 2283 B6R0.1 COC(C)CC=O MCULE-7243333697 [1,1,0,0,0,0|0,0,0]=2 2284 B6R0.1 COC(C)CCN MCULE-8081876282 [1,1,0,0,0,0|1,0,1]=4 2285 B6R0.1 COC(C)CCN MCULE-8892057529 [1,1,0,0,0,0|1,0,1]=4 2286 B6R0.1 COC(C)CCO MCULE-7396381165 [1,1,0,0,0,0|0,0,1]=3 2287 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [1,1,0,0,0,0|2,0,0]=4 2288 B6R0.1 COCC(=N)OC MCULE-2350779439 [1,1,0,0,0,0|2,0,0]=4 2289 B6R0.1 COCC(=N)OC MCULE-7810421458 [1,1,0,0,0,0|2,0,0]=4 2290 B6R0.1 COCC(=O)CCl MCULE-7542636020 [1,1,0,0,0,0|2,0,0]=4 2291 B6R0.1 COCC(=O)NN MCULE-4127487886 [1,1,0,0,0,0|2,0,0]=4 2292 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,1,0,0,0,0|1,0,0]=3 2293 B6R0.1 COCC(C)CN MCULE-3223901774 [1,1,0,0,0,0|2,0,0]=4 2294 B6R0.1 COCC(C)CO MCULE-7663064542 [1,1,0,0,0,0|2,0,0]=4 2295 B6R0.1 COCC(C)OC MCULE-1583498700 [1,1,0,0,0,0|2,0,0]=4 2296 B6R0.1 COC[C@H](C)CO MCULE-3120475252 [1,1,0,0,0,0|2,0,0]=4 2297 B6R0.1 CONC(=O)OC MCULE-9304532248 [1,1,0,0,0,0|2,0,0]=4 2298 B6R0.1 CSC(C)CC=O MCULE-9433914892 [1,1,0,0,0,0|0,0,0]=2 2299 B6R0.1 CSC(C)CCN MCULE-5474458753 [1,1,0,0,0,0|1,0,1]=4 2300 B6R0.1 CSC(C)CCO MCULE-4317600086 [1,1,0,0,0,0|0,0,1]=3 2301 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [1,1,0,0,0,0|2,0,0]=4 2302 B6R0.1 CSCC(=O)NN MCULE-8151954663 [1,1,0,0,0,0|2,0,0]=4 2303 B6R0.1 CSCC(C)CN MCULE-4493405290 [1,1,0,0,0,0|2,0,0]=4 2304 B6R0.1 CSCC(C)CO MCULE-3842820579 [1,1,0,0,0,0|2,0,0]=4 2305 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [1,1,0,0,0,0|1,0,1]=4 2306 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [1,1,0,0,0,0|1,0,1]=4 2307 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [1,1,0,0,0,0|0,0,1]=3 2308 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [1,1,0,0,0,0|0,0,1]=3 2309 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [1,1,0,0,0,0|0,0,1]=3 2310 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [1,1,0,0,0,0|2,0,0]=4 2311 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [1,1,0,0,0,0|2,0,0]=4 2312 B6R0.1 NC(CO)CCO MCULE-3703088648 [1,1,0,0,0,0|1,0,1]=4 2313 B6R0.1 NC(CO)CCO MCULE-7609576462 [1,1,0,0,0,0|1,0,1]=4 2314 B6R0.1 NCC(N)CCO MCULE-2965554481 [1,1,0,0,0,0|1,0,1]=4 2315 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [1,1,0,0,0,0|2,0,0]=4 2316 B6R0.1 NCCC(=O)CN MCULE-3906468943 [1,1,0,0,0,0|2,0,0]=4 2317 B6R0.1 NCCC(=O)CN MCULE-9593243702 [1,1,0,0,0,0|2,0,0]=4 2318 B6R0.1 NNC(=O)CCO MCULE-6184351353 [1,1,0,0,0,0|2,0,0]=4 2319 B6R0.1 NNC(=O)CCS MCULE-9322963076 [1,1,0,0,0,0|2,0,0]=4 2320 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [1,1,0,0,0,0|1,0,1]=4 2321 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [1,1,0,0,0,0|1,0,1]=4 2322 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [1,1,0,0,0,0|1,0,1]=4 2323 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [1,1,0,0,0,0|1,0,1]=4 2324 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,1,0,0,0,0|1,0,0]=3 2325 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [1,1,0,0,0,0|2,0,0]=4 2326 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [1,1,0,0,0,0|1,0,0]=3 2327 B6R0.1 OCCC(O)CCl MCULE-4752952606 [1,1,0,0,0,0|1,0,1]=4 2328 B6R0.1 OCCC(O)CO MCULE-6470178852 [1,1,0,0,0,0|1,0,1]=4 2329 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [1,1,0,0,0,0|1,0,1]=4 2330 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [1,1,0,0,0,0|1,0,1]=4 2331 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [1,1,0,0,0,0|1,0,1]=4 2332 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [1,1,0,0,0,0|1,0,1]=4 2333 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [1,1,0,0,0,0|1,0,1]=4 2334 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [1,1,0,0,0,0|1,0,1]=4 2335 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [1,1,0,0,0,0|1,0,1]=4 2336 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [1,1,0,0,0,0|1,0,1]=4 2337 B6R0.3 C#CC(N)C(C)C MCULE-3430729891 [1,1,0,0,0,0|1,0,1]=4 2338 B6R0.3 C#CC(N)C(C)C MCULE-7604887558 [1,1,0,0,0,0|1,0,1]=4 2339 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [1,1,0,0,0,0|0,0,2]=4 2340 B6R0.3 C#CC(O)C(C)C MCULE-6729964061 [1,1,0,0,0,0|1,0,1]=4 2341 B6R0.3 C#C[C@@H](O)C(C)C MCULE-2957798079 [1,1,0,0,0,0|1,0,1]=4 2342 B6R0.3 C#C[C@H](O)C(C)C MCULE-7477457472 [1,1,0,0,0,0|1,0,1]=4 2343 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [1,1,0,0,0,0|1,0,0]=3 2344 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [1,1,0,0,0,0|2,0,0]=4 2345 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [1,1,0,0,0,0|2,0,0]=4 2346 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,1,0,0,0,0|0,0,2]=4 2347 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,1,0,0,0,0|0,0,2]=4 2348 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,1,0,0,0,0|0,0,2]=4 2349 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,1,0,0,0,0|0,0,2]=4 2350 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [1,1,0,0,0,0|2,0,0]=4 2351 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [1,1,0,0,0,0|1,0,1]=4 2352 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [1,1,0,0,0,0|0,0,1]=3 2353 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [1,1,0,0,0,0|1,0,1]=4 2354 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [1,1,0,0,0,0|1,0,1]=4 2355 B6R0.3 C=CC(=O)C(C)C MCULE-8577593172 [1,1,0,0,0,0|1,0,1]=4 2356 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,1,0,0,0,0|0,0,2]=4 2357 B6R0.3 C=CC(C)C(C)C MCULE-4461669612 [1,1,0,0,0,0|1,0,0]=3 2358 B6R0.3 C=CC(C)C(C)O MCULE-5639096655 [1,1,0,0,0,0|2,0,0]=4 2359 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,1,0,0,0,0|0,0,2]=4 2360 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,1,0,0,0,0|0,0,2]=4 2361 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,1,0,0,0,0|0,0,2]=4 2362 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,1,0,0,0,0|0,0,2]=4 2363 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,1,0,0,0,0|0,0,2]=4 2364 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [1,1,0,0,0,0|1,0,0]=3 2365 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,1,0,0,0,0|0,0,2]=4 2366 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-1946110265 [1,1,0,0,0,0|2,0,0]=4 2367 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-2042493608 [1,1,0,0,0,0|2,0,0]=4 2368 B6R0.3 C=C[C@@H](C)[C@H](C)O MCULE-1482556738 [1,1,0,0,0,0|2,0,0]=4 2369 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,1,0,0,0,0|0,0,2]=4 2370 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,1,0,0,0,0|0,0,2]=4 2371 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,1,0,0,0,0|0,0,2]=4 2372 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,1,0,0,0,0|0,0,2]=4 2373 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,1,0,0,0,0|0,0,2]=4 2374 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,1,0,0,0,0|0,0,2]=4 2375 B6R0.3 C=C[C@H](C)[C@@H](C)O MCULE-4591189626 [1,1,0,0,0,0|2,0,0]=4 2376 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2180884086 [1,1,0,0,0,0|2,0,0]=4 2377 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2347920403 [1,1,0,0,0,0|2,0,0]=4 2378 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,1,0,0,0,0|0,0,2]=4 2379 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,1,0,0,0,0|0,0,2]=4 2380 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,1,0,0,0,0|0,0,2]=4 2381 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,1,0,0,0,0|0,0,2]=4 2382 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [1,1,0,0,0,0|1,0,1]=4 2383 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [1,1,0,0,0,0|1,0,1]=4 2384 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,1,0,0,0,0|2,0,0]=4 2385 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,1,0,0,0,0|2,0,0]=4 2386 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,1,0,0,0,0|2,0,0]=4 2387 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [1,1,0,0,0,0|1,0,1]=4 2388 B6R0.3 CC(C)/C(=N/O)/Cl MCULE-8655360746 [1,1,0,0,0,0|1,0,1]=4 2389 B6R0.3 CC(C)/C(=N/O)/N MCULE-4474697690 [1,1,0,0,0,0|1,0,1]=4 2390 B6R0.3 CC(C)C(=N)NO MCULE-9934498877 [1,1,0,0,0,0|1,0,1]=4 2391 B6R0.3 CC(C)C(=O)CO MCULE-8746789873 [1,1,0,0,0,0|0,0,2]=4 2392 B6R0.3 CC(C)C(Br)C#N MCULE-3045325666 [1,1,0,0,0,0|1,0,1]=4 2393 B6R0.3 CC(C)C(Br)C=O MCULE-2054791376 [1,1,0,0,0,0|0,0,0]=2 2394 B6R0.3 CC(C)C(C)CBr MCULE-4323135623 [1,1,0,0,0,0|1,0,1]=4 2395 B6R0.3 CC(C)C(C)CN MCULE-1011041652 [1,1,0,0,0,0|1,0,1]=4 2396 B6R0.3 CC(C)C(C)CN MCULE-5682817467 [1,1,0,0,0,0|1,0,1]=4 2397 B6R0.3 CC(C)C(C)CO MCULE-7008552664 [1,1,0,0,0,0|0,0,1]=3 2398 B6R0.3 CC(C)C(C)NN MCULE-3145633578 [1,1,0,0,0,0|2,0,0]=4 2399 B6R0.3 CC(C)C(C)NN MCULE-5160672778 [1,1,0,0,0,0|2,0,0]=4 2400 B6R0.3 CC(C)C(C)NN MCULE-7702836838 [1,1,0,0,0,0|2,0,0]=4 2401 B6R0.3 CC(C)C(Cl)C#N MCULE-5102063658 [1,1,0,0,0,0|1,0,1]=4 2402 B6R0.3 CC(C)C(N)C#N MCULE-5486541909 [1,1,0,0,0,0|1,0,1]=4 2403 B6R0.3 CC(C)C(N)C#N MCULE-6250354053 [1,1,0,0,0,0|1,0,1]=4 2404 B6R0.3 CC(C)C(N)CF MCULE-4101575579 [1,1,0,0,0,0|1,0,1]=4 2405 B6R0.3 CC(C)C(N)CF MCULE-4888178244 [1,1,0,0,0,0|1,0,1]=4 2406 B6R0.3 CC(C)C(N)CN MCULE-3414430422 [1,1,0,0,0,0|1,0,1]=4 2407 B6R0.3 CC(C)C(N)CN MCULE-5279153780 [1,1,0,0,0,0|1,0,1]=4 2408 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [1,1,0,0,0,0|0,0,1]=3 2409 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [1,1,0,0,0,0|0,0,1]=3 2410 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [1,1,0,0,0,0|0,0,1]=3 2411 B6R0.3 CC(C)C(O)C#N MCULE-1764798154 [1,1,0,0,0,0|1,0,1]=4 2412 B6R0.3 CC(C)C(O)CBr MCULE-1921145212 [1,1,0,0,0,0|1,0,1]=4 2413 B6R0.3 CC(C)C(O)CCl MCULE-7270676495 [1,1,0,0,0,0|1,0,1]=4 2414 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [1,1,0,0,0,0|1,0,1]=4 2415 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [1,1,0,0,0,0|1,0,1]=4 2416 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [1,1,0,0,0,0|0,0,1]=3 2417 B6R0.3 CC(C)C(S)CO MCULE-1903780493 [1,1,0,0,0,0|0,0,1]=3 2418 B6R0.3 CC(C)N(C)N=O MCULE-3797884338 [1,1,0,0,0,0|2,0,0]=4 2419 B6R0.3 CC(C)[C@@H](C)CO MCULE-4943691177 [1,1,0,0,0,0|0,0,1]=3 2420 B6R0.3 CC(C)[C@@H](C)CO MCULE-6583781047 [1,1,0,0,0,0|0,0,1]=3 2421 B6R0.3 CC(C)[C@@H](N)C#N MCULE-3710740145 [1,1,0,0,0,0|1,0,1]=4 2422 B6R0.3 CC(C)[C@@H](N)C#N MCULE-6831295533 [1,1,0,0,0,0|1,0,1]=4 2423 B6R0.3 CC(C)[C@@H](N)CF MCULE-7429178470 [1,1,0,0,0,0|1,0,1]=4 2424 B6R0.3 CC(C)[C@@H](N)CF MCULE-7951488806 [1,1,0,0,0,0|1,0,1]=4 2425 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [1,1,0,0,0,0|0,0,1]=3 2426 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [1,1,0,0,0,0|0,0,1]=3 2427 B6R0.3 CC(C)[C@H](C)CO MCULE-9527582465 [1,1,0,0,0,0|0,0,1]=3 2428 B6R0.3 CC(C)[C@H](N)C#N MCULE-6519039369 [1,1,0,0,0,0|1,0,1]=4 2429 B6R0.3 CC(C)[C@H](N)C#N MCULE-8475611484 [1,1,0,0,0,0|1,0,1]=4 2430 B6R0.3 CC(C)[C@H](N)C=O MCULE-6686967175 [1,1,0,0,0,0|0,0,0]=2 2431 B6R0.3 CC(C)[C@H](N)CF MCULE-2978082368 [1,1,0,0,0,0|1,0,1]=4 2432 B6R0.3 CC(C)[C@H](N)CF MCULE-4609473233 [1,1,0,0,0,0|1,0,1]=4 2433 B6R0.3 CC(C)[C@H](N)CN MCULE-2884084983 [1,1,0,0,0,0|1,0,1]=4 2434 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [1,1,0,0,0,0|0,0,1]=3 2435 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [1,1,0,0,0,0|0,0,1]=3 2436 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [1,1,0,0,0,0|0,0,1]=3 2437 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [1,1,0,0,0,0|0,0,1]=3 2438 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [1,1,0,0,0,0|1,0,0]=3 2439 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [1,1,0,0,0,0|1,0,0]=3 2440 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,1,0,0,0,0|1,0,0]=3 2441 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,1,0,0,0,0|1,0,0]=3 2442 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,1,0,0,0,0|1,0,0]=3 2443 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [1,1,0,0,0,0|1,0,1]=4 2444 B6R0.3 CC(CO)N(C)C MCULE-7300076854 [1,1,0,0,0,0|1,0,1]=4 2445 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [1,1,0,0,0,0|1,0,0]=3 2446 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [1,1,0,0,0,0|1,0,1]=4 2447 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [1,1,0,0,0,0|1,0,1]=4 2448 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [1,1,0,0,0,0|1,0,1]=4 2449 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [1,1,0,0,0,0|1,0,1]=4 2450 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [1,1,0,0,0,0|1,0,1]=4 2451 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [1,1,0,0,0,0|2,0,0]=4 2452 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [1,1,0,0,0,0|2,0,0]=4 2453 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [1,1,0,0,0,0|2,0,0]=4 2454 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [1,1,0,0,0,0|2,0,0]=4 2455 B6R0.3 CC(S)C(C)CO MCULE-5435813701 [1,1,0,0,0,0|1,0,1]=4 2456 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,1,0,0,0,0|0,0,2]=4 2457 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,1,0,0,0,0|0,0,2]=4 2458 B6R0.3 CC=C(C)C(C)C MCULE-4070109813 [1,1,0,0,0,0|1,0,1]=4 2459 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,1,0,0,0,0|0,0,2]=4 2460 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,1,0,0,0,0|0,0,2]=4 2461 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,1,0,0,0,0|0,0,2]=4 2462 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [1,1,0,0,0,0|1,0,1]=4 2463 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [1,1,0,0,0,0|0,0,1]=3 2464 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [1,1,0,0,0,0|0,0,2]=4 2465 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [1,1,0,0,0,0|1,0,0]=3 2466 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [1,1,0,0,0,0|1,0,0]=3 2467 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [1,1,0,0,0,0|1,0,0]=3 2468 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [1,1,0,0,0,0|1,0,0]=3 2469 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,1,0,0,0,0|0,0,0]=2 2470 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [1,1,0,0,0,0|1,0,1]=4 2471 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [1,1,0,0,0,0|2,0,0]=4 2472 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [1,1,0,0,0,0|2,0,0]=4 2473 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [1,1,0,0,0,0|1,0,0]=3 2474 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [1,1,0,0,0,0|1,0,0]=3 2475 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [1,1,0,0,0,0|1,0,0]=3 2476 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,1,0,0,0,0|0,0,0]=2 2477 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,1,0,0,0,0|0,0,0]=2 2478 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [1,1,0,0,0,0|1,1,0]=4 2479 B6R0.3 CCC(C)C(C)C MCULE-9189749509 [1,1,0,0,0,0|1,0,1]=4 2480 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [1,1,0,0,0,0|1,0,1]=4 2481 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [1,1,0,0,0,0|1,0,0]=3 2482 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [1,1,0,0,0,0|1,0,0]=3 2483 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,1,0,0,0,0|0,0,0]=2 2484 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,1,0,0,0,0|0,0,0]=2 2485 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [1,1,0,0,0,0|1,0,0]=3 2486 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [1,1,0,0,0,0|1,0,0]=3 2487 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [1,1,0,0,0,0|1,0,0]=3 2488 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [1,1,0,0,0,0|1,0,0]=3 2489 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,1,0,0,0,0|0,0,0]=2 2490 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,1,0,0,0,0|0,0,0]=2 2491 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,1,0,0,0,0|0,0,0]=2 2492 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,1,0,0,0,0|0,0,0]=2 2493 B6R0.3 CCC(N)C(C)C MCULE-3624338196 [1,1,0,0,0,0|1,0,1]=4 2494 B6R0.3 CCC(N)C(C)C MCULE-4491326477 [1,1,0,0,0,0|1,0,1]=4 2495 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [1,1,0,0,0,0|1,0,1]=4 2496 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [1,1,0,0,0,0|1,0,1]=4 2497 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,1,0,0,0,0|1,0,0]=3 2498 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,1,0,0,0,0|0,0,0]=2 2499 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,1,0,0,0,0|0,0,0]=2 2500 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,1,0,0,0,0|0,0,1]=3 2501 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,1,0,0,0,0|0,0,1]=3 2502 B6R0.3 CCC(O)C(C)C MCULE-1130775455 [1,1,0,0,0,0|1,0,1]=4 2503 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [1,1,0,0,0,0|1,0,1]=4 2504 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [1,1,0,0,0,0|1,0,0]=3 2505 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,1,0,0,0,0|0,0,0]=2 2506 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [1,1,0,0,0,0|2,0,0]=4 2507 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [1,1,0,0,0,0|2,0,0]=4 2508 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [1,1,0,0,0,0|2,0,0]=4 2509 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [1,1,0,0,0,0|2,0,0]=4 2510 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,1,0,0,0,0|0,0,0]=2 2511 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,1,0,0,0,0|0,0,0]=2 2512 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [1,1,0,0,0,0|1,0,0]=3 2513 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [1,1,0,0,0,0|1,0,0]=3 2514 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,1,0,0,0,0|0,0,0]=2 2515 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,1,0,0,0,0|0,0,0]=2 2516 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,1,0,0,0,0|0,0,0]=2 2517 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,1,0,0,0,0|0,0,0]=2 2518 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [1,1,0,0,0,0|1,0,0]=3 2519 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [1,1,0,0,0,0|1,0,0]=3 2520 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [1,1,0,0,0,0|1,0,0]=3 2521 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [1,1,0,0,0,0|1,0,0]=3 2522 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,1,0,0,0,0|0,0,0]=2 2523 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,1,0,0,0,0|0,0,0]=2 2524 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,1,0,0,0,0|0,0,0]=2 2525 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,1,0,0,0,0|0,0,0]=2 2526 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [1,1,0,0,0,0|1,0,1]=4 2527 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [1,1,0,0,0,0|1,0,1]=4 2528 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,1,0,0,0,0|0,0,0]=2 2529 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,1,0,0,0,0|0,0,0]=2 2530 B6R0.3 CC[C@@H](O)C(C)C MCULE-3684327261 [1,1,0,0,0,0|1,0,1]=4 2531 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,1,0,0,0,0|0,0,0]=2 2532 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,1,0,0,0,0|0,0,0]=2 2533 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,1,0,0,0,0|0,0,0]=2 2534 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,1,0,0,0,0|0,0,0]=2 2535 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,1,0,0,0,0|0,0,0]=2 2536 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [1,1,0,0,0,0|1,0,0]=3 2537 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [1,1,0,0,0,0|1,0,0]=3 2538 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [1,1,0,0,0,0|1,0,0]=3 2539 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [1,1,0,0,0,0|1,0,0]=3 2540 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,1,0,0,0,0|0,0,0]=2 2541 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,1,0,0,0,0|0,0,0]=2 2542 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,1,0,0,0,0|0,0,0]=2 2543 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,1,0,0,0,0|0,0,0]=2 2544 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [1,1,0,0,0,0|0,1,0]=3 2545 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [1,1,0,0,0,0|0,1,0]=3 2546 B6R0.3 CC[C@H](N)C(C)C MCULE-3200638239 [1,1,0,0,0,0|1,0,1]=4 2547 B6R0.3 CC[C@H](N)C(C)C MCULE-4973720203 [1,1,0,0,0,0|1,0,1]=4 2548 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [1,1,0,0,0,0|1,0,1]=4 2549 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [1,1,0,0,0,0|1,0,1]=4 2550 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [1,1,0,0,0,0|1,0,1]=4 2551 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [1,1,0,0,0,0|1,0,1]=4 2552 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [1,1,0,0,0,0|1,0,1]=4 2553 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [1,1,0,0,0,0|1,0,1]=4 2554 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,1,0,0,0,0|0,0,0]=2 2555 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,1,0,0,0,0|0,0,0]=2 2556 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,1,0,0,0,0|0,0,1]=3 2557 B6R0.3 CC[C@H](O)C(C)C MCULE-9659963395 [1,1,0,0,0,0|1,0,1]=4 2558 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [1,1,0,0,0,0|1,0,1]=4 2559 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [1,1,0,0,0,0|2,0,0]=4 2560 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [1,1,0,0,0,0|2,0,0]=4 2561 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [1,1,0,0,0,0|1,0,0]=3 2562 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [1,1,0,0,0,0|1,0,0]=3 2563 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [1,1,0,0,0,0|1,0,0]=3 2564 B6R0.3 CNC(C)C(C)C MCULE-3041212030 [1,1,0,0,0,0|2,0,0]=4 2565 B6R0.3 CNC(C)C(C)C MCULE-7052543779 [1,1,0,0,0,0|2,0,0]=4 2566 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [1,1,0,0,0,0|2,0,0]=4 2567 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [1,1,0,0,0,0|1,0,0]=3 2568 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [1,1,0,0,0,0|1,0,0]=3 2569 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [1,1,0,0,0,0|1,0,0]=3 2570 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [1,1,0,0,0,0|1,0,0]=3 2571 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [1,1,0,0,0,0|1,0,0]=3 2572 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [1,1,0,0,0,0|1,0,0]=3 2573 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [1,1,0,0,0,0|1,0,0]=3 2574 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [1,1,0,0,0,0|1,0,1]=4 2575 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [1,1,0,0,0,0|2,0,0]=4 2576 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [1,1,0,0,0,0|1,0,0]=3 2577 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [1,1,0,0,0,0|2,0,0]=4 2578 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [1,1,0,0,0,0|2,0,0]=4 2579 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [1,1,0,0,0,0|1,0,0]=3 2580 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [1,1,0,0,0,0|2,0,0]=4 2581 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [1,1,0,0,0,0|1,0,0]=3 2582 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [1,1,0,0,0,0|1,0,0]=3 2583 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [1,1,0,0,0,0|1,0,0]=3 2584 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [1,1,0,0,0,0|1,0,0]=3 2585 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [1,1,0,0,0,0|2,0,0]=4 2586 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [1,1,0,0,0,0|1,0,0]=3 2587 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,1,0,0,0,0|1,0,0]=3 2588 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,1,0,0,0,0|1,0,0]=3 2589 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,1,0,0,0,0|1,0,0]=3 2590 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,1,0,0,0,0|1,0,0]=3 2591 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,1,0,0,0,0|1,0,0]=3 2592 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,1,0,0,0,0|1,0,0]=3 2593 B6R0.3 C[C@@H](CO)N(C)C MCULE-4388248602 [1,1,0,0,0,0|1,0,1]=4 2594 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [1,1,0,0,0,0|1,0,1]=4 2595 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [1,1,0,0,0,0|1,0,1]=4 2596 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [1,1,0,0,0,0|1,0,1]=4 2597 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [1,1,0,0,0,0|1,0,1]=4 2598 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [1,1,0,0,0,0|1,0,1]=4 2599 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [1,1,0,0,0,0|1,0,1]=4 2600 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [1,1,0,0,0,0|2,0,0]=4 2601 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [1,1,0,0,0,0|2,0,0]=4 2602 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,1,0,0,0,0|1,0,0]=3 2603 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,1,0,0,0,0|1,0,0]=3 2604 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,1,0,0,0,0|1,0,0]=3 2605 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,1,0,0,0,0|1,0,0]=3 2606 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,1,0,0,0,0|1,0,0]=3 2607 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,1,0,0,0,0|1,0,0]=3 2608 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [1,1,0,0,0,0|1,0,1]=4 2609 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [1,1,0,0,0,0|1,0,1]=4 2610 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [1,1,0,0,0,0|1,0,1]=4 2611 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [1,1,0,0,0,0|1,0,1]=4 2612 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [1,1,0,0,0,0|1,0,1]=4 2613 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [1,1,0,0,0,0|1,0,1]=4 2614 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [1,1,0,0,0,0|2,0,0]=4 2615 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [1,1,0,0,0,0|2,0,0]=4 2616 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [1,1,0,0,0,0|2,0,0]=4 2617 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [1,1,0,0,0,0|2,0,0]=4 2618 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [1,1,0,0,0,0|2,0,0]=4 2619 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [1,1,0,0,0,0|2,0,0]=4 2620 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [1,1,0,0,0,0|2,0,0]=4 2621 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [1,1,0,0,0,0|2,0,0]=4 2622 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [1,1,0,0,0,0|2,0,0]=4 2623 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [1,1,0,0,0,0|2,0,0]=4 2624 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [1,1,0,0,0,0|2,0,0]=4 2625 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [1,1,0,0,0,0|2,0,0]=4 2626 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [1,1,0,0,0,0|2,0,0]=4 2627 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [1,1,0,0,0,0|2,0,0]=4 2628 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [1,1,0,0,0,0|2,0,0]=4 2629 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [1,1,0,0,0,0|2,0,0]=4 2630 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [1,1,0,0,0,0|1,0,0]=3 2631 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [1,1,0,0,0,0|1,0,0]=3 2632 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [1,1,0,0,0,0|1,0,0]=3 2633 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [1,1,0,0,0,0|1,0,0]=3 2634 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,1,0,0,0,0|1,0,0]=3 2635 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,1,0,0,0,0|1,0,0]=3 2636 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [1,1,0,0,0,0|1,0,0]=3 2637 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [1,1,0,0,0,0|1,0,0]=3 2638 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [1,1,0,0,0,0|1,0,0]=3 2639 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [1,1,0,0,0,0|1,0,0]=3 2640 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,1,0,0,0,0|1,0,0]=3 2641 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,1,0,0,0,0|1,0,0]=3 2642 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,1,0,0,0,0|1,0,0]=3 2643 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,1,0,0,0,0|1,0,0]=3 2644 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,1,0,0,0,0|1,0,0]=3 2645 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,1,0,0,0,0|1,0,0]=3 2646 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,1,0,0,0,0|1,0,0]=3 2647 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,1,0,0,0,0|1,0,0]=3 2648 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,1,0,0,0,0|1,0,0]=3 2649 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [1,1,0,0,0,0|2,0,0]=4 2650 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [1,1,0,0,0,0|2,0,0]=4 2651 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,1,0,0,0,0|1,0,0]=3 2652 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,1,0,0,0,0|1,0,0]=3 2653 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,1,0,0,0,0|1,0,0]=3 2654 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,1,0,0,0,0|1,0,0]=3 2655 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,1,0,0,0,0|1,0,0]=3 2656 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,1,0,0,0,0|1,0,0]=3 2657 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,1,0,0,0,0|1,0,0]=3 2658 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,1,0,0,0,0|1,0,0]=3 2659 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,1,0,0,0,0|1,0,0]=3 2660 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,1,0,0,0,0|1,0,0]=3 2661 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,1,0,0,0,0|1,0,0]=3 2662 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,1,0,0,0,0|1,0,0]=3 2663 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,1,0,0,0,0|1,0,0]=3 2664 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,1,0,0,0,0|1,0,0]=3 2665 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,1,0,0,0,0|1,0,0]=3 2666 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,1,0,0,0,0|1,0,0]=3 2667 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,1,0,0,0,0|1,0,0]=3 2668 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,1,0,0,0,0|1,0,0]=3 2669 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,1,0,0,0,0|1,0,0]=3 2670 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,1,0,0,0,0|1,0,0]=3 2671 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,1,0,0,0,0|1,0,0]=3 2672 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,1,0,0,0,0|1,0,0]=3 