0 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,0,0,0,0,0|1,0,1]=2 3 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,0,0,0,0,0|2,0,2]=4 5 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.2 CC(=CB(O)O)C MCULE-5305023524 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,0,0,0,0,0|1,0,1]=2 12 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,0,0,0,0,0|2,0,1]=3 13 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,0,0,0,0,0|2,0,1]=3 14 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.2 CC(=CC(C)C)C MCULE-5460531772 [0,0,0,0,0,0|3,0,1]=4 16 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,0,0,0,0,0|2,0,2]=4 17 B6R0.2 CC(=CN(=O)=O)C MCULE-7745125648 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,0,0,0,0,0|3,0,0]=3 19 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [0,0,0,0,0,0|4,0,0]=4 20 B6R0.2 CC(=NN(C)C)C MCULE-6010928278 [0,0,0,0,0,0|3,0,0]=3 21 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,0,0,0,0,0|3,0,1]=4 22 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,0,0,0,0,0|2,0,1]=3 26 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,0,0,0,0,0|3,0,1]=4 28 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,0,0,0,0,0|3,0,1]=4 29 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,0,0,0,0,0|3,0,0]=3 30 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,0,0,0,0,0|3,0,0]=3 31 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,0,0,0,0,0|2,0,0]=2 32 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,0,0,0,0,0|2,0,1]=3 33 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,0,0,0,0,0|2,0,1]=3 34 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,0,0,0,0,0|2,0,0]=2 35 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,0,0,0,0,0|3,0,0]=3 36 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,0,0,0,0,0|3,0,0]=3 37 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,0,0,0,0,0|3,0,0]=3 38 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,0,0,0,0,0|1,0,0]=1 40 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,0,0,0,0,0|3,0,0]=3 41 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,0,0,0,0,0|3,0,0]=3 42 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,0,0,0,0,0|4,0,0]=4 43 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,0,0,0,0,0|4,0,0]=4 44 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,0,0,0,0,0|3,0,0]=3 45 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,0,0,0,0,0|2,0,0]=2 46 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,0,0,0,0,0|2,0,0]=2 47 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,0,0,0,0,0|4,0,0]=4 48 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,0,0,0,0,0|4,0,0]=4 49 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,0,0,0,0,0|3,0,0]=3 50 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,0,0,0,0,0|4,0,0]=4 51 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,0,0,0,0,0|4,0,0]=4 52 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,0,0,0,0,0|3,0,1]=4 53 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,0,0,0,0,0|2,0,0]=2 55 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,0,0,0,0,0|3,1,0]=4 56 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [0,0,0,0,0,0|2,0,1]=3 57 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,0,0,0,0,0|3,0,0]=3 58 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,0,0,0,0,0|3,0,0]=3 59 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,0,0,0,0,0|3,0,0]=3 60 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,0,0,0,0,0|2,0,0]=2 61 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,0,0,0,0,0|2,0,0]=2 62 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,0,0,0,0,0|1,0,0]=1 63 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,0,0,0,0,0|2,1,0]=3 64 B6R0.2 CC(C)CC(C)Br MCULE-1549882864 [0,0,0,0,0,0|3,0,1]=4 65 B6R0.2 CC(C)CC(C)C MCULE-1646863110 [0,0,0,0,0,0|3,0,1]=4 66 B6R0.2 CC(C)CC(C)I MCULE-6965017338 [0,0,0,0,0,0|3,0,1]=4 67 B6R0.2 CC(C)CC(C)N MCULE-1144229692 [0,0,0,0,0,0|3,0,1]=4 68 B6R0.2 CC(C)CC(C)N MCULE-5992377656 [0,0,0,0,0,0|3,0,1]=4 69 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,0,0,0,0,0|2,0,1]=3 70 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [0,0,0,0,0,0|2,0,1]=3 71 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [0,0,0,0,0,0|2,0,1]=3 73 B6R0.2 CC(C)C[C@@H](C)N MCULE-5902933285 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.2 CC(C)C[C@@H](C)N MCULE-7208228535 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,0,0,0,0,0|2,0,1]=3 76 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,0,0,0,0,0|2,0,1]=3 77 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [0,0,0,0,0,0|4,0,0]=4 78 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [0,0,0,0,0,0|4,0,0]=4 79 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [0,0,0,0,0,0|4,0,0]=4 80 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [0,0,0,0,0,0|4,0,0]=4 81 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,0,0,0,0,0|3,0,0]=3 82 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [0,0,0,0,0,0|3,1,0]=4 83 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,0,0,0,0,0|4,0,0]=4 84 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,0,0,0,0,0|4,0,0]=4 85 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,0,0,0,0,0|3,0,0]=3 86 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,0,0,0,0,0|3,0,0]=3 87 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [0,0,0,0,0,0|2,2,0]=4 88 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [0,0,0,0,0,0|2,2,0]=4 89 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [0,0,0,0,0,0|2,2,0]=4 90 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [0,0,0,0,0,0|3,0,1]=4 91 B6R0.2 CC(C)SC(=N)N MCULE-1974434339 [0,0,0,0,0,0|4,0,0]=4 92 B6R0.2 CC(C)SC(=N)N MCULE-3570639733 [0,0,0,0,0,0|4,0,0]=4 93 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,0,0,0,0,0|3,0,0]=3 94 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,0,0,0,0,0|3,0,0]=3 95 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,0,0,0,0,0|2,0,0]=2 96 B6R0.2 CC(Cl)CN(C)C MCULE-6738916847 [0,0,0,0,0,0|2,0,1]=3 97 B6R0.2 CC(Cl)CN(C)C MCULE-7074789151 [0,0,0,0,0,0|2,0,1]=3 98 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,0,0,0,0,0|4,0,0]=4 99 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,0,0,0,0,0|2,0,0]=2 100 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,0,0,0,0,0|3,0,0]=3 101 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,0,0,0,0,0|3,0,0]=3 102 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,0,0,0,0,0|2,0,0]=2 103 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,0,0,0,0,0|2,0,0]=2 104 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,0,0,0,0,0|2,0,0]=2 105 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,0,0,0,0,0|2,0,0]=2 106 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,0,0,0,0,0|3,0,1]=4 107 B6R0.2 CC(N)CN(C)C MCULE-4834268309 [0,0,0,0,0,0|2,0,1]=3 108 B6R0.2 CC(N)CN(C)C MCULE-9601630435 [0,0,0,0,0,0|2,0,1]=3 109 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,0,0,0,0,0|4,0,0]=4 110 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,0,0,0,0,0|3,0,0]=3 111 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,0,0,0,0,0|2,0,0]=2 112 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,0,0,0,0,0|2,0,0]=2 113 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,0,0,0,0,0|2,0,1]=3 114 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,0,0,0,0,0|2,0,1]=3 115 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,0,0,0,0,0|3,0,1]=4 116 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,0,0,0,0,0|3,0,1]=4 117 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [0,0,0,0,0,0|1,0,1]=2 118 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [0,0,0,0,0,0|1,0,1]=2 119 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,0,0,0,0,0|2,0,1]=3 120 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,0,0,0,0,0|3,0,1]=4 121 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,0,0,0,0,0|1,0,0]=1 122 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,0,0,0,0,0|1,0,0]=1 123 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,0,0,0,0,0|1,0,0]=1 124 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,0,0,0,0,0|0,0,0]=0 125 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,0,0,0,0,0|0,0,0]=0 126 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,0,0,0,0,0|0,0,1]=1 127 B6R0.2 CN(C)CC(=S)N MCULE-3863789639 [0,0,0,0,0,0|1,1,0]=2 128 B6R0.2 CN(C)CC(=S)N MCULE-8756068308 [0,0,0,0,0,0|1,1,0]=2 129 B6R0.2 CN(C)CN(C)C MCULE-3005702067 [0,0,0,0,0,0|3,0,0]=3 130 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,0,0,0,0,0|2,0,0]=2 131 B6R0.2 CP(C)CP(C)C MCULE-8035066175 [0,0,0,0,0,0|3,1,0]=4 132 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,0,0,0,0,0|2,0,0]=2 133 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,0,0,0,0,0|2,0,0]=2 134 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,0,0,0,0,0|2,0,0]=2 135 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,0,0,0,0,0|2,0,0]=2 136 B6R0.2 C[C@@H](N)CN(C)C MCULE-2034828409 [0,0,0,0,0,0|2,0,1]=3 137 B6R0.2 C[C@@H](N)CN(C)C MCULE-2147556460 [0,0,0,0,0,0|2,0,1]=3 138 B6R0.2 C[C@@H](N)CN(C)C MCULE-6097836560 [0,0,0,0,0,0|2,0,1]=3 139 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,0,0,0,0,0|2,0,0]=2 140 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,0,0,0,0,0|2,0,0]=2 141 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,0,0,0,0,0|2,0,1]=3 142 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,0,0,0,0,0|2,0,1]=3 143 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [0,0,0,0,0,0|1,0,1]=2 144 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [0,0,0,0,0,0|1,0,1]=2 145 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,0,0,0,0,0|3,0,1]=4 146 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,0,0,0,0,0|3,0,1]=4 147 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,0,0,0,0,0|3,0,1]=4 148 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,0,0,0,0,0|2,0,0]=2 149 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,0,0,0,0,0|2,0,0]=2 150 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,0,0,0,0,0|2,0,0]=2 151 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,0,0,0,0,0|2,0,0]=2 152 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,0,0,0,0,0|2,0,0]=2 153 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,0,0,0,0,0|2,0,0]=2 154 B6R0.2 C[C@H](N)CN(C)C MCULE-2526118342 [0,0,0,0,0,0|2,0,1]=3 155 B6R0.2 C[C@H](N)CN(C)C MCULE-3902055308 [0,0,0,0,0,0|2,0,1]=3 156 B6R0.2 C[C@H](N)CN(C)C MCULE-4292583182 [0,0,0,0,0,0|2,0,1]=3 157 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,0,0,0,0,0|2,0,0]=2 158 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,0,0,0,0,0|2,0,0]=2 159 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,0,0,0,0,0|2,0,1]=3 160 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,0,0,0,0,0|2,0,1]=3 161 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [0,0,0,0,0,0|1,0,1]=2 162 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [0,0,0,0,0,0|1,0,1]=2 163 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,0,0,0,0,0|3,0,1]=4 164 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,0,0,0,0,0|3,0,1]=4 165 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,0,0,0,0,0|1,0,1]=2 166 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,0,0,0,0,0|1,0,1]=2 167 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,0,0,0,0,0|4,0,0]=4 168 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,0,0,0,0,0|4,0,0]=4 169 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,0,0,0,0,0|4,0,0]=4 170 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,0,0,0,0,0|3,0,0]=3 171 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,0,0,0,0,0|4,0,0]=4 172 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,0,0,0,0,0|3,0,1]=4 173 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,0,0,0,0,0|3,0,1]=4 174 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,0,0,0,0,0|3,0,0]=3 175 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,0,0,0,0,0|3,0,0]=3 176 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,0,0,0,0,0|4,0,0]=4 177 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,0,0,0,0,0|3,0,1]=4 178 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,0,0,0,0,0|3,0,1]=4 179 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,0,0,0,0,0|3,0,0]=3 180 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,0,0,0,0,0|3,0,0]=3 181 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,0,0,0,0,0|3,0,0]=3 182 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,0,0,0,0,0|2,0,1]=3 183 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,0,0,0,0,0|3,0,1]=4 184 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,0,0,0,0,0|3,0,1]=4 185 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,0,0,0,0,0|2,0,2]=4 186 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [0,0,0,0,0,0|3,0,1]=4 187 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [0,0,0,0,0,0|3,0,1]=4 188 B5R0.1 C#CCC(=O)O MCULE-4680699666 [1,0,0,0,0,0|1,0,1]=3 189 B5R0.1 C#CCC(C)C MCULE-2506063278 [1,0,0,0,0,0|2,0,1]=4 190 B5R0.1 C#CCN(C)C MCULE-1589925874 [1,0,0,0,0,0|1,0,1]=3 191 B5R0.1 C(C)(N)CCO MCULE-5545469271 [1,0,0,0,0,0|2,0,1]=4 192 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,0,0,0,0|2,0,1]=4 193 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,0,0,0,0|2,0,1]=4 194 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|2,0,1]=4 195 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|1,0,1]=3 196 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [1,0,0,0,0,0|2,0,1]=4 197 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,0,0,0,0,0|3,0,0]=4 198 