2673 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,1,0,0,0,0|1,0,0]=3 2674 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [1,1,0,0,0,0|1,0,0]=3 2675 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [1,1,0,0,0,0|1,0,0]=3 2676 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [1,1,0,0,0,0|1,0,0]=3 2677 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [1,1,0,0,0,0|1,0,0]=3 2678 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,1,0,0,0,0|1,0,0]=3 2679 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,1,0,0,0,0|1,0,0]=3 2680 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,1,0,0,0,0|1,0,0]=3 2681 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,1,0,0,0,0|1,0,0]=3 2682 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [1,1,0,0,0,0|1,0,0]=3 2683 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [1,1,0,0,0,0|1,0,0]=3 2684 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [1,1,0,0,0,0|1,0,0]=3 2685 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [1,1,0,0,0,0|1,0,0]=3 2686 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [1,1,0,0,0,0|1,0,0]=3 2687 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [1,1,0,0,0,0|1,0,0]=3 2688 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [1,1,0,0,0,0|1,0,0]=3 2689 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [1,1,0,0,0,0|1,0,0]=3 2690 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [1,1,0,0,0,0|1,0,0]=3 2691 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [1,1,0,0,0,0|1,0,0]=3 2692 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,1,0,0,0,0|1,0,0]=3 2693 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,1,0,0,0,0|1,0,0]=3 2694 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [1,1,0,0,0,0|1,0,0]=3 2695 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [1,1,0,0,0,0|1,0,0]=3 2696 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [1,1,0,0,0,0|1,0,0]=3 2697 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [1,1,0,0,0,0|1,0,0]=3 2698 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [1,1,0,0,0,0|2,0,0]=4 2699 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [1,1,0,0,0,0|2,0,0]=4 2700 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [1,1,0,0,0,0|1,0,1]=4 2701 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [1,1,0,0,0,0|1,0,1]=4 2702 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [1,1,0,0,0,0|1,0,1]=4 2703 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [1,1,0,0,0,0|1,0,1]=4 2704 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [1,1,0,0,0,0|1,0,1]=4 2705 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [1,1,0,0,0,0|1,0,0]=3 2706 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [1,1,0,0,0,0|1,0,0]=3 2707 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,1,0,0,0,0|1,0,0]=3 2708 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [1,1,0,0,0,0|1,0,0]=3 2709 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,1,0,0,0,0|1,0,0]=3 2710 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [1,1,0,0,0,0|1,0,0]=3 2711 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,1,0,0,0,0|1,0,0]=3 2712 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,1,0,0,0,0|1,0,0]=3 2713 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,1,0,0,0,0|1,0,0]=3 2714 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,1,0,0,0,0|1,0,0]=3 2715 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,1,0,0,0,0|1,0,0]=3 2716 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,1,0,0,0,0|1,0,0]=3 2717 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,1,0,0,0,0|1,0,0]=3 2718 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,1,0,0,0,0|1,0,0]=3 2719 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,1,0,0,0,0|1,0,0]=3 2720 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,1,0,0,0,0|1,0,0]=3 2721 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,1,0,0,0,0|1,0,0]=3 2722 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [1,1,0,0,0,0|1,0,1]=4 2723 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,1,0,0,0,0|0,0,2]=4 2724 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,1,0,0,0,0|1,0,0]=3 2725 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [1,1,0,0,0,0|1,0,0]=3 2726 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [1,1,0,0,0,0|2,0,0]=4 2727 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,1,0,0,0,0|0,0,0]=2 2728 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [1,1,0,0,0,0|1,0,0]=3 2729 B6R0.4 C#CC=CC(C)C MCULE-6714802798 [1,1,0,0,0,0|1,0,1]=4 2730 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,1,0,0,0,0|1,0,1]=4 2731 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,1,0,0,0,0|1,0,1]=4 2732 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,1,0,0,0,0|1,0,1]=4 2733 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,1,0,0,0,0|0,0,1]=3 2734 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,1,0,0,0,0|0,0,2]=4 2735 B6R0.4 C#CCCC(C)C MCULE-9613694830 [1,1,0,0,0,0|1,0,1]=4 2736 B6R0.4 C#CCNC(C)C MCULE-6517958599 [1,1,0,0,0,0|1,0,1]=4 2737 B6R0.4 C#CCNC(C)C MCULE-7459223609 [1,1,0,0,0,0|1,0,1]=4 2738 B6R0.4 C#CCOC(C)C MCULE-3111253071 [1,1,0,0,0,0|1,0,1]=4 2739 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,1,0,0,0,0|1,0,1]=4 2740 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,1,0,0,0,0|1,0,1]=4 2741 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,1,0,0,0,0|0,0,1]=3 2742 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,1,0,0,0,0|2,0,0]=4 2743 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,1,0,0,0,0|2,0,0]=4 2744 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,1,0,0,0,0|2,0,0]=4 2745 B6R0.4 C=C(C)CNCC MCULE-2237759977 [1,1,0,0,0,0|2,0,0]=4 2746 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [1,1,0,0,0,0|2,0,0]=4 2747 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,1,0,0,0,0|2,0,0]=4 2748 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,1,0,0,0,0|0,0,2]=4 2749 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,1,0,0,0,0|1,0,1]=4 2750 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,1,0,0,0,0|1,0,1]=4 2751 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,1,0,0,0,0|1,0,1]=4 2752 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,1,0,0,0,0|0,0,1]=3 2753 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [1,1,0,0,0,0|2,0,0]=4 2754 B6R0.4 C=CCCC(C)C MCULE-7128249655 [1,1,0,0,0,0|1,0,0]=3 2755 B6R0.4 C=CCCC(C)O MCULE-3388106789 [1,1,0,0,0,0|2,0,0]=4 2756 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [1,1,0,0,0,0|2,0,0]=4 2757 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [1,1,0,0,0,0|2,0,0]=4 2758 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [1,1,0,0,0,0|2,0,0]=4 2759 B6R0.4 C=CCNC(C)C MCULE-1450045891 [1,1,0,0,0,0|1,0,0]=3 2760 B6R0.4 C=CCNC(C)C MCULE-3261189096 [1,1,0,0,0,0|1,0,0]=3 2761 B6R0.4 C=CCNC(C)C MCULE-4894255968 [1,1,0,0,0,0|1,0,0]=3 2762 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,1,0,0,0,0|0,0,2]=4 2763 B6R0.4 C=COCC(C)C MCULE-7268141053 [1,1,0,0,0,0|1,0,0]=3 2764 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,1,0,0,0,0|0,0,1]=3 2765 B6R0.4 CC(=CCCO)C MCULE-2493404466 [1,1,0,0,0,0|0,0,2]=4 2766 B6R0.4 CC(=CCCO)C MCULE-8497528596 [1,1,0,0,0,0|0,0,2]=4 2767 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,1,0,0,0,0|1,0,1]=4 2768 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,1,0,0,0,0|1,0,1]=4 2769 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,1,0,0,0,0|1,0,1]=4 2770 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,1,0,0,0,0|1,0,0]=3 2771 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,1,0,0,0,0|1,0,0]=3 2772 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,1,0,0,0,0|1,0,0]=3 2773 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,1,0,0,0,0|2,0,0]=4 2774 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,1,0,0,0,0|2,0,0]=4 2775 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,1,0,0,0,0|2,0,0]=4 2776 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,1,0,0,0,0|2,0,0]=4 2777 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,1,0,0,0,0|2,0,0]=4 2778 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,1,0,0,0,0|2,0,0]=4 2779 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,1,0,0,0,0|2,0,0]=4 2780 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,1,0,0,0,0|2,0,0]=4 2781 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,1,0,0,0,0|2,0,0]=4 2782 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,1,0,0,0,0|2,0,0]=4 2783 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,1,0,0,0,0|2,0,0]=4 2784 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,1,0,0,0,0|2,0,0]=4 2785 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,1,0,0,0,0|2,0,0]=4 2786 B6R0.4 CC(C)C=CC=O MCULE-5034551905 [1,1,0,0,0,0|0,0,1]=3 2787 B6R0.4 CC(C)C=CCBr MCULE-9812152361 [1,1,0,0,0,0|1,0,1]=4 2788 B6R0.4 CC(C)CCC#N MCULE-5503038837 [1,1,0,0,0,0|1,0,1]=4 2789 B6R0.4 CC(C)CCC=O MCULE-9664145623 [1,1,0,0,0,0|0,0,0]=2 2790 B6R0.4 CC(C)CCCBr MCULE-2045625937 [1,1,0,0,0,0|1,0,1]=4 2791 B6R0.4 CC(C)CCCCl MCULE-4841628592 [1,1,0,0,0,0|1,0,1]=4 2792 B6R0.4 CC(C)CCCI MCULE-4035616717 [1,1,0,0,0,0|1,0,1]=4 2793 B6R0.4 CC(C)CCCN MCULE-2232715676 [1,1,0,0,0,0|1,0,1]=4 2794 B6R0.4 CC(C)CCCN MCULE-7121372197 [1,1,0,0,0,0|1,0,1]=4 2795 B6R0.4 CC(C)CCCO MCULE-5797993948 [1,1,0,0,0,0|0,0,1]=3 2796 B6R0.4 CC(C)CCCS MCULE-8417191578 [1,1,0,0,0,0|0,1,1]=4 2797 B6R0.4 CC(C)CCNN MCULE-1163630283 [1,1,0,0,0,0|1,0,1]=4 2798 B6R0.4 CC(C)CCNN MCULE-2023326468 [1,1,0,0,0,0|1,0,1]=4 2799 B6R0.4 CC(C)CCNN MCULE-4572239737 [1,1,0,0,0,0|1,0,1]=4 2800 B6R0.4 CC(C)CCON MCULE-2653553816 [1,1,0,0,0,0|0,0,1]=3 2801 B6R0.4 CC(C)CCON MCULE-6468395078 [1,1,0,0,0,0|0,0,1]=3 2802 B6R0.4 CC(C)CN=C=O MCULE-3174970377 [1,1,0,0,0,0|0,0,1]=3 2803 B6R0.4 CC(C)CN=C=S MCULE-8043723276 [1,1,0,0,0,0|0,1,1]=4 2804 B6R0.4 CC(C)CN=N#N MCULE-3597135332 [1,1,0,0,0,0|2,0,0]=4 2805 B6R0.4 CC(C)CNC=O MCULE-2156996206 [1,1,0,0,0,0|0,0,0]=2 2806 B6R0.4 CC(C)COC=O MCULE-8234906771 [1,1,0,0,0,0|0,0,0]=2 2807 B6R0.4 CC(C)COCCl MCULE-2194640169 [1,1,0,0,0,0|1,0,1]=4 2808 B6R0.4 CC(C)CON=O MCULE-8394966903 [1,1,0,0,0,0|1,0,0]=3 2809 B6R0.4 CC(C)CSCCl MCULE-5218455619 [1,1,0,0,0,0|1,0,1]=4 2810 B6R0.4 CC(C)NCC#N MCULE-1545752174 [1,1,0,0,0,0|1,0,1]=4 2811 B6R0.4 CC(C)NCC#N MCULE-4381172074 [1,1,0,0,0,0|1,0,1]=4 2812 B6R0.4 CC(C)NCCCl MCULE-1521398137 [1,1,0,0,0,0|1,0,1]=4 2813 B6R0.4 CC(C)NCCCl MCULE-2586914937 [1,1,0,0,0,0|1,0,1]=4 2814 B6R0.4 CC(C)NCCN MCULE-1003086359 [1,1,0,0,0,0|1,0,1]=4 2815 B6R0.4 CC(C)NCCN MCULE-5066931507 [1,1,0,0,0,0|1,0,1]=4 2816 B6R0.4 CC(C)NCCO MCULE-1749029105 [1,1,0,0,0,0|0,0,1]=3 2817 B6R0.4 CC(C)OCC#N MCULE-4594795380 [1,1,0,0,0,0|1,0,1]=4 2818 B6R0.4 CC(C)OCC=O MCULE-5974054323 [1,1,0,0,0,0|0,0,0]=2 2819 B6R0.4 CC(C)OCCBr MCULE-8869065375 [1,1,0,0,0,0|1,0,1]=4 2820 B6R0.4 CC(C)OCCCl MCULE-3848763715 [1,1,0,0,0,0|1,0,1]=4 2821 B6R0.4 CC(C)OCCI MCULE-8259612531 [1,1,0,0,0,0|1,0,1]=4 2822 B6R0.4 CC(C)OCCN MCULE-6140628944 [1,1,0,0,0,0|1,0,1]=4 2823 B6R0.4 CC(C)OCCN MCULE-7438591135 [1,1,0,0,0,0|1,0,1]=4 2824 B6R0.4 CC(C)OCCN MCULE-7614115649 [1,1,0,0,0,0|1,0,1]=4 2825 B6R0.4 CC(C)OCCO MCULE-8766149613 [1,1,0,0,0,0|0,0,1]=3 2826 B6R0.4 CC(C)SCC#N MCULE-2685282403 [1,1,0,0,0,0|1,0,1]=4 2827 B6R0.4 CC(C)SCC=O MCULE-3174965592 [1,1,0,0,0,0|0,0,0]=2 2828 B6R0.4 CC(C)SCCCl MCULE-4991548042 [1,1,0,0,0,0|1,0,1]=4 2829 B6R0.4 CC(C)SCCN MCULE-2838203545 [1,1,0,0,0,0|1,0,1]=4 2830 B6R0.4 CC(C)SCCN MCULE-6551225219 [1,1,0,0,0,0|1,0,1]=4 2831 B6R0.4 CC(C)SCCO MCULE-1467015400 [1,1,0,0,0,0|0,0,1]=3 2832 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [1,1,0,0,0,0|1,0,1]=4 2833 B6R0.4 CC(N)CCCO MCULE-6629535696 [1,1,0,0,0,0|1,0,1]=4 2834 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,1,0,0,0,0|1,0,1]=4 2835 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,1,0,0,0,0|1,0,1]=4 2836 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,1,0,0,0,0|1,0,1]=4 2837 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,1,0,0,0,0|1,0,1]=4 2838 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,1,0,0,0,0|1,0,1]=4 2839 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,1,0,0,0,0|0,0,1]=3 2840 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,1,0,0,0,0|0,0,1]=3 2841 B6R0.4 CC=CCC(C)C MCULE-7145682250 [1,1,0,0,0,0|1,0,0]=3 2842 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [1,1,0,0,0,0|1,0,1]=4 2843 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,1,0,0,0,0|0,0,1]=3 2844 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,1,0,0,0,0|1,0,1]=4 2845 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,1,0,0,0,0|1,0,1]=4 2846 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,1,0,0,0,0|0,0,1]=3 2847 B6R0.4 CCCC=C(C)C MCULE-2110588796 [1,1,0,0,0,0|2,0,0]=4 2848 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,1,0,0,0,0|1,0,1]=4 2849 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,1,0,0,0,0|2,0,0]=4 2850 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,1,0,0,0,0|2,0,0]=4 2851 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,1,0,0,0,0|1,0,0]=3 2852 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,1,0,0,0,0|1,0,0]=3 2853 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,1,0,0,0,0|1,0,0]=3 2854 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,1,0,0,0,0|1,0,0]=3 2855 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,1,0,0,0,0|0,0,0]=2 2856 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,1,0,0,0,0|0,0,1]=3 2857 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,1,0,0,0,0|1,1,0]=4 2858 B6R0.4 CCCCC(C)C MCULE-7568461039 [1,1,0,0,0,0|1,0,1]=4 2859 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,1,0,0,0,0|1,0,1]=4 2860 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,1,0,0,0,0|1,0,1]=4 2861 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,1,0,0,0,0|1,0,1]=4 2862 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,1,0,0,0,0|1,0,1]=4 2863 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,1,0,0,0,0|1,0,1]=4 2864 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,1,0,0,0,0|1,0,1]=4 2865 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,1,0,0,0,0|1,0,1]=4 2866 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,1,0,0,0,0|1,0,1]=4 2867 B6R0.4 CCCNC(=N)N MCULE-6381843991 [1,1,0,0,0,0|2,0,0]=4 2868 B6R0.4 CCCNC(=N)N MCULE-8286774592 [1,1,0,0,0,0|2,0,0]=4 2869 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,1,0,0,0,0|1,0,0]=3 2870 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,1,0,0,0,0|1,0,0]=3 2871 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,1,0,0,0,0|1,0,0]=3 2872 B6R0.4 CCCNC(=S)N MCULE-3142756488 [1,1,0,0,0,0|1,1,0]=4 2873 B6R0.4 CCCNC(C)C MCULE-7475023734 [1,1,0,0,0,0|1,0,1]=4 2874 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,1,0,0,0,0|1,0,0]=3 2875 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,1,0,0,0,0|1,0,0]=3 2876 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,1,0,0,0,0|1,0,0]=3 2877 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [1,1,0,0,0,0|0,2,0]=4 2878 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [1,1,0,0,0,0|0,2,0]=4 2879 B6R0.4 CCCON(=O)=O MCULE-3372904250 [1,1,0,0,0,0|1,0,1]=4 2880 B6R0.4 CCCSC(=N)N MCULE-4777505658 [1,1,0,0,0,0|2,0,0]=4 2881 B6R0.4 CCCSC(=N)N MCULE-8873393921 [1,1,0,0,0,0|2,0,0]=4 2882 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,1,0,0,0,0|1,0,0]=3 2883 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,1,0,0,0,0|1,0,0]=3 2884 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [1,1,0,0,0,0|2,0,0]=4 2885 B6R0.4 CCCSC(C)C MCULE-2233656285 [1,1,0,0,0,0|1,0,1]=4 2886 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,1,0,0,0,0|1,0,0]=3 2887 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,1,0,0,0,0|1,0,0]=3 2888 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,1,0,0,0,0|1,0,0]=3 2889 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,1,0,0,0,0|1,0,0]=3 2890 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,1,0,0,0,0|0,0,0]=2 2891 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,1,0,0,0,0|0,0,0]=2 2892 B6R0.4 CCNCC(C)C MCULE-1625905125 [1,1,0,0,0,0|1,0,1]=4 2893 B6R0.4 CCNCC(C)C MCULE-3527739859 [1,1,0,0,0,0|1,0,1]=4 2894 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,1,0,0,0,0|1,0,1]=4 2895 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,1,0,0,0,0|1,0,1]=4 2896 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,1,0,0,0,0|1,0,1]=4 2897 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,1,0,0,0,0|1,0,1]=4 2898 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,1,0,0,0,0|1,0,1]=4 2899 B6R0.4 CCOCC(=N)N MCULE-3232806707 [1,1,0,0,0,0|2,0,0]=4 2900 B6R0.4 CCOCC(=N)N MCULE-4996987536 [1,1,0,0,0,0|2,0,0]=4 2901 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,1,0,0,0,0|1,0,0]=3 2902 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,1,0,0,0,0|1,0,0]=3 2903 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,1,0,0,0,0|0,0,0]=2 2904 B6R0.4 CCOCC(=S)N MCULE-7064672670 [1,1,0,0,0,0|1,1,0]=4 2905 B6R0.4 CCOCC(C)C MCULE-7986128672 [1,1,0,0,0,0|1,0,1]=4 2906 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,1,0,0,0,0|1,0,1]=4 2907 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,1,0,0,0,0|1,0,1]=4 2908 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,1,0,0,0,0|1,0,0]=3 2909 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,1,0,0,0,0|0,0,0]=2 2910 B6R0.4 CN(C)/C=C/C=O MCULE-2048385164 [1,1,0,0,0,0|1,0,1]=4 2911 B6R0.4 CN(C)C=CC=O MCULE-3308636651 [1,1,0,0,0,0|1,0,1]=4 2912 B6R0.4 CN(C)CCC=O MCULE-6830649526 [1,1,0,0,0,0|1,0,0]=3 2913 B6R0.4 CN(C)CCCO MCULE-7408728427 [1,1,0,0,0,0|1,0,1]=4 2914 B6R0.4 CN(C)CCON MCULE-1981169712 [1,1,0,0,0,0|1,0,1]=4 2915 B6R0.4 CN(C)CCON MCULE-6706970282 [1,1,0,0,0,0|1,0,1]=4 2916 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,1,0,0,0,0|1,0,0]=3 2917 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,1,0,0,0,0|1,0,0]=3 2918 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,1,0,0,0,0|0,0,0]=2 2919 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,1,0,0,0,0|0,0,0]=2 2920 B6R0.4 CNCCC(C)C MCULE-3679914556 [1,1,0,0,0,0|1,0,1]=4 2921 B6R0.4 CNCCC(C)C MCULE-9679972004 [1,1,0,0,0,0|1,0,1]=4 2922 B6R0.4 CNCCC(C)O MCULE-1615526002 [1,1,0,0,0,0|1,0,1]=4 2923 B6R0.4 CNOCC(C)C MCULE-4779196887 [1,1,0,0,0,0|2,0,0]=4 2924 B6R0.4 CNOCC(C)C MCULE-7320343096 [1,1,0,0,0,0|2,0,0]=4 2925 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,1,0,0,0,0|0,0,2]=4 2926 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,1,0,0,0,0|0,0,2]=4 2927 B6R0.4 COCCC(=N)N MCULE-8118559492 [1,1,0,0,0,0|2,0,0]=4 2928 B6R0.4 COCCC(=N)N MCULE-9000138086 [1,1,0,0,0,0|2,0,0]=4 2929 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,1,0,0,0,0|1,0,0]=3 2930 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,1,0,0,0,0|1,0,0]=3 2931 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,1,0,0,0,0|1,0,0]=3 2932 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,1,0,0,0,0|0,0,0]=2 2933 B6R0.4 COCCC(C)Br MCULE-6529807745 [1,1,0,0,0,0|1,0,1]=4 2934 B6R0.4 COCCC(C)C MCULE-8727768886 [1,1,0,0,0,0|0,0,1]=3 2935 B6R0.4 COCCC(C)N MCULE-6183216923 [1,1,0,0,0,0|1,0,1]=4 2936 B6R0.4 COCCC(C)O MCULE-6536001437 [1,1,0,0,0,0|1,0,1]=4 2937 B6R0.4 COCCN(C)C MCULE-5323166567 [1,1,0,0,0,0|1,0,1]=4 2938 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [1,1,0,0,0,0|1,0,1]=4 2939 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [1,1,0,0,0,0|1,0,1]=4 2940 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,1,0,0,0,0|2,0,0]=4 2941 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,1,0,0,0,0|2,0,0]=4 2942 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,1,0,0,0,0|1,0,1]=4 2943 B6R0.4 CON=CC(C)C MCULE-1606683545 [1,1,0,0,0,0|1,0,1]=4 2944 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,1,0,0,0,0|2,0,0]=4 2945 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,1,0,0,0,0|2,0,0]=4 2946 B6R0.4 CSCCC(=N)N MCULE-3926353306 [1,1,0,0,0,0|2,0,0]=4 2947 B6R0.4 CSCCC(=N)N MCULE-4451485733 [1,1,0,0,0,0|2,0,0]=4 2948 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,1,0,0,0,0|1,0,0]=3 2949 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,1,0,0,0,0|1,0,0]=3 2950 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,1,0,0,0,0|1,0,0]=3 2951 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,1,0,0,0,0|0,0,0]=2 2952 B6R0.4 CSCCC(C)O MCULE-5934844952 [1,1,0,0,0,0|1,0,1]=4 2953 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,1,0,0,0,0|2,0,0]=4 2954 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,1,0,0,0,0|1,0,0]=3 2955 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [1,1,0,0,0,0|1,0,1]=4 2956 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,1,0,0,0,0|1,0,1]=4 2957 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,1,0,0,0,0|0,0,1]=3 2958 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,1,0,0,0,0|1,0,1]=4 2959 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,1,0,0,0,0|2,0,0]=4 2960 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,1,0,0,0,0|1,0,0]=3 2961 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,1,0,0,0,0|1,0,0]=3 2962 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,1,0,0,0,0|2,0,0]=4 2963 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,1,0,0,0,0|2,0,0]=4 2964 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,1,0,0,0,0|2,0,0]=4 2965 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,1,0,0,0,0|2,0,0]=4 2966 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,1,0,0,0,0|2,0,0]=4 2967 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,1,0,0,0,0|1,1,0]=4 2968 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,1,0,0,0,0|0,0,2]=4 2969 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,1,0,0,0,0|0,0,2]=4 2970 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,1,0,0,0,0|0,0,2]=4 2971 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,1,0,0,0,0|0,0,2]=4 2972 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,1,0,0,0,0|1,0,0]=3 2973 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,1,0,0,0,0|1,0,0]=3 2974 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,1,0,0,0,0|1,0,0]=3 2975 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,1,0,0,0,0|1,0,0]=3 2976 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,1,0,0,0,0|0,0,0]=2 2977 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,1,0,0,0,0|0,0,0]=2 2978 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,1,0,0,0,0|2,0,0]=4 2979 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,1,0,0,0,0|2,0,0]=4 2980 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,1,0,0,0,0|2,0,0]=4 2981 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,1,0,0,0,0|2,0,0]=4 2982 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,1,0,0,0,0|2,0,0]=4 2983 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,1,0,0,0,0|1,0,0]=3 2984 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,1,0,0,0,0|1,0,0]=3 2985 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,1,0,0,0,0|1,0,0]=3 2986 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,1,0,0,0,0|1,0,0]=3 2987 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,1,0,0,0,0|2,0,0]=4 2988 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,1,0,0,0,0|2,0,0]=4 2989 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,1,0,0,0,0|2,0,0]=4 2990 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,1,0,0,0,0|0,0,2]=4 2991 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,1,0,0,0,0|0,0,2]=4 2992 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,1,0,0,0,0|0,0,2]=4 2993 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,1,0,0,0,0|0,0,2]=4 2994 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,1,0,0,0,0|0,0,2]=4 2995 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,1,0,0,0,0|0,0,2]=4 2996 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,1,0,0,0,0|0,0,2]=4 2997 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,1,0,0,0,0|0,0,2]=4 2998 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,1,0,0,0,0|0,0,2]=4 2999 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,1,0,0,0,0|0,0,0]=2 3000 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,1,0,0,0,0|0,0,0]=2 3001 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,1,0,0,0,0|0,0,0]=2 3002 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,1,0,0,0,0|0,0,0]=2 3003 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,1,0,0,0,0|0,0,0]=2 3004 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,1,0,0,0,0|1,0,0]=3 3005 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,1,0,0,0,0|0,0,1]=3 3006 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,1,0,0,0,0|1,0,1]=4 3007 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,1,0,0,0,0|0,0,1]=3 3008 B6R0.4 O=CCCC(F)F MCULE-4743402824 [1,1,0,0,0,0|2,0,0]=4 3009 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,1,0,0,0,0|1,0,1]=4 3010 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [1,1,0,0,0,0|1,0,1]=4 3011 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [1,1,0,0,0,0|1,0,1]=4 3012 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,1,0,0,0,0|1,0,1]=4 3013 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [1,1,0,0,0,0|1,0,1]=4 3014 B6R0.5 C#CCC(C)(C)C MCULE-5205001750 [1,1,0,0,0,0|1,0,1]=4 3015 B6R0.5 C#CCC(C)(C)O MCULE-6680730908 [1,1,0,0,0,0|1,0,1]=4 3016 B6R0.5 C/C=N/C(C)(C)C MCULE-5626139763 [1,1,0,0,0,0|2,0,0]=4 3017 B6R0.5 C=CCC(C)(C)C MCULE-1992751113 [1,1,0,0,0,0|1,0,0]=3 3018 B6R0.5 C=CCC(C)(C)N MCULE-5186161263 [1,1,0,0,0,0|1,0,0]=3 3019 B6R0.5 C=CCC(C)(C)N MCULE-6288336754 [1,1,0,0,0,0|1,0,0]=3 3020 B6R0.5 C=CCC(C)(C)O MCULE-3560651758 [1,1,0,0,0,0|1,0,0]=3 3021 B6R0.5 C=CC[N+](C)(C)C MCULE-5418366165 [1,1,0,0,0,0|2,0,0]=4 3022 B6R0.5 C=CC[N+](C)(C)C MCULE-8037238801 [1,1,0,0,0,0|2,0,0]=4 3023 B6R0.5 C=CC[Si](C)(C)C MCULE-5031938571 [1,1,0,0,0,0|1,1,0]=4 3024 B6R0.5 C=CC[Si](C)(C)Cl MCULE-1810628320 [1,1,0,0,0,0|1,1,0]=4 3025 B6R0.5 C=CC[Sn](C)(C)C MCULE-7062318521 [1,1,0,0,0,0|2,0,0]=4 3026 B6R0.5 C=COC(C)(C)C MCULE-5049432761 [1,1,0,0,0,0|2,0,0]=4 3027 B6R0.5 CC(C)(Br)CCBr MCULE-9461856185 [1,1,0,0,0,0|1,0,1]=4 3028 B6R0.5 CC(C)(C)/C=N/O MCULE-3498128731 [1,1,0,0,0,0|1,0,1]=4 3029 B6R0.5 CC(C)(C)C=NO MCULE-5715890481 [1,1,0,0,0,0|1,0,1]=4 3030 B6R0.5 CC(C)(C)CC#N MCULE-6975965361 [1,1,0,0,0,0|1,0,1]=4 3031 B6R0.5 CC(C)(C)CC=O MCULE-6726853595 [1,1,0,0,0,0|0,0,0]=2 3032 B6R0.5 CC(C)(C)CCBr MCULE-6591692767 [1,1,0,0,0,0|1,0,1]=4 3033 B6R0.5 CC(C)(C)CCCl MCULE-6806888253 [1,1,0,0,0,0|1,0,1]=4 3034 B6R0.5 CC(C)(C)CCI MCULE-5455265220 [1,1,0,0,0,0|1,0,1]=4 3035 B6R0.5 CC(C)(C)CCN MCULE-6905943138 [1,1,0,0,0,0|1,0,1]=4 3036 B6R0.5 CC(C)(C)CCN MCULE-9954564734 [1,1,0,0,0,0|1,0,1]=4 3037 B6R0.5 CC(C)(C)CCO MCULE-3121776589 [1,1,0,0,0,0|0,0,1]=3 3038 B6R0.5 CC(C)(C)CNN MCULE-3729898632 [1,1,0,0,0,0|2,0,0]=4 3039 B6R0.5 CC(C)(C)CNN MCULE-7338301070 [1,1,0,0,0,0|2,0,0]=4 3040 B6R0.5 CC(C)(C)CNN MCULE-8350150213 [1,1,0,0,0,0|2,0,0]=4 3041 B6R0.5 CC(C)(C)CON MCULE-2962518041 [1,1,0,0,0,0|2,0,0]=4 3042 B6R0.5 CC(C)(C)CON MCULE-7840185186 [1,1,0,0,0,0|2,0,0]=4 3043 B6R0.5 CC(C)(C)N=C=O MCULE-5607363135 [1,1,0,0,0,0|1,0,1]=4 3044 B6R0.5 CC(C)(C)NC=O MCULE-4474324800 [1,1,0,0,0,0|1,0,0]=3 3045 B6R0.5 CC(C)(C)OC=O MCULE-3317941666 [1,1,0,0,0,0|1,0,0]=3 3046 B6R0.5 CC(C)(C)ON=O MCULE-6314034226 [1,1,0,0,0,0|2,0,0]=4 3047 B6R0.5 CC(C)(Cl)CCCl MCULE-1702128758 [1,1,0,0,0,0|1,0,1]=4 3048 B6R0.5 CC(C)(F)CCN MCULE-8439738647 [1,1,0,0,0,0|1,0,1]=4 3049 B6R0.5 CC(C)(F)CCN MCULE-9182730805 [1,1,0,0,0,0|1,0,1]=4 3050 B6R0.5 CC(C)(F)CCO MCULE-7157649991 [1,1,0,0,0,0|0,0,1]=3 3051 B6R0.5 CC(C)(I)CCO MCULE-2114317591 [1,1,0,0,0,0|0,0,1]=3 3052 B6R0.5 CC(C)(N)CCN MCULE-3524950958 [1,1,0,0,0,0|1,0,1]=4 3053 B6R0.5 CC(C)(N)CCN MCULE-9689616736 [1,1,0,0,0,0|1,0,1]=4 3054 B6R0.5 CC(C)(N)CCO MCULE-2300724181 [1,1,0,0,0,0|0,0,1]=3 3055 B6R0.5 CC(C)(N)CCO MCULE-7470688556 [1,1,0,0,0,0|0,0,1]=3 3056 B6R0.5 CC(C)(N)CON MCULE-2272035336 [1,1,0,0,0,0|2,0,0]=4 3057 B6R0.5 CC(C)(O)CC#N MCULE-9592545749 [1,1,0,0,0,0|1,0,1]=4 3058 B6R0.5 CC(C)(O)CCBr MCULE-5311251278 [1,1,0,0,0,0|1,0,1]=4 3059 B6R0.5 CC(C)(O)CCCl MCULE-2803507835 [1,1,0,0,0,0|1,0,1]=4 3060 B6R0.5 CC(C)(O)CCI MCULE-1822716730 [1,1,0,0,0,0|1,0,1]=4 3061 B6R0.5 CC(C)(O)CCN MCULE-1233177150 [1,1,0,0,0,0|1,0,1]=4 3062 B6R0.5 CC(C)(O)CCO MCULE-4723950851 [1,1,0,0,0,0|0,0,1]=3 3063 B6R0.5 CC(C)(O)CCS MCULE-5161173776 [1,1,0,0,0,0|0,1,1]=4 3064 B6R0.5 CC(C)(O)CNN MCULE-7127432403 [1,1,0,0,0,0|2,0,0]=4 3065 B6R0.5 CC(C)(O)CNN MCULE-8281516711 [1,1,0,0,0,0|2,0,0]=4 3066 B6R0.5 CC(C)(O)CON MCULE-1954965804 [1,1,0,0,0,0|2,0,0]=4 3067 B6R0.5 CC(C)(O)CON MCULE-9916686271 [1,1,0,0,0,0|2,0,0]=4 3068 B6R0.5 CC(C)(S)CCO MCULE-6218278668 [1,1,0,0,0,0|0,0,1]=3 3069 B6R0.5 CC(F)(F)CCO MCULE-6983720400 [1,1,0,0,0,0|1,0,1]=4 3070 B6R0.5 CC=NC(C)(C)C MCULE-2642166720 [1,1,0,0,0,0|2,0,0]=4 3071 B6R0.5 CCCC(C)(C)C MCULE-2309229328 [1,1,0,0,0,0|1,0,1]=4 3072 B6R0.5 CCCC(C)(C)Cl MCULE-1426018824 [1,1,0,0,0,0|1,0,1]=4 3073 B6R0.5 CCCC(C)(C)N MCULE-2670535144 [1,1,0,0,0,0|1,0,1]=4 3074 B6R0.5 CCCC(C)(C)N MCULE-4533125677 [1,1,0,0,0,0|1,0,1]=4 3075 B6R0.5 CCCC(C)(C)O MCULE-2647276101 [1,1,0,0,0,0|1,0,1]=4 3076 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [1,1,0,0,0,0|1,0,0]=3 3077 B6R0.5 CCCS(=O)(=O)Cl MCULE-4980552385 [1,1,0,0,0,0|1,0,1]=4 3078 B6R0.5 CCCS(=O)(=O)F MCULE-7811564151 [1,1,0,0,0,0|1,0,1]=4 3079 B6R0.5 CCCS(=O)(=O)N MCULE-1554874611 [1,1,0,0,0,0|1,0,1]=4 3080 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [1,1,0,0,0,0|1,0,0]=3 3081 B6R0.5 CCCS(=O)(=O)[O-] MCULE-5970988364 [1,1,0,0,0,0|1,0,1]=4 3082 B6R0.5 CCNS(=O)(=O)O MCULE-8674266317 [1,1,0,0,0,0|2,0,0]=4 3083 B6R0.5 CNCC(C)(C)C