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,0,0,0,0|3,0,0]=4 199 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,0,0,0,0|1,0,2]=4 200 B5R0.1 C=C(C)CNC MCULE-6783886553 [1,0,0,0,0,0|2,0,0]=3 201 B5R0.1 C=C(C)CNC MCULE-8292313282 [1,0,0,0,0,0|2,0,0]=3 202 B5R0.1 C=C(C)CNN MCULE-1117931770 [1,0,0,0,0,0|3,0,0]=4 203 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,0,0,0,0,0|2,0,1]=4 204 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,0,0,0,0|2,0,1]=4 205 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [1,0,0,0,0,0|2,0,1]=4 206 B5R0.1 C=CCC(=O)N MCULE-1205335257 [1,0,0,0,0,0|2,0,1]=4 207 B5R0.1 C=CCC(=O)O MCULE-6288979337 [1,0,0,0,0,0|1,0,1]=3 208 B5R0.1 C=CCC(C)Br MCULE-5638987302 [1,0,0,0,0,0|3,0,0]=4 209 B5R0.1 C=CCC(C)C MCULE-4586731422 [1,0,0,0,0,0|2,0,0]=3 210 B5R0.1 C=CCC(C)N MCULE-5354228552 [1,0,0,0,0,0|3,0,0]=4 211 B5R0.1 C=CCC(C)N MCULE-9454660067 [1,0,0,0,0,0|3,0,0]=4 212 B5R0.1 C=CCC(C)O MCULE-7724200334 [1,0,0,0,0,0|3,0,0]=4 213 B5R0.1 C=CCC(C)O MCULE-9910771503 [1,0,0,0,0,0|3,0,0]=4 214 B5R0.1 C=CCN(C)C MCULE-6958853335 [1,0,0,0,0,0|1,0,0]=2 215 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [1,0,0,0,0,0|3,0,0]=4 216 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [1,0,0,0,0,0|3,0,0]=4 217 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [1,0,0,0,0,0|3,0,0]=4 218 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [1,0,0,0,0,0|3,0,0]=4 219 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [1,0,0,0,0,0|3,0,0]=4 220 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [1,0,0,0,0,0|3,0,0]=4 221 B5R0.1 C=COC(C)C MCULE-6339383821 [1,0,0,0,0,0|3,0,0]=4 222 B5R0.1 C=NCC(=O)N MCULE-7609497329 [1,0,0,0,0,0|1,0,2]=4 223 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,0,0,0,0|2,0,1]=4 224 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [1,0,0,0,0,0|2,0,1]=4 225 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|1,0,1]=3 226 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,0,0,0,0|1,0,1]=3 227 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,0,0,0,0|2,0,1]=4 228 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,0,0,0,0|2,0,1]=4 229 B5R0.1 CC(=CCO)C MCULE-3984123588 [1,0,0,0,0,0|1,0,2]=4 230 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|3,0,0]=4 231 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|3,0,0]=4 232 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|3,0,0]=4 233 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|3,0,0]=4 234 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|3,0,0]=4 235 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|2,0,1]=4 236 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [1,0,0,0,0,0|2,0,1]=4 237 B5R0.1 CC(C)C=NO MCULE-9842574696 [1,0,0,0,0,0|2,0,1]=4 238 B5R0.1 CC(C)CC#N MCULE-4346986727 [1,0,0,0,0,0|2,0,1]=4 239 B5R0.1 CC(C)CC=O MCULE-2939497534 [1,0,0,0,0,0|1,0,0]=2 240 B5R0.1 CC(C)CCBr MCULE-7163010428 [1,0,0,0,0,0|2,0,1]=4 241 B5R0.1 CC(C)CCCl MCULE-8360122696 [1,0,0,0,0,0|2,0,1]=4 242 B5R0.1 CC(C)CCCl MCULE-9017922949 [1,0,0,0,0,0|2,0,1]=4 243 B5R0.1 CC(C)CCI MCULE-4934529500 [1,0,0,0,0,0|2,0,1]=4 244 B5R0.1 CC(C)CCN MCULE-3081003576 [1,0,0,0,0,0|2,0,1]=4 245 B5R0.1 CC(C)CCN MCULE-5118782389 [1,0,0,0,0,0|2,0,1]=4 246 B5R0.1 CC(C)CCN MCULE-5217981670 [1,0,0,0,0,0|2,0,1]=4 247 B5R0.1 CC(C)CCN MCULE-6280940933 [1,0,0,0,0,0|2,0,1]=4 248 B5R0.1 CC(C)CCO MCULE-7411270401 [1,0,0,0,0,0|1,0,1]=3 249 B5R0.1 CC(C)CCS MCULE-7115473363 [1,0,0,0,0,0|1,1,1]=4 250 B5R0.1 CC(C)CNN MCULE-6797887001 [1,0,0,0,0,0|3,0,0]=4 251 B5R0.1 CC(C)CNN MCULE-9592971233 [1,0,0,0,0,0|3,0,0]=4 252 B5R0.1 CC(C)CNN MCULE-9725792452 [1,0,0,0,0,0|3,0,0]=4 253 B5R0.1 CC(C)CON MCULE-3476786246 [1,0,0,0,0,0|3,0,0]=4 254 B5R0.1 CC(C)CON MCULE-4450654727 [1,0,0,0,0,0|3,0,0]=4 255 B5R0.1 CC(C)N=C=O MCULE-8392299675 [1,0,0,0,0,0|2,0,1]=4 256 B5R0.1 CC(C)NC=O MCULE-1764010394 [1,0,0,0,0,0|2,0,0]=3 257 B5R0.1 CC(C)OC=O MCULE-8263698122 [1,0,0,0,0,0|2,0,0]=3 258 B5R0.1 CC(Cl)CCO MCULE-1955496242 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.1 CC(N)CCO MCULE-1771399942 [1,0,0,0,0,0|2,0,1]=4 260 B5R0.1 CC(N)CCO MCULE-7239872808 [1,0,0,0,0,0|2,0,1]=4 261 B5R0.1 CC(O)CCO MCULE-1694239851 [1,0,0,0,0,0|2,0,1]=4 262 B5R0.1 CC(O)CCO MCULE-7784884948 [1,0,0,0,0,0|2,0,1]=4 263 B5R0.1 CC(O)CNN MCULE-4956670781 [1,0,0,0,0,0|2,0,1]=4 264 B5R0.1 CC(O)CNN MCULE-7917439573 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.1 CC(S)CCO MCULE-5702212503 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,0,0,0,0|2,0,1]=4 267 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,0,0,0,0|2,0,1]=4 268 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|2,0,1]=4 269 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|1,0,1]=3 270 B5R0.1 CC=CC(C)C MCULE-9898453837 [1,0,0,0,0,0|2,0,1]=4 271 B5R0.1 CC=NN(C)C MCULE-7039280578 [1,0,0,0,0,0|2,0,0]=3 272 B5R0.1 CCCB(O)O MCULE-4994980798 [1,0,0,0,0,0|2,0,1]=4 273 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,0,0,0,0|3,0,0]=4 274 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,0,0,0,0|3,0,0]=4 275 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|2,0,0]=3 276 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|2,0,0]=3 277 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|2,0,0]=3 278 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|1,0,0]=2 279 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|1,0,1]=3 280 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|1,0,1]=3 281 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,0,0,0,0|2,1,0]=4 282 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|1,1,0]=3 283 B5R0.1 CCCC(C)C MCULE-9604552974 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.1 CCCC(C)O MCULE-8205906299 [1,0,0,0,0,0|2,0,1]=4 285 B5R0.1 CCCC(O)Cl MCULE-3188577082 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.1 CCCN(C)C MCULE-8702643596 [1,0,0,0,0,0|1,0,1]=3 288 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,0,0,0,0|2,0,1]=4 289 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,0,0,0,0|2,0,1]=4 290 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,0,0,0,0,0|2,0,1]=4 291 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,0,0,0,0,0|2,0,1]=4 292 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|3,0,0]=4 293 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|3,0,0]=4 294 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|3,0,0]=4 295 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|3,0,0]=4 296 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|3,0,0]=4 297 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|3,0,0]=4 298 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|3,0,0]=4 299 B5R0.1 CN(C)CC#N MCULE-7617361185 [1,0,0,0,0,0|1,0,1]=3 300 B5R0.1 CN(C)CC=O MCULE-1229218563 [1,0,0,0,0,0|0,0,0]=1 301 B5R0.1 CN(C)CC=O MCULE-3577561950 [1,0,0,0,0,0|0,0,0]=1 302 B5R0.1 CN(C)CC=O MCULE-4493766862 [1,0,0,0,0,0|0,0,0]=1 303 B5R0.1 CN(C)CC=O MCULE-8123455398 [1,0,0,0,0,0|0,0,0]=1 304 B5R0.1 CN(C)CCBr MCULE-4844398053 [1,0,0,0,0,0|1,0,1]=3 305 B5R0.1 CN(C)CCCl MCULE-4297554717 [1,0,0,0,0,0|1,0,1]=3 306 B5R0.1 CN(C)CCCl MCULE-4465544992 [1,0,0,0,0,0|1,0,1]=3 307 B5R0.1 CN(C)CCI MCULE-4687894526 [1,0,0,0,0,0|1,0,1]=3 308 B5R0.1 CN(C)CCI MCULE-7464680246 [1,0,0,0,0,0|1,0,1]=3 309 B5R0.1 CN(C)CCI MCULE-9051868668 [1,0,0,0,0,0|1,0,1]=3 310 B5R0.1 CN(C)CCN MCULE-6693759372 [1,0,0,0,0,0|1,0,1]=3 311 B5R0.1 CN(C)CCN MCULE-6929925748 [1,0,0,0,0,0|1,0,1]=3 312 B5R0.1 CN(C)CCN MCULE-7881547574 [1,0,0,0,0,0|1,0,1]=3 313 B5R0.1 CN(C)CCO MCULE-5715813465 [1,0,0,0,0,0|0,0,1]=2 314 B5R0.1 CN(C)CCO MCULE-7567469160 [1,0,0,0,0,0|0,0,1]=2 315 B5R0.1 CN(C)CCO MCULE-9024108074 [1,0,0,0,0,0|0,0,1]=2 316 B5R0.1 CN(C)CCS MCULE-4356815596 [1,0,0,0,0,0|0,1,1]=3 317 B5R0.1 CN(C)CCS MCULE-4611688723 [1,0,0,0,0,0|0,1,1]=3 318 B5R0.1 CN(C)CCS MCULE-6259585517 [1,0,0,0,0,0|0,1,1]=3 319 B5R0.1 CN(C)NC=O MCULE-1557896286 [1,0,0,0,0,0|1,0,0]=2 320 B5R0.1 CN(N)CCN MCULE-2782966878 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.1 CN=CN(C)C MCULE-2522407175 [1,0,0,0,0,0|2,0,1]=4 322 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|1,0,0]=2 323 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|1,0,0]=2 324 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|1,0,0]=2 325 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|1,0,0]=2 326 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|1,0,0]=2 327 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|0,0,0]=1 328 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|0,0,0]=1 329 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|0,0,1]=2 330 B5R0.1 CNCC(C)C MCULE-6582386339 [1,0,0,0,0,0|2,0,1]=4 331 B5R0.1 CNCC(C)C MCULE-6856717783 [1,0,0,0,0,0|2,0,1]=4 332 B5R0.1 CNCC(C)F MCULE-4381138647 [1,0,0,0,0,0|2,0,1]=4 333 B5R0.1 CNCC(C)F MCULE-9018181183 [1,0,0,0,0,0|2,0,1]=4 334 B5R0.1 CNCC(C)O MCULE-3671071529 [1,0,0,0,0,0|1,0,1]=3 335 B5R0.1 CNCC(C)O MCULE-4171705304 [1,0,0,0,0,0|1,0,1]=3 336 B5R0.1 CNCC(Cl)Cl MCULE-1176483469 [1,0,0,0,0,0|2,0,1]=4 337 B5R0.1 CNCC(Cl)Cl MCULE-8474434261 [1,0,0,0,0,0|2,0,1]=4 338 B5R0.1 CNCC(F)F MCULE-3004221847 [1,0,0,0,0,0|2,0,1]=4 339 B5R0.1 CNCC(F)F MCULE-5997956111 [1,0,0,0,0,0|2,0,1]=4 340 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [1,0,0,0,0,0|1,0,1]=3 341 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [1,0,0,0,0,0|1,0,1]=3 342 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [1,0,0,0,0,0|1,0,1]=3 343 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [1,0,0,0,0,0|1,0,1]=3 344 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [1,0,0,0,0,0|1,0,1]=3 345 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [1,0,0,0,0,0|1,0,1]=3 346 B5R0.1 CNN=C(C)C MCULE-6307375856 [1,0,0,0,0,0|3,0,0]=4 347 B5R0.1 CNNC(=S)N MCULE-5838387497 [1,0,0,0,0,0|2,1,0]=4 348 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,0,0,0,0|2,0,0]=3 349 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,0,0,0,0|2,0,0]=3 350 B5R0.1 COCC(=N)N MCULE-4711728356 [1,0,0,0,0,0|3,0,0]=4 351 B5R0.1 COCC(=N)N MCULE-7163250467 [1,0,0,0,0,0|3,0,0]=4 352 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|2,0,0]=3 353 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|2,0,0]=3 354 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|2,0,0]=3 355 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|1,0,0]=2 356 B5R0.1 COCC(=S)N MCULE-2046809269 [1,0,0,0,0,0|2,1,0]=4 357 B5R0.1 COCC(C)O MCULE-4022733014 [1,0,0,0,0,0|2,0,1]=4 358 B5R0.1 COCC(C)O MCULE-7513310960 [1,0,0,0,0,0|2,0,1]=4 359 B5R0.1 COCN(C)C MCULE-1963225930 [1,0,0,0,0,0|2,0,0]=3 360 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [1,0,0,0,0,0|2,0,1]=4 361 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [1,0,0,0,0,0|2,0,1]=4 362 B5R0.1 COC[C@H](C)O MCULE-5908531683 [1,0,0,0,0,0|2,0,1]=4 363 B5R0.1 COC[C@H](C)O MCULE-8619138238 [1,0,0,0,0,0|2,0,1]=4 364 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,0,0,0,0|3,0,0]=4 365 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,0,0,0,0|3,0,0]=4 366 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|2,0,1]=4 367 B5R0.1 CSCC(=N)N MCULE-7800929509 [1,0,0,0,0,0|3,0,0]=4 368 B5R0.1 CSCC(=N)N MCULE-8499985777 [1,0,0,0,0,0|3,0,0]=4 369 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|2,0,0]=3 370 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|2,0,0]=3 371 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|2,0,0]=3 372 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|1,0,0]=2 373 B5R0.1 CSCC(=S)N MCULE-5029100305 [1,0,0,0,0,0|2,1,0]=4 374 B5R0.1 CSCC(C)O MCULE-2227652351 [1,0,0,0,0,0|2,0,1]=4 375 B5R0.1 CSCN(C)C MCULE-2931143051 [1,0,0,0,0,0|2,0,0]=3 376 B5R0.1 CSCS(=O)C MCULE-3167702486 [1,0,0,0,0,0|3,0,0]=4 377 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,0,0,0,0|3,0,0]=4 378 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [1,0,0,0,0,0|2,0,1]=4 379 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [1,0,0,0,0,0|2,0,1]=4 380 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [1,0,0,0,0,0|2,0,1]=4 381 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [1,0,0,0,0,0|2,0,1]=4 382 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [1,0,0,0,0,0|2,0,1]=4 383 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [1,0,0,0,0,0|2,0,1]=4 384 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [1,0,0,0,0,0|2,0,1]=4 385 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [1,0,0,0,0,0|2,0,1]=4 386 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [1,0,0,0,0,0|2,0,1]=4 387 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [1,0,0,0,0,0|2,0,1]=4 388 B5R0.1 C[NH+](C)CCBr MCULE-4990293495 [1,0,0,0,0,0|1,0,2]=4 389 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [1,0,0,0,0,0|2,0,1]=4 390 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [1,0,0,0,0,0|2,0,1]=4 391 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|2,0,1]=4 392 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [1,0,0,0,0,0|3,0,0]=4 393 B5R0.1 N#CCC(=O)N MCULE-8538286230 [1,0,0,0,0,0|3,0,0]=4 394 B5R0.1 N#CCC(=O)O MCULE-3440765061 [1,0,0,0,0,0|2,0,0]=3 395 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [1,0,0,0,0,0|2,0,1]=4 396 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [1,0,0,0,0,0|2,0,1]=4 397 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|3,0,0]=4 398 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|3,0,0]=4 399 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|3,0,0]=4 400 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|3,0,0]=4 401 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|3,0,0]=4 402 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|3,0,0]=4 403 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|3,0,0]=4 