MCULE-5731586976 [1,1,0,0,0,0|2,0,0]=4 3084 B6R0.5 CNCC(C)(C)C MCULE-8355958420 [1,1,0,0,0,0|2,0,0]=4 3085 B6R0.5 CNCC(C)(C)F MCULE-3351208185 [1,1,0,0,0,0|2,0,0]=4 3086 B6R0.5 CNCC(C)(C)F MCULE-9594646068 [1,1,0,0,0,0|2,0,0]=4 3087 B6R0.5 CNCC(C)(C)O MCULE-8014545354 [1,1,0,0,0,0|2,0,0]=4 3088 B6R0.5 CNCC(C)(C)O MCULE-8693265107 [1,1,0,0,0,0|2,0,0]=4 3089 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [1,1,0,0,0,0|2,0,0]=4 3090 B6R0.5 COCC(C)(C)N MCULE-1332913947 [1,1,0,0,0,0|2,0,0]=4 3091 B6R0.5 COCC(C)(C)N MCULE-9588666609 [1,1,0,0,0,0|2,0,0]=4 3092 B6R0.5 COCC(C)(C)O MCULE-2480013758 [1,1,0,0,0,0|2,0,0]=4 3093 B6R0.5 CSCC(C)(C)N MCULE-9697189381 [1,1,0,0,0,0|2,0,0]=4 3094 B6R0.5 C[N+](C)(C)CC=O MCULE-1973623516 [1,1,0,0,0,0|1,0,0]=3 3095 B6R0.5 C[N+](C)(C)CC=O MCULE-6964542865 [1,1,0,0,0,0|1,0,0]=3 3096 B6R0.5 C[N+](C)(C)CCO MCULE-3010919014 [1,1,0,0,0,0|1,0,1]=4 3097 B6R0.5 C[N+](C)(C)CCO MCULE-3528185452 [1,1,0,0,0,0|1,0,1]=4 3098 B6R0.5 C[N+](C)(C)CCO MCULE-4172409716 [1,1,0,0,0,0|1,0,1]=4 3099 B6R0.5 C[N+](C)(C)CCO MCULE-7472714268 [1,1,0,0,0,0|1,0,1]=4 3100 B6R0.5 C[N+](C)(C)CCO MCULE-7712564949 [1,1,0,0,0,0|1,0,1]=4 3101 B6R0.5 C[N+](C)(C)CCO MCULE-7734259295 [1,1,0,0,0,0|1,0,1]=4 3102 B6R0.5 C[N+](C)(C)CCO MCULE-8298385594 [1,1,0,0,0,0|1,0,1]=4 3103 B6R0.5 C[Si](C)(C)CCO MCULE-3912098564 [1,1,0,0,0,0|0,1,1]=4 3104 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [1,1,0,0,0,0|2,0,0]=4 3105 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [1,1,0,0,0,0|2,0,0]=4 3106 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [1,1,0,0,0,0|2,0,0]=4 3107 B6R0.5 O=CCC(F)(F)F MCULE-3427694739 [1,1,0,0,0,0|2,0,0]=4 3108 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [1,1,0,0,0,0|2,0,0]=4 3109 B6R0.5 O=P(O)(O)CCCl MCULE-4131416773 [1,1,0,0,0,0|2,0,0]=4 3110 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [1,1,0,0,0,0|2,0,0]=4 3111 B6R0.5 O=S(=O)(O)CCBr MCULE-3291252302 [1,1,0,0,0,0|2,0,0]=4 3112 B6R0.5 O=S(=O)(O)CCCl MCULE-9043359543 [1,1,0,0,0,0|2,0,0]=4 3113 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [1,1,0,0,0,0|2,0,0]=4 3114 B6R0.5 O=S(=O)(O)CCS MCULE-1073050356 [1,1,0,0,0,0|2,0,0]=4 3115 B6R0.7 C=C(Br)C(C)(C)C MCULE-2463544596 [0,1,0,0,1,0|2,0,0]=4 3116 B6R0.7 C=C(C)C(C)(C)C MCULE-9196090881 [0,1,0,0,1,0|2,0,0]=4 3117 B6R0.7 CC(=O)C(C)(C)Br MCULE-2211649171 [0,1,0,0,1,0|1,0,0]=3 3118 B6R0.7 CC(=O)C(C)(C)C MCULE-9731323161 [0,1,0,0,1,0|1,0,0]=3 3119 B6R0.7 CC(=O)C(C)(C)Cl MCULE-3074145802 [0,1,0,0,1,0|1,0,0]=3 3120 B6R0.7 CC(=O)C(C)(C)N MCULE-8236547032 [0,1,0,0,1,0|1,0,0]=3 3121 B6R0.7 CC(=O)C(C)(C)N MCULE-9736681939 [0,1,0,0,1,0|1,0,0]=3 3122 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [0,1,0,0,1,0|1,0,0]=3 3123 B6R0.7 CC(=O)C(C)(F)F MCULE-7856452896 [0,1,0,0,1,0|2,0,0]=4 3124 B6R0.7 CC(=O)[Si](C)(C)C MCULE-2207276552 [0,1,0,0,1,0|1,1,0]=4 3125 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [0,1,0,0,1,0|1,0,0]=3 3126 B6R0.7 CC(C)(Br)C(=O)Br MCULE-3927664220 [0,1,0,0,1,0|1,0,0]=3 3127 B6R0.7 CC(C)(Br)C(=O)Cl MCULE-4186209269 [0,1,0,0,1,0|1,0,0]=3 3128 B6R0.7 CC(C)(Br)C(=O)N MCULE-9238574572 [0,1,0,0,1,0|1,0,0]=3 3129 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [0,1,0,0,1,0|0,0,0]=2 3130 B6R0.7 CC(C)(Br)N(=O)=O MCULE-3797855170 [0,1,0,0,1,0|1,0,1]=4 3131 B6R0.7 CC(C)(C)B(O)O MCULE-9781009287 [0,1,0,0,1,0|1,0,1]=4 3132 B6R0.7 CC(C)(C)C(=N)N MCULE-7680688413 [0,1,0,0,1,0|2,0,0]=4 3133 B6R0.7 CC(C)(C)C(=N)N MCULE-8879048174 [0,1,0,0,1,0|2,0,0]=4 3134 B6R0.7 CC(C)(C)C(=O)Cl MCULE-2528821101 [0,1,0,0,1,0|1,0,0]=3 3135 B6R0.7 CC(C)(C)C(=O)N MCULE-1267347906 [0,1,0,0,1,0|1,0,0]=3 3136 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [0,1,0,0,1,0|0,0,0]=2 3137 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-3836080044 [0,1,0,0,1,0|0,0,1]=3 3138 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-4231941340 [0,1,0,0,1,0|0,0,1]=3 3139 B6R0.7 CC(C)(C)C(=S)N MCULE-3063566984 [0,1,0,0,1,0|1,1,0]=4 3140 B6R0.7 CC(C)(C)N(=O)=O MCULE-5389027053 [0,1,0,0,1,0|1,0,1]=4 3141 B6R0.7 CC(C)(C)S(=O)Cl MCULE-2395244349 [0,1,0,0,1,0|2,0,0]=4 3142 B6R0.7 CC(C)(C)S(=O)N MCULE-4119217508 [0,1,0,0,1,0|2,0,0]=4 3143 B6R0.7 CC(C)(C)S(=O)N MCULE-8120769030 [0,1,0,0,1,0|2,0,0]=4 3144 B6R0.7 CC(C)(C)S(=O)O MCULE-4329334255 [0,1,0,0,1,0|1,0,0]=3 3145 B6R0.7 CC(C)(C)S(=O)[O-] MCULE-9734265000 [0,1,0,0,1,0|1,0,1]=4 3146 B6R0.7 CC(C)(C)[S@@](=O)N MCULE-7239306561 [0,1,0,0,1,0|2,0,0]=4 3147 B6R0.7 CC(C)(C)[S@@](=O)N MCULE-8191878313 [0,1,0,0,1,0|2,0,0]=4 3148 B6R0.7 CC(C)(C)[S@](=O)N MCULE-1205816977 [0,1,0,0,1,0|2,0,0]=4 3149 B6R0.7 CC(C)(C)[S@](=O)N MCULE-6974247624 [0,1,0,0,1,0|2,0,0]=4 3150 B6R0.7 CC(C)(Cl)C(=O)Cl MCULE-1923898716 [0,1,0,0,1,0|1,0,0]=3 3151 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [0,1,0,0,1,0|0,0,0]=2 3152 B6R0.7 CC(C)(Cl)N(=O)=O MCULE-9123451241 [0,1,0,0,1,0|1,0,1]=4 3153 B6R0.7 CC(C)(F)C(=O)Cl MCULE-5874577670 [0,1,0,0,1,0|1,0,0]=3 3154 B6R0.7 CC(C)(F)C(=O)N MCULE-7528431736 [0,1,0,0,1,0|1,0,0]=3 3155 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [0,1,0,0,1,0|0,0,0]=2 3156 B6R0.7 CC(C)(N)C(=N)N MCULE-2891169783 [0,1,0,0,1,0|2,0,0]=4 3157 B6R0.7 CC(C)(N)C(=O)Cl MCULE-1303488979 [0,1,0,0,1,0|1,0,0]=3 3158 B6R0.7 CC(C)(N)C(=O)N MCULE-4893991321 [0,1,0,0,1,0|1,0,0]=3 3159 B6R0.7 CC(C)(N)C(=O)N MCULE-7819904882 [0,1,0,0,1,0|1,0,0]=3 3160 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [0,1,0,0,1,0|0,0,0]=2 3161 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [0,1,0,0,1,0|0,0,0]=2 3162 B6R0.7 CC(C)(O)C(=N)N MCULE-4499579707 [0,1,0,0,1,0|2,0,0]=4 3163 B6R0.7 CC(C)(O)C(=N)N MCULE-5382519131 [0,1,0,0,1,0|2,0,0]=4 3164 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,1,0,0,1,0|1,0,0]=3 3165 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,1,0,0,1,0|0,0,0]=2 3166 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [0,1,0,0,1,0|0,0,0]=2 3167 B6R0.7 CC(C)C(C)(C)O MCULE-9552110431 [0,1,0,0,1,0|1,0,1]=4 3168 B6R0.7 CC(C)P(=O)(O)O MCULE-4572861400 [0,1,0,0,1,0|1,0,0]=3 3169 B6R0.7 CC(C)S(=N)(=O)C MCULE-6389709038 [0,1,0,0,1,0|2,0,0]=4 3170 B6R0.7 CC(C)S(=O)(=O)C MCULE-1630518669 [0,1,0,0,1,0|1,0,1]=4 3171 B6R0.7 CC(C)S(=O)(=O)Cl MCULE-9385900902 [0,1,0,0,1,0|1,0,1]=4 3172 B6R0.7 CC(C)S(=O)(=O)F MCULE-8621287493 [0,1,0,0,1,0|1,0,1]=4 3173 B6R0.7 CC(C)S(=O)(=O)N MCULE-7940692200 [0,1,0,0,1,0|1,0,1]=4 3174 B6R0.7 CC(C)S(=O)(=O)O MCULE-2568394676 [0,1,0,0,1,0|1,0,0]=3 3175 B6R0.7 CC(C)S(=O)(=O)[O-] MCULE-1225706200 [0,1,0,0,1,0|1,0,1]=4 3176 B6R0.7 CC(Cl)(Cl)C(=O)Cl MCULE-8935732005 [0,1,0,0,1,0|2,0,0]=4 3177 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [0,1,0,0,1,0|1,0,0]=3 3178 B6R0.7 CC(Cl)(Cl)C(=O)[O-] MCULE-7677513008 [0,1,0,0,1,0|1,0,1]=4 3179 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [0,1,0,0,1,0|1,0,0]=3 3180 B6R0.7 CC(F)(F)C(=O)N MCULE-2299323235 [0,1,0,0,1,0|2,0,0]=4 3181 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [0,1,0,0,1,0|1,0,0]=3 3182 B6R0.7 CC(F)(F)C(=O)[O-] MCULE-1039544757 [0,1,0,0,1,0|1,0,1]=4 3183 B6R0.7 CC(F)(F)C(=S)O MCULE-6682853344 [0,1,0,0,1,0|1,1,0]=4 3184 B6R0.7 CC(N)P(=O)(O)O MCULE-6335375089 [0,1,0,0,1,0|2,0,0]=4 3185 B6R0.7 CC(O)C(C)(C)C MCULE-7642386536 [0,1,0,0,1,0|1,0,1]=4 3186 B6R0.7 CC(O)C(C)(C)N MCULE-3194936121 [0,1,0,0,1,0|1,0,1]=4 3187 B6R0.7 CC(O)C(C)(C)N MCULE-6694352146 [0,1,0,0,1,0|1,0,1]=4 3188 B6R0.7 CC(O)C(C)(C)O MCULE-6808101269 [0,1,0,0,1,0|1,0,1]=4 3189 B6R0.7 CS(=O)C(C)(C)C MCULE-5479134400 [0,1,0,0,1,0|2,0,0]=4 3190 B6R0.7 C[C@@H](N)P(=O)(O)O MCULE-6555656905 [0,1,0,0,1,0|2,0,0]=4 3191 B6R0.7 C[C@@H](O)C(C)(C)C MCULE-7929838583 [0,1,0,0,1,0|1,0,1]=4 3192 B6R0.7 C[C@H](N)P(=O)(O)O MCULE-8139992515 [0,1,0,0,1,0|2,0,0]=4 3193 B6R0.7 C[C@H](O)C(C)(C)C MCULE-8207064949 [0,1,0,0,1,0|1,0,1]=4 3194 B6R0.7 C[C@H](O)C(C)(C)O MCULE-5048641902 [0,1,0,0,1,0|1,0,1]=4 3195 B6R0.7 O=C(O)C(Br)(Br)Br MCULE-4004191582 [0,1,0,0,1,0|2,0,0]=4 3196 B6R0.7 O=C(O)C(Cl)(Br)Br MCULE-9131760998 [0,1,0,0,1,0|2,0,0]=4 3197 B6R0.7 O=C(O)C(Cl)(Cl)Cl MCULE-1368734775 [0,1,0,0,1,0|2,0,0]=4 3198 B6R0.7 O=C(O)C(F)(Br)Br MCULE-7267386731 [0,1,0,0,1,0|2,0,0]=4 3199 B6R0.7 O=C(O)C(F)(Cl)Cl MCULE-2262288122 [0,1,0,0,1,0|2,0,0]=4 3200 B6R0.7 O=C(O)C(F)(F)Br MCULE-2634780711 [0,1,0,0,1,0|2,0,0]=4 3201 B6R0.7 O=C(O)C(F)(F)Cl MCULE-4915780097 [0,1,0,0,1,0|2,0,0]=4 3202 B6R0.7 O=C(O)C(F)(F)F MCULE-1123900266 [0,1,0,0,1,0|2,0,0]=4 3203 B6R0.7 O=C(O)C(F)(F)F MCULE-1306154157 [0,1,0,0,1,0|2,0,0]=4 3204 B6R0.7 O=C(O)C(F)(F)F MCULE-1561231965 [0,1,0,0,1,0|2,0,0]=4 3205 B6R0.7 O=C(O)C(F)(F)F MCULE-1816747517 [0,1,0,0,1,0|2,0,0]=4 3206 B6R0.7 O=C(O)C(F)(F)F MCULE-2319878190 [0,1,0,0,1,0|2,0,0]=4 3207 B6R0.7 O=C(O)C(F)(F)F MCULE-2350887018 [0,1,0,0,1,0|2,0,0]=4 3208 B6R0.7 O=C(O)C(F)(F)F MCULE-3649131132 [0,1,0,0,1,0|2,0,0]=4 3209 B6R0.7 O=C(O)C(F)(F)F MCULE-4102655453 [0,1,0,0,1,0|2,0,0]=4 3210 B6R0.7 O=C(O)C(F)(F)F MCULE-4310110442 [0,1,0,0,1,0|2,0,0]=4 3211 B6R0.7 O=C(O)C(F)(F)F MCULE-4552778330 [0,1,0,0,1,0|2,0,0]=4 3212 B6R0.7 O=C(O)C(F)(F)F MCULE-7120837354 [0,1,0,0,1,0|2,0,0]=4 3213 B6R0.7 O=C(O)C(F)(F)F MCULE-7149887430 [0,1,0,0,1,0|2,0,0]=4 3214 B6R0.7 O=C(O)C(F)(F)F MCULE-7852591452 [0,1,0,0,1,0|2,0,0]=4 3215 B6R0.7 O=C(O)C(F)(F)F MCULE-8109453485 [0,1,0,0,1,0|2,0,0]=4 3216 B6R0.7 O=C(O)C(F)(F)F MCULE-8676558809 [0,1,0,0,1,0|2,0,0]=4 3217 B6R0.7 O=C(O)C(F)(F)F MCULE-9277867041 [0,1,0,0,1,0|2,0,0]=4 3218 B6R0.7 O=C(O)C(F)(F)F MCULE-9449194409 [0,1,0,0,1,0|2,0,0]=4 3219 B6R0.7 O=C(O)C(F)(F)F MCULE-9734884974 [0,1,0,0,1,0|2,0,0]=4 3220 B6R0.7 O=C(O)C(F)(F)F MCULE-9976402631 [0,1,0,0,1,0|2,0,0]=4 3221 B6R0.7 O=C(O)C(F)(F)I MCULE-5082044093 [0,1,0,0,1,0|2,0,0]=4 3222 B8R0.9 C/C(=N\O)/CCC(C)C MCULE-6160318624 [0,1,0,0,0,1|1,0,0]=3 3223 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,1|0,0,2]=4 3224 B8R0.9 C=CC(=O)NCC(C)O MCULE-7092700588 [0,1,0,0,0,1|2,0,0]=4 3225 B8R0.9 C=CC(=O)OCC(C)C MCULE-9738172155 [0,1,0,0,0,1|1,0,0]=3 3226 B8R0.9 C=CC(=O)OCC(C)O MCULE-5600840983 [0,1,0,0,0,1|2,0,0]=4 3227 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,1,0,0,0,1|1,0,1]=4 3228 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,1,0,0,0,1|1,0,1]=4 3229 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,1,0,0,0,1|1,0,1]=4 3230 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,1,0,0,0,1|1,0,1]=4 3231 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,1,0,0,0,1|1,0,1]=4 3232 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,1|1,0,1]=4 3233 B8R0.9 CC(=NO)CCC(C)C MCULE-1275882348 [0,1,0,0,0,1|1,0,0]=3 3234 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,1,0,0,0,1|1,0,0]=3 3235 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [0,1,0,0,0,1|2,0,0]=4 3236 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [0,1,0,0,0,1|2,0,0]=4 3237 B8R0.9 CC(=O)OCC(C)CBr MCULE-5776578434 [0,1,0,0,0,1|1,0,0]=3 3238 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,1,0,0,0,1|2,0,0]=4 3239 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,1,0,0,0,1|2,0,0]=4 3240 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [0,1,0,0,0,1|2,0,0]=4 3241 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [0,1,0,0,0,1|2,0,0]=4 3242 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,1,0,0,0,1|1,0,0]=3 3243 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,1,0,0,0,1|1,0,0]=3 3244 B8R0.9 CC(=O)SCC(C)CCl MCULE-2266172098 [0,1,0,0,0,1|1,0,0]=3 3245 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,1,0,0,0,1|0,0,1]=3 3246 B8R0.9 CC(C)CC/C(=N/O)/N MCULE-5971141379 [0,1,0,0,0,1|1,0,0]=3 3247 B8R0.9 CC(C)CCC(=O)CCl MCULE-7122163926 [0,1,0,0,0,1|1,0,0]=3 3248 B8R0.9 CC(C)CCC(=O)CN MCULE-2601333978 [0,1,0,0,0,1|1,0,0]=3 3249 B8R0.9 CC(C)CCC(=O)CN MCULE-9600279855 [0,1,0,0,0,1|1,0,0]=3 3250 B8R0.9 CC(C)CCC(C)CO MCULE-8698383870 [0,1,0,0,0,1|1,0,1]=4 3251 B8R0.9 CC(C)CCC(N)CO MCULE-1841093348 [0,1,0,0,0,1|1,0,1]=4 3252 B8R0.9 CC(C)CCC(N)CO MCULE-6322500554 [0,1,0,0,0,1|1,0,1]=4 3253 B8R0.9 CC(C)CNC(=O)CBr MCULE-8912739616 [0,1,0,0,0,1|1,0,0]=3 3254 B8R0.9 CC(C)CNC(=O)CCl MCULE-6480983342 [0,1,0,0,0,1|1,0,0]=3 3255 B8R0.9 CC(C)CNC(=O)CN MCULE-3593523223 [0,1,0,0,0,1|1,0,0]=3 3256 B8R0.9 CC(C)CNC(=O)CN MCULE-9338504001 [0,1,0,0,0,1|1,0,0]=3 3257 B8R0.9 CC(C)COC(=O)CBr MCULE-3596274514 [0,1,0,0,0,1|1,0,0]=3 3258 B8R0.9 CC(C)COC(=O)CCl MCULE-8531893041 [0,1,0,0,0,1|1,0,0]=3 3259 B8R0.9 CC(C)COC(=O)CS MCULE-6380142851 [0,1,0,0,0,1|0,1,0]=3 3260 B8R0.9 CC(C)COC(C)CO MCULE-5746553586 [0,1,0,0,0,1|1,0,1]=4 3261 B8R0.9 CC(C)NCC(O)CO MCULE-6111772035 [0,1,0,0,0,1|0,0,2]=4 3262 B8R0.9 CC(C)NC[C@@H](O)CO MCULE-2239468159 [0,1,0,0,0,1|0,0,2]=4 3263 B8R0.9 CC(C)NC[C@@H](O)CO MCULE-7993975282 [0,1,0,0,0,1|0,0,2]=4 3264 B8R0.9 CC(C)NC[C@H](O)CO MCULE-3918662429 [0,1,0,0,0,1|0,0,2]=4 3265 B8R0.9 CC(C)NC[C@H](O)CO MCULE-5916462695 [0,1,0,0,0,1|0,0,2]=4 3266 B8R0.9 CC(C)OC/C(=N/O)/N MCULE-2973132767 [0,1,0,0,0,1|1,0,0]=3 3267 B8R0.9 CC(C)OC=C(Br)C=O MCULE-2335632403 [0,1,0,0,0,1|1,0,1]=4 3268 B8R0.9 CC(C)OCC(=O)NN MCULE-1756553014 [0,1,0,0,0,1|1,0,0]=3 3269 B8R0.9 CC(C)OCC(=O)NN MCULE-4596563241 [0,1,0,0,0,1|1,0,0]=3 3270 B8R0.9 CC(C)OCC(O)CCl MCULE-4441637540 [0,1,0,0,0,1|1,0,1]=4 3271 B8R0.9 CC(C)OCC(O)CI MCULE-7852993488 [0,1,0,0,0,1|1,0,1]=4 3272 B8R0.9 CC(C)OCC(O)CN MCULE-4268894257 [0,1,0,0,0,1|1,0,1]=4 3273 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,1,0,0,0,1|1,0,0]=3 3274 B8R0.9 CC(Cl)CNC(=O)CCl MCULE-1131103741 [0,1,0,0,0,1|2,0,0]=4 3275 B8R0.9 CC(O)CCC(=O)NN MCULE-3743680204 [0,1,0,0,0,1|2,0,0]=4 3276 B8R0.9 CC(O)CNC(C)CO MCULE-6157391749 [0,1,0,0,0,1|1,0,1]=4 3277 B8R0.9 CC(O)COC(C)CO MCULE-7544702364 [0,1,0,0,0,1|1,0,1]=4 3278 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,1,0,0,0,1|0,0,2]=4 3279 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,1|0,0,1]=3 3280 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,1|1,0,1]=4 3281 B8R0.9 CCC(=O)CCC(C)C MCULE-3065298823 [0,1,0,0,0,1|1,0,0]=3 3282 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,1|1,0,1]=4 3283 B8R0.9 CCC(=O)NCC(C)C MCULE-3079187120 [0,1,0,0,0,1|1,0,0]=3 3284 B8R0.9 CCC(=O)OCC(C)Br MCULE-7344958033 [0,1,0,0,0,1|2,0,0]=4 3285 B8R0.9 CCC(=O)OCC(C)C MCULE-4196106578 [0,1,0,0,0,1|1,0,0]=3 3286 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,1,0,0,0,1|1,0,0]=3 3287 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,0,0,0,1|0,0,0]=2 3288 B8R0.9 CCC(C)CCC(C)O MCULE-4781356880 [0,1,0,0,0,1|1,0,1]=4 3289 B8R0.9 CCC(C)COC(=O)C MCULE-1846190306 [0,1,0,0,0,1|1,0,0]=3 3290 B8R0.9 CCC(C)COC(=O)Cl MCULE-7986633908 [0,1,0,0,0,1|1,0,0]=3 3291 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,1,0,0,0,1|0,0,0]=2 3292 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,1,0,0,0,1|0,0,0]=2 3293 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,1,0,0,0,1|0,0,0]=2 3294 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,1,0,0,0,1|2,0,0]=4 3295 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,1|1,0,0]=3 3296 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,1|1,0,0]=3 3297 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,1|1,0,0]=3 3298 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,1,0,0,0,1|1,0,1]=4 3299 B8R0.9 CCC(O)CCC(C)C MCULE-6499043854 [0,1,0,0,0,1|1,0,1]=4 3300 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,1,0,0,0,1|1,0,0]=3 3301 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,1,0,0,0,1|1,0,0]=3 3302 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,1|2,0,0]=4 3303 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,1,0,0,0,1|1,0,1]=4 3304 B8R0.9 CN(C)CCC(=N)NO MCULE-1944835368 [0,1,0,0,0,1|2,0,0]=4 3305 B8R0.9 CN(C)CCC(=O)NN MCULE-5716266931 [0,1,0,0,0,1|2,0,0]=4 3306 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,1|1,0,1]=4 3307 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,1|1,0,1]=4 3308 B8R0.9 COC(=O)/C=C/C(C)C MCULE-3160224452 [0,1,0,0,0,1|0,0,1]=3 3309 B8R0.9 COC(=O)/C=C/N(C)C MCULE-2402483726 [0,1,0,0,0,1|1,0,1]=4 3310 B8R0.9 COC(=O)/N=C/N(C)C MCULE-3421193223 [0,1,0,0,0,1|1,0,1]=4 3311 B8R0.9 COC(=O)C=CC(C)C MCULE-8333658639 [0,1,0,0,0,1|0,0,1]=3 3312 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,1|1,0,1]=4 3313 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,1|1,0,1]=4 3314 B8R0.9 COC(=O)CCC(F)F MCULE-4602374642 [0,1,0,0,0,1|2,0,0]=4 3315 B8R0.9 COC(=O)CCN(C)C MCULE-5967397518 [0,1,0,0,0,1|1,0,0]=3 3316 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,1|1,0,1]=4 3317 B8R0.9 COC(=O)CNC(C)C MCULE-7232154394 [0,1,0,0,0,1|0,0,0]=2 3318 B8R0.9 COC(=O)COC(C)C MCULE-8327092817 [0,1,0,0,0,1|0,0,0]=2 3319 B8R0.9 COC(=O)COC(Cl)Cl MCULE-8466265912 [0,1,0,0,0,1|2,0,0]=4 3320 B8R0.9 COC(=O)CSC(C)C MCULE-9054714022 [0,1,0,0,0,1|0,0,0]=2 3321 B8R0.9 COC(=O)N=CN(C)C MCULE-5824976694 [0,1,0,0,0,1|1,0,1]=4 3322 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,1|1,0,1]=4 3323 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,1|1,0,1]=4 3324 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,1,0,0,0,1|1,0,0]=3 3325 B8R0.9 COC(=O)OCC(F)F MCULE-9403543035 [0,1,0,0,0,1|2,0,0]=4 3326 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,1|0,0,0]=2 3327 B8R0.9 COC(C)CNC(C)C MCULE-3693477371 [0,1,0,0,0,1|1,0,1]=4 3328 B8R0.9 COC(C)COC(=O)C MCULE-7948047479 [0,1,0,0,0,1|1,0,0]=3 3329 B8R0.9 COC(C)OCC(C)C MCULE-2144427762 [0,1,0,0,0,1|1,0,1]=4 3330 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,1,0,0,0,1|0,0,0]=2 3331 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-1706050650 [0,1,0,0,0,1|1,0,1]=4 3332 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-8419848254 [0,1,0,0,0,1|1,0,1]=4 3333 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,1|1,0,1]=4 3334 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,1|1,0,1]=4 3335 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,1|1,0,1]=4 3336 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,1|1,0,1]=4 3337 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,1|1,0,1]=4 3338 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,1|1,0,0]=3 3339 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,1|1,0,0]=3 3340 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,1|1,0,0]=3 3341 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,1|1,0,0]=3 3342 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,1|1,0,0]=3 3343 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,1|1,0,1]=4 3344 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,1|2,0,0]=4 3345 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,1|1,0,1]=4 3346 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,1|1,0,1]=4 3347 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,1,0,0,0,1|0,0,0]=2 3348 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,1|2,0,0]=4 3349 B8R0.23 C/C(=C\C(C)C)/C(=O)O MCULE-7989780609 [0,1,0,0,0,1|0,0,1]=3 3350 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,1|0,0,2]=4 3351 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,1|0,0,2]=4 3352 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,1|0,0,2]=4 3353 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,1|0,0,2]=4 3354 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,1|0,0,2]=4 3355 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,1|0,0,2]=4 3356 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,1|0,0,2]=4 3357 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,1|0,0,2]=4 3358 B8R0.23 C=C(CC(C)C)C(=O)C MCULE-3118173847 [0,1,0,0,0,1|1,0,0]=3 3359 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [0,1,0,0,0,1|0,0,0]=2 3360 B8R0.23 C=C(CN(C)C)C(=O)O MCULE-9526642183 [0,1,0,0,0,1|1,0,0]=3 3361 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [0,1,0,0,0,1|0,0,1]=3 3362 B8R0.23 CC(=O)C(=O)CC(C)C MCULE-9490612135 [0,1,0,0,0,1|1,0,0]=3 3363 B8R0.23 CC(=O)C(=O)OC(C)C MCULE-5022020155 [0,1,0,0,0,1|1,0,1]=4 3364 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,1|1,0,1]=4 3365 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [0,1,0,0,0,1|1,0,0]=3 3366 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,1|1,0,1]=4 3367 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [0,1,0,0,0,1|1,0,0]=3 3368 B8R0.23 CC(=O)CC(=O)C(C)C MCULE-9885161576 [0,1,0,0,0,1|1,0,0]=3 3369 B8R0.23 CC(=O)CC(=O)N(C)C MCULE-7573334456 [0,1,0,0,0,1|2,0,0]=4 3370 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,1|1,0,1]=4 3371 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,1|1,0,1]=4 3372 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,1|1,0,1]=4 3373 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,1|1,0,1]=4 3374 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [0,1,0,0,0,1|2,0,0]=4 3375 B8R0.23 CC(=O)CN(C)C(C)C MCULE-2905536744 [0,1,0,0,0,1|1,0,0]=3 3376 B8R0.23 CC(=O)CN(C)C(C)C MCULE-7902012708 [0,1,0,0,0,1|1,0,0]=3 3377 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,1|1,0,1]=4 3378 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,1|1,0,1]=4 3379 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,1|1,0,1]=4 3380 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,1|1,0,1]=4 3381 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,1|1,0,1]=4 3382 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,1|1,0,1]=4 3383 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,1|1,0,1]=4 3384 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,1|1,0,1]=4 3385 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,1|1,0,1]=4 3386 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,1|1,0,1]=4 3387 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,1|1,0,1]=4 3388 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,1|1,0,1]=4 3389 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,1|1,0,1]=4 3390 B8R0.23 CC(C)C(=CC(=O)N)N MCULE-8136000309 [0,1,0,0,0,1|1,0,1]=4 3391 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,1,0,0,0,1|0,0,0]=2 3392 B8R0.23 CC(C)C(=O)CC(=O)[O-] MCULE-3398588107 [0,1,0,0,0,1|0,0,1]=3 3393 B8R0.23 CC(C)C(=O)CN(=O)=O MCULE-4209922031 [0,1,0,0,0,1|1,0,1]=4 3394 B8R0.23 CC(C)C(=O)NC(=O)N MCULE-6394527783 [0,1,0,0,0,1|1,0,1]=4 3395 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,1,0,0,0,1|0,0,0]=2 3396 B8R0.23 CC(C)C(Cl)OC(=O)Cl MCULE-5733683700 [0,1,0,0,0,1|1,0,0]=3 3397 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,1|0,0,0]=2 3398 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,1|0,0,0]=2 3399 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,1|0,0,0]=2 3400 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,1|0,0,0]=2 3401 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,1|0,0,0]=2 3402 B8R0.23 CC(C)C(O)CN(=O)=O MCULE-7181992102 [0,1,0,0,0,1|1,0,1]=4 3403 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,1,0,0,0,1|0,0,0]=2 3404 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-1379368650 [0,1,0,0,0,1|0,0,1]=3 3405 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-8698784345 [0,1,0,0,0,1|0,0,1]=3 3406 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,1,0,0,0,1|0,0,0]=2 3407 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,1,0,0,0,1|0,0,0]=2 3408 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,1,0,0,0,1|0,0,0]=2 3409 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,1,0,0,0,1|0,0,0]=2 3410 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,1,0,0,0,1|0,0,0]=2 3411 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [0,1,0,0,0,1|1,0,0]=3 3412 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [0,1,0,0,0,1|1,0,0]=3 3413 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,1,0,0,0,1|0,0,0]=2 3414 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,1,0,0,0,1|0,0,0]=2 3415 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,1,0,0,0,1|0,0,0]=2 3416 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,1,0,0,0,1|0,0,0]=2 3417 B8R0.23 CC(C)CN(C)C(=O)Cl MCULE-8402254804 [0,1,0,0,0,1|1,0,0]=3 3418 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,1,0,0,0,1|0,0,0]=2 3419 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,1,0,0,0,1|0,0,0]=2 3420 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [0,1,0,0,0,1|1,0,0]=3 3421 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,1,0,0,0,1|0,0,0]=2 3422 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,1,0,0,0,1|0,0,0]=2 3423 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,1,0,0,0,1|0,0,0]=2 3424 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,1,0,0,0,1|0,0,0]=2 3425 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,1,0,0,0,1|0,0,0]=2 3426 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,1,0,0,0,1|0,0,0]=2 3427 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,1,0,0,0,1|0,0,0]=2 3428 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,1,0,0,0,1|0,0,0]=2 3429 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [0,1,0,0,0,1|1,0,0]=3 3430 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [0,1,0,0,0,1|1,0,0]=3 3431 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [0,1,0,0,0,1|1,0,0]=3 3432 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [0,1,0,0,0,1|1,0,0]=3 3433 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,1,0,0,0,1|0,0,0]=2 3434 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,1,0,0,0,1|0,0,0]=2 3435 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,1,0,0,0,1|0,0,0]=2 3436 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,1,0,0,0,1|0,0,0]=2 3437 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,1,0,0,0,1|0,0,0]=2 3438 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,1,0,0,0,1|0,0,0]=2 3439 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,1,0,0,0,1|0,0,0]=2 3440 B8R0.23 CC(C)NC(=O)C(=O)O MCULE-3351257571 [0,1,0,0,0,1|0,0,1]=3 3441 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,1,0,0,0,1|0,0,0]=2 3442 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,1,0,0,0,1|0,0,0]=2 3443 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,1,0,0,0,1|0,0,0]=2 3444 B8R0.23 CC(C)OC(C)C(=O)[O-] MCULE-2169564496 [0,1,0,0,0,1|0,0,1]=3 3445 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,1,0,0,0,1|0,0,0]=2 3446 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,1|0,0,0]=2 3447 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,1|0,0,0]=2 3448 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,1|0,0,0]=2 3449 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,1|0,0,0]=2 3450 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,1|0,0,0]=2 3451 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,1|0,0,0]=2 3452 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,1|0,0,0]=2 3453 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,1|0,0,0]=2 3454 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,1|0,0,0]=2 3455 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [0,1,0,0,0,1|2,0,0]=4 3456 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,1,0,0,0,1|1,0,0]=3 3457 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,1,0,0,0,1|1,0,0]=3 3458 B8R0.23 CC(CC(F)F)C(=O)O MCULE-2211206695 [0,1,0,0,0,1|2,0,0]=4 3459 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,1,0,0,0,1|1,0,0]=3 3460 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,1,0,0,0,1|1,0,0]=3 3461 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,1|2,0,0]=4 3462 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,1|1,0,0]=3 3463 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,1|1,0,0]=3 3464 B8R0.23 CC(O)CC(O)C(C)C MCULE-5906290473 [0,1,0,0,0,1|1,0,1]=4 3465 B8R0.23 CN(C)C(=O)CC(=O)N MCULE-1957054841 [0,1,0,0,0,1|2,0,0]=4 3466 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,1,0,0,0,1|1,0,0]=3 3467 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,1,0,0,0,1|1,0,0]=3 3468 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,1,0,0,0,1|1,0,0]=3 3469 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,1,0,0,0,1|1,0,0]=3 3470 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,1,0,0,0,1|1,0,0]=3 3471 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,1,0,0,0,1|1,0,0]=3 3472 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,1,0,0,0,1|1,0,0]=3 3473 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,1,0,0,0,1|1,0,0]=3 3474 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,1,0,0,0,1|1,0,0]=3 3475 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,1,0,0,0,1|1,0,0]=3 3476 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,1|2,0,0]=4 3477 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,1|2,0,0]=4 3478 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,1|2,0,0]=4 3479 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,1,0,0,0,1|1,0,0]=3 3480 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,1|1,0,0]=3 3481 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,1|1,0,0]=3 3482 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,1|1,0,0]=3 3483 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,1|1,0,0]=3 3484 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,1|1,0,0]=3 3485 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,1|1,0,0]=3 3486 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,1,0,0,0,1|1,0,0]=3 3487 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,1,0,0,0,1|1,0,0]=3 3488 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,1,0,0,0,1|1,0,0]=3 3489 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,1|1,0,0]=3 3490 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,1|2,0,0]=4 3491 B8R0.23 NC(CC(F)F)C(=O)O MCULE-1880803967 [0,1,0,0,0,1|2,0,0]=4 3492 B8R0.23 NC(CC(F)F)C(=O)O MCULE-7276277891 [0,1,0,0,0,1|2,0,0]=4 3493 B8R0.23 N[C@@H](CC(Cl)Cl)C(=O)O MCULE-9426370618 [0,1,0,0,0,1|2,0,0]=4 3494 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3232895455 [0,1,0,0,0,1|2,0,0]=4 3495 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-3771092799 [0,1,0,0,0,1|2,0,0]=4 3496 B8R0.23 N[C@@H](CC(F)F)C(=O)O MCULE-5990452255 [0,1,0,0,0,1|2,0,0]=4 3497 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-2615133633 [0,1,0,0,0,1|2,0,0]=4 3498 B8R0.23 N[C@H](CC(F)F)C(=O)O MCULE-4923641891 [0,1,0,0,0,1|2,0,0]=4 3499 B8R0.23 O=C(O)CC(=O)C(F)F MCULE-6579310267 [0,1,0,0,0,1|2,0,0]=4 3500 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [0,1,0,0,0,1|1,0,0]=3 3501 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [0,1,0,0,0,1|1,0,0]=3 3502 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [0,1,0,0,0,1|1,0,0]=3 3503 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,1|2,0,0]=4 3504 B8R0.29 CC(=CCC(C)(C)C)C MCULE-8778760588 [0,1,0,0,0,1|2,0,0]=4 3505 B8R0.29 CC(=O)CCC(C)(C)C MCULE-2192082949 [0,1,0,0,0,1|1,0,0]=3 3506 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [0,1,0,0,0,1|1,0,0]=3 3507 B8R0.29 CC(=O)CNC(C)(C)C MCULE-4059953007 [0,1,0,0,0,1|1,0,0]=3 3508 B8R0.29 CC(=O)CNC(C)(C)C MCULE-9982398249 [0,1,0,0,0,1|1,0,0]=3 3509 B8R0.29 CC(=O)COC(C)(C)C MCULE-1842651618 [0,1,0,0,0,1|1,0,0]=3 3510 B8R0.29 CC(=O)CSC(C)(C)C MCULE-8055514434 [0,1,0,0,0,1|1,0,0]=3 3511 B8R0.29 CC(=O)OC[Si](C)(C)C MCULE-2980282217 [0,1,0,0,0,1|1,1,0]=4 3512 B8R0.29 CC(=O)ONC(C)(C)C MCULE-1992189414 [0,1,0,0,0,1|2,0,0]=4 3513 B8R0.29 CC(=O)ONC(C)(C)C MCULE-5238660928 [0,1,0,0,0,1|2,0,0]=4 3514 B8R0.29 CC(C)(C)/C=C/C(=O)O MCULE-8309589516 [0,1,0,0,0,1|0,0,1]=3 3515 B8R0.29 CC(C)(C)C#CC(=O)O MCULE-1871829267 [0,1,0,0,0,1|0,0,1]=3 3516 B8R0.29 CC(C)(C)C=CC(=O)O MCULE-1811374550 [0,1,0,0,0,1|0,0,1]=3 3517 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [0,1,0,0,0,1|0,0,0]=2 3518 B8R0.29 CC(C)(C)CCN(=O)=O MCULE-3755410630 [0,1,0,0,0,1|1,0,1]=4 3519 B8R0.29 CC(C)(C)CNC(=O)N MCULE-1062244536 [0,1,0,0,0,1|1,0,0]=3 3520 B8R0.29 CC(C)(C)COC(=O)Cl MCULE-8215596189 [0,1,0,0,0,1|1,0,0]=3 3521 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-4182814399 [0,1,0,0,0,1|1,0,0]=3 3522 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-5526530619 [0,1,0,0,0,1|1,0,0]=3 3523 B8R0.29 CC(C)(C)NCC(=O)N MCULE-8082980934 [0,1,0,0,0,1|1,0,0]=3 3524 B8R0.29 CC(C)(C)NCC(=O)O MCULE-1149308055 [0,1,0,0,0,1|0,0,0]=2 3525 B8R0.29 CC(C)(C)NCC(=O)O MCULE-9781967875 [0,1,0,0,0,1|0,0,0]=2 3526 B8R0.29 CC(C)(C)NCC(=O)[O-] MCULE-2801469302 [0,1,0,0,0,1|0,0,1]=3 3527 B8R0.29 CC(C)(C)NNC(=O)N MCULE-9104180996 [0,1,0,0,0,1|2,0,0]=4 3528 B8R0.29 CC(C)(C)OCC(=O)N MCULE-8627839273 [0,1,0,0,0,1|1,0,0]=3 3529 B8R0.29 CC(C)(C)OCC(=O)O MCULE-9634856231 [0,1,0,0,0,1|0,0,0]=2 3530 B8R0.29 CC(C)(C)OCC(=S)N MCULE-5043826351 [0,1,0,0,0,1|1,1,0]=4 3531 B8R0.29 CC(C)(C)SCC(=O)O MCULE-3761706328 [0,1,0,0,0,1|0,0,0]=2 3532 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,1,0,0,0,1|0,0,0]=2 3533 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,1,0,0,0,1|0,0,0]=2 3534 B8R0.29 CC(C)(N)CNC(=O)N MCULE-6198119290 [0,1,0,0,0,1|1,0,0]=3 3535 B8R0.29 CC(C)(N)CNC(=O)N MCULE-9211662894 [0,1,0,0,0,1|1,0,0]=3 3536 B8R0.29 CC(C)(O)C#CC(=O)O MCULE-8575212028 [0,1,0,0,0,1|0,0,1]=3 3537 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-1599861039 [0,1,0,0,0,1|0,0,1]=3 3538 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-4576125997 [0,1,0,0,0,1|0,0,1]=3 3539 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-9770985354 [0,1,0,0,0,1|0,0,1]=3 3540 B8R0.29 CC(C)(O)CCN(=O)=O MCULE-3639598270 [0,1,0,0,0,1|1,0,1]=4 3541 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [0,1,0,0,0,1|0,0,0]=2 3542 B8R0.29 CC(C)CCC(C)(C)O MCULE-2815520608 [0,1,0,0,0,1|1,0,1]=4 3543 B8R0.29 CC(C)CCS(=O)(=O)Cl MCULE-4626197043 [0,1,0,0,0,1|1,0,1]=4 3544 B8R0.29 CC(C)CCS(=O)(=O)N MCULE-1319888621 [0,1,0,0,0,1|1,0,1]=4 3545 B8R0.29 CC(C)CNS(=O)(=O)C MCULE-5073468949 [0,1,0,0,0,1|1,0,1]=4 3546 B8R0.29 CC(C)CNS(=O)(=O)Cl MCULE-2545924580 [0,1,0,0,0,1|1,0,1]=4 3547 B8R0.29 CC(C)COS(=O)(=O)C MCULE-9403792571 [0,1,0,0,0,1|1,0,1]=4 3548 B8R0.29 CC(C)NCC(C)(C)O MCULE-2183943029 [0,1,0,0,0,1|1,0,1]=4 3549 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [0,1,0,0,0,1|1,0,0]=3 3550 B8R0.29 CC(F)(F)COC(=O)Cl MCULE-7630962366 [0,1,0,0,0,1|2,0,0]=4 3551 B8R0.29 CC(N)COS(=O)(=O)O MCULE-2792477868 [0,1,0,0,0,1|2,0,0]=4 3552 B8R0.29 CC(O)COC(C)(C)C MCULE-1266093393 [0,1,0,0,0,1|1,0,1]=4 3553 B8R0.29 CN(C)CCS(=O)(=O)O MCULE-2605112532 [0,1,0,0,0,1|2,0,0]=4 3554 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,0,1|1,0,0]=3 3555 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,1|2,0,0]=4 3556 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [0,1,0,0,0,1|1,0,0]=3 3557 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,1,0,0,0,1|1,0,0]=3 3558 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,0,1|2,0,0]=4 3559 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,1,0,0,0,1|2,0,0]=4 3560 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,1,0,0,0,1|2,0,0]=4 3561 B8R0.29 C[C@@H](O)COC(C)(C)C MCULE-4985771313 [0,1,0,0,0,1|1,0,1]=4 3562 B8R0.29 C[Si](C)(C)C#CC(=O)O MCULE-2165767664 [0,1,0,0,0,1|0,1,1]=4 3563 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [0,1,0,0,0,1|0,1,0]=3 3564 B8R0.29 C[Si](C)(C)CCC(=O)[O-] MCULE-2888786921 [0,1,0,0,0,1|0,1,1]=4 3565 B8R0.29 O=C(O)CCC(Cl)(Cl)Cl MCULE-2127623168 [0,1,0,0,0,1|2,0,0]=4 3566 B8R0.29 O=C(O)CCC(F)(F)F MCULE-9968667608 [0,1,0,0,0,1|2,0,0]=4 3567 B8R0.29 O=C(O)COC(F)(F)F MCULE-9575310262 [0,1,0,0,0,1|2,0,0]=4 3568 B8R0.29 O=C(O)CSC(F)(F)F MCULE-8363296787 [0,1,0,0,0,1|2,0,0]=4 3569 B8R0.29 [C@H](C)(O)COC(C)(C)C MCULE-6966087832 [0,1,0,0,0,1|1,0,1]=4 3570 B8R0.2 C=C(C(=O)OC)C(C)C MCULE-2572436258 [0,2,0,0,0,0|0,0,1]=3 3571 B8R0.2 C=C(C(=O)OC)C(C)O MCULE-5811418696 [0,2,0,0,0,0|1,0,1]=4 3572 B8R0.2 C=C(C)C(Cl)C(=O)OC MCULE-1665283862 [0,2,0,0,0,0|0,0,2]=4 3573 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,2,0,0,0,0|0,0,1]=3 3574 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [0,2,0,0,0,0|2,0,0]=4 3575 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [0,2,0,0,0,0|2,0,0]=4 3576 B8R0.2 CC(C)C(N)C(=O)NN MCULE-8012264701 [0,2,0,0,0,0|1,0,0]=3 3577 B8R0.2 CC(C)C(N)C(=O)NN MCULE-8846048643 [0,2,0,0,0,0|1,0,0]=3 3578 B8R0.2 CC(C)C(N)C(=O)NO MCULE-1312472877 [0,2,0,0,0,0|0,0,0]=2 3579 B8R0.2 CC(C)C(N)C(=O)NO MCULE-1522587562 [0,2,0,0,0,0|0,0,0]=2 3580 B8R0.2 CC(C)C(O)/C(=N\O)/N MCULE-1823794660 [0,2,0,0,0,0|1,0,0]=3 3581 B8R0.2 CC(C)N(C)C(=O)CCl MCULE-9878702576 [0,2,0,0,0,0|2,0,0]=4 3582 B8R0.2 CC(C)[C@H](N)C(=O)CCl MCULE-2056415429 [0,2,0,0,0,0|1,0,0]=3 3583 B8R0.2 CC(C)[C@H](N)C(=O)CCl MCULE-2548722350 [0,2,0,0,0,0|1,0,0]=3 3584 B8R0.2 CC(C)[C@H](N)C(=O)CCl MCULE-4998965736 [0,2,0,0,0,0|1,0,0]=3 3585 B8R0.2 CC(C)[C@H](N)C(=O)CCl MCULE-8283580118 [0,2,0,0,0,0|1,0,0]=3 3586 B8R0.2 CC(O)C(O)C(O)C=O MCULE-2576273900 [0,2,0,0,0,0|1,0,1]=4 3587 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,2,0,0,0,0|1,0,1]=4 3588 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,2,0,0,0,0|0,0,1]=3 3589 B8R0.2 CCC(C)C(=O)C(=O)[O-] MCULE-9099284149 [0,2,0,0,0,0|0,0,2]=4 3590 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,2,0,0,0,0|0,0,0]=2 3591 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [0,2,0,0,0,0|1,0,0]=3 3592 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,2,0,0,0,0|0,0,0]=2 3593 B8R0.2 CCC(C)C(C)C(C)O MCULE-2099710154 [0,2,0,0,0,0|1,0,1]=4 3594 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [0,2,0,0,0,0|1,0,0]=3 3595 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [0,2,0,0,0,0|1,0,0]=3 3596 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,2,0,0,0,0|0,0,0]=2 3597 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [0,2,0,0,0,0|1,0,0]=3 3598 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,2,0,0,0,0|0,0,0]=2 3599 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,2,0,0,0,0|1,0,0]=3 3600 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,2,0,0,0,0|1,0,0]=3 3601 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,2,0,0,0,0|1,0,0]=3 3602 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,2,0,0,0,0|1,0,0]=3 3603 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,2,0,0,0,0|1,0,0]=3 3604 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,2,0,0,0,0|0,0,0]=2 3605 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,2,0,0,0,0|0,0,0]=2 3606 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,2,0,0,0,0|0,0,0]=2 3607 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,2,0,0,0,0|0,0,0]=2 3608 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,2,0,0,0,0|0,0,0]=2 3609 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,2,0,0,0,0|1,0,0]=3 3610 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,2,0,0,0,0|1,0,0]=3 3611 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,2,0,0,0,0|1,0,0]=3 3612 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,2,0,0,0,0|1,0,0]=3 3613 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,2,0,0,0,0|0,0,0]=2 3614 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,2,0,0,0,0|0,0,0]=2 3615 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,2,0,0,0,0|0,0,0]=2 3616 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,2,0,0,0,0|0,0,0]=2 3617 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,2,0,0,0,0|0,0,0]=2 3618 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,2,0,0,0,0|0,0,0]=2 3619 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [0,2,0,0,0,0|1,0,0]=3 3620 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [0,2,0,0,0,0|1,0,0]=3 3621 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,2,0,0,0,0|0,0,0]=2 3622 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,2,0,0,0,0|0,0,0]=2 3623 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,2,0,0,0,0|0,0,0]=2 3624 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,2,0,0,0,0|0,0,0]=2 3625 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,2,0,0,0,0|0,0,0]=2 3626 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,2,0,0,0,0|1,0,0]=3 3627 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,2,0,0,0,0|1,0,0]=3 3628 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,2,0,0,0,0|1,0,0]=3 3629 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,2,0,0,0,0|1,0,0]=3 3630 B8R0.2 CNC(=O)C(N)C(C)C MCULE-5039980272 [0,2,0,0,0,0|1,0,0]=3 3631 B8R0.2 CNC(=O)C(N)C(C)C MCULE-6250670183 [0,2,0,0,0,0|1,0,0]=3 3632 B8R0.2 CNC(=O)C(N)C(C)O MCULE-1025476590 [0,2,0,0,0,0|2,0,0]=4 3633 B8R0.2 CNC(=O)C(N)C(C)O MCULE-6101866105 [0,2,0,0,0,0|2,0,0]=4 3634 B8R0.2 CNC(=O)[C@@H](N)C(C)C MCULE-2019787073 [0,2,0,0,0,0|1,0,0]=3 3635 B8R0.2 CNC(=O)[C@@H](N)C(C)C MCULE-4411063508 [0,2,0,0,0,0|1,0,0]=3 3636 B8R0.2 CNC(=O)[C@@H](N)C(C)C MCULE-4541405149 [0,2,0,0,0,0|1,0,0]=3 3637 B8R0.2 CNC(=O)[C@@H](N)C(C)C MCULE-6209151629 [0,2,0,0,0,0|1,0,0]=3 3638 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-1326924990 [0,2,0,0,0,0|2,0,0]=4 3639 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-5094760218 [0,2,0,0,0,0|2,0,0]=4 3640 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-9454209271 [0,2,0,0,0,0|2,0,0]=4 3641 B8R0.2 CNC(=O)[C@@H](N)[C@@H](C)O MCULE-9558878758 [0,2,0,0,0,0|2,0,0]=4 3642 B8R0.2 COC(=O)C(=C(C)C)Br MCULE-8636120575 [0,2,0,0,0,0|0,0,2]=4 3643 B8R0.2 COC(=O)C(=O)C(C)Br MCULE-1006616025 [0,2,0,0,0,0|1,0,1]=4 3644 B8R0.2 COC(=O)C(=O)C(C)C MCULE-5411002089 [0,2,0,0,0,0|0,0,1]=3 3645 B8R0.2 COC(=O)C(=O)C(C)Cl MCULE-1746484890 [0,2,0,0,0,0|1,0,1]=4 3646 B8R0.2 COC(=O)C(=O)N(C)C MCULE-3358727731 [0,2,0,0,0,0|1,0,1]=4 3647 B8R0.2 COC(=O)C(Br)C(=O)C MCULE-4571030586 [0,2,0,0,0,0|1,0,1]=4 3648 B8R0.2 COC(=O)C(Br)C(C)Br MCULE-1209772107 [0,2,0,0,0,0|1,0,0]=3 3649 B8R0.2 COC(=O)C(Br)C(C)C MCULE-2879214598 [0,2,0,0,0,0|0,0,0]=2 3650 B8R0.2 COC(=O)C(C)C(=O)C MCULE-7473005493 [0,2,0,0,0,0|1,0,1]=4 3651 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,2,0,0,0,0|1,0,1]=4 3652 B8R0.2 COC(=O)C(C)C(C)O MCULE-1377857651 [0,2,0,0,0,0|1,0,0]=3 3653 B8R0.2 COC(=O)C(C)C(C)S MCULE-8090305970 [0,2,0,0,0,0|1,0,0]=3 3654 B8R0.2 COC(=O)C(Cl)C(=O)C MCULE-8703201551 [0,2,0,0,0,0|1,0,1]=4 3655 B8R0.2 COC(=O)C(Cl)C(C)Cl MCULE-8079111955 [0,2,0,0,0,0|1,0,0]=3 3656 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6003738013 [0,2,0,0,0,0|1,0,1]=4 3657 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6286319401 [0,2,0,0,0,0|1,0,1]=4 3658 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,2,0,0,0,0|1,0,1]=4 3659 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,2,0,0,0,0|1,0,1]=4 3660 B8R0.2 COC(=O)C(N)C(C)C MCULE-2054930909 [0,2,0,0,0,0|0,0,0]=2 3661 B8R0.2 COC(=O)C(N)C(C)C MCULE-2312805449 [0,2,0,0,0,0|0,0,0]=2 3662 B8R0.2 COC(=O)C(N)C(C)C MCULE-4433456538 [0,2,0,0,0,0|0,0,0]=2 3663 B8R0.2 COC(=O)C(N)C(C)C MCULE-4595803138 [0,2,0,0,0,0|0,0,0]=2 3664 B8R0.2 COC(=O)C(N)C(C)Cl MCULE-6074076208 [0,2,0,0,0,0|1,0,0]=3 3665 B8R0.2 COC(=O)C(N)C(C)Cl MCULE-6154308704 [0,2,0,0,0,0|1,0,0]=3 3666 B8R0.2 COC(=O)C(N)C(C)O MCULE-4054504482 [0,2,0,0,0,0|1,0,0]=3 3667 B8R0.2 COC(=O)C(N)C(C)O MCULE-5137175004 [0,2,0,0,0,0|1,0,0]=3 3668 B8R0.2 COC(=O)C(O)C(C)Br MCULE-7007726043 [0,2,0,0,0,0|1,0,0]=3 3669 B8R0.2 COC(=O)C(O)C(C)C MCULE-8424293497 [0,2,0,0,0,0|0,0,0]=2 3670 B8R0.2 COC(=O)C(O)C(C)N MCULE-7579168292 [0,2,0,0,0,0|1,0,0]=3 3671 B8R0.2 COC(=O)C(S)C(C)C MCULE-4177105598 [0,2,0,0,0,0|0,0,0]=2 3672 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,2,0,0,0,0|1,0,1]=4 3673 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,2,0,0,0,0|1,0,1]=4 3674 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-1961120276 [0,2,0,0,0,0|0,0,0]=2 3675 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-7694873432 [0,2,0,0,0,0|0,0,0]=2 3676 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-9509659105 [0,2,0,0,0,0|0,0,0]=2 3677 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-9828778245 [0,2,0,0,0,0|0,0,0]=2 3678 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-3396042563 [0,2,0,0,0,0|1,0,0]=3 3679 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-3984373535 [0,2,0,0,0,0|1,0,0]=3 3680 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-5105961994 [0,2,0,0,0,0|1,0,0]=3 3681 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-6341068916 [0,2,0,0,0,0|1,0,0]=3 3682 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-6365007520 [0,2,0,0,0,0|1,0,0]=3 3683 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-9648470447 [0,2,0,0,0,0|1,0,0]=3 3684 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-1344493357 [0,2,0,0,0,0|1,0,0]=3 3685 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-2707639795 [0,2,0,0,0,0|1,0,0]=3 3686 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-5310976879 [0,2,0,0,0,0|1,0,0]=3 3687 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-5466279343 [0,2,0,0,0,0|1,0,0]=3 3688 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-7651050243 [0,2,0,0,0,0|1,0,0]=3 3689 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-9066216802 [0,2,0,0,0,0|1,0,0]=3 3690 B8R0.2 COC(=O)[C@@H](O)C(C)C MCULE-5130677971 [0,2,0,0,0,0|0,0,0]=2 3691 B8R0.2 COC(=O)[C@@H](O)C(C)C MCULE-7282119938 [0,2,0,0,0,0|0,0,0]=2 3692 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-1711341812 [0,2,0,0,0,0|1,0,0]=3 3693 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-1867656873 [0,2,0,0,0,0|1,0,0]=3 3694 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-3450004076 [0,2,0,0,0,0|1,0,0]=3 3695 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-7295638242 [0,2,0,0,0,0|1,0,0]=3 3696 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-2129476798 [0,2,0,0,0,0|0,0,0]=2 3697 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-5614881016 [0,2,0,0,0,0|0,0,0]=2 3698 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-5653129894 [0,2,0,0,0,0|0,0,0]=2 3699 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-7878824190 [0,2,0,0,0,0|0,0,0]=2 3700 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-5915481519 [0,2,0,0,0,0|1,0,0]=3 3701 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-6143392922 [0,2,0,0,0,0|1,0,0]=3 3702 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-8582390480 [0,2,0,0,0,0|1,0,0]=3 3703 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-8654293763 [0,2,0,0,0,0|1,0,0]=3 3704 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-1159030229 [0,2,0,0,0,0|1,0,0]=3 3705 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-3519054990 [0,2,0,0,0,0|1,0,0]=3 3706 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-9015310634 [0,2,0,0,0,0|1,0,0]=3 3707 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-9519182030 [0,2,0,0,0,0|1,0,0]=3 3708 B8R0.2 COC(=O)[C@H](O)C(C)C MCULE-2046755935 [0,2,0,0,0,0|0,0,0]=2 3709 B8R0.2 COC(=O)[C@H](O)C(C)C MCULE-7450255928 [0,2,0,0,0,0|0,0,0]=2 3710 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,2,0,0,0,0|0,0,0]=2 3711 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,2,0,0,0,0|0,0,0]=2 3712 B8R0.2 COC(C)C([NH3+])C(=O)[O-] MCULE-9174020309 [0,2,0,0,0,0|0,0,1]=3 3713 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,2,0,0,0,0|0,0,0]=2 3714 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,2,0,0,0,0|0,0,0]=2 3715 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,2,0,0,0,0|0,0,0]=2 3716 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,2,0,0,0,0|0,0,0]=2 3717 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,2,0,0,0,0|0,0,0]=2 3718 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,2,0,0,0,0|0,0,0]=2 3719 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,2,0,0,0,0|0,0,0]=2 3720 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,2,0,0,0,0|0,0,0]=2 3721 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,2,0,0,0,0|0,0,0]=2 3722 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [0,2,0,0,0,0|0,0,0]=2 3723 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-1942337033 [0,2,0,0,0,0|1,0,1]=4 3724 B8R0.2 C[C@@H](O)[C@@H](O)[C@@H](O)C=O MCULE-4131864005 [0,2,0,0,0,0|1,0,1]=4 3725 B8R0.2 C[C@H](O)[C@H](O)[C@@H](O)C=O MCULE-8061692459 [0,2,0,0,0,0|1,0,1]=4 3726 B8R0.2 C[C@H](O)[C@H](O)[C@H](O)C=O MCULE-5963868974 [0,2,0,0,0,0|1,0,1]=4 3727 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,2,0,0,0,0|1,0,0]=3 3728 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,2,0,0,0,0|1,0,0]=3 3729 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,2,0,0,0,0|1,0,0]=3 3730 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [0,2,0,0,0,0|1,0,1]=4 3731 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [0,2,0,0,0,0|1,0,1]=4 3732 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [0,2,0,0,0,0|1,0,1]=4 3733 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [0,2,0,0,0,0|1,0,0]=3 3734 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [0,2,0,0,0,0|1,0,0]=3 3735 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,2,0,0,0,0|1,0,0]=3 3736 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,2,0,0,0,0|1,0,0]=3 3737 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,2,0,0,0,0|1,0,0]=3 3738 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,2,0,0,0,0|1,0,0]=3 3739 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,2,0,0,0,0|1,0,0]=3 3740 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,2,0,0,0,0|1,0,0]=3 3741 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,2,0,0,0,0|1,0,0]=3 3742 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,2,0,0,0,0|1,0,0]=3 3743 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,2,0,0,0,0|1,0,0]=3 3744 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,2,0,0,0,0|1,0,0]=3 3745 B8R0.5 C/C=C/C(=O)OC(C)C MCULE-1616974622 [0,2,0,0,0,0|2,0,0]=4 3746 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,2,0,0,0,0|1,0,0]=3 3747 B8R0.5 C=C(C)CC(C)CCC MCULE-7442491404 [0,2,0,0,0,0|2,0,0]=4 3748 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,2,0,0,0,0|0,0,2]=4 3749 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,2,0,0,0,0|1,0,0]=3 3750 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,2,0,0,0,0|1,0,0]=3 3751 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,2,0,0,0,0|1,0,0]=3 3752 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,2,0,0,0,0|1,0,0]=3 3753 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,2,0,0,0,0|1,0,0]=3 3754 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,2,0,0,0,0|1,0,0]=3 3755 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,2,0,0,0,0|1,0,0]=3 3756 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,2,0,0,0,0|1,0,0]=3 3757 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,2,0,0,0,0|1,0,0]=3 3758 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,2,0,0,0,0|1,0,0]=3 3759 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,2,0,0,0,0|1,0,0]=3 3760 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,2,0,0,0,0|1,0,0]=3 3761 B8R0.5 CC(=CC=O)CC(C)C MCULE-4061823977 [0,2,0,0,0,0|1,0,0]=3 3762 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [0,2,0,0,0,0|2,0,0]=4 3763 B8R0.5 CC(C)CC(=O)CC#N MCULE-2694593001 [0,2,0,0,0,0|1,0,0]=3 3764 B8R0.5 CC(C)CC(=O)OCCl MCULE-3506308902 [0,2,0,0,0,0|0,0,0]=2 3765 B8R0.5 CC(C)CC(=O)OCI MCULE-8217025108 [0,2,0,0,0,0|0,0,0]=2 3766 B8R0.5 CC(C)CC(C)CCO MCULE-4252029005 [0,2,0,0,0,0|1,0,1]=4 3767 B8R0.5 CC(C)CC(N)CCO MCULE-3556995407 [0,2,0,0,0,0|1,0,1]=4 3768 B8R0.5 CC(C)C[C@H](N)CCO MCULE-8336727873 [0,2,0,0,0,0|1,0,1]=4 3769 B8R0.5 CC(C)NC(=O)CC#N MCULE-5972862429 [0,2,0,0,0,0|2,0,0]=4 3770 B8R0.5 CC(C)NC(=O)CCBr MCULE-9236552754 [0,2,0,0,0,0|2,0,0]=4 3771 B8R0.5 CC(C)NC(=O)CCCl MCULE-8307702410 [0,2,0,0,0,0|2,0,0]=4 3772 B8R0.5 CC(C)NC(=O)CCN MCULE-5092379026 [0,2,0,0,0,0|2,0,0]=4 3773 B8R0.5 CC(C)NC(=O)CCN MCULE-7853792621 [0,2,0,0,0,0|2,0,0]=4 3774 B8R0.5 CC(C)NC(=O)CCO MCULE-2988622710 [0,2,0,0,0,0|1,0,0]=3 3775 B8R0.5 CC(C)NC(=O)OCCl MCULE-9464097550 [0,2,0,0,0,0|1,0,0]=3 3776 B8R0.5 CC(C)OC(=O)/C=C\I MCULE-9006559036 [0,2,0,0,0,0|2,0,0]=4 3777 B8R0.5 CC(C)OC(=O)C=CI MCULE-8435174214 [0,2,0,0,0,0|2,0,0]=4 3778 B8R0.5 CC(C)OC(=O)CC#N MCULE-7936509362 [0,2,0,0,0,0|2,0,0]=4 3779 B8R0.5 CC(C)OC(=O)CCBr MCULE-2382797929 [0,2,0,0,0,0|2,0,0]=4 3780 B8R0.5 CC(C)OC(=O)CCCl MCULE-7655932888 [0,2,0,0,0,0|2,0,0]=4 3781 B8R0.5 CC(C)OC(=O)CCN MCULE-8590072190 [0,2,0,0,0,0|2,0,0]=4 3782 B8R0.5 CC(C)OC(=O)CCS MCULE-6681403441 [0,2,0,0,0,0|1,1,0]=4 3783 B8R0.5 CC(C)OC(=O)OCCl MCULE-6987085424 [0,2,0,0,0,0|1,0,0]=3 3784 B8R0.5 CC(C)OC(=O)OCI MCULE-7199284723 [0,2,0,0,0,0|1,0,0]=3 3785 B8R0.5 CC=CC(=O)OC(C)C MCULE-1964573167 [0,2,0,0,0,0|2,0,0]=4 3786 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,2,0,0,0,0|1,0,0]=3 3787 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,2,0,0,0,0|0,0,2]=4 3788 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,2,0,0,0,0|0,0,2]=4 3789 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,2,0,0,0,0|1,0,1]=4 3790 B8R0.5 CCCC(=O)CC(C)C MCULE-1475988710 [0,2,0,0,0,0|1,0,0]=3 3791 B8R0.5 CCCC(=O)NC(C)C MCULE-1125409776 [0,2,0,0,0,0|2,0,0]=4 3792 B8R0.5 CCCC(=O)OC(C)C MCULE-1932528429 [0,2,0,0,0,0|2,0,0]=4 3793 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,2,0,0,0,0|1,0,0]=3 3794 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,2,0,0,0,0|0,0,0]=2 3795 B8R0.5 CCCC(C)CC(C)O MCULE-3968478752 [0,2,0,0,0,0|1,0,1]=4 3796 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,2,0,0,0,0|2,0,0]=4 3797 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [0,2,0,0,0,0|2,0,0]=4 3798 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,2,0,0,0,0|2,0,0]=4 3799 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,2,0,0,0,0|1,0,0]=3 3800 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,2,0,0,0,0|1,0,0]=3 3801 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,2,0,0,0,0|1,0,0]=3 3802 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,2,0,0,0,0|1,0,0]=3 3803 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,2,0,0,0,0|1,0,0]=3 3804 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,2,0,0,0,0|1,0,0]=3 3805 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,2,0,0,0,0|1,0,0]=3 3806 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,2,0,0,0,0|2,0,0]=4 3807 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,2,0,0,0,0|1,0,0]=3 3808 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,2,0,0,0,0|1,0,0]=3 3809 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,2,0,0,0,0|1,0,0]=3 3810 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,2,0,0,0,0|1,0,0]=3 3811 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,2,0,0,0,0|1,0,0]=3 3812 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,2,0,0,0,0|1,0,1]=4 3813 B8R0.5 CCNC(=O)CC(C)O MCULE-1959743741 [0,2,0,0,0,0|2,0,0]=4 3814 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,2,0,0,0,0|0,0,0]=2 3815 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,2,0,0,0,0|0,0,0]=2 3816 B8R0.5 CCOC(=N)CC(C)C MCULE-4196552764 [0,2,0,0,0,0|1,0,0]=3 3817 B8R0.5 CCOC(=N)CC(C)C MCULE-7556709104 [0,2,0,0,0,0|1,0,0]=3 3818 B8R0.5 CCOC(=O)C=C(C)C MCULE-2935651341 [0,2,0,0,0,0|0,0,2]=4 3819 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [0,2,0,0,0,0|1,0,1]=4 3820 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,2,0,0,0,0|1,0,1]=4 3821 B8R0.5 CCOC(=O)CC(C)Br MCULE-4224246188 [0,2,0,0,0,0|1,0,0]=3 3822 B8R0.5 CCOC(=O)CC(C)C MCULE-1409113611 [0,2,0,0,0,0|0,0,0]=2 3823 B8R0.5 CCOC(=O)CC(C)N MCULE-1243805331 [0,2,0,0,0,0|1,0,0]=3 3824 B8R0.5 CCOC(=O)CC(C)N MCULE-5115744093 [0,2,0,0,0,0|1,0,0]=3 3825 B8R0.5 CCOC(=O)CC(C)N MCULE-5865270424 [0,2,0,0,0,0|1,0,0]=3 3826 B8R0.5 CCOC(=O)CC(C)N MCULE-7563274819 [0,2,0,0,0,0|1,0,0]=3 3827 B8R0.5 CCOC(=O)CC(C)O MCULE-5738582973 [0,2,0,0,0,0|1,0,0]=3 3828 B8R0.5 CCOC(=O)CC(C)O MCULE-7412227285 [0,2,0,0,0,0|1,0,0]=3 3829 B8R0.5 CCOC(=O)CC(C)S MCULE-1321603394 [0,2,0,0,0,0|1,0,0]=3 3830 B8R0.5 CCOC(=O)CC(F)F MCULE-9099238197 [0,2,0,0,0,0|2,0,0]=4 3831 B8R0.5 CCOC(=O)CN(C)C MCULE-7481726803 [0,2,0,0,0,0|1,0,0]=3 3832 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-1945272442 [0,2,0,0,0,0|1,0,0]=3 3833 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-2760267862 [0,2,0,0,0,0|1,0,0]=3 3834 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-3046196442 [0,2,0,0,0,0|1,0,0]=3 3835 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-8919184785 [0,2,0,0,0,0|1,0,0]=3 3836 B8R0.5 CCOC(=O)C[C@@H](C)O MCULE-2482059514 [0,2,0,0,0,0|1,0,0]=3 3837 B8R0.5 CCOC(=O)C[C@@H](C)O MCULE-7632639859 [0,2,0,0,0,0|1,0,0]=3 3838 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-2736239635 [0,2,0,0,0,0|1,0,0]=3 3839 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-4857755885 [0,2,0,0,0,0|1,0,0]=3 3840 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-8001518919 [0,2,0,0,0,0|1,0,0]=3 3841 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-9141489226 [0,2,0,0,0,0|1,0,0]=3 3842 B8R0.5 CCOC(=O)C[C@H](C)O MCULE-7934535288 [0,2,0,0,0,0|1,0,0]=3 3843 B8R0.5 CCOC(=O)C[C@H](C)O MCULE-8099928659 [0,2,0,0,0,0|1,0,0]=3 3844 B8R0.5 CCOC(=O)C[S+](C)C MCULE-6931339935 [0,2,0,0,0,0|1,0,0]=3 3845 B8R0.5 CCOC(=O)C[S+](C)C MCULE-7075454926 [0,2,0,0,0,0|1,0,0]=3 3846 B8R0.5 CCOC(=O)NC(C)C MCULE-1540464163 [0,2,0,0,0,0|1,0,0]=3 3847 B8R0.5 CCOC(=O)OC(C)Cl MCULE-6170131499 [0,2,0,0,0,0|2,0,0]=4 3848 B8R0.5 CCOC(C)SC(=O)C MCULE-7308480995 [0,2,0,0,0,0|2,0,0]=4 3849 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,2,0,0,0,0|0,0,0]=2 3850 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,2,0,0,0,0|1,0,0]=3 3851 B8R0.5 CNCC(=O)NC(C)C MCULE-3564656726 [0,2,0,0,0,0|2,0,0]=4 3852 B8R0.5 CNCC(=O)NC(C)C MCULE-7083002433 [0,2,0,0,0,0|2,0,0]=4 3853 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,2,0,0,0,0|1,0,0]=3 3854 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,2,0,0,0,0|1,0,0]=3 3855 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [0,2,0,0,0,0|0,0,2]=4 3856 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [0,2,0,0,0,0|1,0,1]=4 3857 B8R0.5 COCC(=O)CC(C)C MCULE-3040467675 [0,2,0,0,0,0|0,0,0]=2 3858 B8R0.5 COCC(=O)OC(C)C MCULE-3543304597 [0,2,0,0,0,0|1,0,0]=3 3859 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,2,0,0,0,0|0,0,0]=2 3860 B8R0.5 COCC(C)NC(=O)N MCULE-1001849810 [0,2,0,0,0,0|2,0,0]=4 3861 B8R0.5 COCC(C)OC(=O)C MCULE-8540773364 [0,2,0,0,0,0|2,0,0]=4 3862 B8R0.5 COCC(C)OC(=O)Cl MCULE-3426225357 [0,2,0,0,0,0|2,0,0]=4 3863 B8R0.5 COCC(O)CC(C)C MCULE-8774838486 [0,2,0,0,0,0|0,0,2]=4 3864 B8R0.5 COC[C@H](N)CC(C)C MCULE-2740362594 [0,2,0,0,0,0|1,0,1]=4 3865 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,2,0,0,0,0|1,0,0]=3 3866 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,2,0,0,0,0|1,0,0]=3 3867 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [0,2,0,0,0,0|0,0,1]=3 3868 B8R0.16 CC(=O)NC(CO)CO MCULE-5276694510 [0,2,0,0,0,0|2,0,0]=4 3869 B8R0.16 CC(C)CC(CN)CO MCULE-7916297233 [0,2,0,0,0,0|1,0,1]=4 3870 B8R0.16 CCC(=CC(=O)O)CC MCULE-1347248467 [0,2,0,0,0,0|0,0,2]=4 3871 B8R0.16 CCC(CC(=O)N)OC MCULE-9685044533 [0,2,0,0,0,0|1,0,0]=3 3872 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [0,2,0,0,0,0|0,0,0]=2 3873 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [0,2,0,0,0,0|0,0,0]=2 3874 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [0,2,0,0,0,0|1,0,0]=3 3875 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [0,2,0,0,0,0|1,0,0]=3 3876 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [0,2,0,0,0,0|0,0,0]=2 3877 B8R0.16 CCC(CO)CC(C)C MCULE-9608291376 [0,2,0,0,0,0|1,0,1]=4 3878 B8R0.16 CCC(CO)NC(=O)C MCULE-9868176705 [0,2,0,0,0,0|2,0,0]=4 3879 B8R0.16 CCN(CC)CC(=O)C MCULE-9148873435 [0,2,0,0,0,0|2,0,0]=4 3880 B8R0.16 CCN(CC)CC(=O)N MCULE-6912193750 [0,2,0,0,0,0|2,0,0]=4 3881 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [0,2,0,0,0,0|1,0,0]=3 3882 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [0,2,0,0,0,0|1,0,0]=3 3883 B8R0.16 CCN(CC)CC(=O)[O-] MCULE-5593114931 [0,2,0,0,0,0|1,0,1]=4 3884 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-2664687963 [0,2,0,0,0,0|2,0,0]=4 3885 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-6485833206 [0,2,0,0,0,0|2,0,0]=4 3886 B8R0.16 CN[C@H](CO)CC(C)C MCULE-6658701824 [0,2,0,0,0,0|1,0,1]=4 3887 B8R0.16 CO/C(=C/N(C)C)/C=O