404 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|2,0,0]=3 405 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|2,0,0]=3 406 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|2,0,0]=3 407 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|2,0,1]=4 408 B5R0.1 NCCP(=O)O MCULE-7093964616 [1,0,0,0,0,0|3,0,0]=4 409 B5R0.1 NCCS(=O)O MCULE-4372248641 [1,0,0,0,0,0|3,0,0]=4 410 B5R0.1 NNCC(=O)N MCULE-2794619708 [1,0,0,0,0,0|2,0,0]=3 411 B5R0.1 NNCC(=O)N MCULE-6773156087 [1,0,0,0,0,0|2,0,0]=3 412 B5R0.1 NNCC(=O)O MCULE-4908184724 [1,0,0,0,0,0|1,0,0]=2 413 B5R0.1 NNCC(=O)O MCULE-6315598774 [1,0,0,0,0,0|1,0,0]=2 414 B5R0.1 NOCC(=O)O MCULE-4566186819 [1,0,0,0,0,0|2,0,0]=3 415 B5R0.1 NOCC(=O)O MCULE-4824237418 [1,0,0,0,0,0|2,0,0]=3 416 B5R0.1 NOCC(=O)O MCULE-8132180423 [1,0,0,0,0,0|2,0,0]=3 417 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|3,0,0]=4 418 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|3,0,0]=4 419 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|3,0,0]=4 420 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|2,0,1]=4 421 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|2,0,1]=4 422 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|2,0,1]=4 423 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|2,0,1]=4 424 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|2,0,1]=4 425 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|2,0,1]=4 426 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,0,0,0,0,0|1,0,2]=4 427 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [1,0,0,0,0,0|2,0,1]=4 428 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|2,0,1]=4 429 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|2,0,1]=4 430 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|2,0,1]=4 431 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,0,0,0,0,0|1,0,2]=4 432 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|2,0,0]=3 433 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|2,0,0]=3 434 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|2,0,0]=3 435 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|2,0,0]=3 436 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|2,0,0]=3 437 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|2,0,0]=3 438 B5R0.1 O=C(O)CNO MCULE-4437067339 [1,0,0,0,0,0|1,0,0]=2 439 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|2,0,1]=4 440 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,0,0,0,0,0|2,0,1]=4 441 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [1,0,0,0,0,0|1,0,1]=3 442 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,0,0,0,0,0|2,0,1]=4 443 B5R0.1 [NH+](=CN(C)C)C MCULE-8771175095 [1,0,0,0,0,0|2,0,1]=4 444 B7R0.2 C#CC(=O)OC(C)C MCULE-2260869211 [0,1,0,0,0,0|3,0,0]=4 445 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,1,0,0,0,0|1,0,1]=3 446 B7R0.2 C#CC(O)CC(C)C MCULE-1610080651 [0,1,0,0,0,0|2,0,1]=4 447 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,1,0,0,0,0|2,0,0]=3 448 B7R0.2 C/C(=C/N(C)C)/C=O MCULE-5191348171 [0,1,0,0,0,0|1,0,1]=3 449 B7R0.2 C/C(=C\N(C)C)/C=O MCULE-4104391160 [0,1,0,0,0,0|1,0,1]=3 450 B7R0.2 C/C(=N\O)/CC(C)C MCULE-1223937315 [0,1,0,0,0,0|2,0,0]=3 451 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [0,1,0,0,0,0|3,0,0]=4 452 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [0,1,0,0,0,0|2,0,1]=4 453 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [0,1,0,0,0,0|2,0,0]=3 454 B7R0.2 C=CC(=O)NC(C)C MCULE-1145721543 [0,1,0,0,0,0|3,0,0]=4 455 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [0,1,0,0,0,0|3,0,0]=4 456 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,1,0,0,0,0|1,0,1]=3 457 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,1,0,0,0,0|2,0,1]=4 458 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,1,0,0,0,0|2,0,1]=4 459 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,1,0,0,0,0|2,0,1]=4 460 B7R0.2 C=CC(O)CC(C)C MCULE-7389371130 [0,1,0,0,0,0|2,0,1]=4 461 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,1,0,0,0,0|1,0,2]=4 462 B7R0.2 CC(=CN(C)C)C=O MCULE-6590049848 [0,1,0,0,0,0|1,0,1]=3 463 B7R0.2 CC(=NO)CC(C)C MCULE-1446840557 [0,1,0,0,0,0|2,0,0]=3 464 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,1,0,0,0,0|3,0,0]=4 465 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,1,0,0,0,0|3,0,0]=4 466 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,1,0,0,0,0|3,0,0]=4 467 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,1,0,0,0,0|3,0,0]=4 468 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,1,0,0,0,0|3,0,0]=4 469 B7R0.2 CC(C#N)CN(C)C MCULE-7558052841 [0,1,0,0,0,0|2,0,1]=4 470 B7R0.2 CC(C)/C=C(\F)/CO MCULE-5089231546 [0,1,0,0,0,0|2,0,1]=4 471 B7R0.2 CC(C)C/C(=N/O)/N MCULE-1815154611 [0,1,0,0,0,0|2,0,0]=3 472 B7R0.2 CC(C)CC(=O)C#N MCULE-7628756423 [0,1,0,0,0,0|2,0,0]=3 473 B7R0.2 CC(C)CC(=O)CBr MCULE-3556695745 [0,1,0,0,0,0|2,0,0]=3 474 B7R0.2 CC(C)CC(=O)CCl MCULE-6858533367 [0,1,0,0,0,0|2,0,0]=3 475 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,1,0,0,0,0|2,0,0]=3 476 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,1,0,0,0,0|2,0,0]=3 477 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [0,1,0,0,0,0|2,0,0]=3 478 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [0,1,0,0,0,0|2,0,1]=4 479 B7R0.2 CC(C)CC(C)CO MCULE-5856507691 [0,1,0,0,0,0|2,0,1]=4 480 B7R0.2 CC(C)CC(N)CO MCULE-6347344178 [0,1,0,0,0,0|2,0,1]=4 481 B7R0.2 CC(C)CC(N)CO MCULE-7024759986 [0,1,0,0,0,0|2,0,1]=4 482 B7R0.2 CC(C)CC(O)C#N MCULE-7308674465 [0,1,0,0,0,0|2,0,1]=4 483 B7R0.2 CC(C)CC(O)CN MCULE-9414833333 [0,1,0,0,0,0|2,0,1]=4 484 B7R0.2 CC(C)CC(O)CN MCULE-9784331526 [0,1,0,0,0,0|2,0,1]=4 485 B7R0.2 CC(C)CN(C)N=O MCULE-1639713023 [0,1,0,0,0,0|3,0,0]=4 486 B7R0.2 CC(C)C[C@@H](N)CO MCULE-1979401982 [0,1,0,0,0,0|2,0,1]=4 487 B7R0.2 CC(C)C[C@@H](N)CO MCULE-3025407298 [0,1,0,0,0,0|2,0,1]=4 488 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [0,1,0,0,0,0|2,0,1]=4 489 B7R0.2 CC(C)C[C@H](N)CO MCULE-2790872575 [0,1,0,0,0,0|2,0,1]=4 490 B7R0.2 CC(C)C[C@H](N)CO MCULE-9198147139 [0,1,0,0,0,0|2,0,1]=4 491 B7R0.2 CC(C)NC(=O)CBr MCULE-1272363222 [0,1,0,0,0,0|3,0,0]=4 492 B7R0.2 CC(C)NC(=O)CCl MCULE-8342964960 [0,1,0,0,0,0|3,0,0]=4 493 B7R0.2 CC(C)NC(=O)CI MCULE-8316056040 [0,1,0,0,0,0|3,0,0]=4 494 B7R0.2 CC(C)NC(=O)CN MCULE-7188824856 [0,1,0,0,0,0|3,0,0]=4 495 B7R0.2 CC(C)NC(=O)CN MCULE-8867435369 [0,1,0,0,0,0|3,0,0]=4 496 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [0,1,0,0,0,0|2,0,0]=3 497 B7R0.2 CC(C)OC(=O)CBr MCULE-1610339208 [0,1,0,0,0,0|3,0,0]=4 498 B7R0.2 CC(C)OC(=O)CCl MCULE-3017211046 [0,1,0,0,0,0|3,0,0]=4 499 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [0,1,0,0,0,0|3,0,0]=4 500 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [0,1,0,0,0,0|3,0,0]=4 501 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [0,1,0,0,0,0|2,0,0]=3 502 B7R0.2 CC(C)OC(=O)CS MCULE-5298940210 [0,1,0,0,0,0|2,1,0]=4 503 B7R0.2 CC(C)OC(=O)NN MCULE-5311288998 [0,1,0,0,0,0|3,0,0]=4 504 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,1,0,0,0,0|2,0,0]=3 505 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,1,0,0,0,0|2,0,0]=3 506 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,1,0,0,0,0|2,0,0]=3 507 B7R0.2 CC(CCl)CN(C)C MCULE-4809914471 [0,1,0,0,0,0|2,0,1]=4 508 B7R0.2 CC(CCl)CN(C)C MCULE-7169724566 [0,1,0,0,0,0|2,0,1]=4 509 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,1,0,0,0,0|3,0,0]=4 510 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,1,0,0,0,0|1,0,0]=2 511 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,1,0,0,0,0|1,0,0]=2 512 B7R0.2 CC(CN)CN(C)C MCULE-4741402612 [0,1,0,0,0,0|2,0,1]=4 513 B7R0.2 CC(CO)CN(C)C MCULE-3103307387 [0,1,0,0,0,0|1,0,1]=3 514 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,1,0,0,0,0|3,0,0]=4 515 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,1,0,0,0,0|1,0,1]=3 517 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,1,0,0,0,0|3,0,0]=4 518 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,1,0,0,0,0|2,0,0]=3 519 B7R0.2 CCC(=O)CC(C)C MCULE-8378320990 [0,1,0,0,0,0|2,0,0]=3 520 B7R0.2 CCC(=O)NC(C)C MCULE-3565002235 [0,1,0,0,0,0|3,0,0]=4 521 B7R0.2 CCC(=O)OC(C)C MCULE-6546381101 [0,1,0,0,0,0|3,0,0]=4 522 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [0,1,0,0,0,0|2,0,1]=4 523 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [0,1,0,0,0,0|3,0,0]=4 524 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [0,1,0,0,0,0|3,0,0]=4 525 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,1,0,0,0,0|2,0,0]=3 526 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,1,0,0,0,0|2,0,0]=3 527 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,1,0,0,0,0|1,0,0]=2 528 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,1,0,0,0,0|1,0,0]=2 529 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,1,0,0,0,0|3,0,0]=4 530 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,1,0,0,0,0|3,0,0]=4 531 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,1,0,0,0,0|3,0,0]=4 532 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,1,0,0,0,0|3,0,0]=4 533 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,1,0,0,0,0|2,0,0]=3 534 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,1,0,0,0,0|2,0,0]=3 535 B7R0.2 CCC(N)CN(C)C MCULE-7794272438 [0,1,0,0,0,0|2,0,1]=4 536 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,1,0,0,0,0|3,0,0]=4 537 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,1,0,0,0,0|2,0,0]=3 538 B7R0.2 CCC(O)CN(C)C MCULE-5823673760 [0,1,0,0,0,0|1,0,1]=3 539 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,1,0,0,0,0|1,0,0]=2 540 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,1,0,0,0,0|1,0,0]=2 541 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,1,0,0,0,0|0,0,0]=1 542 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,1,0,0,0,0|2,0,0]=3 543 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,1,0,0,0,0|1,0,0]=2 544 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,1,0,0,0,0|1,0,0]=2 545 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,1,0,0,0,0|2,0,0]=3 546 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,1,0,0,0,0|2,0,0]=3 547 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,1,0,0,0,0|2,0,0]=3 548 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,1,0,0,0,0|2,0,0]=3 549 B7R0.2 CC[C@@H](N)CN(C)C MCULE-4272885891 [0,1,0,0,0,0|2,0,1]=4 550 B7R0.2 CC[C@@H](N)CN(C)C MCULE-8695009794 [0,1,0,0,0,0|2,0,1]=4 551 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,1,0,0,0,0|1,0,0]=2 552 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,1,0,0,0,0|1,0,0]=2 553 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,1,0,0,0,0|2,0,0]=3 554 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,1,0,0,0,0|2,0,0]=3 555 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,1,0,0,0,0|2,0,0]=3 556 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,1,0,0,0,0|2,0,0]=3 557 B7R0.2 CC[C@H](N)CN(C)C MCULE-4335497059 [0,1,0,0,0,0|2,0,1]=4 558 B7R0.2 CC[C@H](N)CN(C)C MCULE-5607250734 [0,1,0,0,0,0|2,0,1]=4 559 B7R0.2 CN(C)C/C(=N/O)/N MCULE-5454112728 [0,1,0,0,0,0|1,0,0]=2 560 B7R0.2 CN(C)C=C(Br)C=O MCULE-6219650032 [0,1,0,0,0,0|1,0,1]=3 561 B7R0.2 CN(C)C=C(F)C=O MCULE-7113199029 [0,1,0,0,0,0|1,0,1]=3 562 B7R0.2 CN(C)C=C(I)C=O MCULE-5701724761 [0,1,0,0,0,0|1,0,1]=3 563 B7R0.2 CN(C)CC(=O)NN MCULE-4271340398 [0,1,0,0,0,0|1,0,0]=2 564 B7R0.2 CN(C)CC(=O)NN MCULE-8010840162 [0,1,0,0,0,0|1,0,0]=2 565 B7R0.2 CN(C)CC(=O)NN MCULE-9920503081 [0,1,0,0,0,0|1,0,0]=2 566 B7R0.2 CN(C)CC(N)CO MCULE-2789134862 [0,1,0,0,0,0|1,0,1]=3 567 B7R0.2 CN(C)CC(N)CO MCULE-4090276677 [0,1,0,0,0,0|1,0,1]=3 568 B7R0.2 CN(C)CC(O)CCl MCULE-3657515294 [0,1,0,0,0,0|1,0,1]=3 569 B7R0.2 CN(C)CC(O)CCl MCULE-8459273595 [0,1,0,0,0,0|1,0,1]=3 570 B7R0.2 CN(C)CC(O)CN MCULE-7476161270 [0,1,0,0,0,0|1,0,1]=3 571 B7R0.2 CN(C)CC(O)CN MCULE-8533203733 [0,1,0,0,0,0|1,0,1]=3 572 B7R0.2 CN(C)CC(O)CO MCULE-3436894516 [0,1,0,0,0,0|0,0,2]=3 573 B7R0.2 CN(C)C[C@@H](O)CO MCULE-7101033572 [0,1,0,0,0,0|0,0,2]=3 574 B7R0.2 CN(C)C[C@H](O)CO MCULE-4297947949 [0,1,0,0,0,0|0,0,2]=3 575 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,1,0,0,0,0|0,0,1]=2 576 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,1,0,0,0,0|1,0,0]=2 577 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,1,0,0,0,0|2,0,1]=4 578 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,1,0,0,0,0|3,0,0]=4 579 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,1,0,0,0,0|2,0,0]=3 580 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,1,0,0,0,0|2,0,0]=3 581 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,1,0,0,0,0|3,0,0]=4 582 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,1,0,0,0,0|3,0,0]=4 583 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,1,0,0,0,0|2,0,0]=3 584 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,1,0,0,0,0|2,0,0]=3 585 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,1,0,0,0,0|1,0,0]=2 586 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,1,0,0,0,0|1,0,0]=2 587 B7R0.2 CNC(C)CS(=O)C MCULE-5598071425 [0,1,0,0,0,0|3,0,0]=4 588 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,1,0,0,0,0|1,0,1]=3 589 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,1,0,0,0,0|2,0,1]=4 590 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,1,0,0,0,0|1,0,1]=3 591 B7R0.2 COC(=N)CC(C)C MCULE-4603041381 [0,1,0,0,0,0|2,0,0]=3 592 B7R0.2 COC(=N)CC(C)C MCULE-5838686710 [0,1,0,0,0,0|2,0,0]=3 593 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,1,0,0,0,0|2,0,1]=4 594 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,1,0,0,0,0|2,0,1]=4 595 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,1,0,0,0,0|1,0,1]=3 596 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,1,0,0,0,0|2,0,1]=4 597 