MCULE-7624417388 [0,2,0,0,0,0|1,0,1]=4 3888 B8R0.16 COC(=CN(C)C)C=O MCULE-9451220083 [0,2,0,0,0,0|1,0,1]=4 3889 B8R0.16 COC(C=O)CC(C)C MCULE-3050869989 [0,2,0,0,0,0|0,0,1]=3 3890 B8R0.16 COC(CBr)CC(C)C MCULE-9677392653 [0,2,0,0,0,0|1,0,1]=4 3891 B8R0.16 COC(CC(=O)C)OC MCULE-4638877505 [0,2,0,0,0,0|1,0,0]=3 3892 B8R0.16 COC(CC(=O)N)OC MCULE-8599636273 [0,2,0,0,0,0|1,0,0]=3 3893 B8R0.16 COC(CC(=O)O)OC MCULE-5378328171 [0,2,0,0,0,0|0,0,0]=2 3894 B8R0.16 COC(CC(C)O)OC MCULE-7166834512 [0,2,0,0,0,0|1,0,1]=4 3895 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,2,0,0,0,0|0,0,0]=2 3896 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,2,0,0,0,0|0,0,0]=2 3897 B8R0.16 COC(CN)CC(C)C MCULE-1093186897 [0,2,0,0,0,0|1,0,1]=4 3898 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,2,0,0,0,0|0,0,0]=2 3899 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [0,2,0,0,0,0|1,0,0]=3 3900 B8R0.19 C=C(CCl)CC(=O)OC MCULE-3436182948 [0,2,0,0,0,0|0,0,2]=4 3901 B8R0.19 CC(CO)CC(C)CO MCULE-5101558507 [0,2,0,0,0,0|1,0,1]=4 3902 B8R0.19 CC(CO)NC(=O)CCl MCULE-8321254604 [0,2,0,0,0,0|2,0,0]=4 3903 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,2,0,0,0,0|1,0,1]=4 3904 B8R0.19 CCC(=O)CC(C)CC MCULE-8568086135 [0,2,0,0,0,0|1,0,0]=3 3905 B8R0.19 CCC(=O)OC(C)CC MCULE-9589388650 [0,2,0,0,0,0|2,0,0]=4 3906 B8R0.19 CCC(C)CC(=O)OC MCULE-6040162942 [0,2,0,0,0,0|0,0,0]=2 3907 B8R0.19 CCC(C)CC(C)CO MCULE-5737704972 [0,2,0,0,0,0|1,0,1]=4 3908 B8R0.19 CCC(C)CC(N)CO MCULE-5344165944 [0,2,0,0,0,0|1,0,1]=4 3909 B8R0.19 CCC(C)CC(N)CO MCULE-6408946943 [0,2,0,0,0,0|1,0,1]=4 3910 B8R0.19 CCC(C)CC(O)CC MCULE-9706306627 [0,2,0,0,0,0|1,0,1]=4 3911 B8R0.19 CCC(C)NC(=O)CBr MCULE-1471524055 [0,2,0,0,0,0|2,0,0]=4 3912 B8R0.19 CCC(C)NC(=O)CCl MCULE-1032516079 [0,2,0,0,0,0|2,0,0]=4 3913 B8R0.19 CCC(C)NC(=O)CN MCULE-2235248545 [0,2,0,0,0,0|2,0,0]=4 3914 B8R0.19 CCC(C)NC(=O)CN MCULE-5232759952 [0,2,0,0,0,0|2,0,0]=4 3915 B8R0.19 CCC(C)OC(=O)NN MCULE-8409912635 [0,2,0,0,0,0|2,0,0]=4 3916 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,2,0,0,0,0|1,0,0]=3 3917 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,2,0,0,0,0|1,0,0]=3 3918 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,2,0,0,0,0|1,0,0]=3 3919 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,2,0,0,0,0|1,0,0]=3 3920 B8R0.19 CCN(C)CC(=O)NN MCULE-1832911721 [0,2,0,0,0,0|2,0,0]=4 3921 B8R0.19 CCN(C)CC(=O)NN MCULE-2865164993 [0,2,0,0,0,0|2,0,0]=4 3922 B8R0.19 CCN(C)CC(=O)NN MCULE-7681557684 [0,2,0,0,0,0|2,0,0]=4 3923 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,2,0,0,0,0|1,0,0]=3 3924 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [0,2,0,0,0,0|1,0,0]=3 3925 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [0,2,0,0,0,0|1,0,0]=3 3926 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,2,0,0,0,0|1,0,0]=3 3927 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,2,0,0,0,0|1,0,0]=3 3928 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,2,0,0,0,0|1,0,0]=3 3929 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,2,0,0,0,0|1,0,0]=3 3930 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [0,2,0,0,0,0|1,0,0]=3 3931 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [0,2,0,0,0,0|1,0,0]=3 3932 B8R0.19 CN/C(=C/C(=O)OC)/C MCULE-6748104823 [0,2,0,0,0,0|0,0,2]=4 3933 B8R0.19 CN/C(=C\C(=O)OC)/C MCULE-6583518879 [0,2,0,0,0,0|0,0,2]=4 3934 B8R0.19 CNC(=CC(=O)OC)C MCULE-1607524183 [0,2,0,0,0,0|0,0,2]=4 3935 B8R0.19 CNC(=O)CC(C)NC MCULE-8409395532 [0,2,0,0,0,0|1,0,0]=3 3936 B8R0.19 CNC(=O)CC(C)NC MCULE-9311295772 [0,2,0,0,0,0|1,0,0]=3 3937 B8R0.19 CNC(C)CC(=O)OC MCULE-1039195486 [0,2,0,0,0,0|0,0,0]=2 3938 B8R0.19 COC(=N)CC(=O)OC MCULE-2416316391 [0,2,0,0,0,0|1,0,1]=4 3939 B8R0.19 COC(=N)CC(=O)OC MCULE-9193442551 [0,2,0,0,0,0|1,0,1]=4 3940 B8R0.19 COC(=O)/C=C(\C)/OC MCULE-8813923973 [0,2,0,0,0,0|0,0,2]=4 3941 B8R0.19 COC(=O)C=C(C)OC MCULE-1610055087 [0,2,0,0,0,0|0,0,2]=4 3942 B8R0.19 COC(=O)CC(=O)CCl MCULE-1683633113 [0,2,0,0,0,0|1,0,1]=4 3943 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,2,0,0,0,0|1,0,1]=4 3944 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,2,0,0,0,0|0,0,1]=3 3945 B8R0.19 COC(=O)CC(C)CBr MCULE-9170421446 [0,2,0,0,0,0|0,0,0]=2 3946 B8R0.19 COC(=O)CC(C)SC MCULE-9425584839 [0,2,0,0,0,0|0,0,0]=2 3947 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [0,2,0,0,0,0|1,0,0]=3 3948 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [0,2,0,0,0,0|1,0,0]=3 3949 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,2,0,0,0,0|1,0,0]=3 3950 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,2,0,0,0,0|1,0,0]=3 3951 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [0,2,0,0,0,0|1,0,0]=3 3952 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,2,0,0,0,0|1,0,0]=3 3953 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,2,0,0,0,0|1,0,0]=3 3954 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,2,0,0,0,0|1,0,0]=3 3955 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,2,0,0,0,0|1,0,0]=3 3956 B8R0.19 COC(=O)CN(C)C=O MCULE-9266775990 [0,2,0,0,0,0|1,0,1]=4 3957 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [0,2,0,0,0,0|1,0,0]=3 3958 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [0,2,0,0,0,0|1,0,0]=3 3959 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [0,2,0,0,0,0|1,0,0]=3 3960 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [0,2,0,0,0,0|1,0,0]=3 3961 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,2,0,0,0,0|1,0,0]=3 3962 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,2,0,0,0,0|1,0,0]=3 3963 B8R0.19 COC(=O)NC(C)CN MCULE-4563927308 [0,2,0,0,0,0|1,0,0]=3 3964 B8R0.19 COC(=O)NC(C)CN MCULE-8813177733 [0,2,0,0,0,0|1,0,0]=3 3965 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-1533957902 [0,2,0,0,0,0|1,0,0]=3 3966 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-7036214898 [0,2,0,0,0,0|1,0,0]=3 3967 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-8908212489 [0,2,0,0,0,0|1,0,0]=3 3968 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-9526857370 [0,2,0,0,0,0|1,0,0]=3 3969 B8R0.19 CSC(=O)NC(C)CBr MCULE-5023672306 [0,2,0,0,0,0|1,1,0]=4 3970 B8R0.19 CSC(=O)NC(C)CCl MCULE-7349275493 [0,2,0,0,0,0|1,1,0]=4 3971 B8R0.19 NNC(=O)CC(O)CCl MCULE-4502390137 [0,2,0,0,0,0|2,0,0]=4 3972 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,2,0,0,0,0|1,0,0]=3 3973 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,2,0,0,0,0|1,0,0]=3 3974 B8R0.24 C#CC(=O)OC(C)(C)C MCULE-4479684055 [0,2,0,0,0,0|2,0,0]=4 3975 B8R0.24 C=CC(=O)NC(C)(C)C MCULE-9204329789 [0,2,0,0,0,0|2,0,0]=4 3976 B8R0.24 C=CC(=O)OC(C)(C)C MCULE-8872836724 [0,2,0,0,0,0|2,0,0]=4 3977 B8R0.24 CC(C)(C)C/C(=N/O)/Cl MCULE-1368275307 [0,2,0,0,0,0|1,0,0]=3 3978 B8R0.24 CC(C)(C)C/C(=N/O)/N MCULE-5549028481 [0,2,0,0,0,0|1,0,0]=3 3979 B8R0.24 CC(C)(C)CC(=O)CBr MCULE-3003238476 [0,2,0,0,0,0|1,0,0]=3 3980 B8R0.24 CC(C)(C)CC(=O)NN MCULE-2447850618 [0,2,0,0,0,0|1,0,0]=3 3981 B8R0.24 CC(C)(C)CC(=O)NN MCULE-4899801536 [0,2,0,0,0,0|1,0,0]=3 3982 B8R0.24 CC(C)(C)CC(=O)NO MCULE-7851302505 [0,2,0,0,0,0|0,0,0]=2 3983 B8R0.24 CC(C)(C)CC(N)CO MCULE-6218529160 [0,2,0,0,0,0|1,0,1]=4 3984 B8R0.24 CC(C)(C)CC(N)CO MCULE-9260689415 [0,2,0,0,0,0|1,0,1]=4 3985 B8R0.24 CC(C)(C)CC(O)CN MCULE-2797135905 [0,2,0,0,0,0|1,0,1]=4 3986 B8R0.24 CC(C)(C)C[C@@H](N)CO MCULE-2344272194 [0,2,0,0,0,0|1,0,1]=4 3987 B8R0.24 CC(C)(C)C[C@@H](N)CO MCULE-3422824651 [0,2,0,0,0,0|1,0,1]=4 3988 B8R0.24 CC(C)(C)C[C@H](N)CO MCULE-1162425709 [0,2,0,0,0,0|1,0,1]=4 3989 B8R0.24 CC(C)(C)C[C@H](N)CO MCULE-6072062398 [0,2,0,0,0,0|1,0,1]=4 3990 B8R0.24 CC(C)(C)C[C@H](N)CO MCULE-6096680571 [0,2,0,0,0,0|1,0,1]=4 3991 B8R0.24 CC(C)(C)C[C@H](N)CO MCULE-9054616581 [0,2,0,0,0,0|1,0,1]=4 3992 B8R0.24 CC(C)(C)NC(=O)CBr MCULE-1165623334 [0,2,0,0,0,0|2,0,0]=4 3993 B8R0.24 CC(C)(C)NC(=O)CCl MCULE-6588434415 [0,2,0,0,0,0|2,0,0]=4 3994 B8R0.24 CC(C)(C)NC(=O)CN MCULE-5469071712 [0,2,0,0,0,0|2,0,0]=4 3995 B8R0.24 CC(C)(C)NC(=O)CN MCULE-7296649396 [0,2,0,0,0,0|2,0,0]=4 3996 B8R0.24 CC(C)(C)NC(=O)CO MCULE-8646082517 [0,2,0,0,0,0|1,0,0]=3 3997 B8R0.24 CC(C)(C)NC(=O)CS MCULE-7940736777 [0,2,0,0,0,0|1,1,0]=4 3998 B8R0.24 CC(C)(C)OC(=O)C#N MCULE-6943844794 [0,2,0,0,0,0|2,0,0]=4 3999 B8R0.24 CC(C)(C)OC(=O)C=O MCULE-3379601471 [0,2,0,0,0,0|1,0,1]=4 4000 B8R0.24 CC(C)(C)OC(=O)CBr MCULE-4499759965 [0,2,0,0,0,0|2,0,0]=4 4001 B8R0.24 CC(C)(C)OC(=O)CCl MCULE-5971996705 [0,2,0,0,0,0|2,0,0]=4 4002 B8R0.24 CC(C)(C)OC(=O)CI MCULE-2732895810 [0,2,0,0,0,0|2,0,0]=4 4003 B8R0.24 CC(C)(C)OC(=O)CN MCULE-3309568193 [0,2,0,0,0,0|2,0,0]=4 4004 B8R0.24 CC(C)(C)OC(=O)CN MCULE-6386011239 [0,2,0,0,0,0|2,0,0]=4 4005 B8R0.24 CC(C)(C)OC(=O)CN MCULE-7116476832 [0,2,0,0,0,0|2,0,0]=4 4006 B8R0.24 CC(C)(C)OC(=O)CO MCULE-5147843466 [0,2,0,0,0,0|1,0,0]=3 4007 B8R0.24 CC(C)(C)OC(=O)CS MCULE-2812843756 [0,2,0,0,0,0|1,1,0]=4 4008 B8R0.24 CC(C)(C)OC(=O)NN MCULE-7583988384 [0,2,0,0,0,0|2,0,0]=4 4009 B8R0.24 CC(C)(C)OC(=O)NO MCULE-6535596246 [0,2,0,0,0,0|1,0,0]=3 4010 B8R0.24 CC(C)(F)C[C@H](N)CO MCULE-7714026743 [0,2,0,0,0,0|1,0,1]=4 4011 B8R0.24 CC(C=O)CC(C)(C)C MCULE-7924761915 [0,2,0,0,0,0|1,0,1]=4 4012 B8R0.24 CC(CCl)CS(=O)(=O)C MCULE-2467555509 [0,2,0,0,0,0|1,0,1]=4 4013 B8R0.24 CC(CN)OS(=O)(=O)O MCULE-9745181089 [0,2,0,0,0,0|2,0,0]=4 4014 B8R0.24 CC(CO)CC(C)(C)C MCULE-7679389860 [0,2,0,0,0,0|1,0,1]=4 4015 B8R0.24 CC(CO)CC(C)(C)N MCULE-9841047592 [0,2,0,0,0,0|1,0,1]=4 4016 B8R0.24 CCC(=O)NC(C)(C)C MCULE-1912132197 [0,2,0,0,0,0|2,0,0]=4 4017 B8R0.24 CCC(=O)OC(C)(C)C MCULE-1989062577 [0,2,0,0,0,0|2,0,0]=4 4018 B8R0.24 CCC(C)CS(=O)(=O)Cl MCULE-3522467576 [0,2,0,0,0,0|1,0,1]=4 4019 B8R0.24 CCC(C)CS(=O)(=O)F MCULE-3296257856 [0,2,0,0,0,0|1,0,1]=4 4020 B8R0.24 CCC(C)CS(=O)(=O)N MCULE-5238656824 [0,2,0,0,0,0|1,0,1]=4 4021 B8R0.24 CNC(=O)OC(C)(C)C MCULE-6409542037 [0,2,0,0,0,0|2,0,0]=4 4022 B8R0.24 CNC(C)CS(=O)(=O)C MCULE-7219200971 [0,2,0,0,0,0|1,0,1]=4 4023 B8R0.24 COC(=O)CC(C)(C)Br MCULE-8991861071 [0,2,0,0,0,0|0,0,0]=2 4024 B8R0.24 COC(=O)CC(C)(C)C MCULE-3411402706 [0,2,0,0,0,0|0,0,0]=2 4025 B8R0.24 COC(=O)CC(C)(C)N MCULE-1261823146 [0,2,0,0,0,0|0,0,0]=2 4026 B8R0.24 COC(=O)CC(C)(C)N MCULE-9654641564 [0,2,0,0,0,0|0,0,0]=2 4027 B8R0.24 COC(=O)CC(C)(C)O MCULE-7166479769 [0,2,0,0,0,0|0,0,0]=2 4028 B8R0.24 COC(=O)CC(C)(F)F MCULE-7009111440 [0,2,0,0,0,0|1,0,0]=3 4029 B8R0.24 COC(=O)CC(F)(F)F MCULE-6904688197 [0,2,0,0,0,0|2,0,0]=4 4030 B8R0.24 COC(=O)CS(=O)(=O)C MCULE-8613714610 [0,2,0,0,0,0|2,0,0]=4 4031 B8R0.24 COC(=O)C[Si](C)(C)C MCULE-5804507255 [0,2,0,0,0,0|0,1,0]=3 4032 B8R0.24 COC(=O)NC(C)(C)C MCULE-9651721607 [0,2,0,0,0,0|1,0,0]=3 4033 B8R0.24 COC(=O)N[Si](C)(C)C MCULE-4344729633 [0,2,0,0,0,0|1,1,0]=4 4034 B8R0.24 COC(=O)OC(C)(C)C MCULE-4865384314 [0,2,0,0,0,0|1,0,0]=3 4035 B8R0.24 COC(C)CS(=O)(=O)N MCULE-1914495657 [0,2,0,0,0,0|1,0,1]=4 4036 B8R0.24 CP(=O)(O)CC(O)CN MCULE-3493831461 [0,2,0,0,0,0|2,0,0]=4 4037 B8R0.24 CP(=O)(O)C[C@H](O)CN MCULE-7311439053 [0,2,0,0,0,0|2,0,0]=4 4038 B8R0.24 CS(=O)(=NC(=O)CO)C MCULE-5445947037 [0,2,0,0,0,0|2,0,0]=4 4039 B8R0.24 CSC(=O)NC(C)(C)C MCULE-8665286741 [0,2,0,0,0,0|1,1,0]=4 4040 B8R0.24 C[N+](C)(C)CC(=O)NN MCULE-1361170426 [0,2,0,0,0,0|2,0,0]=4 4041 B8R0.24 C[N+](C)(C)CC(=O)NN MCULE-5584866955 [0,2,0,0,0,0|2,0,0]=4 4042 B8R0.24 O=S(=O)(O)CC(O)CCl MCULE-8756434458 [0,2,0,0,0,0|2,0,0]=4 4043 B8R0.24 O=S(=O)(O)CC(O)CO MCULE-8972853403 [0,2,0,0,0,0|2,0,0]=4 4044 B8R0.24 O=S(=O)(O)CC(S)CS MCULE-5302170766 [0,2,0,0,0,0|2,0,0]=4 4045 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [0,2,0,0,0,0|2,0,0]=4 4046 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [0,2,0,0,0,0|2,0,0]=4 4047 B8R0.34 C#CC(C)(C)NC(=O)C MCULE-4920426036 [0,2,0,0,0,0|2,0,0]=4 4048 B8R0.34 C#CC(C)(C)NC(=O)N MCULE-6863325051 [0,2,0,0,0,0|2,0,0]=4 4049 B8R0.34 C#CC(C)(C)OC(=O)C MCULE-1021904450 [0,2,0,0,0,0|2,0,0]=4 4050 B8R0.34 C#CC(C)(C)OC(=O)N MCULE-9847890729 [0,2,0,0,0,0|2,0,0]=4 4051 B8R0.34 C#CC(C)(O)CC(C)C MCULE-1026323537 [0,2,0,0,0,0|1,0,1]=4 4052 B8R0.34 C=C(C)CC(C)(C)CC MCULE-9469757352 [0,2,0,0,0,0|2,0,0]=4 4053 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [0,2,0,0,0,0|0,0,0]=2 4054 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,2,0,0,0,0|0,0,1]=3 4055 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,2,0,0,0,0|0,0,1]=3 4056 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [0,2,0,0,0,0|0,0,1]=3 4057 B8R0.34 C=CC(C)(O)CC(C)C MCULE-1669696730 [0,2,0,0,0,0|1,0,1]=4 4058 B8R0.34 CC(=O)CC(C)(C)C#N MCULE-9609954598 [0,2,0,0,0,0|1,0,0]=3 4059 B8R0.34 CC(=O)NC(C)(C)C#N MCULE-8667571534 [0,2,0,0,0,0|2,0,0]=4 4060 B8R0.34 CC(=O)NC(C)(C)CO MCULE-7854801131 [0,2,0,0,0,0|2,0,0]=4 4061 B8R0.34 CC(=O)OC(C)(C)CO MCULE-6739454773 [0,2,0,0,0,0|2,0,0]=4 4062 B8R0.34 CC(C)(C#N)CC(=O)O MCULE-3389391069 [0,2,0,0,0,0|0,0,0]=2 4063 B8R0.34 CC(C)(C#N)CN(=O)=O MCULE-3359987293 [0,2,0,0,0,0|1,0,1]=4 4064 B8R0.34 CC(C)(CBr)CC(=O)O MCULE-4311085343 [0,2,0,0,0,0|0,0,0]=2 4065 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [0,2,0,0,0,0|0,0,0]=2 4066 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [0,2,0,0,0,0|0,0,0]=2 4067 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [0,2,0,0,0,0|0,0,0]=2 4068 B8R0.34 CC(C)(CO)CC(=O)[O-] MCULE-9214676521 [0,2,0,0,0,0|0,0,1]=3 4069 B8R0.34 CC(C)CC(C)(C)CO MCULE-1911437416 [0,2,0,0,0,0|1,0,1]=4 4070 B8R0.34 CC(C)CC(C)(N)CO MCULE-1560730026 [0,2,0,0,0,0|1,0,1]=4 4071 B8R0.34 CC(C)CC(C)(N)CO MCULE-8993149220 [0,2,0,0,0,0|1,0,1]=4 4072 B8R0.34 CC(C)C[C@](C)(N)CO MCULE-2616396238 [0,2,0,0,0,0|1,0,1]=4 4073 B8R0.34 CC(C)C[C@](C)(N)CO MCULE-5663284805 [0,2,0,0,0,0|1,0,1]=4 4074 B8R0.34 CC(C)C[C@](C)(N)CO MCULE-8415395453 [0,2,0,0,0,0|1,0,1]=4 4075 B8R0.34 CC(C)C[C@](C)(N)CO MCULE-9763882430 [0,2,0,0,0,0|1,0,1]=4 4076 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,2,0,0,0,0|0,0,0]=2 4077 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,2,0,0,0,0|0,0,0]=2 4078 B8R0.34 CC(O)CC(C)(C)C#N MCULE-5709903710 [0,2,0,0,0,0|1,0,1]=4 4079 B8R0.34 CC(O)CC(C)(C)CN MCULE-3349093711 [0,2,0,0,0,0|1,0,1]=4 4080 B8R0.34 CC(O)CC(C)(C)CN MCULE-7091343982 [0,2,0,0,0,0|1,0,1]=4 4081 B8R0.34 CCC(C)(C)CC(=O)C MCULE-9050476347 [0,2,0,0,0,0|1,0,0]=3 4082 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [0,2,0,0,0,0|0,0,0]=2 4083 B8R0.34 CCC(C)(C)NC(=O)C MCULE-4494448055 [0,2,0,0,0,0|2,0,0]=4 4084 B8R0.34 CCC(C)(C)OC(=O)C MCULE-9920396593 [0,2,0,0,0,0|2,0,0]=4 4085 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [0,2,0,0,0,0|0,0,0]=2 4086 B8R0.34 CCC(C)(O)CC(C)C MCULE-2017778784 [0,2,0,0,0,0|1,0,1]=4 4087 B8R0.34 CCC(F)(F)CC(=O)O MCULE-6139996682 [0,2,0,0,0,0|1,0,0]=3 4088 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [0,2,0,0,0,0|2,0,0]=4 4089 B8R0.34 CNS(=O)(=O)CC(=O)O MCULE-3154336304 [0,2,0,0,0,0|2,0,0]=4 4090 B8R0.34 COC(C)(C)CC(=O)C MCULE-7283878436 [0,2,0,0,0,0|1,0,0]=3 4091 B8R0.34 COC(C)(C)CC(=O)O MCULE-3953307849 [0,2,0,0,0,0|0,0,0]=2 4092 B8R0.34 COC(C)(C)CC(C)O MCULE-8363298229 [0,2,0,0,0,0|1,0,1]=4 4093 B8R0.34 COP(=O)(C)OC(C)C MCULE-6197542101 [0,2,0,0,0,0|2,0,0]=4 4094 B8R0.34 CSC(C)(C)CC(=O)C MCULE-8630996828 [0,2,0,0,0,0|1,0,0]=3 4095 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [0,2,0,0,0,0|1,0,0]=3 4096 B8R0.27 C(N)(C(=O)O)C(C)(C)S MCULE-1893345960 [0,2,0,0,0,0|0,0,0]=2 4097 B8R0.27 C=C(C(=O)O)C(C)(C)C MCULE-7253303469 [0,2,0,0,0,0|0,0,1]=3 4098 B8R0.27 CC(=O)[C@@H](N)C(C)(C)C MCULE-9412848571 [0,2,0,0,0,0|1,0,0]=3 4099 B8R0.27 CC(C(=O)O)C(C)(C)C MCULE-5931607530 [0,2,0,0,0,0|0,0,0]=2 4100 B8R0.27 CC(C(=O)O)C(C)(F)F MCULE-3134887311 [0,2,0,0,0,0|1,0,0]=3 4101 B8R0.27 CC(C(=O)O)C(F)(F)F MCULE-9928416670 [0,2,0,0,0,0|2,0,0]=4 4102 B8R0.27 CC(C(=O)O)S(=O)(=O)C MCULE-7357476405 [0,2,0,0,0,0|2,0,0]=4 4103 B8R0.27 CC(C)(Br)C(Br)C(=O)O MCULE-2600237498 [0,2,0,0,0,0|0,0,0]=2 4104 B8R0.27 CC(C)(C)C(=O)C(=O)O MCULE-2891266778 [0,2,0,0,0,0|0,0,1]=3 4105 B8R0.27 CC(C)(C)C(Br)C(=O)O MCULE-3140400663 [0,2,0,0,0,0|0,0,0]=2 4106 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-3894112806 [0,2,0,0,0,0|1,0,0]=3 4107 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7020753722 [0,2,0,0,0,0|1,0,0]=3 4108 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7146166501 [0,2,0,0,0,0|1,0,0]=3 4109 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7871694729 [0,2,0,0,0,0|1,0,0]=3 4110 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-4378220677 [0,2,0,0,0,0|0,0,0]=2 4111 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-7142182400 [0,2,0,0,0,0|0,0,0]=2 4112 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-9877941557 [0,2,0,0,0,0|0,0,0]=2 4113 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-2831225594 [0,2,0,0,0,0|0,0,0]=2 4114 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-6241480954 [0,2,0,0,0,0|0,0,0]=2 4115 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N MCULE-9445074583 [0,2,0,0,0,0|1,0,0]=3 4116 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-1280092872 [0,2,0,0,0,0|0,0,0]=2 4117 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-8741274445 [0,2,0,0,0,0|0,0,0]=2 4118 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-9585981018 [0,2,0,0,0,0|0,0,0]=2 4119 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-4712331175 [0,2,0,0,0,0|0,0,0]=2 4120 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-9440383034 [0,2,0,0,0,0|0,0,0]=2 4121 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O MCULE-3604683063 [0,2,0,0,0,0|0,0,0]=2 4122 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-2483407443 [0,2,0,0,0,0|1,0,0]=3 4123 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-4654034585 [0,2,0,0,0,0|1,0,0]=3 4124 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-9173080997 [0,2,0,0,0,0|1,0,0]=3 4125 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-9398616649 [0,2,0,0,0,0|1,0,0]=3 4126 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-2361901374 [0,2,0,0,0,0|0,0,0]=2 4127 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-7700637346 [0,2,0,0,0,0|0,0,0]=2 4128 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8028056550 [0,2,0,0,0,0|0,0,0]=2 4129 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8791211435 [0,2,0,0,0,0|0,0,0]=2 4130 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-4165755614 [0,2,0,0,0,0|0,0,0]=2 4131 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-6845662197 [0,2,0,0,0,0|0,0,0]=2 4132 B8R0.27 CC(C)(F)C(Br)C(=O)O MCULE-8601470705 [0,2,0,0,0,0|0,0,0]=2 4133 B8R0.27 CC(C)(F)C(N)C(=O)O MCULE-3479476353 [0,2,0,0,0,0|0,0,0]=2 4134 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-4975554837 [0,2,0,0,0,0|0,0,0]=2 4135 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-6202392495 [0,2,0,0,0,0|0,0,0]=2 4136 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [0,2,0,0,0,0|0,0,0]=2 4137 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [0,2,0,0,0,0|0,0,0]=2 4138 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [0,2,0,0,0,0|0,0,0]=2 4139 B8R0.27 CC(C)(O)C(O)C(=O)O MCULE-2030710507 [0,2,0,0,0,0|0,0,0]=2 4140 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [0,2,0,0,0,0|0,0,0]=2 4141 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [0,2,0,0,0,0|0,0,0]=2 4142 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [0,2,0,0,0,0|0,0,0]=2 4143 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [0,2,0,0,0,0|0,0,0]=2 4144 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [0,2,0,0,0,0|0,0,0]=2 4145 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-4184299411 [0,2,0,0,0,0|0,0,0]=2 4146 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-8542176080 [0,2,0,0,0,0|0,0,0]=2 4147 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-5986342172 [0,2,0,0,0,0|0,0,0]=2 4148 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-9856748563 [0,2,0,0,0,0|0,0,0]=2 4149 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-3098543641 [0,2,0,0,0,0|0,0,0]=2 4150 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-9539588985 [0,2,0,0,0,0|0,0,0]=2 4151 B8R0.27 CC(C)C(C)S(=O)(=O)Cl MCULE-2559726873 [0,2,0,0,0,0|1,0,1]=4 4152 B8R0.27 CC(C)C(N)S(=O)(=O)O MCULE-1741232006 [0,2,0,0,0,0|1,0,0]=3 4153 B8R0.27 CC(C)C(O)S(=O)(=O)O MCULE-5782226558 [0,2,0,0,0,0|1,0,0]=3 4154 B8R0.27 CC(C)C(O)S(=O)(=O)[O-] MCULE-8826899764 [0,2,0,0,0,0|1,0,1]=4 4155 B8R0.27 CC(C)[C@H](N)C(C)(C)O MCULE-2380720216 [0,2,0,0,0,0|1,0,1]=4 4156 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-1789483909 [0,2,0,0,0,0|1,0,0]=3 4157 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-3186979989 [0,2,0,0,0,0|1,0,0]=3 4158 B8R0.27 CN(C(=O)Cl)C(C)(C)C MCULE-3673086279 [0,2,0,0,0,0|2,0,0]=4 4159 B8R0.27 CP(=O)(C)C(O)C(=O)O MCULE-6921301874 [0,2,0,0,0,0|1,0,0]=3 4160 B8R0.27 C[C@@H](C(=O)O)C(F)(F)F MCULE-3170977195 [0,2,0,0,0,0|2,0,0]=4 4161 B8R0.27 C[C@@H](C(=O)[O-])[N+](C)(C)C MCULE-7808968396 [0,2,0,0,0,0|1,0,1]=4 4162 B8R0.27 C[C@@H](O)[C@@H](N)C(C)(C)C MCULE-3406515694 [0,2,0,0,0,0|1,0,1]=4 4163 B8R0.27 NC(C(=O)O)C(F)(F)F MCULE-3733724676 [0,2,0,0,0,0|2,0,0]=4 4164 B8R0.27 NC(C(=O)O)C(F)(F)F MCULE-4711987697 [0,2,0,0,0,0|2,0,0]=4 4165 B8R0.27 N[C@@H](C(=O)O)C(F)(F)F MCULE-8591691301 [0,2,0,0,0,0|2,0,0]=4 4166 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-3358276371 [0,2,0,0,0,0|2,0,0]=4 4167 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-4061030354 [0,2,0,0,0,0|2,0,0]=4 4168 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-4421291156 [0,2,0,0,0,0|2,0,0]=4 4169 B8R0.27 N[C@H](C(=O)O)C(F)(F)F MCULE-8051017113 [0,2,0,0,0,0|2,0,0]=4 4170 B8R0.27 O=C(O)C(Br)C(F)(F)F MCULE-5765432445 [0,2,0,0,0,0|2,0,0]=4 4171 B8R0.27 O=C(O)C(F)C(F)(F)F MCULE-3653113674 [0,2,0,0,0,0|2,0,0]=4 4172 B8R0.27 O=C(O)C(O)C(F)(F)F MCULE-5680860171 [0,2,0,0,0,0|2,0,0]=4 4173 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F MCULE-6359246138 [0,2,0,0,0,0|2,0,0]=4 4174 B8R0.27 O=C(O)[C@@H](O)C(F)(F)F MCULE-6583810105 [0,2,0,0,0,0|2,0,0]=4 4175 B8R0.27 O=C(O)[C@H](O)C(F)(F)F MCULE-7803397404 [0,2,0,0,0,0|2,0,0]=4 4176 B8R0.27 O=C(O)[C@H](O)C(F)(F)F MCULE-9794017640 [0,2,0,0,0,0|2,0,0]=4 4177 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [0,2,0,0,0,0|0,0,0]=2 4178 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S MCULE-5559697921 [0,2,0,0,0,0|0,0,0]=2 4179 B8R0.33 CC(C)(C)CC(C)(C)O MCULE-3108921957 [0,2,0,0,0,0|1,0,1]=4 4180 B8R0.33 CC(C)(C)CS(=O)(=O)Cl MCULE-5098421621 [0,2,0,0,0,0|1,0,1]=4 4181 B8R0.33 CC(C)(C)CS(=O)(=O)N MCULE-1071991456 [0,2,0,0,0,0|1,0,1]=4 4182 B8R0.33 CC(C)(N)CC(C)(C)O MCULE-6366549148 [0,2,0,0,0,0|1,0,1]=4 4183 B8R0.33 CC(C)(N)CS(=O)(=O)C MCULE-2223231941 [0,2,0,0,0,0|1,0,1]=4 4184 B8R0.33 CC(C)(N)CS(=O)(=O)C MCULE-6572108660 [0,2,0,0,0,0|1,0,1]=4 4185 B8R0.33 CC(C)(N)OP(=O)(O)O MCULE-1214375295 [0,2,0,0,0,0|2,0,0]=4 4186 B8R0.33 CC(C)(O)CC(C)(C)O MCULE-6542210338 [0,2,0,0,0,0|1,0,1]=4 4187 B8R0.18 CC(=C(C#N)C(=O)O)C MCULE-7102466999 [0,2,0,0,0,0|0,0,2]=4 4188 B8R0.18 CC(=O)C(=NO)C(C)C MCULE-2066689265 [0,2,0,0,0,0|1,0,1]=4 4189 B8R0.18 CC(=O)C(C#N)C(C)C MCULE-2400075763 [0,2,0,0,0,0|1,0,0]=3 4190 B8R0.18 CC(C)C(CN)C(=O)O MCULE-4117902081 [0,2,0,0,0,0|0,0,0]=2 4191 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7615812755 [0,2,0,0,0,0|0,0,0]=2 4192 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7742033605 [0,2,0,0,0,0|0,0,0]=2 4193 B8R0.18 CC(C)C(CO)C(=O)O MCULE-3554430088 [0,2,0,0,0,0|0,0,0]=2 4194 B8R0.18 CC(C)C(CO)C(=O)[O-] MCULE-8769338268 [0,2,0,0,0,0|0,0,1]=3 4195 B8R0.18 CC(C)C(NN)C(=O)O MCULE-5064228794 [0,2,0,0,0,0|0,0,0]=2 4196 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-1192054373 [0,2,0,0,0,0|0,0,0]=2 4197 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-3040043200 [0,2,0,0,0,0|0,0,0]=2 4198 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-4353846755 [0,2,0,0,0,0|0,0,0]=2 4199 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-6762829521 [0,2,0,0,0,0|0,0,0]=2 4200 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4384560751 [0,2,0,0,0,0|0,0,0]=2 4201 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4859224613 [0,2,0,0,0,0|0,0,0]=2 4202 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4974717674 [0,2,0,0,0,0|0,0,0]=2 4203 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-7170111497 [0,2,0,0,0,0|0,0,0]=2 4204 B8R0.18 CC(C)[C@H](NO)C(=O)O MCULE-4203177410 [0,2,0,0,0,0|0,0,0]=2 4205 B8R0.18 CCC(C(=O)C)C(C)C MCULE-3028115393 [0,2,0,0,0,0|1,0,0]=3 4206 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [0,2,0,0,0,0|0,0,0]=2 4207 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,2,0,0,0,0|1,0,0]=3 4208 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [0,2,0,0,0,0|1,0,0]=3 4209 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [0,2,0,0,0,0|1,0,0]=3 4210 B8R0.18 CCN(C(=O)Cl)C(C)C MCULE-4651804534 [0,2,0,0,0,0|2,0,0]=4 4211 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [0,2,0,0,0,0|1,0,0]=3 4212 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [0,2,0,0,0,0|1,0,0]=3 4213 B8R0.18 CN(C)C(CN)C(=O)O MCULE-6449978430 [0,2,0,0,0,0|1,0,0]=3 4214 B8R0.18 CNC(C(=O)C)C(C)C MCULE-7800115305 [0,2,0,0,0,0|1,0,0]=3 4215 B8R0.18 CNC(C(=O)C)C(C)C MCULE-7817785327 [0,2,0,0,0,0|1,0,0]=3 4216 B8R0.18 CNC(C(=O)O)C(C)C MCULE-2983512448 [0,2,0,0,0,0|0,0,0]=2 4217 B8R0.18 CNC(C(=O)O)C(C)C MCULE-5377326864 [0,2,0,0,0,0|0,0,0]=2 4218 B8R0.18 CNC(C(=O)O)C(C)C MCULE-7319327975 [0,2,0,0,0,0|0,0,0]=2 4219 B8R0.18 CNC(C(=O)O)C(C)O MCULE-8017224741 [0,2,0,0,0,0|1,0,0]=3 4220 B8R0.18 CN[C@@H](C(=O)N)C(C)C MCULE-3721439514 [0,2,0,0,0,0|1,0,0]=3 4221 B8R0.18 CN[C@@H](C(=O)N)C(C)C MCULE-9356028516 [0,2,0,0,0,0|1,0,0]=3 4222 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4099145544 [0,2,0,0,0,0|0,0,0]=2 4223 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4380404369 [0,2,0,0,0,0|0,0,0]=2 4224 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9367123188 [0,2,0,0,0,0|0,0,0]=2 4225 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9706333586 [0,2,0,0,0,0|0,0,0]=2 4226 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5443567819 [0,2,0,0,0,0|0,0,0]=2 4227 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5552228182 [0,2,0,0,0,0|0,0,0]=2 4228 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5767489702 [0,2,0,0,0,0|0,0,0]=2 4229 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-8822349419 [0,2,0,0,0,0|0,0,0]=2 4230 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-5405618703 [0,2,0,0,0,0|1,0,0]=3 4231 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-6470355986 [0,2,0,0,0,0|1,0,0]=3 4232 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7261692258 [0,2,0,0,0,0|1,0,0]=3 4233 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7763091319 [0,2,0,0,0,0|1,0,0]=3 4234 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-8429501411 [0,2,0,0,0,0|1,0,0]=3 4235 B8R0.18 COC(C(=O)O)C(C)Br MCULE-9261088290 [0,2,0,0,0,0|1,0,0]=3 4236 B8R0.18 COC(C(=O)O)C(C)C MCULE-4922461673 [0,2,0,0,0,0|0,0,0]=2 4237 B8R0.18 COC(C(=O)O)C(C)C MCULE-6661618070 [0,2,0,0,0,0|0,0,0]=2 4238 B8R0.18 COC(C(=O)O)C(C)N MCULE-5882264486 [0,2,0,0,0,0|1,0,0]=3 4239 B8R0.18 CO[C@@H](C(=O)O)C(C)C MCULE-1619707717 [0,2,0,0,0,0|0,0,0]=2 4240 B8R0.18 CO[C@H](C(=O)O)C(C)C MCULE-2291773409 [0,2,0,0,0,0|0,0,0]=2 4241 B8R0.18 CSC(C(=O)O)C(C)C MCULE-9613087260 [0,2,0,0,0,0|0,0,0]=2 4242 B8R0.37 C=C(C)C(C)(C)C(=O)O MCULE-2186408605 [0,2,0,0,0,0|0,0,2]=4 4243 B8R0.37 C=C(C)C(C)(O)C(C)C MCULE-7276818888 [0,2,0,0,0,0|2,0,0]=4 4244 B8R0.37 CC(=O)C(C)(C)C(=O)O MCULE-5093326895 [0,2,0,0,0,0|1,0,1]=4 4245 B8R0.37 CC(Br)C(C)(Br)C(=O)O MCULE-4288495047 [0,2,0,0,0,0|1,0,0]=3 4246 B8R0.37 CC(C)(C(=O)O)C(F)F MCULE-4082438822 [0,2,0,0,0,0|2,0,0]=4 4247 B8R0.37 CC(C)C(C)(C)C(=O)O MCULE-8335448418 [0,2,0,0,0,0|0,0,0]=2 4248 B8R0.37 CC(C)C(C)(N)C(=O)N MCULE-6386036357 [0,2,0,0,0,0|1,0,0]=3 4249 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-2018617657 [0,2,0,0,0,0|0,0,0]=2 4250 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-8116018936 [0,2,0,0,0,0|0,0,0]=2 4251 B8R0.37 CC(C)C(C)(O)C(=O)O MCULE-3909217790 [0,2,0,0,0,0|0,0,0]=2 4252 B8R0.37 CC(C)C(F)(F)C(=O)O MCULE-2732318443 [0,2,0,0,0,0|0,0,0]=2 4253 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-1672449529 [0,2,0,0,0,0|0,0,0]=2 4254 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-5333264309 [0,2,0,0,0,0|0,0,0]=2 4255 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-3942243398 [0,2,0,0,0,0|0,0,0]=2 4256 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-5291448404 [0,2,0,0,0,0|0,0,0]=2 4257 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-4369218088 [0,2,0,0,0,0|1,0,0]=3 4258 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-9651473536 [0,2,0,0,0,0|1,0,0]=3 4259 B8R0.37 CC(O)(C(=O)O)C(F)F MCULE-8638068323 [0,2,0,0,0,0|2,0,0]=4 4260 B8R0.37 CC(O)C(C)(N)C(=O)O MCULE-9781647782 [0,2,0,0,0,0|1,0,0]=3 4261 B8R0.37 CC(O)C(C)(O)C(=O)O MCULE-5546110054 [0,2,0,0,0,0|1,0,0]=3 4262 B8R0.37 CC(O)C(F)(F)C(=O)O MCULE-8714570962 [0,2,0,0,0,0|1,0,0]=3 4263 B8R0.37 CN(C)C(C)(C)C(=O)N MCULE-6674001349 [0,2,0,0,0,0|2,0,0]=4 4264 B8R0.37 CN(C)C(C)(C)C(=O)O MCULE-8408889105 [0,2,0,0,0,0|1,0,0]=3 4265 B8R0.37 CN(C)C(C)(C)C(=O)O MCULE-9860731659 [0,2,0,0,0,0|1,0,0]=3 4266 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-4212497890 [0,2,0,0,0,0|1,0,0]=3 4267 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-7382680634 [0,2,0,0,0,0|1,0,0]=3 4268 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O MCULE-5661079280 [0,2,0,0,0,0|1,0,0]=3 4269 B8R0.37 O=C(O)C(F)(F)C(F)Br MCULE-1128175847 [0,2,0,0,0,0|2,0,0]=4 4270 B8R0.37 O=C(O)C(F)(F)C(F)F MCULE-7798040617 [0,2,0,0,0,0|2,0,0]=4 4271 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [1,0,0,1,0,0|2,0,0]=4 4272 B6R1.2 BrC1CC=CC1 MCULE-8834603275 [1,0,0,1,0,0|2,0,0]=4 4273 B6R1.2 BrC1CCOC1 MCULE-7037144528 [1,0,0,1,0,0|1,0,1]=4 4274 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [1,0,0,1,0,0|1,0,1]=4 4275 B6R1.2 C1(CCNC1)C MCULE-2542646403 [1,0,0,1,0,0|1,0,1]=4 4276 B6R1.2 C1(CCNC1)C MCULE-4538835016 [1,0,0,1,0,0|1,0,1]=4 4277 B6R1.2 C1(CCOC1)I MCULE-4877322062 [1,0,0,1,0,0|1,0,1]=4 4278 B6R1.2 C1(CCOC1)N MCULE-2221007915 [1,0,0,1,0,0|1,0,1]=4 4279 B6R1.2 C1(CCOC1)N MCULE-3972931474 [1,0,0,1,0,0|1,0,1]=4 4280 B6R1.2 C1(CCOC1)O MCULE-3631749536 [1,0,0,1,0,0|1,0,1]=4 4281 B6R1.2 C=C1CCCC1 MCULE-4115373196 [1,0,0,1,0,0|2,0,0]=4 4282 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,1,0,0|2,0,0]=4 4283 B6R1.2 CC1=CCCO1 MCULE-7276659214 [1,0,0,1,0,0|1,0,1]=4 4284 B6R1.2 CC1=NCCC1 MCULE-5009170423 [1,0,0,1,0,0|2,0,0]=4 4285 B6R1.2 CC1=NCCO1 MCULE-8564633040 [1,0,0,1,0,0|2,0,0]=4 4286 B6R1.2 CC1C=CCC1 MCULE-1638534048 [1,0,0,1,0,0|1,0,1]=4 4287 B6R1.2 CC1CCCC1 MCULE-4702116068 [1,0,0,1,0,0|1,0,1]=4 4288 B6R1.2 CC1CCCO1 MCULE-2526138687 [1,0,0,1,0,0|1,0,1]=4 4289 B6R1.2 CC1CCNC1 MCULE-6494098173 [1,0,0,1,0,0|1,0,1]=4 4290 B6R1.2 CC1CCNC1 MCULE-8260364514 [1,0,0,1,0,0|1,0,1]=4 4291 B6R1.2 CC1CCOC1 MCULE-6424683416 [1,0,0,1,0,0|0,0,1]=3 4292 B6R1.2 CC1CCSC1 MCULE-7445511318 [1,0,0,1,0,0|0,1,1]=4 4293 B6R1.2 CC1CNOC1 MCULE-1071803164 [1,0,0,1,0,0|1,0,0]=3 4294 B6R1.2 CC1CNOC1 MCULE-9455391174 [1,0,0,1,0,0|1,0,0]=3 4295 B6R1.2 CC1COCO1 MCULE-9332316279 [1,0,0,1,0,0|1,0,1]=4 4296 B6R1.2 CN1CC=CC1 MCULE-2586884916 [1,0,0,1,0,0|2,0,0]=4 4297 B6R1.2 CN1CCOC1 MCULE-5504672404 [1,0,0,1,0,0|1,0,1]=4 4298 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [1,0,0,1,0,0|1,0,1]=4 4299 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [1,0,0,1,0,0|1,0,1]=4 4300 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [1,0,0,1,0,0|1,0,1]=4 4301 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [1,0,0,1,0,0|1,0,1]=4 4302 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [1,0,0,1,0,0|1,0,1]=4 4303 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [1,0,0,1,0,0|1,0,1]=4 4304 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [1,0,0,1,0,0|1,0,1]=4 4305 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [1,0,0,1,0,0|1,0,1]=4 4306 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [1,0,0,1,0,0|2,0,0]=4 4307 B6R1.2 ClC1CCOC1 MCULE-6903762147 [1,0,0,1,0,0|1,0,1]=4 4308 B6R1.2 FC1CNOC1 MCULE-4837734523 [1,0,0,1,0,0|2,0,0]=4 4309 B6R1.2 FC1CNOC1 MCULE-6176254900 [1,0,0,1,0,0|2,0,0]=4 4310 B6R1.2 IC1=CCCC1 MCULE-5953451970 [1,0,0,1,0,0|2,0,0]=4 4311 B6R1.2 IC1CCOC1 MCULE-1379775972 [1,0,0,1,0,0|1,0,1]=4 4312 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [1,0,0,1,0,0|1,0,1]=4 4313 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [1,0,0,1,0,0|1,0,1]=4 4314 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [1,0,0,1,0,0|1,0,1]=4 4315 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [1,0,0,1,0,0|1,0,1]=4 4316 B6R1.2 N=C1CCCS1 MCULE-4228855265 [1,0,0,1,0,0|1,1,0]=4 4317 B6R1.2 N=C1CCCS1 MCULE-7496124035 [1,0,0,1,0,0|1,1,0]=4 4318 B6R1.2 NC1=NCCC1 MCULE-6089369366 [1,0,0,1,0,0|2,0,0]=4 4319 B6R1.2 NC1=NCCC1 MCULE-8979618464 [1,0,0,1,0,0|2,0,0]=4 4320 B6R1.2 NC1=NCCO1 MCULE-1257431295 [1,0,0,1,0,0|2,0,0]=4 4321 B6R1.2 NC1=NCCO1 MCULE-9912511107 [1,0,0,1,0,0|2,0,0]=4 4322 B6R1.2 NC1CC=CC1 MCULE-3815719332 [1,0,0,1,0,0|2,0,0]=4 4323 B6R1.2 NC1CC=CC1 MCULE-9984030144 [1,0,0,1,0,0|2,0,0]=4 4324 B6R1.2 NC1CCOC1 MCULE-1276945018 [1,0,0,1,0,0|1,0,1]=4 4325 B6R1.2 NC1CCOC1 MCULE-8146259495 [1,0,0,1,0,0|1,0,1]=4 4326 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [1,0,0,1,0,0|1,0,1]=4 4327 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [1,0,0,1,0,0|1,0,1]=4 4328 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [1,0,0,1,0,0|1,0,1]=4 4329 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [1,0,0,1,0,0|1,0,1]=4 4330 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [1,0,0,1,0,0|1,0,1]=4 4331 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [1,0,0,1,0,0|1,0,1]=4 4332 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [1,0,0,1,0,0|1,0,1]=4 4333 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [1,0,0,1,0,0|1,0,1]=4 4334 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,1,0,0|1,0,1]=4 4335 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,1,0,0|0,0,2]=4 4336 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,1,0,0|1,0,0]=3 4337 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,1,0,0|1,0,0]=3 4338 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|0,0,0]=2 4339 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,1,0,0|0,1,0]=3 4340 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|2,0,0]=4 4341 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|2,0,0]=4 4342 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,1,0,0|2,0,0]=4 4343 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,1,0,0|2,0,0]=4 4344 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,1,0,0|2,0,0]=4 4345 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,1,0,0|2,0,0]=4 4346 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,1,0,0|2,0,0]=4 4347 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,1,0,0|2,0,0]=4 4348 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,1,0,0|2,0,0]=4 4349 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,1,0,0|2,0,0]=4 4350 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,1,0,0|2,0,0]=4 4351 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|1,0,0]=3 4352 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,1,0,0|1,1,0]=4 4353 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,1,0,0|1,0,0]=3 4354 B6R1.2 O=S1CCCC1 MCULE-2442126780 [1,0,0,1,0,0|2,0,0]=4 4355 B6R1.2 O=S1OCCO1 MCULE-5773173321 [1,0,0,1,0,0|2,0,0]=4 4356 B6R1.2 OC1CC=CC1 MCULE-6176562196 [1,0,0,1,0,0|2,0,0]=4 4357 B6R1.2 OC1CCCC1 MCULE-1758440264 [1,0,0,1,0,0|1,0,1]=4 4358 B6R1.2 OC1CCCN1 MCULE-4787168972 [1,0,0,1,0,0|1,0,1]=4 4359 B6R1.2 OC1CCCO1 MCULE-9632627344 [1,0,0,1,0,0|0,0,2]=4 4360 B6R1.2 OC1CCOC1 MCULE-4469581028 [1,0,0,1,0,0|1,0,1]=4 4361 B6R1.2 OC1CNOC1 MCULE-3414700581 [1,0,0,1,0,0|2,0,0]=4 4362 B6R1.2 OC1CNOC1 MCULE-8163403090 [1,0,0,1,0,0|2,0,0]=4 4363 B6R1.2 OC1CNOC1 MCULE-8644852072 [1,0,0,1,0,0|2,0,0]=4 4364 B6R1.2 OC1C[NH2+]OC1 MCULE-7865131527 [1,0,0,1,0,0|2,0,0]=4 4365 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [1,0,0,1,0,0|1,0,1]=4 4366 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [1,0,0,1,0,0|1,0,1]=4 4367 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [1,0,0,1,0,0|1,0,1]=4 4368 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [1,0,0,1,0,0|2,0,0]=4 4369 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [1,0,0,1,0,0|2,0,0]=4 4370 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [1,0,0,1,0,0|2,0,0]=4 4371 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [1,0,0,1,0,0|2,0,0]=4 4372 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [1,0,0,1,0,0|1,0,1]=4 4373 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [1,0,0,1,0,0|1,0,1]=4 4374 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [1,0,0,1,0,0|2,0,0]=4 4375 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [1,0,0,1,0,0|2,0,0]=4 4376 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [1,0,0,1,0,0|2,0,0]=4 4377 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [1,0,0,1,0,0|2,0,0]=4 4378 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [1,0,0,1,0,0|2,0,0]=4 4379 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,1,0,0|1,1,0]=4 4380 B6R1.2 SC1=NCCO1 MCULE-6684545723 [1,0,0,1,0,0|1,1,0]=4 4381 B6R1.2 SC1CCOC1 MCULE-9247906418 [1,0,0,1,0,0|1,0,1]=4 4382 B6R1.3 Br/C=C/C1CC1 MCULE-8231904960 [1,0,0,1,0,0|1,0,1]=4 4383 B6R1.3 BrC=CC1CC1 MCULE-7061395349 [1,0,0,1,0,0|1,0,1]=4 4384 B6R1.3 BrCCC1CC1 MCULE-3454213225 [1,0,0,1,0,0|1,0,1]=4 4385 B6R1.3 C#CCC1CC1 MCULE-4980990503 [1,0,0,1,0,0|1,0,1]=4 4386 B6R1.3 CCCC1CO1 MCULE-5080039224 [1,0,0,1,0,0|1,0,1]=4 4387 B6R1.3 CCC[C@@H]1CO1 MCULE-1815222100 [1,0,0,1,0,0|1,0,1]=4 4388 B6R1.3 CCC[C@H]1CO1 MCULE-9952368131 [1,0,0,1,0,0|1,0,1]=4 4389 B6R1.3 CNCC1CC1 MCULE-4410938050 [1,0,0,1,0,0|2,0,0]=4 4390 B6R1.3 CNCC1CC1 MCULE-6365201280 [1,0,0,1,0,0|2,0,0]=4 4391 B6R1.3 ClCCC1CC1 MCULE-5665496795 [1,0,0,1,0,0|1,0,1]=4 4392 B6R1.3 ICCC1CC1 MCULE-5518738700 [1,0,0,1,0,0|1,0,1]=4 4393 B6R1.3 N#CCC1CC1 MCULE-4951047709 [1,0,0,1,0,0|1,0,1]=4 4394 B6R1.3 NCCC1CC1 MCULE-8459735325 [1,0,0,1,0,0|1,0,1]=4 4395 B6R1.3 NCCC1CC1 MCULE-9646218986 [1,0,0,1,0,0|1,0,1]=4 4396 B6R1.3 NNCC1CC1 MCULE-4020404918 [1,0,0,1,0,0|2,0,0]=4 4397 B6R1.3 NNCC1CC1 MCULE-7742306770 [1,0,0,1,0,0|2,0,0]=4 4398 B6R1.3 NNCC1CC1 MCULE-8978618772 [1,0,0,1,0,0|2,0,0]=4 4399 B6R1.3 NOCC1CC1 MCULE-3594146552 [1,0,0,1,0,0|2,0,0]=4 4400 B6R1.3 NOCC1CC1 MCULE-7376211865 [1,0,0,1,0,0|2,0,0]=4 4401 B6R1.3 O=C=NC1CC1 MCULE-8769435962 [1,0,0,1,0,0|1,0,1]=4 4402 B6R1.3 O=CCC1CC1 MCULE-3319649937 [1,0,0,1,0,0|0,0,0]=2 4403 B6R1.3 O=CNC1CC1 MCULE-6602451187 [1,0,0,1,0,0|1,0,0]=3 4404 B6R1.3 OCCC1CC1 MCULE-1360348684 [1,0,0,1,0,0|0,0,1]=3 4405 B6R1.3 OCCC1CO1 MCULE-6523000607 [1,0,0,1,0,0|1,0,1]=4 4406 B6R1.3 OCCN1CC1 MCULE-3845187783 [1,0,0,1,0,0|1,0,1]=4 4407 B6R1.3 OCC[C@@H]1CO1 MCULE-4797533590 [1,0,0,1,0,0|1,0,1]=4 4408 B6R1.3 OCC[C@@H]1CO1 MCULE-6833850805 [1,0,0,1,0,0|1,0,1]=4 4409 B6R1.3 OCC[C@H]1CO1 MCULE-3560802495 [1,0,0,1,0,0|1,0,1]=4 4410 B6R1.3 OCC[C@H]1CO1 MCULE-8738926598 [1,0,0,1,0,0|1,0,1]=4 4411 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [1,0,0,1,0,0|0,0,2]=4 4412 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [1,0,0,1,0,0|2,0,0]=4 4413 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [1,0,0,1,0,0|2,0,0]=4 4414 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [1,0,0,1,0,0|0,0,0]=2 4415 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [1,0,0,1,0,0|1,0,0]=3 4416 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|0,0,0]=2 4417 B6R1.5 CC1CC(C1)N MCULE-5323299846 [1,0,0,1,0,0|1,0,1]=4 4418 B6R1.5 CC1CC(C1)N MCULE-9940885824 [1,0,0,1,0,0|1,0,1]=4 4419 B6R1.5 CC1CC(C1)O MCULE-8612661286 [1,0,0,1,0,0|0,0,1]=3 4420 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [1,0,0,1,0,0|1,0,0]=3 4421 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [1,0,0,1,0,0|1,0,0]=3 4422 B6R1.5 CN1CC(C1)O MCULE-2897194266 [1,0,0,1,0,0|1,0,1]=4 4423 B6R1.5 CN1CC(C1)O MCULE-3717153558 [1,0,0,1,0,0|1,0,1]=4 4424 B6R1.5 CN1CC(C1)O MCULE-7229396078 [1,0,0,1,0,0|1,0,1]=4 4425 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|0,0,0]=2 4426 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-1535311916 [1,0,0,1,0,0|1,0,1]=4 4427 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-2831484375 [1,0,0,1,0,0|1,0,1]=4 4428 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-7323273959 [1,0,0,1,0,0|1,0,1]=4 4429 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-9517005721 [1,0,0,1,0,0|1,0,1]=4 4430 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [1,0,0,1,0,0|0,0,1]=3 4431 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|1,0,0]=3 4432 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|1,0,0]=3 4433 B6R1.5 NC1CC(C1)O MCULE-3800806511 [1,0,0,1,0,0|1,0,1]=4 4434 B6R1.5 NC1CC(C1)O MCULE-4101412744 [1,0,0,1,0,0|1,0,1]=4 4435 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [1,0,0,1,0,0|1,0,1]=4 4436 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [1,0,0,1,0,0|1,0,1]=4 4437 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [1,0,0,1,0,0|1,0,1]=4 4438 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [1,0,0,1,0,0|1,0,1]=4 4439 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [1,0,0,1,0,0|1,0,0]=3 4440 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [1,0,0,1,0,0|1,0,0]=3 4441 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [1,0,0,1,0,0|1,0,0]=3 4442 B6R1.5 OC1CC(C1)Br MCULE-8550195809 [1,0,0,1,0,0|1,0,1]=4 4443 B6R1.5 OC1CC(C1)F MCULE-7130501241 [1,0,0,1,0,0|1,0,1]=4 4444 B6R1.5 OC1CC(C1)O MCULE-4391504671 [1,0,0,1,0,0|1,0,1]=4 4445 B6R1.5 O[C@H]1C[C@@H](C1)F MCULE-8960643165 [1,0,0,1,0,0|1,0,1]=4 4446 B6R1.5 O[C@H]1C[C@@H](C1)O MCULE-5524471729 [1,0,0,1,0,0|1,0,1]=4 4447 B6R1.5 O[C@H]1C[C@H](C1)O MCULE-7725166436 [1,0,0,1,0,0|1,0,1]=4 4448 B6R1.5 [C@@H]1(C[C@H](C1)F)O MCULE-5214761916 [1,0,0,1,0,0|1,0,1]=4 4449 B6R1.8 CC1CC1C#N MCULE-4373618430 [1,0,0,1,0,0|1,0,1]=4 4450 B6R1.8 CC1CC1C=O MCULE-2600627355 [1,0,0,1,0,0|0,0,0]=2 4451 B6R1.8 CC1CC1CN MCULE-2810102174 [1,0,0,1,0,0|1,0,1]=4 4452 B6R1.8 CC1CC1CN MCULE-7518062300 [1,0,0,1,0,0|1,0,1]=4 4453 B6R1.8 CC1CC1CO MCULE-5196594569 [1,0,0,1,0,0|0,0,1]=3 4454 B6R1.8 CC1OC1CO MCULE-1680425960 [1,0,0,1,0,0|1,0,1]=4 4455 B6R1.8 C[C@@H]1C[C@@H]1CN MCULE-5971817939 [1,0,0,1,0,0|1,0,1]=4 4456 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [1,0,0,1,0,0|0,0,1]=3 4457 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3418148363 [1,0,0,1,0,0|1,0,1]=4 4458 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3519756910 [1,0,0,1,0,0|1,0,1]=4 4459 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3649923384 [1,0,0,1,0,0|1,0,1]=4 4460 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-8330237030 [1,0,0,1,0,0|1,0,1]=4 4461 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [1,0,0,1,0,0|0,0,1]=3 4462 B6R1.8 C[C@H]1C[C@@H]1CN MCULE-9856477951 [1,0,0,1,0,0|1,0,1]=4 4463 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [1,0,0,1,0,0|0,0,1]=3 4464 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [1,0,0,1,0,0|0,0,1]=3 4465 B6R1.8 C[C@H]1C[C@H]1CN MCULE-4949172422 [1,0,0,1,0,0|1,0,1]=4 4466 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [1,0,0,1,0,0|0,0,1]=3 4467 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [1,0,0,1,0,0|0,0,1]=3 4468 B6R1.8 NC1CC1CO MCULE-7666097515 [1,0,0,1,0,0|1,0,1]=4 4469 B6R1.8 O=CC1CC1Cl MCULE-5539872961 [1,0,0,1,0,0|1,0,0]=3 4470 B6R1.8 OCC1CC1Cl MCULE-1321755136 [1,0,0,1,0,0|1,0,1]=4 4471 B6R1.8 OCC1C[C@@H]1F MCULE-2637570432 [1,0,0,1,0,0|1,0,1]=4 4472 B6R1.8 OC[C@@H]1C[C@@H]1F MCULE-9090620006 [1,0,0,1,0,0|1,0,1]=4 4473 B6R1.8 OC[C@@H]1C[C@H]1Br MCULE-8344332753 [1,0,0,1,0,0|1,0,1]=4 4474 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-6282037947 [1,0,0,1,0,0|1,0,1]=4 4475 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-8944803823 [1,0,0,1,0,0|1,0,1]=4 4476 B6R1.8 OC[C@H]1C[C@@H]1F MCULE-3157094299 [1,0,0,1,0,0|1,0,1]=4 4477 B6R1.9 CC1(CC1Br)C MCULE-4060390279 [1,0,0,1,0,0|1,0,1]=4 4478 B6R1.9 CC1(CC1N)C MCULE-3767513819 [1,0,0,1,0,0|1,0,1]=4 4479 B6R1.9 CC1(CC1N)C MCULE-9259559793 [1,0,0,1,0,0|1,0,1]=4 4480 B6R1.9 CC1(CC1O)C MCULE-2207251369 [1,0,0,1,0,0|0,0,1]=3 4481 B6R1.9 CC1(C[C@@H]1N)C MCULE-8232974349 [1,0,0,1,0,0|1,0,1]=4 4482 B6R1.9 CC1(C[C@@H]1N)C MCULE-9299327749 [1,0,0,1,0,0|1,0,1]=4 4483 B6R1.9 CC1(C[C@H]1N)C MCULE-2015844172 [1,0,0,1,0,0|1,0,1]=4 4484 B6R1.9 CC1(C[C@H]1N)C MCULE-8301129744 [1,0,0,1,0,0|1,0,1]=4 4485 B6R1.10 CC1(CCC1)O MCULE-4021675717 [1,0,0,1,0,0|1,0,1]=4 4486 B6R1.10 CC1(CCN1)C MCULE-2285435720 [1,0,0,1,0,0|1,0,1]=4 4487 B6R1.10 CC1(CCN1)C MCULE-3069932253 [1,0,0,1,0,0|1,0,1]=4 4488 B6R1.10 CC1(CNC1)C MCULE-3517219548 [1,0,0,1,0,0|2,0,0]=4 4489 B6R1.10 CC1(CNC1)C MCULE-5061041754 [1,0,0,1,0,0|2,0,0]=4 4490 B6R1.10 CC1(CNC1)C MCULE-5492476724 [1,0,0,1,0,0|2,0,0]=4 4491 B6R1.10 CC1(COC1)C MCULE-9708520911 [1,0,0,1,0,0|2,0,0]=4 4492 B6R1.10 N=S1(=O)CCC1 MCULE-7690864417 [1,0,0,1,0,0|2,0,0]=4 4493 B6R1.10 O=S1(=O)CCC1 MCULE-7796411172 [1,0,0,1,0,0|1,0,1]=4 4494 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [1,0,0,1,0,0|1,0,0]=3 4495 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,1,0,0|2,0,0]=4 4496 B6R1.11 CC(C)C1CO1 MCULE-6294069717 [1,0,0,1,0,0|0,0,1]=3 4497 B6R1.11 CC(C)[C@@H]1CO1 MCULE-9181831987 [1,0,0,1,0,0|0,0,1]=3 4498 B6R1.11 CC(C)[C@H]1CO1 MCULE-1978831452 [1,0,0,1,0,0|0,0,1]=3 4499 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [1,0,0,1,0,0|1,0,1]=4 4500 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [1,0,0,1,0,0|1,0,1]=4 4501 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [1,0,0,1,0,0|1,0,1]=4 4502 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [1,0,0,1,0,0|1,0,1]=4 4503 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [1,0,0,1,0,0|2,0,0]=4 4504 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [1,0,0,1,0,0|2,0,0]=4 4505 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [1,0,0,1,0,0|1,0,0]=3 4506 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [1,0,0,1,0,0|2,0,0]=4 4507 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [1,0,0,1,0,0|1,1,0]=4 4508 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [1,0,0,1,0,0|1,0,0]=3 4509 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|0,0,0]=2 4510 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|1,0,0]=3 4511 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,1,0,0|1,0,0]=3 4512 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|1,0,0]=3 4513 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|1,0,0]=3 4514 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,1,0,0|1,0,0]=3 4515 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,1,0,0|1,0,0]=3 4516 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [1,0,0,1,0,0|1,0,1]=4 4517 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,1,0,0|1,0,1]=4 4518 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,1,0,0|1,0,1]=4 4519 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,1,0,0|1,0,1]=4 4520 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,1,0,0|1,0,1]=4 4521 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,1,0,0|1,0,1]=4 4522 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,1,0,0|1,0,1]=4 4523 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,1,0,0|1,0,1]=4 4524 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [1,0,0,1,0,0|1,0,0]=3 4525 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [1,0,0,1,0,0|1,0,1]=4 4526 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [1,0,0,1,0,0|1,0,1]=4 4527 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,1,1,0|1,0,0]=3 4528 B6R1.4 CC1CCC1O MCULE-3852133104 [0,0,0,1,1,0|1,0,1]=4 4529 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,1,1,0|1,0,0]=3 4530 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,1,1,0|0,0,0]=2 4531 B6R1.4 CC1OCC1=O MCULE-7718609686 [0,0,0,1,1,0|2,0,0]=4 4532 B6R1.4 NC1CCC1=O MCULE-3868209809 [0,0,0,1,1,0|2,0,0]=4 4533 B6R1.4 NC1CCC1=O MCULE-9741389143 [0,0,0,1,1,0|2,0,0]=4 4534 B6R1.4 NC1CNC1=O MCULE-2761616663 [0,0,0,1,1,0|2,0,0]=4 4535 B6R1.4 NC1CNC1=O MCULE-3021306383 [0,0,0,1,1,0|2,0,0]=4 4536 B6R1.4 NC1CNC1=O MCULE-3943057121 [0,0,0,1,1,0|2,0,0]=4 4537 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,1,1,0|1,0,0]=3 4538 B6R1.4 N[C@@H]1CNC1=O MCULE-3645662662 [0,0,0,1,1,0|2,0,0]=4 4539 B6R1.4 N[C@@H]1CNC1=O MCULE-4399212271 [0,0,0,1,1,0|2,0,0]=4 4540 B6R1.4 N[C@@H]1CNC1=O MCULE-6332076219 [0,0,0,1,1,0|2,0,0]=4 4541 B6R1.4 N[C@@H]1CNC1=O MCULE-6365012530 [0,0,0,1,1,0|2,0,0]=4 4542 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,1,1,0|1,0,0]=3 4543 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,1,1,0|1,0,0]=3 4544 B6R1.4 N[C@H]1CNC1=O MCULE-2792436534 [0,0,0,1,1,0|2,0,0]=4 4545 B6R1.4 N[C@H]1CNC1=O MCULE-6881316562 [0,0,0,1,1,0|2,0,0]=4 4546 B6R1.4 N[C@H]1CNC1=O MCULE-8864053661 [0,0,0,1,1,0|2,0,0]=4 4547 B6R1.4 N[C@H]1CNC1=O MCULE-9014449253 [0,0,0,1,1,0|2,0,0]=4 4548 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,1,1,0|1,0,0]=3 4549 B6R1.4 O=C1CCC1Br MCULE-1088592133 [0,0,0,1,1,0|2,0,0]=4 4550 B6R1.4 O=C1CCC1F MCULE-6197375881 [0,0,0,1,1,0|2,0,0]=4 4551 B6R1.4 O=C1CCC1O MCULE-1248327203 [0,0,0,1,1,0|2,0,0]=4 4552 B6R1.4 O=C1CC[C@@H]1Br MCULE-3455449754 [0,0,0,1,1,0|2,0,0]=4 4553 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,1,1,0|1,0,0]=3 4554 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,0,0,1,0,1|1,0,0]=3 4555 B8R1.3 C=C1CCC(CC1)C MCULE-8335929583 [0,0,0,1,0,1|2,0,0]=4 4556 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,0,0,1,0,1|1,0,1]=4 4557 B8R1.3 CC1C=CC(=O)CC1 MCULE-6972928704 [0,0,0,1,0,1|1,0,1]=4 4558 B8R1.3 CC1CC=C(CC1)Cl MCULE-9255462781 [0,0,0,1,0,1|2,0,0]=4 4559 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,0,0,1,0,1|1,0,0]=3 4560 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,0,0,1,0,1|1,0,0]=3 4561 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,0,0,1,0,1|1,0,0]=3 4562 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,0,0,1,0,1|1,0,0]=3 4563 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,0,0,1,0,1|1,0,0]=3 4564 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,0,0,1,0,1|1,0,0]=3 4565 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,0,0,1,0,1|1,0,0]=3 4566 B8R1.3 CC1CCC(CC1)O MCULE-7501628471 [0,0,0,1,0,1|1,0,1]=4 4567 B8R1.3 CC1CCC(CN1)O MCULE-1965969511 [0,0,0,1,0,1|1,0,1]=4 4568 B8R1.3 CC1CCC(CN1)O MCULE-8922826910 [0,0,0,1,0,1|1,0,1]=4 4569 B8R1.3 CC1CCC(CO1)O MCULE-8416383333 [0,0,0,1,0,1|1,0,1]=4 4570 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,0,0,1,0,1|1,0,0]=3 4571 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,0,0,1,0,1|1,0,0]=3 4572 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,0,0,1,0,1|1,0,0]=3 4573 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,0,0,1,0,1|0,0,0]=2 4574 B8R1.3 CC1COC(CN1)C MCULE-4975068364 [0,0,0,1,0,1|1,0,1]=4 4575 B8R1.3 CC1COC(CN1)C MCULE-6443209935 [0,0,0,1,0,1|1,0,1]=4 4576 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [0,0,0,1,0,1|2,0,0]=4 4577 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [0,0,0,1,0,1|2,0,0]=4 4578 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,0,0,1,0,1|1,0,0]=3 4579 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,0,0,1,0,1|1,0,0]=3 4580 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,0,0,1,0,1|1,0,0]=3 4581 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,0,0,1,0,1|1,0,0]=3 4582 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1181513126 [0,0,0,1,0,1|1,0,1]=4 4583 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-1902739569 [0,0,0,1,0,1|1,0,1]=4 4584 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-4923873245 [0,0,0,1,0,1|1,0,1]=4 4585 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-5091971479 [0,0,0,1,0,1|1,0,1]=4 4586 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-7440788820 [0,0,0,1,0,1|1,0,1]=4 4587 B8R1.3 C[C@@H]1CC[C@@H](CN1)O MCULE-8869692501 [0,0,0,1,0,1|1,0,1]=4 4588 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8099689887 [0,0,0,1,0,1|1,0,1]=4 4589 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-8746216012 [0,0,0,1,0,1|1,0,1]=4 4590 B8R1.3 C[C@@H]1CC[C@H](CN1)O MCULE-9870191339 [0,0,0,1,0,1|1,0,1]=4 4591 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,0,0,1,0,1|1,0,0]=3 4592 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,0,0,1,0,1|1,0,0]=3 4593 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,0,0,1,0,1|1,0,0]=3 4594 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,0,0,1,0,1|1,0,0]=3 4595 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,0,0,1,0,1|1,0,0]=3 4596 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,0,0,1,0,1|1,0,0]=3 4597 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1103945502 [0,0,0,1,0,1|1,0,1]=4 4598 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1391537108 [0,0,0,1,0,1|1,0,1]=4 4599 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-1946095385 [0,0,0,1,0,1|1,0,1]=4 4600 B8R1.3 C[C@@H]1CO[C@@H](CN1)C MCULE-4549349129 [0,0,0,1,0,1|1,0,1]=4 4601 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,0,0,1,0,1|1,0,0]=3 4602 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,0,0,1,0,1|1,0,0]=3 4603 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,0,0,1,0,1|1,0,0]=3 4604 B8R1.3 C[C@H]1CC[C@@H](CC1)O MCULE-9131864343 [0,0,0,1,0,1|1,0,1]=4 4605 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-4342382470 [0,0,0,1,0,1|1,0,1]=4 4606 B8R1.3 C[C@H]1CC[C@@H](CN1)O MCULE-7588845174 [0,0,0,1,0,1|1,0,1]=4 4607 B8R1.3 C[C@H]1CC[C@H](CC1)O MCULE-3495737054 [0,0,0,1,0,1|1,0,1]=4 4608 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1161766631 [0,0,0,1,0,1|1,0,1]=4 4609 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-1646727489 [0,0,0,1,0,1|1,0,1]=4 4610 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-4706855730 [0,0,0,1,0,1|1,0,1]=4 4611 B8R1.3 C[C@H]1CC[C@H](CN1)O MCULE-6031163394 [0,0,0,1,0,1|1,0,1]=4 4612 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,0,0,1,0,1|1,0,0]=3 4613 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,0,0,1,0,1|1,0,0]=3 4614 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,0,0,1,0,1|1,0,0]=3 4615 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,0,0,1,0,1|1,0,0]=3 4616 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,0,0,1,0,1|1,0,0]=3 4617 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,0,0,1,0,1|1,0,0]=3 4618 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-4621250808 [0,0,0,1,0,1|1,0,1]=4 4619 B8R1.3 C[C@H]1CN[C@@H](CO1)C MCULE-7331563103 [0,0,0,1,0,1|1,0,1]=4 4620 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-5045303209 [0,0,0,1,0,1|1,0,1]=4 4621 B8R1.3 C[C@H]1CO[C@@H](CN1)C MCULE-8352332219 [0,0,0,1,0,1|1,0,1]=4 4622 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1410633938 [0,0,0,1,0,1|1,0,1]=4 4623 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-1498993915 [0,0,0,1,0,1|1,0,1]=4 4624 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-3545205619 [0,0,0,1,0,1|1,0,1]=4 4625 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5064602423 [0,0,0,1,0,1|1,0,1]=4 4626 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-5773597642 [0,0,0,1,0,1|1,0,1]=4 4627 B8R1.3 C[C@H]1CO[C@H](CN1)C MCULE-6073716335 [0,0,0,1,0,1|1,0,1]=4 4628 B8R1.3 NC1CCC(=O)CC1 MCULE-5825363145 [0,0,0,1,0,1|2,0,0]=4 4629 B8R1.3 NC1CCC(=O)CC1 MCULE-6212878324 [0,0,0,1,0,1|2,0,0]=4 4630 B8R1.3 NC1CCC(=O)NC1 MCULE-2677675224 [0,0,0,1,0,1|2,0,0]=4 4631 B8R1.3 NC1CCC(=O)NC1 MCULE-8711968877 [0,0,0,1,0,1|2,0,0]=4 4632 B8R1.3 NC1CCC(=O)NC1 MCULE-8915391016 [0,0,0,1,0,1|2,0,0]=4 4633 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-5372893548 [0,0,0,1,0,1|2,0,0]=4 4634 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6411408704 [0,0,0,1,0,1|2,0,0]=4 4635 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-6771263407 [0,0,0,1,0,1|2,0,0]=4 4636 B8R1.3 N[C@@H]1CCC(=O)NC1 MCULE-9035818807 [0,0,0,1,0,1|2,0,0]=4 4637 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-1921494480 [0,0,0,1,0,1|2,0,0]=4 4638 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-4843708987 [0,0,0,1,0,1|2,0,0]=4 4639 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-6599794889 [0,0,0,1,0,1|2,0,0]=4 4640 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-7112568050 [0,0,0,1,0,1|2,0,0]=4 4641 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9053885307 [0,0,0,1,0,1|2,0,0]=4 4642 B8R1.3 N[C@H]1CCC(=O)NC1 MCULE-9780118077 [0,0,0,1,0,1|2,0,0]=4 4643 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,1|1,0,1]=4 4644 B8R1.3 O=C1CCC(CC1)Br MCULE-1177789896 [0,0,0,1,0,1|2,0,0]=4 4645 B8R1.3 O=C1CCC(CC1)Cl MCULE-3647406761 [0,0,0,1,0,1|2,0,0]=4 4646 B8R1.3 O=C1CCC(CC1)F MCULE-5757540710 [0,0,0,1,0,1|2,0,0]=4 4647 B8R1.3 O=C1CCC(CC1)O MCULE-7247867750 [0,0,0,1,0,1|2,0,0]=4 4648 B8R1.3 O=C1CCC(CN1)F MCULE-1848493447 [0,0,0,1,0,1|2,0,0]=4 4649 B8R1.3 O=C1CCC(CN1)O MCULE-4501886280 [0,0,0,1,0,1|2,0,0]=4 4650 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,0,1|1,0,0]=3 4651 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-3426407148 [0,0,0,1,0,1|2,0,0]=4 4652 B8R1.3 O=C1CC[C@@H](CN1)O MCULE-9592320749 [0,0,0,1,0,1|2,0,0]=4 4653 B8R1.3 O=C1CC[C@H](CN1)O MCULE-1500705916 [0,0,0,1,0,1|2,0,0]=4 4654 B8R1.3 O=C1CC[C@H](CN1)O MCULE-9578240246 [0,0,0,1,0,1|2,0,0]=4 4655 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,1|1,0,1]=4 4656 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,1|1,0,1]=4 4657 B8R1.3 O=C1NCC(CN1)O MCULE-7019603243 [0,0,0,1,0,1|2,0,0]=4 4658 B8R1.3 [C@@H]1(CN[C@@H](CO1)C)C MCULE-3712952908 [0,0,0,1,0,1|1,0,1]=4 4659 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,1|0,0,0]=2 4660 B8R1.20 CC1CC1NC(=S)N MCULE-2224830291 [0,0,0,1,0,1|1,1,0]=4 4661 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,1|1,0,1]=4 4662 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,1|0,0,2]=4 4663 B8R1.23 CC(=O)C1CC(C1)O MCULE-1249992642 [0,0,0,1,0,1|2,0,0]=4 4664 B8R1.23 CC(=O)N1CC(C1)N MCULE-2365148708 [0,0,0,1,0,1|2,0,0]=4 4665 B8R1.23 CC(=O)N1CC(C1)N MCULE-7213807824 [0,0,0,1,0,1|2,0,0]=4 4666 B8R1.23 CC(=O)N1CC(C1)N MCULE-9513131334 [0,0,0,1,0,1|2,0,0]=4 4667 B8R1.23 CC(=O)N1CC(C1)O MCULE-5379013327 [0,0,0,1,0,1|2,0,0]=4 4668 B8R1.23 CC(C)C1CC(=O)C1 MCULE-1288547159 [0,0,0,1,0,1|1,0,0]=3 4669 B8R1.23 CC(C)C1CC(=O)N1 MCULE-9034089552 [0,0,0,1,0,1|1,0,0]=3 4670 B8R1.23 CC(C)N1CC(C1)O MCULE-5775192694 [0,0,0,1,0,1|1,0,1]=4 4671 B8R1.23 CC(C)N1CC(C1)O MCULE-9171511902 [0,0,0,1,0,1|1,0,1]=4 4672 B8R1.23 CC(C)[C@@H]1CC(=O)N1 MCULE-4005923993 [0,0,0,1,0,1|1,0,0]=3 4673 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,1,0,1|0,0,0]=2 4674 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,1|0,0,0]=2 4675 B8R1.23 CN(C)C1CC(=O)C1 MCULE-6018790008 [0,0,0,1,0,1|2,0,0]=4 4676 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-4240668885 [0,0,0,1,0,1|2,0,0]=4 4677 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-8969093472 [0,0,0,1,0,1|2,0,0]=4 4678 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,1,0,1|1,0,0]=3 4679 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,1|0,0,0]=2 4680 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,1,0,1|0,0,0]=2 4681 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,1,0,1|0,0,0]=2 4682 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,1|0,0,0]=2 4683 B8R1.23 NC(=O)C1CC(C1)N MCULE-5148844906 [0,0,0,1,0,1|2,0,0]=4 4684 B8R1.23 NC(=O)C1CC(C1)N MCULE-6769121107 [0,0,0,1,0,1|2,0,0]=4 4685 B8R1.23 NC(=O)C1CC(C1)O MCULE-5735068093 [0,0,0,1,0,1|2,0,0]=4 4686 B8R1.23 NC(=O)N1CC(C1)F