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,1,0,0,0,0|2,0,1]=4 598 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,1,0,0,0,0|2,0,1]=4 599 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,1,0,0,0,0|3,0,0]=4 600 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,1,0,0,0,0|3,0,0]=4 601 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,1,0,0,0,0|2,0,0]=3 602 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,1,0,0,0,0|3,0,0]=4 603 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,1,0,0,0,0|3,0,0]=4 604 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,1,0,0,0,0|2,0,0]=3 605 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,1,0,0,0,0|2,0,1]=4 606 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,1,0,0,0,0|3,0,0]=4 607 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,1,0,0,0,0|2,0,0]=3 608 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,1,0,0,0,0|1,0,0]=2 609 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,1,0,0,0,0|2,0,0]=3 610 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,1,0,0,0,0|2,0,0]=3 611 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,1,0,0,0,0|2,0,0]=3 612 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,1,0,0,0,0|2,0,0]=3 613 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,1,0,0,0,0|2,0,0]=3 614 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,1,0,0,0,0|2,0,0]=3 615 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,1,0,0,0,0|2,0,0]=3 616 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,1,0,0,0,0|2,0,0]=3 617 B7R0.2 COC(=O)CN(=O)=O MCULE-9778666398 [0,1,0,0,0,0|2,0,1]=4 618 B7R0.2 COC(=O)CN(C)C MCULE-2035644817 [0,1,0,0,0,0|0,0,0]=1 619 B7R0.2 COC(=O)CN(C)C MCULE-2356820620 [0,1,0,0,0,0|0,0,0]=1 620 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,1,0,0,0,0|2,0,0]=3 621 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,1,0,0,0,0|2,0,0]=3 622 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,1,0,0,0,0|2,0,0]=3 623 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,1,0,0,0,0|2,0,0]=3 624 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,1,0,0,0,0|2,0,0]=3 625 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,1,0,0,0,0|2,0,0]=3 626 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,1,0,0,0,0|2,0,0]=3 627 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,1,0,0,0,0|2,0,0]=3 628 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,1,0,0,0,0|2,0,0]=3 629 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,1,0,0,0,0|2,0,0]=3 630 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,1,0,0,0,0|2,0,0]=3 631 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,1,0,0,0,0|2,0,0]=3 632 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,1,0,0,0,0|2,0,0]=3 633 B7R0.2 COC(=O)NC(C)C MCULE-4552685948 [0,1,0,0,0,0|2,0,0]=3 634 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [0,1,0,0,0,0|2,0,0]=3 635 B7R0.2 COC(=O)SC(C)C MCULE-9908884347 [0,1,0,0,0,0|2,0,0]=3 636 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,1,0,0,0,0|1,0,0]=2 637 B7R0.2 COC(C)CC(C)O MCULE-3635789827 [0,1,0,0,0,0|2,0,1]=4 638 B7R0.2 CSC(=O)CC(C)C MCULE-5433173038 [0,1,0,0,0,0|1,1,0]=3 639 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,1,0,0,0,0|1,0,0]=2 640 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,1,0,0,0,0|1,0,0]=2 641 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,1,0,0,0,0|1,0,0]=2 642 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,1,0,0,0,0|3,0,0]=4 643 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,1,0,0,0,0|2,0,0]=3 644 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,1,0,0,0,0|2,0,0]=3 645 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,1,0,0,0,0|2,0,0]=3 646 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,1,0,0,0,0|2,0,0]=3 647 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,1,0,0,0,0|2,0,0]=3 648 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,1,0,0,0,0|2,0,0]=3 649 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,1,0,0,0,0|3,0,0]=4 650 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,1,0,0,0,0|3,0,0]=4 651 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,1,0,0,0,0|2,0,0]=3 652 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,1,0,0,0,0|2,0,0]=3 653 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,1,0,0,0,0|2,0,0]=3 654 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,1,0,0,0,0|2,0,0]=3 655 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,1,0,0,0,0|2,0,0]=3 656 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,1,0,0,0,0|2,0,0]=3 657 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,1,0,0,0,0|2,0,0]=3 658 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,1,0,0,0,0|2,0,0]=3 659 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,1,0,0,0,0|2,0,0]=3 660 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,1,0,0,0,0|2,0,0]=3 661 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,1,0,0,0,0|2,0,0]=3 662 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,1,0,0,0,0|2,0,0]=3 663 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,1,0,0,0,0|3,0,0]=4 664 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,1,0,0,0,0|3,0,0]=4 665 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,1,0,0,0,0|2,0,0]=3 666 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,1,0,0,0,0|2,0,0]=3 667 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,1,0,0,0,0|2,0,0]=3 668 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,1,0,0,0,0|2,0,0]=3 669 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,1,0,0,0,0|2,0,1]=4 670 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,1,0,0,0,0|2,0,1]=4 671 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,1,0,0,0,0|1,0,1]=3 672 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,1,0,0,0,0|3,0,0]=4 673 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,1,0,0,0,0|2,0,1]=4 674 B7R0.9 C=C(Br)C[Si](C)(C)C MCULE-8859351976 [0,1,0,0,0,0|3,0,0]=4 675 B7R0.9 C=C(C)CC(C)(C)C MCULE-2888894392 [0,1,0,0,0,0|3,0,0]=4 676 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [0,1,0,0,0,0|2,0,1]=4 677 B7R0.9 C=C(C)C[Si](C)(C)C MCULE-3058739756 [0,1,0,0,0,0|3,0,0]=4 678 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [0,1,0,0,0,0|2,0,0]=3 679 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [0,1,0,0,0,0|2,0,0]=3 680 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,1,0,0,0,0|2,0,0]=3 681 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,1,0,0,0,0|2,0,0]=3 682 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,1,0,0,0,0|2,0,0]=3 683 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,1,0,0,0,0|2,0,0]=3 684 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [0,1,0,0,0,0|2,0,0]=3 685 B7R0.9 CC(=O)CS(=O)(=O)C MCULE-5686426572 [0,1,0,0,0,0|3,0,0]=4 686 B7R0.9 CC(=O)NC(C)(C)C MCULE-7590749185 [0,1,0,0,0,0|3,0,0]=4 687 B7R0.9 CC(=O)N[Si](C)(C)C MCULE-1892187625 [0,1,0,0,0,0|3,0,0]=4 688 B7R0.9 CC(=O)OC(C)(C)C MCULE-4713236745 [0,1,0,0,0,0|3,0,0]=4 689 B7R0.9 CC(=O)O[Si](C)(C)C MCULE-9062827817 [0,1,0,0,0,0|3,0,0]=4 690 B7R0.9 CC(=O)SC(C)(C)C MCULE-7111846167 [0,1,0,0,0,0|3,0,0]=4 691 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,1,0,0,0,0|1,0,0]=2 692 B7R0.9 CC(C)(C)CB(O)O MCULE-7159615994 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [0,1,0,0,0,0|2,0,0]=3 694 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [0,1,0,0,0,0|2,0,0]=3 695 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,1,0,0,0,0|1,0,0]=2 696 B7R0.9 CC(C)(C)CS(=O)[O-] MCULE-3570989156 [0,1,0,0,0,0|2,0,1]=4 697 B7R0.9 CC(C)(C)CS(=O)[O-] MCULE-8224255733 [0,1,0,0,0,0|2,0,1]=4 698 B7R0.9 CC(C)(C)NC(=O)N MCULE-7867571542 [0,1,0,0,0,0|3,0,0]=4 699 B7R0.9 CC(C)(C)OC(=O)N MCULE-8089044173 [0,1,0,0,0,0|3,0,0]=4 700 B7R0.9 CC(C)(C)SC(=O)Cl MCULE-5079482641 [0,1,0,0,0,0|3,0,0]=4 701 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,1,0,0,0,0|2,0,0]=3 702 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,1,0,0,0,0|2,0,0]=3 703 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,1,0,0,0,0|1,0,0]=2 704 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,1,0,0,0,0|1,0,0]=2 705 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,1,0,0,0,0|1,0,0]=2 706 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,1,0,0,0,0|1,0,0]=2 707 B7R0.9 CC(C)(O)CN(=O)=O MCULE-5099028458 [0,1,0,0,0,0|2,0,1]=4 708 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,1,0,0,0,0|1,0,0]=2 709 B7R0.9 CC(C)CC(C)(C)O MCULE-3204875128 [0,1,0,0,0,0|2,0,1]=4 710 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [0,1,0,0,0,0|2,0,0]=3 711 B7R0.9 CC(C)CS(=O)(=O)Cl MCULE-9367875558 [0,1,0,0,0,0|2,0,1]=4 712 B7R0.9 CC(C)CS(=O)(=O)F MCULE-1313713922 [0,1,0,0,0,0|2,0,1]=4 713 B7R0.9 CC(C)CS(=O)(=O)N MCULE-9972789825 [0,1,0,0,0,0|2,0,1]=4 714 B7R0.9 CC(C)NS(=O)(=O)O MCULE-8414216278 [0,1,0,0,0,0|3,0,0]=4 715 B7R0.9 CC(C)OS(=O)(=O)O MCULE-9056417787 [0,1,0,0,0,0|3,0,0]=4 716 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,1,0,0,0,0|2,0,0]=3 717 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [0,1,0,0,0,0|3,0,0]=4 718 B7R0.9 CC(O)CC(C)(C)C MCULE-3536219229 [0,1,0,0,0,0|2,0,1]=4 719 B7R0.9 CC(O)CC(C)(C)N MCULE-2860111904 [0,1,0,0,0,0|2,0,1]=4 720 B7R0.9 CC(O)CC(C)(C)O MCULE-5281049691 [0,1,0,0,0,0|2,0,1]=4 721 B7R0.9 CC(O)CC(C)(C)O MCULE-8163963858 [0,1,0,0,0,0|2,0,1]=4 722 B7R0.9 CC(O)C[N+](C)(C)C MCULE-1986992067 [0,1,0,0,0,0|1,0,2]=4 723 B7R0.9 CC(O)C[N+](C)(C)C MCULE-5969734680 [0,1,0,0,0,0|1,0,2]=4 724 B7R0.9 CC(O)C[N+](C)(C)C MCULE-8120725010 [0,1,0,0,0,0|1,0,2]=4 725 B7R0.9 CN(C)CC(C)(C)C MCULE-1551347528 [0,1,0,0,0,0|2,0,1]=4 726 B7R0.9 CN(C)CC(C)(C)N MCULE-1305124006 [0,1,0,0,0,0|2,0,1]=4 727 B7R0.9 CN(C)CC(C)(C)N MCULE-4136633410 [0,1,0,0,0,0|2,0,1]=4 728 B7R0.9 CN(C)CC(C)(C)N MCULE-7574275063 [0,1,0,0,0,0|2,0,1]=4 729 B7R0.9 CN(C)CC(C)(C)O MCULE-1150912998 [0,1,0,0,0,0|1,0,1]=3 730 B7R0.9 CN(C)CC(F)(F)F MCULE-7932353961 [0,1,0,0,0,0|2,0,1]=4 731 B7R0.9 CN(C)C[B-](F)(F)F MCULE-3191150425 [0,1,0,0,0,0|3,0,0]=4 732 B7R0.9 CS(=O)(=NC(=O)Cl)C MCULE-9501106275 [0,1,0,0,0,0|3,0,0]=4 733 B7R0.9 CS(=O)(=O)CC(=O)Cl MCULE-9861100117 [0,1,0,0,0,0|3,0,0]=4 734 B7R0.9 CS(=O)(=O)CC(=O)N MCULE-1619614870 [0,1,0,0,0,0|3,0,0]=4 735 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,1,0,0,0,0|2,0,0]=3 736 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,1,0,0,0,0|0,1,0]=2 737 B7R0.9 C[As+](C)(C)CC(=O)[O-] MCULE-4852790942 [0,1,0,0,0,0|0,1,1]=3 738 B7R0.9 C[C@@H](O)CC(C)(C)O MCULE-5779966658 [0,1,0,0,0,0|2,0,1]=4 739 B7R0.9 C[C@H](O)CC(C)(C)O MCULE-6903579241 [0,1,0,0,0,0|2,0,1]=4 740 B7R0.9 C[N+](C)(C)CC(=O)Cl MCULE-1674168490 [0,1,0,0,0,0|1,0,1]=3 741 B7R0.9 C[N+](C)(C)CC(=O)Cl MCULE-2186832169 [0,1,0,0,0,0|1,0,1]=3 742 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-3264501433 [0,1,0,0,0,0|1,0,1]=3 743 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-9355968445 [0,1,0,0,0,0|1,0,1]=3 744 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,1,0,0,0,0|0,0,1]=2 745 B7R0.9 C[N+](C)(C)CC(=O)[O-] MCULE-8745470661 [0,1,0,0,0,0|0,0,2]=3 746 B7R0.9 C[Si](C)(C)CB(O)O MCULE-8234153400 [0,1,0,0,0,0|2,0,1]=4 747 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,1,0,0,0,0|1,0,0]=2 748 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,1,0,0,0,0|3,0,0]=4 749 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [0,1,0,0,0,0|3,0,0]=4 750 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,1,0,0,0,0|2,1,0]=4 751 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,1,0,0,0,0|3,0,0]=4 752 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,1,0,0,0,0|1,0,1]=3 753 B7R0.16 C=C(C)C(=O)N(C)C MCULE-5921699549 [0,1,0,0,0,0|2,0,1]=4 754 B7R0.16 C=C(C)C(Br)N(C)C MCULE-5719118916 [0,1,0,0,0,0|2,0,0]=3 755 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,1,0,0,0,0|2,0,1]=4 756 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,1,0,0,0,0|1,0,1]=3 757 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,1,0,0,0,0|1,0,1]=3 758 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,1,0,0,0,0|1,0,1]=3 759 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,1,0,0,0,0|1,0,1]=3 760 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,1,0,0,0,0|2,0,1]=4 761 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,1,0,0,0,0|1,0,1]=3 762 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,1,0,0,0,0|1,0,1]=3 763 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,1,0,0,0,0|1,0,1]=3 764 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,1,0,0,0,0|1,0,1]=3 765 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [0,1,0,0,0,0|1,0,1]=3 766 B7R0.16 CC(=C(Br)N(C)C)C MCULE-7886727413 [0,1,0,0,0,0|2,0,1]=4 767 B7R0.16 CC(=C(C)C(=O)O)Br MCULE-9431818570 [0,1,0,0,0,0|2,0,1]=4 768 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [0,1,0,0,0,0|1,0,1]=3 769 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [0,1,0,0,0,0|1,0,1]=3 770 B7R0.16 CC(=C(Cl)N(C)C)C MCULE-2216665088 [0,1,0,0,0,0|2,0,1]=4 771 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [0,1,0,0,0,0|1,0,1]=3 772 B7R0.16 CC(=O)C(=O)N(C)C MCULE-9467983911 [0,1,0,0,0,0|1,0,1]=3 773 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,1,0,0,0,0|3,0,0]=4 774 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,1,0,0,0,0|2,0,0]=3 775 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,1,0,0,0,0|3,0,0]=4 776 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,1,0,0,0,0|3,0,0]=4 777 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,1,0,0,0,0|2,0,0]=3 778 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,1,0,0,0,0|3,0,0]=4 779 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,1,0,0,0,0|3,0,0]=4 780 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,1,0,0,0,0|3,0,0]=4 781 