MCULE-7038677987 [0,0,0,1,0,1|2,0,0]=4 4687 B8R1.23 NC(=O)N1CC(C1)O MCULE-8624777593 [0,0,0,1,0,1|2,0,0]=4 4688 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,1|1,0,0]=3 4689 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,1|1,0,0]=3 4690 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,1|1,0,0]=3 4691 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,1|1,0,0]=3 4692 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,1|1,0,0]=3 4693 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,1|1,0,0]=3 4694 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,0,0,1,0,1|1,0,0]=3 4695 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,0,0,1,0,1|1,0,0]=3 4696 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,0,0,1,0,1|1,0,0]=3 4697 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,0,1|1,0,0]=3 4698 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,0,0,1,0,1|1,0,0]=3 4699 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,0,0,1,0,1|1,0,0]=3 4700 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,0,1|1,0,0]=3 4701 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,0,0,1,0,1|1,0,0]=3 4702 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,0,0,1,0,1|1,0,0]=3 4703 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,0,1|1,0,0]=3 4704 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,1|1,0,1]=4 4705 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,1|1,0,1]=4 4706 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,1|1,0,1]=4 4707 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,1|1,0,1]=4 4708 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,1|1,0,1]=4 4709 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,1|1,0,1]=4 4710 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,1|1,0,1]=4 4711 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,0,0,1,0,1|1,0,0]=3 4712 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [0,0,0,1,0,1|1,0,0]=3 4713 B8R1.35 CC(=O)NCC1CC1 MCULE-1770864212 [0,0,0,1,0,1|1,0,0]=3 4714 B8R1.35 CC(=O)NCC1CO1 MCULE-8864606081 [0,0,0,1,0,1|2,0,0]=4 4715 B8R1.35 CC(C)CCC1CO1 MCULE-8370319949 [0,0,0,1,0,1|1,0,1]=4 4716 B8R1.35 CC(C)OCC1CO1 MCULE-5300797105 [0,0,0,1,0,1|1,0,1]=4 4717 B8R1.35 CC(C)OC[C@@H]1CO1 MCULE-4211264263 [0,0,0,1,0,1|1,0,1]=4 4718 B8R1.35 CC(C)OC[C@H]1CO1 MCULE-8109473880 [0,0,0,1,0,1|1,0,1]=4 4719 B8R1.35 CC(O)CNC1CC1 MCULE-6273561896 [0,0,0,1,0,1|1,0,1]=4 4720 B8R1.35 N=C(N)NCC1CC1 MCULE-9564921056 [0,0,0,1,0,1|2,0,0]=4 4721 B8R1.35 N=C(N)SCC1CC1 MCULE-1163307095 [0,0,0,1,0,1|2,0,0]=4 4722 B8R1.35 N=C(N)SCC1CC1 MCULE-9784235666 [0,0,0,1,0,1|2,0,0]=4 4723 B8R1.35 NC(=O)CNC1CC1 MCULE-1569675703 [0,0,0,1,0,1|1,0,0]=3 4724 B8R1.35 NC(=O)CNC1CC1 MCULE-2912062351 [0,0,0,1,0,1|1,0,0]=3 4725 B8R1.35 NC(=O)NCC1CC1 MCULE-9526171923 [0,0,0,1,0,1|1,0,0]=3 4726 B8R1.35 NC(=S)NCC1CC1 MCULE-7980551401 [0,0,0,1,0,1|1,1,0]=4 4727 B8R1.35 O=C(Cl)OCC1CC1 MCULE-5850240668 [0,0,0,1,0,1|1,0,0]=3 4728 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [0,0,0,1,0,1|0,0,1]=3 4729 B8R1.35 O=C(O)C#CC1CC1 MCULE-8494271998 [0,0,0,1,0,1|0,0,1]=3 4730 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [0,0,0,1,0,1|0,0,1]=3 4731 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,0,1,0,1|0,0,0]=2 4732 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,1|1,0,0]=3 4733 B8R1.35 O=C(O)CCC1N=N1 MCULE-7773347718 [0,0,0,1,0,1|2,0,0]=4 4734 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,0,0,1,0,1|0,0,0]=2 4735 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,0,0,1,0,1|0,0,0]=2 4736 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,0,0,1,0,1|0,0,0]=2 4737 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,0,0,1,0,1|0,0,0]=2 4738 B8R1.35 O=N(=O)CCC1CC1 MCULE-7393596142 [0,0,0,1,0,1|1,0,1]=4 4739 B8R1.51 C=C1COC(O1)(C)C MCULE-6956184576 [0,0,0,1,0,1|1,0,0]=3 4740 B8R1.51 CC1(C=CC(=O)C1)C MCULE-2691948275 [0,0,0,1,0,1|1,0,1]=4 4741 B8R1.51 CC1(CC(=O)CN1)C MCULE-3002354818 [0,0,0,1,0,1|1,0,0]=3 4742 B8R1.51 CC1(CC(=O)CO1)C MCULE-3813236339 [0,0,0,1,0,1|1,0,0]=3 4743 B8R1.51 CC1(CC(=O)CS1)C MCULE-8119393989 [0,0,0,1,0,1|1,0,0]=3 4744 B8R1.51 CC1(CC(=O)NN1)C MCULE-3949987986 [0,0,0,1,0,1|2,0,0]=4 4745 B8R1.51 CC1(CC(=O)NO1)C MCULE-2107007864 [0,0,0,1,0,1|2,0,0]=4 4746 B8R1.51 CC1(CC(CN1)O)C MCULE-5350721787 [0,0,0,1,0,1|1,0,1]=4 4747 B8R1.51 CC1(CC(CO1)O)C MCULE-6020499551 [0,0,0,1,0,1|1,0,1]=4 4748 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [0,0,0,1,0,1|1,0,0]=3 4749 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,0,0,1,0,1|1,0,0]=3 4750 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,0,0,1,0,1|0,0,0]=2 4751 B8R1.51 CC1(CCC(O1)O)C MCULE-7092868347 [0,0,0,1,0,1|0,0,2]=4 4752 B8R1.51 CC1(CN=C(C1)N)C MCULE-2728105590 [0,0,0,1,0,1|2,0,0]=4 4753 B8R1.51 CC1(CN=C(C1)N)C MCULE-9014086278 [0,0,0,1,0,1|2,0,0]=4 4754 B8R1.51 CC1(CN=C(O1)N)C MCULE-6517199560 [0,0,0,1,0,1|1,0,0]=3 4755 B8R1.51 CC1(CNC(=O)C1)C MCULE-1184902754 [0,0,0,1,0,1|1,0,0]=3 4756 B8R1.51 CC1(CNC(=O)C1)O MCULE-3317128471 [0,0,0,1,0,1|2,0,0]=4 4757 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [0,0,0,1,0,1|1,0,0]=3 4758 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [0,0,0,1,0,1|0,0,0]=2 4759 B8R1.51 CC1(CNC(=S)N1)C MCULE-1571486648 [0,0,0,1,0,1|1,1,0]=4 4760 B8R1.51 CC1(COC(=N1)N)C MCULE-6966870092 [0,0,0,1,0,1|2,0,0]=4 4761 B8R1.51 CC1(COC(=O)C1)C MCULE-2810911497 [0,0,0,1,0,1|1,0,0]=3 4762 B8R1.51 CC1(COC(=O)N1)C MCULE-9709457440 [0,0,0,1,0,1|1,0,0]=3 4763 B8R1.51 CC1(COC(=S)N1)C MCULE-2461637364 [0,0,0,1,0,1|1,1,0]=4 4764 B8R1.51 CC1(CSC(=S)N1)C MCULE-9871352236 [0,0,0,1,0,1|1,1,0]=4 4765 B8R1.51 CC1(C[C@@H](CN1)O)C MCULE-2169130789 [0,0,0,1,0,1|1,0,1]=4 4766 B8R1.51 CC1(C[C@@H](CN1)O)C MCULE-9189212857 [0,0,0,1,0,1|1,0,1]=4 4767 B8R1.51 CC1(N=NC(=O)N1)C MCULE-9521585830 [0,0,0,1,0,1|2,0,0]=4 4768 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [0,0,0,1,0,1|1,0,0]=3 4769 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,0,0,1,0,1|0,0,0]=2 4770 B8R1.51 CC1=NC(CO1)(C)C MCULE-5229270650 [0,0,0,1,0,1|2,0,0]=4 4771 B8R1.51 CC1=NC(CS1)(C)C MCULE-4639517834 [0,0,0,1,0,1|2,0,0]=4 4772 B8R1.51 CC1CCC(C1)(C)O MCULE-5369529521 [0,0,0,1,0,1|1,0,1]=4 4773 B8R1.51 CC1CCS(=O)(=O)C1 MCULE-8205416735 [0,0,0,1,0,1|1,0,1]=4 4774 B8R1.51 CC1CNS(=O)(=O)C1 MCULE-2299608411 [0,0,0,1,0,1|1,0,1]=4 4775 B8R1.51 CC1COC(O1)(C)C MCULE-2118300632 [0,0,0,1,0,1|1,0,1]=4 4776 B8R1.51 CC1COS(=O)(=O)C1 MCULE-3208476537 [0,0,0,1,0,1|1,0,1]=4 4777 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,0,1|2,0,0]=4 4778 B8R1.77 C1(CC1(C)C)C(=O)N MCULE-5718477060 [0,0,0,1,0,1|1,0,0]=3 4779 B8R1.77 CC(=O)C1CC1(C)C MCULE-5036637605 [0,0,0,1,0,1|1,0,0]=3 4780 B8R1.77 CC1(CC1B(O)O)C MCULE-7776925356 [0,0,0,1,0,1|1,0,1]=4 4781 B8R1.77 CC1(CC1C(=O)Cl)C MCULE-4090499692 [0,0,0,1,0,1|1,0,0]=3 4782 B8R1.77 CC1(CC1C(=O)N)C MCULE-5357702152 [0,0,0,1,0,1|1,0,0]=3 4783 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [0,0,0,1,0,1|1,0,0]=3 4784 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,0,0,1,0,1|0,0,0]=2 4785 B8R1.77 CC1(CC1C(=S)N)C MCULE-7727174722 [0,0,0,1,0,1|1,1,0]=4 4786 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-5378835991 [0,0,0,1,0,1|1,0,0]=3 4787 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-9161411761 [0,0,0,1,0,1|1,0,0]=3 4788 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,0,0,1,0,1|0,0,0]=2 4789 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,0,0,1,0,1|0,0,0]=2 4790 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,0,0,1,0,1|0,0,0]=2 4791 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [0,0,0,1,0,1|0,0,0]=2 4792 B8R1.77 O=C(O)C1CC1(Br)Br MCULE-7358606014 [0,0,0,1,0,1|2,0,0]=4 4793 B8R1.77 O=C(O)C1CC1(Cl)Cl MCULE-6063199100 [0,0,0,1,0,1|2,0,0]=4 4794 B8R1.77 O=C(O)C1CC1(F)Cl MCULE-3259140974 [0,0,0,1,0,1|2,0,0]=4 4795 B8R1.77 O=C(O)C1CC1(F)F MCULE-2294378507 [0,0,0,1,0,1|2,0,0]=4 4796 B8R1.77 O=C(O)C1CC1(F)F MCULE-7749595525 [0,0,0,1,0,1|2,0,0]=4 4797 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-1169025364 [0,0,0,1,0,1|2,0,0]=4 4798 B8R1.77 O=C(O)[C@@H]1CC1(F)F MCULE-8477839387 [0,0,0,1,0,1|2,0,0]=4 4799 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-4058307455 [0,0,0,1,0,1|2,0,0]=4 4800 B8R1.77 O=C(O)[C@H]1CC1(F)F MCULE-5570539448 [0,0,0,1,0,1|2,0,0]=4 4801 B8R1.77 [C@H]1(CC1(C)C)C(=O)N MCULE-6467459637 [0,0,0,1,0,1|1,0,0]=3 4802 B8R1.1 C#CC1COC(=O)N1 MCULE-7019791209 [0,1,0,1,0,0|1,0,1]=4 4803 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-3103635703 [0,1,0,1,0,0|1,0,1]=4 4804 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-7796064143 [0,1,0,1,0,0|1,0,1]=4 4805 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-4375742729 [0,1,0,1,0,0|1,0,1]=4 4806 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-5542662617 [0,1,0,1,0,0|1,0,1]=4 4807 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,1,0,1,0,0|2,0,0]=4 4808 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,1,0,1,0,0|2,0,0]=4 4809 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,1,0,1,0,0|2,0,0]=4 4810 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,1,0,1,0,0|1,0,0]=3 4811 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,1,0,1,0,0|1,0,0]=3 4812 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,1,0,1,0,0|2,0,0]=4 4813 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,1,0,1,0,0|0,0,1]=3 4814 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,1,0,1,0,0|0,0,1]=3 4815 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [0,1,0,1,0,0|1,0,1]=4 4816 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,1,0,1,0,0|0,0,1]=3 4817 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,1,0,1,0,0|0,0,1]=3 4818 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-1532767336 [0,1,0,1,0,0|1,0,1]=4 4819 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-3932839401 [0,1,0,1,0,0|1,0,1]=4 4820 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-3492854139 [0,1,0,1,0,0|1,0,1]=4 4821 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-9796474747 [0,1,0,1,0,0|1,0,1]=4 4822 B8R1.1 CC1=NC(CO1)CBr MCULE-4046707435 [0,1,0,1,0,0|2,0,0]=4 4823 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [0,1,0,1,0,0|1,0,1]=4 4824 B8R1.1 CC1CCC(C1)CO MCULE-3130047677 [0,1,0,1,0,0|1,0,1]=4 4825 B8R1.1 CC1CNC(C1)CO MCULE-2461186712 [0,1,0,1,0,0|1,0,1]=4 4826 B8R1.1 CC1CNC(C1)CO MCULE-5209280647 [0,1,0,1,0,0|1,0,1]=4 4827 B8R1.1 CC1COC(C1)CO MCULE-4511313299 [0,1,0,1,0,0|0,0,2]=4 4828 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,1,0,1,0,0|2,0,0]=4 4829 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,1,0,1,0,0|1,0,0]=3 4830 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,1,0,1,0,0|2,0,0]=4 4831 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,1,0,1,0,0|2,0,0]=4 4832 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,1,0,1,0,0|1,0,0]=3 4833 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,1,0,1,0,0|2,0,0]=4 4834 B8R1.1 CCC1COC(=N1)C MCULE-1406641220 [0,1,0,1,0,0|2,0,0]=4 4835 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,1,0,1,0,0|0,0,0]=2 4836 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,1,0,1,0,0|1,0,0]=3 4837 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,1,0,1,0,0|1,0,0]=3 4838 B8R1.1 CCN1CCC(=O)C1 MCULE-5806094458 [0,1,0,1,0,0|2,0,0]=4 4839 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,1,0,1,0,0|1,0,0]=3 4840 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,1,0,1,0,0|2,0,0]=4 4841 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,1,0,1,0,0|1,0,0]=3 4842 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,1,0,1,0,0|1,0,0]=3 4843 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,1,0,1,0,0|1,0,0]=3 4844 B8R1.1 CNC1CCC(C1)O MCULE-1177292585 [0,1,0,1,0,0|1,0,1]=4 4845 B8R1.1 CNC1CCC(C1)O MCULE-5259471149 [0,1,0,1,0,0|1,0,1]=4 4846 B8R1.1 CNC1CNC(=O)C1 MCULE-1673491824 [0,1,0,1,0,0|1,0,0]=3 4847 B8R1.1 CN[C@@H]1CC[C@@H](C1)O MCULE-3921744037 [0,1,0,1,0,0|1,0,1]=4 4848 B8R1.1 CN[C@H]1CNC(=O)C1 MCULE-7859463391 [0,1,0,1,0,0|1,0,0]=3 4849 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,1,0,1,0,0|0,0,2]=4 4850 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [0,1,0,1,0,0|1,0,1]=4 4851 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,1,0,1,0,0|1,0,0]=3 4852 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,1,0,1,0,0|2,0,0]=4 4853 B8R1.1 COC1CCC(C1)O MCULE-3531007988 [0,1,0,1,0,0|1,0,1]=4 4854 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,1,0,1,0,0|1,0,0]=3 4855 B8R1.1 CO[C@@H]1CC[C@@H](C1)O MCULE-5232016028 [0,1,0,1,0,0|1,0,1]=4 4856 B8R1.1 C[C@@H]1CN[C@@H](C1)CO MCULE-1057201942 [0,1,0,1,0,0|1,0,1]=4 4857 B8R1.1 C[C@@H]1CN[C@@H](C1)CO MCULE-5251520971 [0,1,0,1,0,0|1,0,1]=4 4858 B8R1.1 C[C@H]1CN[C@@H](C1)CO MCULE-3784655204 [0,1,0,1,0,0|1,0,1]=4 4859 B8R1.1 C[C@H]1CN[C@@H](C1)CO MCULE-3927798393 [0,1,0,1,0,0|1,0,1]=4 4860 B8R1.1 N#CC1CCC(=O)C1 MCULE-3783981366 [0,1,0,1,0,0|1,0,1]=4 4861 B8R1.1 N#CC1CNC(=O)C1 MCULE-7040868747 [0,1,0,1,0,0|1,0,1]=4 4862 B8R1.1 N#CC1COC(=O)O1 MCULE-7635108167 [0,1,0,1,0,0|1,0,1]=4 4863 B8R1.1 N#C[C@@H]1CCC(=O)C1 MCULE-1506687355 [0,1,0,1,0,0|1,0,1]=4 4864 B8R1.1 N#C[C@H]1CCC(=O)C1 MCULE-3791390646 [0,1,0,1,0,0|1,0,1]=4 4865 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,1,0,1,0,0|2,0,0]=4 4866 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,1,0,1,0,0|2,0,0]=4 4867 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,1,0,1,0,0|2,0,0]=4 4868 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,1,0,1,0,0|2,0,0]=4 4869 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,1,0,1,0,0|2,0,0]=4 4870 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,1,0,1,0,0|2,0,0]=4 4871 B8R1.1 NCC1CCC(C1)O MCULE-1780130995 [0,1,0,1,0,0|1,0,1]=4 4872 B8R1.1 NCC1CCC(C1)O MCULE-5002398342 [0,1,0,1,0,0|1,0,1]=4 4873 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,1,0,1,0,0|1,0,0]=3 4874 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,1,0,1,0,0|1,0,0]=3 4875 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,1,0,1,0,0|1,0,0]=3 4876 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,1,0,1,0,0|2,0,0]=4 4877 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,1,0,1,0,0|2,0,0]=4 4878 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,1,0,1,0,0|1,0,0]=3 4879 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,1,0,1,0,0|1,0,0]=3 4880 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,1,0,1,0,0|2,0,0]=4 4881 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,1,0,1,0,0|2,0,0]=4 4882 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,1,0,1,0,0|2,0,0]=4 4883 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,1,0,1,0,0|2,0,0]=4 4884 B8R1.1 NC[C@@H]1CC[C@@H](C1)O MCULE-2662561877 [0,1,0,1,0,0|1,0,1]=4 4885 B8R1.1 NC[C@@H]1CC[C@H](C1)O MCULE-9258933196 [0,1,0,1,0,0|1,0,1]=4 4886 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,1,0,1,0,0|1,0,0]=3 4887 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,1,0,1,0,0|1,0,0]=3 4888 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,1,0,1,0,0|1,0,0]=3 4889 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,1,0,1,0,0|1,0,0]=3 4890 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,1,0,1,0,0|2,0,0]=4 4891 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,1,0,1,0,0|2,0,0]=4 4892 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,1,0,1,0,0|2,0,0]=4 4893 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,1,0,1,0,0|2,0,0]=4 4894 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,1,0,1,0,0|2,0,0]=4 4895 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,1,0,1,0,0|2,0,0]=4 4896 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,1,0,1,0,0|2,0,0]=4 4897 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,1,0,1,0,0|2,0,0]=4 4898 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-1995293557 [0,1,0,1,0,0|1,0,1]=4 4899 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-9517253792 [0,1,0,1,0,0|1,0,1]=4 4900 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-5659749587 [0,1,0,1,0,0|1,0,1]=4 4901 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-9056303043 [0,1,0,1,0,0|1,0,1]=4 4902 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,1,0,1,0,0|1,0,0]=3 4903 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,1,0,1,0,0|1,0,0]=3 4904 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,1,0,1,0,0|1,0,0]=3 4905 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,1,0,1,0,0|1,0,0]=3 4906 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,1,0,1,0,0|2,0,0]=4 4907 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,1,0,1,0,0|2,0,0]=4 4908 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,1,0,1,0,0|2,0,0]=4 4909 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,1,0,1,0,0|2,0,0]=4 4910 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,1,0,1,0,0|1,0,0]=3 4911 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,1,0,1,0,0|1,0,0]=3 4912 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,1,0,1,0,0|0,0,2]=4 4913 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,1,0,1,0,0|0,0,2]=4 4914 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,1,0,1,0,0|0,0,2]=4 4915 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,1,0,1,0,0|1,0,0]=3 4916 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,1,0,1,0,0|1,0,0]=3 4917 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,1,0,1,0,0|0,0,0]=2 4918 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,1,0,1,0,0|1,0,0]=3 4919 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,1,0,1,0,0|1,0,0]=3 4920 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,1,0,1,0,0|2,0,0]=4 4921 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,1,0,1,0,0|2,0,0]=4 4922 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,1,0,1,0,0|2,0,0]=4 4923 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,1,0,1,0,0|2,0,0]=4 4924 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,1,0,1,0,0|2,0,0]=4 4925 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,1,0,1,0,0|2,0,0]=4 4926 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,1,0,1,0,0|2,0,0]=4 4927 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,1,0,1,0,0|2,0,0]=4 4928 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,1,0,1,0,0|1,0,0]=3 4929 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,1,0,1,0,0|1,0,0]=3 4930 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,1,0,1,0,0|2,0,0]=4 4931 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,1,0,1,0,0|2,0,0]=4 4932 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,1,0,1,0,0|2,0,0]=4 4933 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,1,0,1,0,0|2,0,0]=4 4934 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,1,0,1,0,0|2,0,0]=4 4935 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,1,0,1,0,0|2,0,0]=4 4936 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,1,0,1,0,0|2,0,0]=4 4937 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,1,0,1,0,0|2,0,0]=4 4938 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,1,0,1,0,0|2,0,0]=4 4939 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,1,0,1,0,0|2,0,0]=4 4940 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,1,0,1,0,0|2,0,0]=4 4941 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,1,0,1,0,0|2,0,0]=4 4942 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,1,0,1,0,0|1,0,0]=3 4943 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,1,0,1,0,0|1,0,0]=3 4944 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,1,0,1,0,0|1,0,0]=3 4945 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,1,0,1,0,0|1,0,0]=3 4946 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,1,0,1,0,0|1,0,0]=3 4947 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,1,0,1,0,0|1,0,0]=3 4948 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,1,0,1,0,0|2,0,0]=4 4949 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,1,0,1,0,0|2,0,0]=4 4950 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,1,0,1,0,0|2,0,0]=4 4951 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,1,0,1,0,0|2,0,0]=4 4952 B8R1.1 O=C1NCC(S1)CBr MCULE-9963419555 [0,1,0,1,0,0|2,0,0]=4 4953 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,1,0,1,0,0|2,0,0]=4 4954 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,1,0,1,0,0|2,0,0]=4 4955 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,1,0,1,0,0|2,0,0]=4 4956 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,1,0,1,0,0|2,0,0]=4 4957 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,1,0,1,0,0|2,0,0]=4 4958 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,1,0,1,0,0|2,0,0]=4 4959 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,1,0,1,0,0|1,0,0]=3 4960 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,1,0,1,0,0|1,0,0]=3 4961 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,1,0,1,0,0|1,0,0]=3 4962 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,1,0,1,0,0|1,0,0]=3 4963 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,1,0,1,0,0|1,0,0]=3 4964 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,1,0,1,0,0|1,0,0]=3 4965 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,1,0,1,0,0|1,0,0]=3 4966 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,1,0,1,0,0|1,0,0]=3 4967 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,1,0,1,0,0|1,0,0]=3 4968 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,1,0,1,0,0|0,0,1]=3 4969 B8R1.1 OCC1CCC(C1)O MCULE-5225292788 [0,1,0,1,0,0|1,0,1]=4 4970 B8R1.1 OC[C@@H]1CC[C@@H](C1)O MCULE-7117159358 [0,1,0,1,0,0|1,0,1]=4 4971 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-7760122854 [0,1,0,1,0,0|1,0,1]=4 4972 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-9132554470 [0,1,0,1,0,0|1,0,1]=4 4973 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,1,0,1,0,0|0,0,1]=3 4974 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,1,0,1,0,0|2,0,0]=4 4975 B8R1.1 [C@H]1(CN[C@@H](C1)CO)C MCULE-1910074067 [0,1,0,1,0,0|1,0,1]=4 4976 B8R1.1 [C@H]1(CN[C@@H](C1)CO)C MCULE-9340203932 [0,1,0,1,0,0|1,0,1]=4 4977 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,1,0,1,0,0|1,0,0]=3 4978 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,1,0,1,0,0|1,0,0]=3 4979 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,1,0,1,0,0|1,0,0]=3 4980 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,1,0,1,0,0|2,0,0]=4 4981 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,1,0,1,0,0|0,0,2]=4 4982 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,1,0,1,0,0|1,0,1]=4 4983 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,1,0,1,0,0|1,0,0]=3 4984 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,1,0,1,0,0|1,0,0]=3 4985 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,1,0,1,0,0|1,0,0]=3 4986 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,1,0,1,0,0|1,0,0]=3 4987 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,1,0,1,0,0|1,0,0]=3 4988 B8R1.4 CC1CC(CCN1)O MCULE-6498081704 [0,1,0,1,0,0|1,0,1]=4 4989 B8R1.4 CC1CC(CCN1)O MCULE-7903568675 [0,1,0,1,0,0|1,0,1]=4 4990 B8R1.4 CC1CC(CCO1)O MCULE-4865141445 [0,1,0,1,0,0|1,0,1]=4 4991 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,1,0,1,0,0|2,0,0]=4 4992 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,1,0,1,0,0|1,0,0]=3 4993 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,1,0,1,0,0|1,0,0]=3 4994 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,1,0,1,0,0|2,0,0]=4 4995 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,1,0,1,0,0|2,0,0]=4 4996 B8R1.4 CC1CCCC(C1)O MCULE-5839979596 [0,1,0,1,0,0|1,0,1]=4 4997 B8R1.4 CC1CCC[C@H](C1)O MCULE-8817611474 [0,1,0,1,0,0|1,0,1]=4 4998 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,1,0,1,0,0|2,0,0]=4 4999 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,1,0,1,0,0|2,0,0]=4 5000 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,1,0,1,0,0|1,0,0]=3 5001 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,1,0,1,0,0|2,0,0]=4 5002 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,1,0,1,0,0|0,0,0]=2 5003 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,1,0,1,0,0|1,0,0]=3 5004 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,1,0,1,0,0|2,0,0]=4 5005 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,1,0,1,0,0|2,0,0]=4 5006 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,1,0,1,0,0|2,0,0]=4 5007 B8R1.4 CC1CNCC(C1)O MCULE-3984160340 [0,1,0,1,0,0|1,0,1]=4 5008 B8R1.4 CC1CNCC(C1)O MCULE-8485435970 [0,1,0,1,0,0|1,0,1]=4 5009 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,1,0,1,0,0|1,0,0]=3 5010 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,1,0,1,0,0|1,0,0]=3 5011 B8R1.4 CC1CS(=O)CCN1 MCULE-1283703183 [0,1,0,1,0,0|2,0,0]=4 5012 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,1,0,1,0,0|2,0,0]=4 5013 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,1,0,1,0,0|2,0,0]=4 5014 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,1,0,1,0,0|2,0,0]=4 5015 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,1,0,1,0,0|1,0,0]=3 5016 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,1,0,1,0,0|1,0,0]=3 5017 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,1,0,1,0,0|1,0,0]=3 5018 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,1,0,1,0,0|1,0,0]=3 5019 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,1,0,1,0,0|1,0,0]=3 5020 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,1,0,1,0,0|1,0,0]=3 5021 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,1,0,1,0,0|1,0,0]=3 5022 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,1,0,1,0,0|1,0,0]=3 5023 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,1,0,1,0,0|1,0,0]=3 5024 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,1,0,1,0,0|1,0,0]=3 5025 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,1,0,1,0,0|2,0,0]=4 5026 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,1,0,1,0,0|2,0,0]=4 5027 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,1,0,1,0,0|2,0,0]=4 5028 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,1,0,1,0,0|2,0,0]=4 5029 B8R1.4 C[C@@H]1CCC[C@@H](C1)O MCULE-9818117668 [0,1,0,1,0,0|1,0,1]=4 5030 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,1,0,1,0,0|2,0,0]=4 5031 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,1,0,1,0,0|2,0,0]=4 5032 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,1,0,1,0,0|2,0,0]=4 5033 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,1,0,1,0,0|2,0,0]=4 5034 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,1,0,1,0,0|1,0,0]=3 5035 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,1,0,1,0,0|1,0,0]=3 5036 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-4140093728 [0,1,0,1,0,0|1,0,1]=4 5037 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-5163618886 [0,1,0,1,0,0|1,0,1]=4 5038 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-7763919398 [0,1,0,1,0,0|1,0,1]=4 5039 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-8618284571 [0,1,0,1,0,0|1,0,1]=4 5040 B8R1.4 C[C@@H]1C[C@@H](CCO1)O MCULE-6251959536 [0,1,0,1,0,0|1,0,1]=4 5041 B8R1.4 C[C@@H]1C[C@H](CCN1)O MCULE-6703272966 [0,1,0,1,0,0|1,0,1]=4 5042 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,1,0,1,0,0|1,0,0]=3 5043 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,1,0,1,0,0|1,0,0]=3 5044 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,1,0,1,0,0|1,0,0]=3 5045 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,1,0,1,0,0|1,0,0]=3 5046 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,1,0,1,0,0|1,0,0]=3 5047 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,1,0,1,0,0|1,0,0]=3 5048 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,1,0,1,0,0|1,0,0]=3 5049 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,1,0,1,0,0|1,0,0]=3 5050 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,1,0,1,0,0|1,0,0]=3 5051 B8R1.4 C[C@H]1CCC[C@H](C1)O MCULE-9355825371 [0,1,0,1,0,0|1,0,1]=4 5052 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,1,0,1,0,0|1,0,0]=3 5053 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,1,0,1,0,0|2,0,0]=4 5054 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,1,0,1,0,0|2,0,0]=4 5055 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,1,0,1,0,0|2,0,0]=4 5056 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,1,0,1,0,0|2,0,0]=4 5057 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,1,0,1,0,0|1,0,0]=3 5058 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,1,0,1,0,0|1,0,0]=3 5059 B8R1.4 C[C@H]1C[C@@H](CCN1)O MCULE-1694554479 [0,1,0,1,0,0|1,0,1]=4 5060 B8R1.4 C[C@H]1C[C@@H](CCO1)O MCULE-3846187212 [0,1,0,1,0,0|1,0,1]=4 5061 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2129467220 [0,1,0,1,0,0|1,0,1]=4 5062 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2293561927 [0,1,0,1,0,0|1,0,1]=4 5063 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2465229358 [0,1,0,1,0,0|1,0,1]=4 5064 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2588665539 [0,1,0,1,0,0|1,0,1]=4 5065 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-4194322726 [0,1,0,1,0,0|1,0,1]=4 5066 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-4666938059 [0,1,0,1,0,0|1,0,1]=4 5067 B8R1.4 C[C@H]1C[C@H](CCO1)O MCULE-3007764630 [0,1,0,1,0,0|1,0,1]=4 5068 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,1,0,1,0,0|2,0,0]=4 5069 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,1,0,1,0,0|2,0,0]=4 5070 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,1,0,1,0,0|2,0,0]=4 5071 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,1,0,1,0,0|2,0,0]=4 5072 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,1,0,1,0,0|2,0,0]=4 5073 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,1,0,1,0,0|2,0,0]=4 5074 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,1,0,1,0,0|1,0,0]=3 5075 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,1,0,1,0,0|1,0,0]=3 5076 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,1,0,1,0,0|2,0,0]=4 5077 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,1,0,1,0,0|2,0,0]=4 5078 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,1,0,1,0,0|1,0,0]=3 5079 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,1,0,1,0,0|1,0,0]=3 5080 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,1,0,1,0,0|2,0,0]=4 5081 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,1,0,1,0,0|2,0,0]=4 5082 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,1,0,1,0,0|2,0,0]=4 5083 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,1,0,1,0,0|2,0,0]=4 5084 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,1,0,1,0,0|2,0,0]=4 5085 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,1,0,1,0,0|2,0,0]=4 5086 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,1,0,1,0,0|2,0,0]=4 5087 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,1,0,1,0,0|2,0,0]=4 5088 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,1,0,1,0,0|2,0,0]=4 5089 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,1,0,1,0,0|2,0,0]=4 5090 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,1,0,0|1,0,1]=4 5091 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,1,0,1,0,0|1,0,1]=4 5092 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,1,0,1,0,0|1,0,0]=3 5093 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,1,0,1,0,0|2,0,0]=4 5094 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,1,0,1,0,0|2,0,0]=4 5095 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,1,0,1,0,0|2,0,0]=4 5096 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,1,0,1,0,0|2,0,0]=4 5097 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,1,0,1,0,0|2,0,0]=4 5098 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,1,0,1,0,0|2,0,0]=4 5099 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,1,0,1,0,0|1,0,1]=4 5100 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [0,1,0,1,0,0|1,0,1]=4 5101 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,1,0,1,0,0|1,0,0]=3 5102 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,1,0,1,0,0|0,0,2]=4 5103 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,1,0,1,0,0|0,0,2]=4 5104 B8R1.18 CC1CC(=O)C(O1)C MCULE-9648127298 [0,1,0,1,0,0|2,0,0]=4 5105 B8R1.18 CC1CC(=O)CN1C MCULE-3142275674 [0,1,0,1,0,0|1,0,0]=3 5106 B8R1.18 CC1CC(=O)N(C1)C MCULE-2164356802 [0,1,0,1,0,0|1,0,0]=3 5107 B8R1.18 CC1CC(=O)N(N1)C MCULE-3951114099 [0,1,0,1,0,0|2,0,0]=4 5108 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,1,0,0|1,0,1]=4 5109 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,1,0,0|0,0,1]=3 5110 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,1,0,1,0,0|0,0,0]=2 5111 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,1,0,1,0,0|0,0,0]=2 5112 B8R1.18 CC1CC(C(=O)O1)Br MCULE-3628819780 [0,1,0,1,0,0|2,0,0]=4 5113 B8R1.18 CC1CC(C(=O)O1)N MCULE-4414809681 [0,1,0,1,0,0|2,0,0]=4 5114 B8R1.18 CC1CC(C(=O)O1)N MCULE-7247771680 [0,1,0,1,0,0|2,0,0]=4 5115 B8R1.18 CC1CN(CC1=O)C MCULE-3780339739 [0,1,0,1,0,0|2,0,0]=4 5116 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,1,0,1,0,0|2,0,0]=4 5117 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,1,0,1,0,0|1,0,1]=4 5118 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,1,0,1,0,0|1,0,1]=4 5119 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,1,0,1,0,0|1,0,0]=3 5120 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,1,0,1,0,0|1,0,0]=3 5121 B8R1.18 CC1OS(=O)OC1C MCULE-8578188591 [0,1,0,1,0,0|2,0,0]=4 5122 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,1,0,0|1,0,1]=4 5123 B8R1.18 CN1CC(CC1=O)I MCULE-4945824576 [0,1,0,1,0,0|2,0,0]=4 5124 B8R1.18 CN1CC(CC1=O)N MCULE-2463085778 [0,1,0,1,0,0|2,0,0]=4 5125 B8R1.18 CN1CC(CC1=O)N MCULE-2958084133 [0,1,0,1,0,0|2,0,0]=4 5126 B8R1.18 CN1CC(CC1=O)O MCULE-3900359646 [0,1,0,1,0,0|2,0,0]=4 5127 B8R1.18 CN1C[C@@H](CC1=O)N MCULE-5898871508 [0,1,0,1,0,0|2,0,0]=4 5128 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-6983684031 [0,1,0,1,0,0|2,0,0]=4 5129 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-9036883490 [0,1,0,1,0,0|2,0,0]=4 5130 B8R1.18 CN1C[C@H](CC1=O)N MCULE-6260844558 [0,1,0,1,0,0|2,0,0]=4 5131 B8R1.18 CN1C[C@H](CC1=O)N MCULE-9464195407 [0,1,0,1,0,0|2,0,0]=4 5132 B8R1.18 CN1C[C@H](CC1=O)O MCULE-1129246553 [0,1,0,1,0,0|2,0,0]=4 5133 B8R1.18 CN1C[C@H](CC1=O)O MCULE-3762455862 [0,1,0,1,0,0|2,0,0]=4 5134 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,1,0,0|1,0,1]=4 5135 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,1,0,1,0,0|2,0,0]=4 5136 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,1,0,1,0,0|1,0,1]=4 5137 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,1,0,1,0,0|1,0,1]=4 5138 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,1,0,0|0,0,1]=3 5139 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,1,0,1,0,0|0,0,0]=2 5140 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,1,0,1,0,0|1,0,1]=4 5141 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,1,0,1,0,0|1,0,1]=4 5142 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,1,0,1,0,0|1,0,1]=4 5143 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,1,0,1,0,0|1,0,1]=4 5144 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,1,0,1,0,0|1,0,1]=4 5145 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,1,0,1,0,0|1,0,1]=4 5146 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,1,0,1,0,0|1,0,1]=4 5147 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,1,0,1,0,0|1,0,1]=4 5148 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,1,0,1,0,0|1,0,1]=4 5149 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,1,0,1,0,0|1,0,1]=4 5150 B8R1.18 O=C1OC(C(O1)Cl)Cl MCULE-2346794223 [0,1,0,1,0,0|2,0,0]=4 5151 B8R1.18 O=C1O[C@@H]([C@H](O1)F)F MCULE-7614704509 [0,1,0,1,0,0|2,0,0]=4 5152 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,1,0,1,0,0|1,0,0]=3 5153 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,1,0,1,0,0|0,0,2]=4 5154 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,1,0,1,0,0|1,0,0]=3 5155 B8R1.31 CC(C)C1CCC1=O MCULE-1869737626 [0,1,0,1,0,0|1,0,0]=3 5156 B8R1.31 CC(C)C1OCC1N MCULE-3528951242 [0,1,0,1,0,0|1,0,1]=4 5157 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,1,0,1,0,0|0,0,0]=2 5158 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,1,0,1,0,0|0,0,0]=2 5159 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,1,0,1,0,0|0,0,0]=2 5160 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,1,0,1,0,0|1,0,0]=3 5161 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,1,0,1,0,0|1,0,0]=3 5162 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,1,0,1,0,0|1,0,0]=3 5163 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,1,0,1,0,0|1,0,0]=3 5164 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,1,0,1,0,0|1,0,0]=3 5165 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,1,0,1,0,0|0,0,0]=2 5166 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,1,0,1,0,0|0,0,0]=2 5167 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,1,0,1,0,0|0,0,0]=2 5168 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,1,0,1,0,0|0,0,0]=2 5169 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,1,0,1,0,0|1,0,0]=3 5170 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,1,0,1,0,0|1,0,0]=3 5171 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,1,0,1,0,0|1,0,0]=3 5172 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,1,0,1,0,0|1,0,0]=3 5173 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,1,0,1,0,0|1,0,0]=3 5174 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,1,0,1,0,0|1,0,0]=3 5175 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,1,0,1,0,0|1,0,0]=3 5176 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,1,0,1,0,0|1,0,0]=3 5177 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,1,0,1,0,0|1,0,0]=3 5178 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,1,0,1,0,0|1,0,0]=3 5179 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,1,0,1,0,0|1,0,0]=3 5180 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,1,0,1,0,0|1,0,0]=3 5181 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,1,0,1,0,0|1,0,0]=3 5182 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,1,0,1,0,0|1,0,0]=3 5183 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,1,0,1,0,0|1,0,0]=3 5184 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,1,0,1,0,0|1,0,0]=3 5185 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,1,0,1,0,0|1,0,0]=3 5186 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,1,0,1,0,0|1,0,0]=3 5187 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,1,0,1,0,0|1,0,0]=3 5188 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,1,0,1,0,0|1,0,0]=3 5189 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,1,0,1,0,0|0,0,0]=2 5190 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [0,1,0,1,0,0|1,0,0]=3 5191 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [0,1,0,1,0,0|1,0,0]=3 5192 B8R1.34 CC(=O)NC1CNC1 MCULE-8262716671 [0,1,0,1,0,0|2,0,0]=4 5193 B8R1.34 CC(=O)NC1CNC1 MCULE-9475906960 [0,1,0,1,0,0|2,0,0]=4 5194 B8R1.34 CC(=O)OC1CNC1 MCULE-1464943134 [0,1,0,1,0,0|2,0,0]=4 5195 B8R1.34 CC(=O)OC1CNC1 MCULE-2801618495 [0,1,0,1,0,0|2,0,0]=4 5196 B8R1.34 CC(=O)OC1CNC1 MCULE-5204587569 [0,1,0,1,0,0|2,0,0]=4 5197 B8R1.34 CC(=O)SC1CNC1 MCULE-7804874855 [0,1,0,1,0,0|2,0,0]=4 5198 B8R1.34 CC(=O)SC1COC1 MCULE-1737712664 [0,1,0,1,0,0|2,0,0]=4 5199 B8R1.34 N=C(N)CC1CCC1 MCULE-7694021103 [0,1,0,1,0,0|2,0,0]=4 5200 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [0,1,0,1,0,0|1,0,0]=3 5201 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [0,1,0,1,0,0|1,0,0]=3 5202 B8R1.34 NC(=O)NC1CCC1 MCULE-4153424610 [0,1,0,1,0,0|2,0,0]=4 5203 B8R1.34 NC(=O)OC1CNC1 MCULE-1968679475 [0,1,0,1,0,0|2,0,0]=4 5204 B8R1.34 NC(=O)OC1CNC1 MCULE-9969958473 [0,1,0,1,0,0|2,0,0]=4 5205 B8R1.34 NC(=S)CC1CCC1 MCULE-7458307170 [0,1,0,1,0,0|1,1,0]=4 5206 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [0,1,0,1,0,0|1,0,0]=3 5207 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,1,0,1,0,0|0,0,2]=4 5208 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,1,0,1,0,0|0,0,0]=2 5209 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,1,0,1,0,0|0,0,0]=2 5210 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,1,0,1,0,0|0,0,0]=2 5211 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,1,0,1,0,0|0,0,0]=2 5212 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,1,0,1,0,0|0,0,0]=2 5213 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,1,0,1,0,0|0,0,0]=2 5214 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,1,0,1,0,0|0,0,0]=2 5215 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,1,0,1,0,0|0,0,0]=2 5216 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,1,0,1,0,0|1,0,0]=3 5217 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,1,0,1,0,0|1,0,0]=3 5218 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [0,1,0,1,0,0|0,0,1]=3 5219 B8R1.34 O=N(=O)CC1COC1 MCULE-7925071797 [0,1,0,1,0,0|1,0,1]=4 5220 B8R1.40 C=CC(=O)CC1CC1 MCULE-2286262087 [0,1,0,1,0,0|1,0,0]=3 5221 B8R1.40 C=CC(=O)NC1CC1 MCULE-2482571861 [0,1,0,1,0,0|2,0,0]=4 5222 B8R1.40 CCC(=O)CC1CC1 MCULE-7991524982 [0,1,0,1,0,0|1,0,0]=3 5223 B8R1.40 CNC(=O)NC1CC1 MCULE-7333117512 [0,1,0,1,0,0|2,0,0]=4 5224 B8R1.40 COC(=O)C=C1CC1 MCULE-9046312556 [0,1,0,1,0,0|0,0,2]=4 5225 B8R1.40 COC(=O)CC1CC1 MCULE-5556326610 [0,1,0,1,0,0|0,0,0]=2 5226 B8R1.40 COC(=O)CC1CO1 MCULE-1978729257 [0,1,0,1,0,0|1,0,0]=3 5227 B8R1.40 COC(=O)C[C@@H]1CO1 MCULE-5425441463 [0,1,0,1,0,0|1,0,0]=3 5228 B8R1.40 N/C(=N\O)/CC1CC1 MCULE-2177833388 [0,1,0,1,0,0|1,0,0]=3 5229 B8R1.40 N/C(=N\O)/NC1CC1 MCULE-8731932259 [0,1,0,1,0,0|2,0,0]=4 5230 B8R1.40 NC(CO)CC1CC1 MCULE-7286476383 [0,1,0,1,0,0|1,0,1]=4 5231 B8R1.40 NC(CO)CC1CC1 MCULE-9063082551 [0,1,0,1,0,0|1,0,1]=4 5232 B8R1.40 NCC(=O)CC1CC1 MCULE-2543196441 [0,1,0,1,0,0|1,0,0]=3 5233 B8R1.40 NCC(=O)CC1CC1 MCULE-5112659326 [0,1,0,1,0,0|1,0,0]=3 5234 B8R1.40 NCC(=O)NC1CC1 MCULE-2762684805 [0,1,0,1,0,0|2,0,0]=4 5235 B8R1.40 NCC(=O)NC1CC1 MCULE-4322562048 [0,1,0,1,0,0|2,0,0]=4 5236 B8R1.40 NCC(=O)OC1CC1 MCULE-9881697631 [0,1,0,1,0,0|2,0,0]=4 5237 B8R1.40 NNC(=O)CC1CC1 MCULE-5050226429 [0,1,0,1,0,0|1,0,0]=3 5238 B8R1.40 NNC(=O)NC1CC1 MCULE-4098919000 [0,1,0,1,0,0|2,0,0]=4 5239 B8R1.40 N[C@@H](CO)CC1CC1 MCULE-2751028745 [0,1,0,1,0,0|1,0,1]=4 5240 B8R1.40 N[C@@H](CO)CC1CC1 MCULE-5358245814 [0,1,0,1,0,0|1,0,1]=4 5241 B8R1.40 N[C@H](CO)CC1CC1 MCULE-2936761410 [0,1,0,1,0,0|1,0,1]=4 5242 B8R1.40 N[C@H](CO)CC1CC1 MCULE-4806571417 [0,1,0,1,0,0|1,0,1]=4 5243 B8R1.40 N[C@H](CO)CC1CC1 MCULE-6129944826 [0,1,0,1,0,0|1,0,1]=4 5244 B8R1.40 O=C(CBr)CC1CC1 MCULE-2483365582 [0,1,0,1,0,0|1,0,0]=3 5245 B8R1.40 O=C(CBr)NC1CC1 MCULE-4062220255 [0,1,0,1,0,0|2,0,0]=4 5246 B8R1.40 O=C(CCl)NC1CC1 MCULE-3538029068 [0,1,0,1,0,0|2,0,0]=4 5247 B8R1.40 O=C(CO)NC1CC1 MCULE-8403900056 [0,1,0,1,0,0|1,0,0]=3 5248 B8R1.40 O=C(CS)NC1CC1 MCULE-1359704742 [0,1,0,1,0,0|1,1,0]=4 5249 B8R1.42 CC(=O)CC1(CC1)C MCULE-3117561505 [0,1,0,1,0,0|1,0,0]=3 5250 B8R1.42 CC(=O)OC1(CC1)C MCULE-8484243192 [0,1,0,1,0,0|2,0,0]=4 5251 B8R1.42 CC1(CC1)CC(=O)O MCULE-1590977154 [0,1,0,1,0,0|0,0,0]=2 5252 B8R1.42 CC1(CC1)NC(=O)N MCULE-2689884910 [0,1,0,1,0,0|2,0,0]=4 5253 B8R1.42 CC1(N=N1)CC(=O)O MCULE-1987955811 [0,1,0,1,0,0|1,0,0]=3 5254 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,1,0,1,0,0|0,0,0]=2 5255 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,1,0,1,0,0|0,0,0]=2 5256 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,1,0,1,0,0|0,0,0]=2 5257 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,1,0,1,0,0|0,0,1]=3 5258 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,1,0,1,0,0|0,0,1]=3 5259 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,1,0,1,0,0|0,0,1]=3 5260 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,1,0,1,0,0|0,0,1]=3 5261 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,1,0,1,0,0|0,0,1]=3 5262 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,1,0,1,0,0|0,0,1]=3 5263 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,1,0,1,0,0|0,0,1]=3 5264 B8R1.43 CC(C)C1CC1CO MCULE-2405752880 [0,1,0,1,0,0|1,0,1]=4 5265 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,1,0,1,0,0|0,0,0]=2 5266 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,1,0,1,0,0|0,0,0]=2 5267 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,1,0,1,0,0|0,0,0]=2 5268 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,1,0,1,0,0|0,0,1]=3 5269 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,1,0,1,0,0|0,0,1]=3 5270 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,1,0,1,0,0|0,0,1]=3 5271 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,1,0,1,0,0|0,0,1]=3 5272 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,1,0,1,0,0|0,0,1]=3 5273 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,1,0,1,0,0|1,0,0]=3 5274 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,1,0,1,0,0|0,0,0]=2 5275 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,1,0,1,0,0|0,0,0]=2 5276 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,1,0,1,0,0|0,0,0]=2 5277 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,1,0,1,0,0|0,0,0]=2 5278 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,1,0,1,0,0|0,0,0]=2 5279 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,1,0,1,0,0|0,0,0]=2 5280 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,1,0,1,0,0|0,0,0]=2 5281 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,1,0,1,0,0|0,0,0]=2 5282 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,1,0,1,0,0|0,0,0]=2 5283 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,1,0,1,0,0|0,0,1]=3 5284 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,1,0,1,0,0|0,0,1]=3 5285 B8R1.53 CC1(C=C(C1)C#N)C MCULE-8156356140 [0,1,0,1,0,0|2,0,0]=4 5286 B8R1.53 CC1(CC(C1)C=O)C MCULE-1414928919 [0,1,0,1,0,0|1,0,1]=4 5287 B8R1.53 CC1(CC(C1)CN)O MCULE-7937499181 [0,1,0,1,0,0|1,0,1]=4 5288 B8R1.53 CC1(CC(C1)CN)O MCULE-8215295434 [0,1,0,1,0,0|1,0,1]=4 5289 B8R1.53 CC1(CC(C1)CO)C MCULE-4960689844 [0,1,0,1,0,0|1,0,1]=4 5290 B8R1.53 CC1(CC(C1)CO)O MCULE-8748762687 [0,1,0,1,0,0|1,0,1]=4 5291 B8R1.53 CC1(CC(O1)CBr)C MCULE-7044581119 [0,1,0,1,0,0|1,0,1]=4 5292 B8R1.53 CC1(CC(O1)CI)C MCULE-1691502850 [0,1,0,1,0,0|1,0,1]=4 5293 B8R1.53 CC1(CC(O1)CN)C MCULE-2171021070 [0,1,0,1,0,0|1,0,1]=4 5294 B8R1.53 CC1(CC(O1)CO)C MCULE-4486069537 [0,1,0,1,0,0|0,0,2]=4 5295 B8R1.53 CC1(C[C@@H](O1)CN)C MCULE-2255864352 [0,1,0,1,0,0|1,0,1]=4 5296 B8R1.53 CC1(C[C@@H](O1)CO)C MCULE-4245314494 [0,1,0,1,0,0|0,0,2]=4 5297 B8R1.53 CNC1CS(=O)(=O)C1 MCULE-1043461119 [0,1,0,1,0,0|1,0,1]=4 5298 B8R1.53 CNC1CS(=O)(=O)C1 MCULE-3881477285 [0,1,0,1,0,0|1,0,1]=4 5299 B8R1.53 C[C@@]1(C[C@H](C1)CN)O MCULE-2105482458 [0,1,0,1,0,0|1,0,1]=4 5300 B8R1.53 C[C@@]1(C[C@H](C1)CN)O MCULE-8687149478 [0,1,0,1,0,0|1,0,1]=4 5301 B8R1.53 NCC1CS(=O)(=O)C1 MCULE-8319652338 [0,1,0,1,0,0|1,0,1]=4 5302 B8R1.53 NCC1CS(=O)(=O)C1 MCULE-9564522493 [0,1,0,1,0,0|1,0,1]=4 5303 B8R1.53 O=S1(=O)CC(C1)CO MCULE-2778340142 [0,1,0,1,0,0|1,0,1]=4 5304 B8R1.53 [C@@H]1(C[C@](C1)(C)O)CN MCULE-6495615071 [0,1,0,1,0,0|1,0,1]=4 5305 B8R1.53 [C@@H]1(C[C@](C1)(C)O)CN MCULE-8603898788 [0,1,0,1,0,0|1,0,1]=4 5306 B8R1.62 C=C1CC(C1)(C)CO MCULE-1741458952 [0,1,0,1,0,0|2,0,0]=4 5307 B8R1.62 C=CC1(CC(=O)N1)C MCULE-1120869395 [0,1,0,1,0,0|1,0,1]=4 5308 B8R1.62 CC1(CC(=O)C1)C#N MCULE-4802252632 [0,1,0,1,0,0|1,0,1]=4 5309 B8R1.62 CC1(CC(=O)C1)CO MCULE-4643412830 [0,1,0,1,0,0|1,0,0]=3 5310 B8R1.62 CC1(CC(=O)N1)CCl MCULE-7182920776 [0,1,0,1,0,0|1,0,0]=3 5311 B8R1.62 CC1CC(C1)(N)CO MCULE-8274627147 [0,1,0,1,0,0|1,0,1]=4 5312 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [0,1,0,1,0,0|0,0,0]=2 5313 B8R1.83 CC1CC1/C(=N/O)/N MCULE-9358928072 [0,1,0,1,0,0|1,0,0]=3 5314 B8R1.83 CC1CC1C(=O)CCl MCULE-1203840849 [0,1,0,1,0,0|1,0,0]=3 5315 B8R1.83 CC1CC1C(=O)NN MCULE-3813713819 [0,1,0,1,0,0|1,0,0]=3 5316 B8R1.83 CCC(=O)C1CC1C MCULE-4552256059 [0,1,0,1,0,0|1,0,0]=3 5317 B8R1.83 COC(=O)C1CC1Br MCULE-8891645401 [0,1,0,1,0,0|1,0,0]=3 5318 B8R1.83 COC(=O)C1CC1C MCULE-9202068586 [0,1,0,1,0,0|0,0,0]=2 5319 B8R1.83 COC(=O)[C@@H]1C[C@@H]1Br MCULE-3965032710 [0,1,0,1,0,0|1,0,0]=3 5320 B8R1.83 COC(=O)[C@H]1C[C@@H]1Br MCULE-9083522272 [0,1,0,1,0,0|1,0,0]=3 5321 B8R1.21 CC1OC1P(=O)(O)O MCULE-5164420092 [0,1,0,1,0,0|2,0,0]=4 5322 B8R1.21 CC1OC1P(=O)([O-])O MCULE-7855698474 [0,1,0,1,0,0|2,0,0]=4 5323 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O MCULE-4962662046 [0,1,0,1,0,0|2,0,0]=4 5324 B8R1.21 C[C@@H]1O[C@@H]1P(=O)(O)O MCULE-6676633484 [0,1,0,1,0,0|2,0,0]=4 5325 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O MCULE-7204032188 [0,1,0,1,0,0|2,0,0]=4 5326 B8R1.21 C[C@H]1O[C@H]1P(=O)(O)O MCULE-9004478529 [0,1,0,1,0,0|2,0,0]=4 5327 B8R1.21 C[C@H]1O[C@H]1P(=O)([O-])O MCULE-7826606646 [0,1,0,1,0,0|2,0,0]=4 5328 B8R1.56 CC(C)(O)CC1CO1 MCULE-5422627688 [0,1,0,1,0,0|1,0,1]=4 5329 B8R1.56 NS(=O)(=O)CC1CC1 MCULE-8803855567 [0,1,0,1,0,0|1,0,1]=4 5330 B8R1.56 O=S(=O)(Cl)CC1CC1 MCULE-6475151264 [0,1,0,1,0,0|1,0,1]=4 5331 B8R1.56 O=S(=O)(F)CC1CC1 MCULE-9844683440 [0,1,0,1,0,0|1,0,1]=4 5332 B8R1.73 CC1(CS(=O)(=O)C1)N MCULE-1775541307 [0,1,0,1,0,0|1,0,1]=4 5333 B8R1.73 CC1(CS(=O)(=O)C1)N MCULE-3849274598 [0,1,0,1,0,0|1,0,1]=4 5334 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [0,1,0,1,0,0|1,0,0]=3 5335 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [0,1,0,1,0,0|1,0,0]=3 5336 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [0,1,0,1,0,0|0,0,0]=2 5337 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [0,1,0,1,0,0|1,0,0]=3 5338 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [0,1,0,1,0,0|1,0,0]=3 5339 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [0,1,0,1,0,0|1,0,0]=3 5340 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [0,1,0,1,0,0|1,0,0]=3 5341 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,1,0,1,0,0|0,0,2]=4 5342 B8R1.50 CC1=NOC(=O)C1C MCULE-6668573558 [0,1,0,1,0,0|1,0,1]=4 5343 B8R1.50 CC1C(=O)CCN1C MCULE-8191851293 [0,1,0,1,0,0|2,0,0]=4 5344 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,1,0,0|1,0,1]=4 5345 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,1,0,1,0,0|1,0,1]=4 5346 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,1,0,1,0,0|2,0,0]=4 5347 B8R1.50 CC1CCC(C1O)O MCULE-3292232581 [0,1,0,1,0,0|1,0,1]=4 5348 B8R1.50 CC1CNC(=O)C1C MCULE-7439537346 [0,1,0,1,0,0|1,0,0]=3 5349 B8R1.50 CC1OCC(=O)C1C MCULE-5834923125 [0,1,0,1,0,0|2,0,0]=4 5350 B8R1.50 N[C@@H]1C(=O)NC[C@H]1O MCULE-6840872048 [0,1,0,1,0,0|2,0,0]=4 5351 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,1,0,1,0,0|1,0,1]=4 5352 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,1,0,1,0,0|1,0,1]=4 5353 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,1,0,1,0,0|1,0,0]=3 5354 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,1,0,1,0,0|1,0,0]=3 5355 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,1,0,1,0,0|1,0,0]=3 5356 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,1,0,1,0,0|1,0,0]=3 5357 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,1,0,1,0,0|1,0,0]=3 5358 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,1,0,1,0,0|1,0,0]=3 5359 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,1,0,1,0,0|1,0,0]=3 5360 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,1,0,1,0,0|1,0,0]=3 5361 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [0,1,0,1,0,0|0,0,0]=2 5362 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [0,1,0,1,0,0|0,0,1]=3 5363 B8R1.54 CC(=C1CC1)C(=O)O MCULE-5864255450 [0,1,0,1,0,0|0,0,2]=4 5364 B8R1.54 CC(=O)C(=O)C1CC1 MCULE-6206613019 [0,1,0,1,0,0|1,0,1]=4 5365 B8R1.54 CC(=O)C(C)C1CC1 MCULE-9797389889 [0,1,0,1,0,0|1,0,0]=3 5366 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [0,1,0,1,0,0|0,0,0]=2 5367 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5863587661 [0,1,0,1,0,0|1,0,0]=3 5368 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5987826744 [0,1,0,1,0,0|1,0,0]=3 5369 B8R1.54 NC(=O)C(O)C1CC1 MCULE-4055290448 [0,1,0,1,0,0|1,0,0]=3 5370 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [0,1,0,1,0,0|0,0,0]=2 5371 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [0,1,0,1,0,0|0,0,0]=2 5372 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [0,1,0,1,0,0|0,0,0]=2 5373 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [0,1,0,1,0,0|0,0,0]=2 5374 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [0,1,0,1,0,0|0,0,0]=2 5375 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [0,1,0,1,0,0|0,0,0]=2 5376 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [0,1,0,1,0,0|0,0,1]=3 5377 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [0,1,0,1,0,0|0,0,0]=2 5378 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [0,1,0,1,0,0|0,0,0]=2 5379 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [0,1,0,1,0,0|0,0,0]=2 5380 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [0,1,0,1,0,0|0,0,0]=2 5381 B8R1.54 O=C([O-])C(=O)C1CC1 MCULE-3173453359 [0,1,0,1,0,0|0,0,2]=4 5382 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,0,0,2,0,0|1,0,0]=3 5383 B8R2.18 O=C1CC2CC2C1 MCULE-4411193370 [0,0,0,2,0,0|1,0,0]=3 5384 B8R2.18 O=C1CC2CC2N1 MCULE-6301280583 [0,0,0,2,0,0|1,0,0]=3 5385 B8R2.18 O=C1CC2OC2C1 MCULE-2497020989 [0,0,0,2,0,0|2,0,0]=4 5386 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 MCULE-3069760916 [0,0,0,2,0,0|1,0,0]=3 5387 B8R2.18 OC1CC2CC2C1 MCULE-8286897753 [0,0,0,2,0,0|1,0,1]=4 5388 B8R2.18 OC1C[C@@H]2C[C@H]2C1 MCULE-5372275932 [0,0,0,2,0,0|1,0,1]=4 5389 B8R2.18 [C@H]12C[C@@H](C[C@H]1C2)O MCULE-6709379275 [0,0,0,2,0,0|1,0,1]=4 5390 B8R2.18 [C@H]12C[C@H](C[C@H]1C2)O MCULE-6265084997 [0,0,0,2,0,0|1,0,1]=4 5391 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,2,0,0|1,0,0]=3 5392 B8R2.38 O=C1CCC2C1O2 MCULE-5532735099 [0,0,0,2,0,0|2,0,0]=4 5393 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,2,0,0|1,0,0]=3 5394 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,2,0,0|1,0,0]=3 5395 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,2,0,0|1,0,0]=3 5396 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [0,0,0,2,0,0|1,0,0]=3 5397 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [0,0,0,2,0,0|1,0,0]=3 5398 B8R2.38 OC1CCC2C1C2 MCULE-7193372575 [0,0,0,2,0,0|1,0,1]=4 5399 B8R2.38 O[C@@H]1CC[C@@H]2[C@H]1C2 MCULE-5135101961 [0,0,0,2,0,0|1,0,1]=4 5400 B8R2.53 O=C1CC2(C1)CC2 MCULE-9599930498 [0,0,0,2,0,0|1,0,0]=3 5401 B8R2.53 OC1CC2(C1)CC2 MCULE-9773066348 [0,0,0,2,0,0|1,0,1]=4 5402 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,2|0,0,2]=4 5403 B8R0.28 C=C(C)CCCC(C)C MCULE-5830488183 [0,0,0,0,0,2|2,0,0]=4 5404 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,2|0,0,1]=3 5405 B8R0.28 CC(=CCCC(C)C)Br MCULE-8539278626 [0,0,0,0,0,2|2,0,0]=4 5406 B8R0.28 CC(=O)/C=C/CC(C)C MCULE-3347834086 [0,0,0,0,0,2|1,0,0]=3 5407 B8R0.28 CC(=O)C=CCC(C)C MCULE-7397904120 [0,0,0,0,0,2|1,0,0]=3 5408 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,2|1,0,1]=4 5409 B8R0.28 CC(=O)CC=CC(C)C MCULE-1638476368 [0,0,0,0,0,2|1,0,0]=3 5410 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,0,0,0,0,2|1,0,1]=4 5411 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,2|1,0,1]=4 5412 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,0,0,0,0,2|1,0,0]=3 5413 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,0,0,0,0,2|2,0,0]=4 5414 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [0,0,0,0,0,2|1,0,0]=3 5415 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,0,0,0,0,2|1,0,0]=3 5416 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,0,0,0,0,2|1,0,0]=3 5417 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [0,0,0,0,0,2|1,0,0]=3 5418 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,2|1,0,1]=4 5419 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [0,0,0,0,0,2|1,0,0]=3 5420 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [0,0,0,0,0,2|1,0,1]=4 5421 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,2|1,0,1]=4 5422 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [0,0,0,0,0,2|1,0,0]=3 5423 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [0,0,0,0,0,2|2,0,0]=4 5424 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,2|1,0,1]=4 5425 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,0,0,0,0,2|0,0,0]=2 5426 B8R0.28 CC(C)C/C=C/B(O)O MCULE-5702659904 [0,0,0,0,0,2|1,0,1]=4 5427 B8R0.28 CC(C)C/C=C/N(=O)=O MCULE-5334415394 [0,0,0,0,0,2|1,0,1]=4 5428 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,0,0,0,0,2|0,0,0]=2 5429 B8R0.28 CC(C)CC=CB(O)O MCULE-6244763779 [0,0,0,0,0,2|1,0,1]=4 5430 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,0,0,0,0,2|0,0,0]=2 5431 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,0,0,0,2|0,0,0]=2 5432 B8R0.28 CC(C)CCCC(C)O MCULE-6655675430 [0,0,0,0,0,2|1,0,1]=4 5433 B8R0.28 CC(C)CCCN(=O)=O MCULE-2817926193 [0,0,0,0,0,2|1,0,1]=4 5434 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [0,0,0,0,0,2|1,0,0]=3 5435 B8R0.28 CC(C)CCNC(=S)N MCULE-3531703173 [0,0,0,0,0,2|1,1,0]=4 5436 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [0,0,0,0,0,2|1,0,0]=3 5437 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-5735238485 [0,0,0,0,0,2|0,2,0]=4 5438 B8R0.28 CC(C)CCOC(=S)[S-] MCULE-6041602768 [0,0,0,0,0,2|0,2,0]=4 5439 B8R0.28 CC(C)CCON(=O)=O MCULE-4421216319 [0,0,0,0,0,2|1,0,1]=4 5440 B8R0.28 CC(C)CCSC(=N)N MCULE-2814891417 [0,0,0,0,0,2|2,0,0]=4 5441 B8R0.28 CC(C)CCSC(=N)N MCULE-6341574593 [0,0,0,0,0,2|2,0,0]=4 5442 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,0,0,0,0,2|1,0,0]=3 5443 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,0,0,0,0,2|1,0,0]=3 5444 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,0,0,0,0,2|0,0,0]=2 5445 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,0,0,0,0,2|0,0,0]=2 5446 B8R0.28 CC(C)CNCC(C)O MCULE-5110606510 [0,0,0,0,0,2|1,0,1]=4 5447 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [0,0,0,0,0,2|1,0,0]=3 5448 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,0,0,0,0,2|0,0,0]=2 5449 B8R0.28 CC(C)COCC(C)O MCULE-2243697829 [0,0,0,0,0,2|1,0,1]=4 5450 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,0,0,0,0,2|0,0,0]=2 5451 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,0,0,0,0,2|1,0,0]=3 5452 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,0,0,0,0,2|0,0,0]=2 5453 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,0,0,0,0,2|0,0,0]=2 5454 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,0,0,0,0,2|0,0,0]=2 5455 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,0,0,0,0,2|0,0,0]=2 5456 B8R0.28 CC(Cl)CCCC(=O)Cl MCULE-6993455396 [0,0,0,0,0,2|2,0,0]=4 5457 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,0,2|1,0,0]=3 5458 B8R0.28 CC(O)CCCC(=O)[O-] MCULE-7722587632 [0,0,0,0,0,2|1,0,1]=4 5459 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [0,0,0,0,0,2|1,0,0]=3 5460 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [0,0,0,0,0,2|1,0,0]=3 5461 B8R0.28 CN(C)CC#CC(=O)O MCULE-3155038032 [0,0,0,0,0,2|1,0,0]=3 5462 B8R0.28 CN(C)CC#CC(=O)O MCULE-3234500613 [0,0,0,0,0,2|1,0,0]=3 5463 B8R0.28 CN(C)CC#CC(=O)[O-] MCULE-1783042987 [0,0,0,0,0,2|1,0,1]=4 5464 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [0,0,0,0,0,2|1,0,0]=3 5465 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [0,0,0,0,0,2|1,0,0]=3 5466 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,0,0,0,0,2|2,0,0]=4 5467 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,0,0,0,0,2|2,0,0]=4 5468 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,0,0,0,2|1,0,0]=3 5469 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,0,0,0,2|1,0,0]=3 5470 B8R0.28 CN(C)CCNC(=O)N MCULE-5420989663 [0,0,0,0,0,2|2,0,0]=4 5471 B8R0.28 CN(C)CCNC(=O)N MCULE-6784836791 [0,0,0,0,0,2|2,0,0]=4 5472 B8R0.28 O=C(O)CCCC(F)F MCULE-1906281877 [0,0,0,0,0,2|2,0,0]=4 5473 B8R0.28 O=C(O)COCC(F)F MCULE-2599944385 [0,0,0,0,0,2|2,0,0]=4