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,1,0,0,0,0|2,0,0]=3 782 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,1,0,0,0,0|2,0,0]=3 783 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,1,0,0,0,0|3,0,0]=4 784 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,1,0,0,0,0|0,0,0]=1 785 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,1,0,0,0,0|0,0,0]=1 786 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,1,0,0,0,0|1,0,0]=2 787 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [0,1,0,0,0,0|2,0,1]=4 788 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,1,0,0,0,0|1,0,1]=3 789 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [0,1,0,0,0,0|1,0,2]=4 790 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,1,0,0,0,0|2,0,0]=3 791 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,1,0,0,0,0|2,0,0]=3 792 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,1,0,0,0,0|2,0,0]=3 793 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,1,0,0,0,0|1,0,0]=2 794 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,1,0,0,0,0|1,0,0]=2 795 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,1,0,0,0,0|2,0,0]=3 796 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,1,0,0,0,0|1,0,0]=2 797 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,1,0,0,0,0|2,0,0]=3 798 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,1,0,0,0,0|1,0,0]=2 799 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,1,0,0,0,0|1,0,0]=2 800 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,1,0,0,0,0|2,0,0]=3 801 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,1,0,0,0,0|2,0,0]=3 802 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,1,0,0,0,0|1,0,0]=2 803 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,1,0,0,0,0|1,0,0]=2 804 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,1,0,0,0,0|1,0,0]=2 805 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,1,0,0,0,0|1,0,0]=2 806 B7R0.16 CC(C)N(C)C(=O)Cl MCULE-1063482503 [0,1,0,0,0,0|3,0,0]=4 807 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,1,0,0,0,0|1,0,0]=2 808 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,1,0,0,0,0|1,0,0]=2 809 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,1,0,0,0,0|2,0,0]=3 810 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,1,0,0,0,0|2,0,0]=3 811 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,1,0,0,0,0|2,0,0]=3 812 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,1,0,0,0,0|2,0,0]=3 813 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,1,0,0,0,0|1,0,0]=2 814 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,1,0,0,0,0|1,0,0]=2 815 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,1,0,0,0,0|1,0,0]=2 816 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,1,0,0,0,0|1,0,0]=2 817 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,1,0,0,0,0|1,0,0]=2 818 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,1,0,0,0,0|1,0,0]=2 819 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,1,0,0,0,0|1,0,0]=2 820 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,1,0,0,0,0|1,0,0]=2 821 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,1,0,0,0,0|1,0,0]=2 822 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,1,0,0,0,0|1,0,0]=2 823 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,1,0,0,0,0|2,0,0]=3 824 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,1,0,0,0,0|2,0,0]=3 825 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,1,0,0,0,0|2,0,0]=3 826 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,1,0,0,0,0|2,0,0]=3 827 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,1,0,0,0,0|2,0,0]=3 828 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,1,0,0,0,0|2,0,0]=3 829 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,1,0,0,0,0|1,0,0]=2 830 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,1,0,0,0,0|1,0,0]=2 831 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,1,0,0,0,0|1,0,0]=2 832 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,1,0,0,0,0|1,0,0]=2 833 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,1,0,0,0,0|2,0,0]=3 834 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,1,0,0,0,0|2,0,0]=3 835 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,1,0,0,0,0|2,0,0]=3 836 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,1,0,0,0,0|2,0,0]=3 837 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,1,0,0,0,0|2,0,0]=3 838 B7R0.16 CC(O)C(=O)N(C)C MCULE-9214363632 [0,1,0,0,0,0|1,0,2]=4 839 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,1,0,0,0,0|2,0,0]=3 840 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,1,0,0,0,0|3,0,0]=4 841 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,1,0,0,0,0|3,0,0]=4 842 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,1,0,0,0,0|2,0,0]=3 843 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,1,0,0,0,0|2,0,0]=3 844 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [0,1,0,0,0,0|0,0,1]=2 845 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,1,0,0,0,0|0,0,0]=1 846 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,1,0,0,0,0|0,0,0]=1 847 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,1,0,0,0,0|0,0,0]=1 848 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,1,0,0,0,0|2,0,0]=3 849 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,1,0,0,0,0|2,0,0]=3 850 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,1,0,0,0,0|2,0,0]=3 851 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,1,0,0,0,0|2,0,0]=3 852 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,1,0,0,0,0|2,0,0]=3 853 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,1,0,0,0,0|3,0,0]=4 854 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,1,0,0,0,0|3,0,0]=4 855 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,1,0,0,0,0|3,0,0]=4 856 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,1,0,0,0,0|3,0,0]=4 857 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,1,0,0,0,0|3,0,0]=4 858 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,1,0,0,0,0|3,0,0]=4 859 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,1,0,0,0,0|2,0,0]=3 860 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,1,0,0,0,0|2,0,0]=3 861 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,1,0,0,0,0|2,0,0]=3 862 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,1,0,0,0,0|2,0,0]=3 863 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,1,0,0,0,0|2,0,0]=3 864 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,1,0,0,0,0|2,0,0]=3 865 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-1489374162 [0,1,0,0,0,0|1,0,0]=2 866 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-7938995734 [0,1,0,0,0,0|1,0,0]=2 867 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,1,0,0,0,0|0,0,0]=1 868 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,1,0,0,0,0|0,0,0]=1 869 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,1,0,0,0,0|2,0,0]=3 870 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,1,0,0,0,0|2,0,0]=3 871 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,1,0,0,0,0|2,0,0]=3 872 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,1,0,0,0,0|2,0,0]=3 873 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,1,0,0,0,0|2,0,0]=3 874 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,1,0,0,0,0|2,0,0]=3 875 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,1,0,0,0,0|2,0,0]=3 876 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,1,0,0,0,0|2,0,0]=3 877 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,1,0,0,0,0|2,0,0]=3 878 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,1,0,0,0,0|2,0,0]=3 879 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,1,0,0,0,0|2,0,0]=3 880 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,1,0,0,0,0|2,0,0]=3 881 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,1,0,0,0,0|2,0,0]=3 882 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,1,0,0,0,0|3,0,0]=4 883 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,1,0,0,0,0|3,0,0]=4 884 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,1,0,0,0,0|3,0,0]=4 885 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,1,0,0,0,0|3,0,0]=4 886 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,1,0,0,0,0|3,0,0]=4 887 B7R1.2 C1(CCN(C1)C)N MCULE-3665102712 [0,0,0,1,0,0|2,0,1]=4 888 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [0,0,0,1,0,0|1,0,1]=3 889 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,0,0,1,0,0|3,0,0]=4 890 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,0,0,1,0,0|3,0,0]=4 891 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,0,0,1,0,0|3,0,0]=4 892 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,0,0,1,0,0|2,0,0]=3 893 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,0,0,1,0,0|2,0,1]=4 894 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,0,0,1,0,0|1,0,1]=3 895 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,0,0,1,0,0|3,0,0]=4 896 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,0,0,1,0,0|3,0,0]=4 897 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,0,0,1,0,0|2,0,0]=3 898 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,0,0,1,0,0|2,0,0]=3 899 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,0,0,1,0,0|3,0,0]=4 900 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,0,0,1,0,0|3,0,0]=4 901 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,0,0,1,0,0|3,0,0]=4 902 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,0,0,1,0,0|3,0,0]=4 903 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,0,0,1,0,0|3,0,0]=4 904 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,0,0,1,0,0|2,0,0]=3 905 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,0,0,1,0,0|3,0,0]=4 906 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,0,0,1,0,0|3,0,0]=4 907 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,0,0,1,0,0|3,0,0]=4 908 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [0,0,0,1,0,0|2,0,1]=4 909 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,0,0,1,0,0|2,0,0]=3 910 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,0,0,1,0,0|3,0,0]=4 911 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,0,0,1,0,0|3,0,0]=4 912 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,0,0,1,0,0|1,0,0]=2 913 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,0,0,1,0,0|2,0,0]=3 914 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,0,0,1,0,0|2,0,0]=3 915 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,0,0,1,0,0|2,1,0]=4 916 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,0,0,1,0,0|3,0,0]=4 917 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,0,0,1,0,0|2,1,0]=4 918 B7R1.2 CN1C=C(C=N1)O MCULE-5086680033 [0,0,0,1,0,0|2,0,1]=4 919 B7R1.2 CN1C=C(C=N1)O MCULE-5814110625 [0,0,0,1,0,0|2,0,1]=4 920 B7R1.2 CN1C=CC(=C1)O MCULE-2504745844 [0,0,0,1,0,0|1,0,2]=4 921 B7R1.2 CN1C=CC(=N1)O MCULE-5118805950 [0,0,0,1,0,0|2,0,1]=4 922 B7R1.2 CN1C=NC(=O)N1 MCULE-8089843600 [0,0,0,1,0,0|2,0,1]=4 923 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,0,0,1,0,0|1,0,0]=2 924 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,0,0,1,0,0|1,0,0]=2 925 B7R1.2 CN1CCC(C1)Br MCULE-3493698258 [0,0,0,1,0,0|2,0,1]=4 926 B7R1.2 CN1CCC(C1)Cl MCULE-4289154186 [0,0,0,1,0,0|2,0,1]=4 927 B7R1.2 CN1CCC(C1)I MCULE-7694112270 [0,0,0,1,0,0|2,0,1]=4 928 B7R1.2 CN1CCC(C1)N MCULE-1293214424 [0,0,0,1,0,0|2,0,1]=4 929 B7R1.2 CN1CCC(C1)N MCULE-1923071969 [0,0,0,1,0,0|2,0,1]=4 930 B7R1.2 CN1CCC(C1)N MCULE-8906644208 [0,0,0,1,0,0|2,0,1]=4 931 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [0,0,0,1,0,0|1,0,1]=3 932 B7R1.2 CN1CC[C@@H](C1)Br MCULE-3557435415 [0,0,0,1,0,0|2,0,1]=4 933 B7R1.2 CN1CC[C@@H](C1)Cl MCULE-2590203116 [0,0,0,1,0,0|2,0,1]=4 934 B7R1.2 CN1CC[C@@H](C1)I MCULE-9659903055 [0,0,0,1,0,0|2,0,1]=4 935 B7R1.2 CN1CC[C@@H](C1)N MCULE-2789588017 [0,0,0,1,0,0|2,0,1]=4 936 B7R1.2 CN1CC[C@@H](C1)N MCULE-3064746432 [0,0,0,1,0,0|2,0,1]=4 937 B7R1.2 CN1CC[C@@H](C1)N MCULE-3417580502 [0,0,0,1,0,0|2,0,1]=4 938 B7R1.2 CN1CC[C@@H](C1)N MCULE-4507441839 [0,0,0,1,0,0|2,0,1]=4 939 B7R1.2 CN1CC[C@@H](C1)N MCULE-7304925156 [0,0,0,1,0,0|2,0,1]=4 940 B7R1.2 CN1CC[C@@H](C1)N MCULE-8752975101 [0,0,0,1,0,0|2,0,1]=4 941 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [0,0,0,1,0,0|1,0,1]=3 942 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [0,0,0,1,0,0|1,0,1]=3 943 B7R1.2 CN1CC[C@H](C1)Br MCULE-5126641770 [0,0,0,1,0,0|2,0,1]=4 944 B7R1.2 CN1CC[C@H](C1)Cl MCULE-6900681925 [0,0,0,1,0,0|2,0,1]=4 945 B7R1.2 CN1CC[C@H](C1)I MCULE-5536628497 [0,0,0,1,0,0|2,0,1]=4 946 B7R1.2 CN1CC[C@H](C1)N MCULE-1557911450 [0,0,0,1,0,0|2,0,1]=4 947 B7R1.2 CN1CC[C@H](C1)N MCULE-2070741351 [0,0,0,1,0,0|2,0,1]=4 948 B7R1.2 CN1CC[C@H](C1)N MCULE-4287469497 [0,0,0,1,0,0|2,0,1]=4 949 B7R1.2 CN1CC[C@H](C1)N MCULE-6191225667 [0,0,0,1,0,0|2,0,1]=4 950 B7R1.2 CN1CC[C@H](C1)N MCULE-7699833473 [0,0,0,1,0,0|2,0,1]=4 951 B7R1.2 CN1CC[C@H](C1)N MCULE-8419212613 [0,0,0,1,0,0|2,0,1]=4 952 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [0,0,0,1,0,0|1,0,1]=3 953 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [0,0,0,1,0,0|1,0,1]=3 954 B7R1.2 CN1N=CC(=O)N1 MCULE-1498333804 [0,0,0,1,0,0|3,0,0]=4 955 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,0,0,1,0,0|3,0,0]=4 956 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,0,0,1,0,0|3,0,0]=4 957 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,0,0,1,0,0|3,0,0]=4 958 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,0,0,1,0,0|3,0,0]=4 959 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,0,0,1,0,0|3,0,0]=4 960 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,0,0,1,0,0|2,0,0]=3 961 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,0,0,1,0,0|2,0,0]=3 962 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,0,0,1,0,0|3,0,0]=4 963 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,0,0,1,0,0|3,0,0]=4 964 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,0,0,1,0,0|1,0,0]=2 965 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,0,0,1,0,0|1,0,0]=2 966 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,0,0,1,0,0|2,0,0]=3 967 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,0,0,1,0,0|2,0,0]=3 968 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,0,0,1,0,0|2,0,0]=3 969 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,0,0,1,0,0|2,0,0]=3 970 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,0,0,1,0,0|3,0,0]=4 971 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,0,0,1,0,0|3,0,0]=4 972 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,0,0,1,0,0|3,0,0]=4 973 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,0,0,1,0,0|3,0,0]=4 974 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,0,0,1,0,0|2,0,0]=3 975 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,0,0,1,0,0|3,0,0]=4 976 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,0,0,1,0,0|3,0,0]=4 977 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,0,0,1,0,0|3,0,0]=4 978 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,0,0,1,0,0|2,0,0]=3 979 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,0,0,1,0,0|2,0,0]=3 980 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,0,0,1,0,0|1,0,0]=2 981 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,0,0,1,0,0|2,0,0]=3 982 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,0,0,1,0,0|2,0,0]=3 983 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,0,0,1,0,0|2,0,0]=3 984 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,0,0,1,0,0|2,0,0]=3 985 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,0,0,1,0,0|3,0,0]=4 986 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,0,0,1,0,0|3,0,0]=4 987 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,0,0,1,0,0|3,0,0]=4 988 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,0,0,1,0,0|3,0,0]=4 989 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,0,0,1,0,0|3,0,0]=4 990 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,0,0,1,0,0|3,0,0]=4 991 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,0,0,1,0,0|2,0,0]=3 992 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,0,0,1,0,0|2,0,0]=3 993 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,0,0,1,0,0|2,0,0]=3 994 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,0,0,1,0,0|2,0,0]=3 995 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,0,0,1,0,0|3,0,0]=4 996 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,0,0,1,0,0|3,0,0]=4 997 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,0,0,1,0,0|3,0,0]=4 998 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,0,0,1,0,0|3,0,0]=4 999 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,0,0,1,0,0|2,0,0]=3 1000 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,0,0,1,0,0|2,0,0]=3 1001 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,0,0,1,0,0|2,0,0]=3 1002 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,0,0,1,0,0|2,0,0]=3 1003 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,0,0,1,0,0|3,0,0]=4 1004 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,0,0,1,0,0|3,0,0]=4 1005 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,0,0,1,0,0|3,0,0]=4 1006 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,0,0,1,0,0|3,0,0]=4 1007 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,0,0,1,0,0|3,0,0]=4 1008 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,0,0,1,0,0|3,0,0]=4 1009 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,0,0,1,0,0|2,0,0]=3 1010 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,0,0,1,0,0|2,0,0]=3 1011 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,0,0,1,0,0|2,0,0]=3 1012 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,0,0,1,0,0|2,0,0]=3 1013 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,0,0,1,0,0|2,0,1]=4 1014 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,0,0,1,0,0|2,0,1]=4 1015 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,0,0,1,0,0|2,0,1]=4 1016 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,0,0,1,0,0|3,0,0]=4 1017 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,0,0,1,0,0|3,0,0]=4 1018 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,0,0,1,0,0|2,0,0]=3 1019 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,0,0,1,0,0|2,0,0]=3 1020 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,0,0,1,0,0|3,0,0]=4 1021 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,0,0,1,0,0|3,0,0]=4 1022 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,0,0,1,0,0|3,0,0]=4 1023 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,0,0,1,0,0|3,0,0]=4 1024 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,0,0,1,0,0|3,0,0]=4 1025 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,0,0,1,0,0|2,0,0]=3 1026 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,0,0,1,0,0|3,0,0]=4 1027 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,0,0,1,0,0|3,0,0]=4 1028 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,0,0,1,0,0|3,0,0]=4 1029 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,0,0,1,0,0|3,0,0]=4 1030 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,0,0,1,0,0|2,0,0]=3 1031 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,0,0,1,0,0|2,0,0]=3 1032 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,0,0,1,0,0|3,0,0]=4 1033 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,0,0,1,0,0|3,0,0]=4 1034 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,0,0,1,0,0|3,0,0]=4 1035 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,0,0,1,0,0|3,0,0]=4 1036 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,0,0,1,0,0|2,0,0]=3 1037 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,0,0,1,0,0|2,0,0]=3 1038 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,0,0,1,0,0|3,0,0]=4 1039 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,0,0,1,0,0|3,0,0]=4 1040 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,0,0,1,0,0|2,0,0]=3 1041 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,0,0,1,0,0|1,0,1]=3 1042 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,0,0,1,0,0|2,0,0]=3 1043 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,0,0,1,0,0|2,0,0]=3 1044 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,0,0,1,0,0|1,0,1]=3 1045 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,0,0,1,0,0|2,0,0]=3 1046 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,0,0,1,0,0|2,0,0]=3 1047 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,0,0,1,0,0|1,0,0]=2 1048 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,0,0,1,0,0|3,0,0]=4 1049 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [0,0,0,1,0,0|2,0,1]=4 1050 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,0,0,1,0,0|1,0,0]=2 1051 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,0,0,1,0,0|1,0,0]=2 1052 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,0,0,1,0,0|1,0,0]=2 1053 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,0,0,1,0,0|1,0,0]=2 1054 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,0,0,1,0,0|1,0,0]=2 1055 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,0,0,1,0,0|1,0,0]=2 1056 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [0,0,0,1,0,0|2,0,1]=4 1057 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,0,0,1,0,0|1,0,0]=2 1058 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,0,0,1,0,0|1,0,0]=2 1059 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,0,0,1,0,0|1,0,0]=2 1060 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,0,0,1,0,0|3,0,0]=4 1061 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,0,0,1,0,0|3,0,0]=4 1062 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,0,0,1,0,0|2,0,0]=3 1063 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,0,0,1,0,0|2,0,0]=3 1064 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,0,0,1,0,0|2,0,0]=3 1065 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,0,0,1,0,0|2,0,0]=3 1066 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,0,0,1,0,0|2,0,0]=3 1067 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,0,0,1,0,0|2,0,0]=3 1068 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,0,0,1,0,0|2,0,0]=3 1069 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,0,0,1,0,0|2,0,0]=3 1070 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,0,0,1,0,0|2,0,0]=3 1071 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,0,0,1,0,0|2,0,0]=3 1072 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,0,0,1,0,0|2,0,0]=3 1073 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,0,0,1,0,0|2,0,0]=3 1074 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,0,0,1,0,0|2,0,0]=3 1075 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,0,0,1,0,0|2,0,0]=3 1076 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,0,0,1,0,0|2,0,0]=3 1077 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,0,0,1,0,0|2,0,0]=3 1078 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,0,0,1,0,0|2,0,0]=3 1079 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,0,0,1,0,0|2,0,0]=3 1080 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,0,0,1,0,0|2,0,0]=3 1081 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,0,0,1,0,0|2,0,0]=3 1082 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,0,0,1,0,0|2,0,0]=3 1083 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,0,0,1,0,0|2,0,0]=3 1084 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,0,0,1,0,0|1,0,0]=2 1085 B7R1.16 CC1(CC(=O)C1)C MCULE-4306266527 [0,0,0,1,0,0|2,0,0]=3 1086 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [0,0,0,1,0,0|3,0,0]=4 1087 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [0,0,0,1,0,0|3,0,0]=4 1088 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,0,0,1,0,0|2,0,0]=3 1089 B7R1.16 CC1(CC(C1)O)C MCULE-3648206950 [0,0,0,1,0,0|2,0,1]=4 1090 B7R1.16 CN1CC(C1)(C)N MCULE-3599561904 [0,0,0,1,0,0|2,0,1]=4 1091 B7R1.16 CN1CC(C1)(C)N MCULE-9558907051 [0,0,0,1,0,0|2,0,1]=4 1092 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [0,0,0,1,0,0|2,0,0]=3 1093 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [0,0,0,1,0,0|3,0,0]=4 1094 B7R1.20 CC(C)CC1CO1 MCULE-7259971470 [0,0,0,1,0,0|2,0,1]=4 1095 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [0,0,0,1,0,0|2,0,1]=4 1096 B7R1.20 CN(C)CC1CC1 MCULE-6678267289 [0,0,0,1,0,0|2,0,1]=4 1097 B7R1.20 CN(C)CC1CO1 MCULE-3116266625 [0,0,0,1,0,0|1,0,1]=3 1098 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [0,0,0,1,0,0|2,0,1]=4 1099 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [0,0,0,1,0,0|2,0,1]=4 1100 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [0,0,0,1,0,0|3,0,0]=4 1101 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [0,0,0,1,0,0|3,0,0]=4 1102 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,0,0,1,0,0|2,0,0]=3 1103 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,0,0,1,0,0|3,0,0]=4 1104 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [0,0,0,1,0,0|3,0,0]=4 1105 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [0,0,0,1,0,0|2,1,0]=4 1106 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [0,0,0,1,0,0|2,0,0]=3 1107 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [0,0,0,1,0,0|3,0,0]=4 1108 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [0,0,0,1,0,0|3,0,0]=4 1109 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,0,0,1,0,0|1,0,1]=3 1110 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,0,0,1,0,0|1,0,0]=2 1111 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,0,0,1,0,0|2,0,0]=3 1112 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,0,0,1,0,0|2,0,0]=3 1113 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [0,0,0,1,0,0|2,0,1]=4 1114 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [0,0,0,1,0,0|2,0,1]=4 1115 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [0,0,0,1,0,0|2,0,1]=4 1116 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [0,0,0,1,0,0|2,0,1]=4 1117 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [0,0,0,0,1,0|2,0,1]=4 1118 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [0,0,0,0,1,0|2,0,1]=4 1119 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [0,0,0,0,1,0|2,0,1]=4 1120 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [0,0,0,0,1,0|2,0,1]=4 1121 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [0,0,0,0,1,0|1,0,1]=3 1122 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [0,0,0,0,1,0|1,0,2]=4 1123 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [0,0,0,0,1,0|1,0,2]=4 1124 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [0,0,0,0,1,0|1,0,2]=4 1125 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [0,0,0,0,1,0|3,0,0]=4 1126 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [0,0,0,0,1,0|2,0,1]=4 1127 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [0,0,0,0,1,0|2,0,1]=4 1128 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [0,0,0,0,1,0|3,0,0]=4 1129 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [0,0,0,0,1,0|3,0,0]=4 1130 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [0,0,0,0,1,0|3,0,0]=4 1131 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [0,0,0,0,1,0|3,0,0]=4 1132 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [0,0,0,0,1,0|3,0,0]=4 1133 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [0,0,0,0,1,0|2,0,0]=3 1134 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [0,0,0,0,1,0|2,0,1]=4 1135 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [0,0,0,0,1,0|2,0,1]=4 1136 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [0,0,0,0,1,0|2,0,1]=4 1137 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [0,0,0,0,1,0|3,0,0]=4 1138 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [0,0,0,0,1,0|2,0,0]=3 1139 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [0,0,0,0,1,0|3,0,0]=4 1140 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [0,0,0,0,1,0|3,0,0]=4 1141 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [0,0,0,0,1,0|3,0,0]=4 1142 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [0,0,0,0,1,0|3,0,0]=4 1143 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [0,0,0,0,1,0|3,0,0]=4 1144 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [0,0,0,0,1,0|3,0,0]=4 1145 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [0,0,0,0,1,0|1,0,0]=2 1146 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [0,0,0,0,1,0|2,0,0]=3 1147 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [0,0,0,0,1,0|3,0,0]=4 1148 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [0,0,0,0,1,0|3,0,0]=4 1149 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [0,0,0,0,1,0|3,0,0]=4 1150 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [0,0,0,0,1,0|3,0,0]=4 1151 B5R0.5 CC(=S)N(C)C MCULE-6797990305 [0,0,0,0,1,0|1,1,0]=3 1152 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [0,0,0,0,1,0|3,0,0]=4 1153 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [0,0,0,0,1,0|3,0,0]=4 1154 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [0,0,0,0,1,0|3,0,0]=4 1155 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [0,0,0,0,1,0|2,0,0]=3 1156 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [0,0,0,0,1,0|2,0,0]=3 1157 B5R0.5 CC(C)B(O)O MCULE-1255589444 [0,0,0,0,1,0|2,0,1]=4 1158 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [0,0,0,0,1,0|3,0,0]=4 1159 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [0,0,0,0,1,0|3,0,0]=4 1160 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [0,0,0,0,1,0|2,0,0]=3 1161 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [0,0,0,0,1,0|2,0,0]=3 1162 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [0,0,0,0,1,0|2,0,0]=3 1163 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [0,0,0,0,1,0|1,0,0]=2 1164 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [0,0,0,0,1,0|1,1,0]=3 1165 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [0,0,0,0,1,0|2,1,0]=4 1166 B5R0.5 CC(C)C(C)O MCULE-4829392845 [0,0,0,0,1,0|2,0,1]=4 1167 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [0,0,0,0,1,0|2,0,1]=4 1168 B5R0.5 CC(C)N(C)C MCULE-1993251030 [0,0,0,0,1,0|2,0,1]=4 1169 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [0,0,0,0,1,0|3,0,0]=4 1170 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [0,0,0,0,1,0|2,0,0]=3 1171 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [0,0,0,0,1,0|2,0,1]=4 1172 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [0,0,0,0,1,0|2,0,1]=4 1173 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [0,0,0,0,1,0|2,0,1]=4 1174 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [0,0,0,0,1,0|2,0,1]=4 1175 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [0,0,0,0,1,0|3,0,0]=4 1176 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [0,0,0,0,1,0|3,0,0]=4 1177 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [0,0,0,0,1,0|2,0,0]=3 1178 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [0,0,0,0,1,0|2,0,0]=3 1179 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [0,0,0,0,1,0|2,0,0]=3 1180 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [0,0,0,0,1,0|3,0,0]=4 1181 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [0,0,0,0,1,0|3,0,0]=4 1182 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [0,0,0,0,1,0|3,0,0]=4 1183 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [0,0,0,0,1,0|3,0,0]=4 1184 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [0,0,0,0,1,0|3,0,0]=4 1185 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [0,0,0,0,1,0|3,0,0]=4 1186 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [0,0,0,0,1,0|3,0,0]=4 1187 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [0,0,0,0,1,0|2,0,0]=3 1188 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [0,0,0,0,1,0|2,0,0]=3 1189 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [0,0,0,0,1,0|2,0,0]=3 1190 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [0,0,0,0,1,0|2,0,0]=3 1191 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [0,0,0,0,1,0|3,0,0]=4 1192 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [0,0,0,0,1,0|3,0,0]=4 1193 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [0,0,0,0,1,0|2,0,0]=3 1194 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [0,0,0,0,1,0|2,0,0]=3 1195 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [0,0,0,0,1,0|2,0,1]=4 1196 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [0,0,0,0,1,0|2,0,1]=4 1197 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [0,0,0,0,1,0|2,0,1]=4 1198 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [0,0,0,0,1,0|3,0,0]=4 1199 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [0,0,0,0,1,0|2,0,0]=3 1200 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [0,0,0,0,1,0|2,0,0]=3 1201 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [0,0,0,0,1,0|2,0,0]=3 1202 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [0,0,0,0,1,0|2,0,0]=3 1203 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [0,0,0,0,1,0|2,0,0]=3 1204 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [0,0,0,0,1,0|1,0,0]=2 1205 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [0,0,0,0,1,0|1,0,0]=2 1206 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [0,0,0,0,1,0|0,0,0]=1 1207 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [0,0,0,0,1,0|0,0,1]=2 1208 B5R0.5 CN(C)C(=S)Cl MCULE-5232126468 [0,0,0,0,1,0|1,1,0]=3 1209 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [0,0,0,0,1,0|1,1,0]=3 1210 B5R0.5 CN(C)C(=S)S MCULE-4296425055 [0,0,0,0,1,0|0,2,0]=3 1211 B5R0.5 CN(C)C(=S)S MCULE-5159570847 [0,0,0,0,1,0|0,2,0]=3 1212 B5R0.5 CN(C)C(=S)[S-] MCULE-6390941151 [0,0,0,0,1,0|0,2,0]=3 1213 B5R0.5 CN(C)C(=S)[S-] MCULE-7709633048 [0,0,0,0,1,0|0,2,0]=3 1214 B5R0.5 CN(C)N(C)C MCULE-1054866442 [0,0,0,0,1,0|3,0,0]=4 1215 B5R0.5 CN(C)P(Cl)Cl MCULE-1449952756 [0,0,0,0,1,0|3,0,0]=4 1216 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [0,0,0,0,1,0|2,0,0]=3 1217 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [0,0,0,0,1,0|2,1,0]=4 1218 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [0,0,0,0,1,0|2,0,0]=3 1219 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [0,0,0,0,1,0|2,0,0]=3 1220 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [0,0,0,0,1,0|3,0,0]=4 1221 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [0,0,0,0,1,0|2,0,0]=3 1222 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [0,0,0,0,1,0|2,0,0]=3 1223 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [0,0,0,0,1,0|3,0,0]=4 1224 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [0,0,0,0,1,0|3,0,0]=4 1225 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [0,0,0,0,1,0|3,0,0]=4 1226 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [0,0,0,0,1,0|3,0,0]=4 1227 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [0,0,0,0,1,0|3,0,0]=4 1228 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [0,0,0,0,1,0|2,0,0]=3 1229 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [0,0,0,0,1,0|2,0,0]=3 1230 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [0,0,0,0,1,0|3,0,0]=4 1231 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [0,0,0,0,1,0|3,0,0]=4 1232 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [0,0,0,0,1,0|2,0,0]=3 1233 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [0,0,0,0,1,0|2,0,0]=3 1234 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [0,0,0,0,1,0|2,0,1]=4 1235 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [0,0,0,0,1,0|2,0,1]=4 1236 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [0,0,0,0,1,0|2,0,1]=4 1237 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [0,0,0,0,1,0|3,0,0]=4 1238 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [0,0,0,0,1,0|2,0,0]=3 1239 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [0,0,0,0,1,0|2,0,0]=3 1240 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [0,0,0,0,1,0|2,0,0]=3 1241 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [0,0,0,0,1,0|2,0,0]=3 1242 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [0,0,0,0,1,0|3,0,0]=4 1243 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [0,0,0,0,1,0|3,0,0]=4 1244 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [0,0,0,0,1,0|3,0,0]=4 1245 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [0,0,0,0,1,0|3,0,0]=4 1246 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [0,0,0,0,1,0|3,0,0]=4 1247 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [0,0,0,0,1,0|3,0,0]=4 1248 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [0,0,0,0,1,0|3,0,0]=4 1249 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [0,0,0,0,1,0|3,0,0]=4 1250 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [0,0,0,0,1,0|3,0,0]=4 1251 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [0,0,0,0,1,0|2,0,0]=3 1252 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [0,0,0,0,1,0|2,0,0]=3 1253 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [0,0,0,0,1,0|2,0,0]=3 1254 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [0,0,0,0,1,0|2,0,0]=3 1255 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [0,0,0,0,1,0|3,0,0]=4 1256 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [0,0,0,0,1,0|2,0,0]=3 1257 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [0,0,0,0,1,0|2,0,0]=3 1258 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [0,0,0,0,1,0|2,0,1]=4 1259 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [0,0,0,0,1,0|2,0,1]=4 1260 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [0,0,0,0,1,0|2,0,1]=4 1261 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [0,0,0,0,1,0|2,0,1]=4 1262 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [0,0,0,0,1,0|2,0,1]=4 1263 B5R0.5 C[N+](=C(Cl)Cl)C MCULE-8024225536 [0,0,0,0,1,0|2,0,1]=4 1264 B5R0.5 C[N+](=C(Cl)Cl)C MCULE-9306949257 [0,0,0,0,1,0|2,0,1]=4 1265 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [0,0,0,0,1,0|3,0,0]=4 1266 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [0,0,0,0,1,0|3,0,0]=4 1267 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [0,0,0,0,1,0|3,0,0]=4 1268 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [0,0,0,0,1,0|3,0,0]=4 1269 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [0,0,0,0,1,0|3,0,0]=4 1270 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [0,0,0,0,1,0|3,0,0]=4 1271 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [0,0,0,0,1,0|3,0,0]=4 1272 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [0,0,0,0,1,0|3,0,0]=4 1273 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [0,0,0,0,1,0|3,0,0]=4 1274 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [0,0,0,0,1,0|3,0,0]=4 1275 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [0,0,0,0,1,0|3,0,0]=4 1276 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [0,0,0,0,1,0|3,0,0]=4 1277 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [0,0,0,0,1,0|3,0,0]=4 1278 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [0,0,0,0,1,0|3,0,0]=4 1279 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [0,0,0,0,1,0|3,0,0]=4 1280 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [0,0,0,0,1,0|3,0,0]=4 1281 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [0,0,0,0,1,0|3,0,0]=4 1282 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [0,0,0,0,1,0|3,0,0]=4 1283 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [0,0,0,0,1,0|3,0,0]=4 1284 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [0,0,0,0,1,0|3,0,0]=4 1285 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [0,0,0,0,1,0|3,0,0]=4 1286 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [0,0,0,0,1,0|3,0,0]=4 1287 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [0,0,0,0,1,0|3,0,0]=4 1288 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [0,0,0,0,1,0|3,0,0]=4 1289 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1016641329 [0,0,0,0,1,0|2,0,0]=3 1290 B5R0.5 [NH2+]=C(Cl)N(C)C MCULE-1067760866 [0,0,0,0,1,0|2,0,0]=3 1291 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,0,0,0,0,1|2,0,1]=4 1292 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,0,0,0,0,1|2,0,1]=4 1293 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,0,0,0,0,1|2,0,1]=4 1294 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,0,0,0,0,1|1,0,1]=3 1295 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [0,0,0,0,0,1|3,0,0]=4 1296 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,0,0,0,0,1|2,0,1]=4 1297 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,0,0,0,0,1|1,0,1]=3 1298 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,0,0,0,0,1|2,0,1]=4 1299 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,0,0,0,0,1|1,0,0]=2 1300 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,0,0,0,0,1|1,0,1]=3 1301 B7R0.6 CC(=CCC(C)C)C MCULE-5578852998 [0,0,0,0,0,1|3,0,0]=4 1302 B7R0.6 CC(=NNC(=O)N)C MCULE-9452330207 [0,0,0,0,0,1|3,0,0]=4 1303 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,0,0,0,0,1|2,0,1]=4 1304 B7R0.6 CC(=O)/C=C/N(C)C MCULE-7703636114 [0,0,0,0,0,1|1,0,1]=3 1305 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,0,0,0,0,1|2,0,1]=4 1306 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [0,0,0,0,0,1|2,0,1]=4 1307 B7R0.6 CC(=O)C=CN(C)C MCULE-2800987098 [0,0,0,0,0,1|1,0,1]=3 1308 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,0,0,0,0,1|3,0,0]=4 1309 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,0,0,0,0,1|3,0,0]=4 1310 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,0,0,0,0,1|2,0,0]=3 1311 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,0,0,0,0,1|2,0,1]=4 1312 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,0,0,0,0,1|2,0,0]=3 1313 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,0,0,0,0,1|1,0,0]=2 1314 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,0,0,0,0,1|1,0,0]=2 1315 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,0,0,0,0,1|3,0,0]=4 1316 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,0,0,0,0,1|3,0,0]=4 1317 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,0,0,0,0,1|2,0,0]=3 1318 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,0,0,0,0,1|2,0,0]=3 1319 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,0,0,0,0,1|3,0,0]=4 1320 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,0,0,0,0,1|2,0,0]=3 1321 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,0,0,0,0,1|2,0,0]=3 1322 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,0,0,0,0,1|3,0,0]=4 1323 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,0,0,0,0,1|3,0,0]=4 1324 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,0,0,0,0,1|2,0,0]=3 1325 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,0,0,0,0,1|3,0,0]=4 1326 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,0,0,0,0,1|3,0,0]=4 1327 B7R0.6 CC(=O)NNC(C)C MCULE-8896858149 [0,0,0,0,0,1|3,0,0]=4 1328 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,0,0,0,0,1|3,0,0]=4 1329 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,0,0,0,0,1|2,0,0]=3 1330 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,0,0,0,0,1|2,0,0]=3 1331 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,0,0,0,0,1|3,0,0]=4 1332 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,0,0,0,0,1|3,0,0]=4 1333 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,0,0,0,0,1|2,0,0]=3 1334 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,0,0,0,0,1|2,0,0]=3 1335 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,0,0,0,0,1|1,0,1]=3 1336 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,0,0,0,0,1|1,0,1]=3 1337 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,0,0,0,0,1|1,0,1]=3 1338 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [0,0,0,0,0,1|2,0,1]=4 1339 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [0,0,0,0,0,1|3,0,0]=4 1340 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [0,0,0,0,0,1|3,0,0]=4 1341 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,0,0,0,0,1|2,0,0]=3 1342 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,0,0,0,0,1|2,0,0]=3 1343 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,0,0,0,0,1|1,0,0]=2 1344 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [0,0,0,0,0,1|2,1,0]=4 1345 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [0,0,0,0,0,1|2,0,1]=4 1346 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [0,0,0,0,0,1|2,0,1]=4 1347 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,0,0,0,0,1|2,0,0]=3 1348 B7R0.6 CC(C)CNC(=S)N MCULE-4099725026 [0,0,0,0,0,1|2,1,0]=4 1349 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,0,0,0,0,1|2,0,0]=3 1350 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,0,0,0,0,1|2,0,0]=3 1351 B7R0.6 CC(C)COC(=S)[S-] MCULE-2950087835 [0,0,0,0,0,1|1,2,0]=4 1352 B7R0.6 CC(C)COC(=S)[S-] MCULE-9454360265 [0,0,0,0,0,1|1,2,0]=4 1353 B7R0.6 CC(C)CSC(=N)N MCULE-3628542246 [0,0,0,0,0,1|3,0,0]=4 1354 B7R0.6 CC(C)CSC(=N)N MCULE-5586193026 [0,0,0,0,0,1|3,0,0]=4 1355 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,0,0,0,0,1|2,0,0]=3 1356 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,0,0,0,0,1|2,0,0]=3 1357 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,0,0,0,0,1|2,0,0]=3 1358 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,0,0,0,0,1|1,0,0]=2 1359 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,0,0,0,0,1|1,0,0]=2 1360 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,0,0,0,0,1|2,0,0]=3 1361 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,0,0,0,0,1|1,0,0]=2 1362 B7R0.6 CC(C)OCC(=S)N MCULE-8843903229 [0,0,0,0,0,1|2,1,0]=4 1363 B7R0.6 CC(C)OC[C@H](C)O MCULE-2195035455 [0,0,0,0,0,1|2,0,1]=4 1364 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,0,0,0,0,1|1,0,0]=2 1365 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,0,0,0,0,1|3,0,0]=4 1366 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,0,0,0,0,1|2,0,0]=3 1367 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,0,0,0,0,1|2,0,0]=3 1368 B7R0.6 CC(N)CCN(C)C MCULE-9256005237 [0,0,0,0,0,1|2,0,1]=4 1369 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,0,0,0,0,1|2,0,0]=3 1370 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,0,0,0,0,1|2,0,1]=4 1371 B7R0.6 CC(O)CCN(C)C MCULE-7246080230 [0,0,0,0,0,1|1,0,1]=3 1372 B7R0.6 CC(O)CNC(C)C MCULE-9932831006 [0,0,0,0,0,1|2,0,1]=4 1373 B7R0.6 CC(O)COC(C)C MCULE-3357280817 [0,0,0,0,0,1|2,0,1]=4 1374 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,0,0,0,0,1|2,0,0]=3 1375 B7R0.6 CN(C)/C=C/N(=O)=O MCULE-7969743170 [0,0,0,0,0,1|1,0,2]=4 1376 B7R0.6 CN(C)/C=N/C(=S)N MCULE-6122717322 [0,0,0,0,0,1|1,1,1]=4 1377 B7R0.6 CN(C)C=CC(=S)N MCULE-7137295535 [0,0,0,0,0,1|1,1,1]=4 1378 B7R0.6 CN(C)C=C[N+](=O)[O-] MCULE-6966490578 [0,0,0,0,0,1|1,0,2]=4 1379 B7R0.6 CN(C)C=NC(=S)N MCULE-5921630120 [0,0,0,0,0,1|1,1,1]=4 1380 B7R0.6 CN(C)CCC(=N)N MCULE-3452380324 [0,0,0,0,0,1|2,0,0]=3 1381 B7R0.6 CN(C)CCC(=N)N MCULE-7661734671 [0,0,0,0,0,1|2,0,0]=3 1382 B7R0.6 CN(C)CCC(=N)N MCULE-9745909230 [0,0,0,0,0,1|2,0,0]=3 1383 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,0,0,0,0,1|0,0,0]=1 1384 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,0,0,0,0,1|0,0,0]=1 1385 B7R0.6 CN(C)CCN(C)C MCULE-1720617857 [0,0,0,0,0,1|3,0,0]=4 1386 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,0,0,0,0,1|2,0,0]=3 1387 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,0,0,0,0,1|2,0,0]=3 1388 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,0,0,0,0,1|2,0,0]=3 1389 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,0,0,0,0,1|2,0,0]=3 1390 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,0,0,0,0,1|2,0,0]=3 1391 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,0,0,0,0,1|2,0,0]=3 1392 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,0,0,0,0,1|2,0,0]=3 1393 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,0,0,0,0,1|2,0,0]=3 1394 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,0,0,0,0,1|1,0,0]=2 1395 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,0,0,0,0,1|1,0,0]=2 1396 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,0,0,0,0,1|1,0,1]=3 1397 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,0,0,0,0,1|3,0,0]=4 1398 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,0,0,0,0,1|3,0,0]=4 1399 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,0,0,0,0,1|3,0,0]=4 1400 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,0,0,0,0,1|3,0,0]=4 1401 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,0,0,0,0,1|3,0,0]=4 1402 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,0,0,0,0,1|3,0,0]=4 1403 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,0,0,0,0,1|3,0,0]=4 1404 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,0,0,0,0,1|3,0,0]=4 1405 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,0,0,0,0,1|3,0,0]=4 1406 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,0,0,0,0,1|3,0,0]=4 1407 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,0,0,0,0,1|3,0,0]=4 1408 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,0,0,0,0,1|3,0,0]=4 1409 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,0,0,0,0,1|2,0,1]=4 1410 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,0,0,0,0,1|3,0,0]=4 1411 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,0,0,0,0,1|3,0,0]=4 1412 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,0,0,0,0,1|3,0,0]=4 1413 B4R0.1 C#CC(=O)O MCULE-8764256624 [2,0,0,0,0,0|0,0,2]=4 1414 B4R0.1 C(C)(N)CO MCULE-5844242932 [2,0,0,0,0,0|2,0,0]=4 1415 B4R0.1 C=C(Br)CC MCULE-6271946451 [2,0,0,0,0,0|2,0,0]=4 1416 B4R0.1 C=C(Br)CN MCULE-1170417597 [2,0,0,0,0,0|2,0,0]=4 1417 B4R0.1 C=C(Br)CN MCULE-9190049156 [2,0,0,0,0,0|2,0,0]=4 1418 B4R0.1 C=C(C)C=O MCULE-3758355501 [2,0,0,0,0,0|1,0,1]=4 1419 B4R0.1 C=C(C)CN MCULE-1033495975 [2,0,0,0,0,0|2,0,0]=4 1420 B4R0.1 C=C(C)CN MCULE-8730181300 [2,0,0,0,0,0|2,0,0]=4 1421 B4R0.1 C=C(C)CO MCULE-8641288398 [2,0,0,0,0,0|1,0,1]=4 1422 B4R0.1 C=C(Cl)CN MCULE-2159410121 [2,0,0,0,0,0|2,0,0]=4 1423 B4R0.1 C=C(Cl)CN MCULE-3454023553 [2,0,0,0,0,0|2,0,0]=4 1424 B4R0.1 C=C(F)CN MCULE-1603171858 [2,0,0,0,0,0|2,0,0]=4 1425 B4R0.1 C=C(F)CN MCULE-3878727292 [2,0,0,0,0,0|2,0,0]=4 1426 B4R0.1 C=C=C(C)C MCULE-8705186354 [2,0,0,0,0,0|1,0,1]=4 1427 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|0,0,2]=4 1428 B4R0.1 C=NN(C)C MCULE-4915917395 [2,0,0,0,0,0|1,0,0]=3 1429 B4R0.1 CC(=CBr)C MCULE-9508381610 [2,0,0,0,0,0|2,0,0]=4 1430 B4R0.1 CC(=CCl)C MCULE-4321554138 [2,0,0,0,0,0|2,0,0]=4 1431 B4R0.1 CC(=NO)C MCULE-3243100216 [2,0,0,0,0,0|2,0,0]=4 1432 B4R0.1 CC(=O)C=O MCULE-2718961814 [2,0,0,0,0,0|2,0,0]=4 1433 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|2,0,0]=4 1434 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|2,0,0]=4 1435 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|2,0,0]=4 1436 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|1,0,0]=3 1437 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|1,0,0]=3 1438 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|2,0,0]=4 1439 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|2,0,0]=4 1440 B4R0.1 CC(=O)NBr MCULE-6502070876 [2,0,0,0,0,0|2,0,0]=4 1441 B4R0.1 CC(=O)NN MCULE-9183467120 [2,0,0,0,0,0|2,0,0]=4 1442 B4R0.1 CC(=O)NO MCULE-2682231025 [2,0,0,0,0,0|2,0,0]=4 1443 B4R0.1 CC(Br)C=O MCULE-6060704330 [2,0,0,0,0,0|2,0,0]=4 1444 B4R0.1 CC(Br)CO MCULE-8344365003 [2,0,0,0,0,0|2,0,0]=4 1445 B4R0.1 CC(C)C=O MCULE-3575731904 [2,0,0,0,0,0|1,0,0]=3 1446 B4R0.1 CC(C)CBr MCULE-6039420480 [2,0,0,0,0,0|2,0,0]=4 1447 B4R0.1 CC(C)CCl MCULE-6524976746 [2,0,0,0,0,0|2,0,0]=4 1448 B4R0.1 CC(C)CI MCULE-5280589461 [2,0,0,0,0,0|2,0,0]=4 1449 B4R0.1 CC(C)CN MCULE-2158650588 [2,0,0,0,0,0|2,0,0]=4 1450 B4R0.1 CC(C)CN MCULE-6751437658 [2,0,0,0,0,0|2,0,0]=4 1451 B4R0.1 CC(C)CN MCULE-8319193456 [2,0,0,0,0,0|2,0,0]=4 1452 B4R0.1 CC(C)CN MCULE-8705657065 [2,0,0,0,0,0|2,0,0]=4 1453 B4R0.1 CC(C)CO MCULE-6294327194 [2,0,0,0,0,0|1,0,0]=3 1454 B4R0.1 CC(C)CP MCULE-3724358658 [2,0,0,0,0,0|2,0,0]=4 1455 B4R0.1 CC(C)CS MCULE-7978911055 [2,0,0,0,0,0|1,1,0]=4 1456 B4R0.1 CC(C)NO MCULE-6516566403 [2,0,0,0,0,0|2,0,0]=4 1457 B4R0.1 CC(C)NO MCULE-8545146035 [2,0,0,0,0,0|2,0,0]=4 1458 B4R0.1 CC(Cl)CO MCULE-3857255988 [2,0,0,0,0,0|2,0,0]=4 1459 B4R0.1 CC(Cl)CO MCULE-7538548427 [2,0,0,0,0,0|2,0,0]=4 1460 B4R0.1 CC(F)CO MCULE-6006763378 [2,0,0,0,0,0|2,0,0]=4 1461 B4R0.1 CC(N)C=O MCULE-3421118418 [2,0,0,0,0,0|2,0,0]=4 1462 B4R0.1 CC(N)CO MCULE-1361379423 [2,0,0,0,0,0|2,0,0]=4 1463 B4R0.1 CC(N)CO MCULE-2098440985 [2,0,0,0,0,0|2,0,0]=4 1464 B4R0.1 CC(O)CN MCULE-4370440652 [2,0,0,0,0,0|1,0,1]=4 1465 B4R0.1 CC(O)CN MCULE-5694317743 [2,0,0,0,0,0|1,0,1]=4 1466 B4R0.1 CC(O)CN MCULE-6406041538 [2,0,0,0,0,0|1,0,1]=4 1467 B4R0.1 CC(O)CN MCULE-6636652305 [2,0,0,0,0,0|1,0,1]=4 1468 B4R0.1 CC(O)CO MCULE-5574440784 [2,0,0,0,0,0|2,0,0]=4 1469 B4R0.1 CC(O)CO MCULE-8743139013 [2,0,0,0,0,0|2,0,0]=4 1470 B4R0.1 CC(S)CO MCULE-5090908062 [2,0,0,0,0,0|2,0,0]=4 1471 B4R0.1 CC=C(C)C MCULE-4230157245 [2,0,0,0,0,0|2,0,0]=4 1472 B4R0.1 CCB(O)O MCULE-1650960999 [2,0,0,0,0,0|1,0,1]=4 1473 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|2,0,0]=4 1474 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|2,0,0]=4 1475 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,0]=3 1476 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|1,0,0]=3 1477 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,0]=3 1478 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,0]=3 1479 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|1,0,0]=3 1480 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|0,0,0]=2 1481 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|0,0,0]=2 1482 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|0,1,0]=3 1483 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|0,0,1]=3 1484 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|1,1,0]=4 1485 B4R0.1 CCC(C)C MCULE-5376105936 [2,0,0,0,0,0|1,0,1]=4 1486 B4R0.1 CCC(C)O MCULE-4099350806 [2,0,0,0,0,0|1,0,1]=4 1487 B4R0.1 CCC(C)O MCULE-5005120003 [2,0,0,0,0,0|1,0,1]=4 1488 B4R0.1 CCN(=O)=O MCULE-6603591614 [2,0,0,0,0,0|1,0,1]=4 1489 B4R0.1 CCN(C)C MCULE-5825033552 [2,0,0,0,0,0|0,0,1]=3 1490 B4R0.1 CCN(C)N MCULE-2279492356 [2,0,0,0,0,0|1,0,1]=4 1491 B4R0.1 CCN(C)N MCULE-5660338703 [2,0,0,0,0,0|1,0,1]=4 1492 B4R0.1 CCN(C)N MCULE-9839987578 [2,0,0,0,0,0|1,0,1]=4 1493 B4R0.1 CCS(=O)C MCULE-4400935745 [2,0,0,0,0,0|2,0,0]=4 1494 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|1,0,0]=3 1495 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [2,0,0,0,0,0|1,0,1]=4 1496 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [2,0,0,0,0,0|1,0,1]=4 1497 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [2,0,0,0,0,0|1,0,1]=4 1498 B4R0.1 CC[C@H](C)O MCULE-3700911573 [2,0,0,0,0,0|1,0,1]=4 1499 B4R0.1 CC[C@H](C)O MCULE-6063716138 [2,0,0,0,0,0|1,0,1]=4 1500 B4R0.1 CN(C)C#N MCULE-2744421860 [2,0,0,0,0,0|1,0,1]=4 1501 B4R0.1 CN(C)C=O MCULE-6290117712 [2,0,0,0,0,0|0,0,0]=2 1502 B4R0.1 CN(C)C=S MCULE-3571847382 [2,0,0,0,0,0|0,1,0]=3 1503 B4R0.1 CN(C)CCl MCULE-4906480184 [2,0,0,0,0,0|1,0,0]=3 1504 B4R0.1 CN(C)CCl MCULE-5465672480 [2,0,0,0,0,0|1,0,0]=3 1505 B4R0.1 CN(C)N=O MCULE-1157726226 [2,0,0,0,0,0|1,0,0]=3 1506 B4R0.1 CN(N)C=O MCULE-6353057165 [2,0,0,0,0,0|1,0,0]=3 1507 B4R0.1 CNC(=N)N MCULE-1074994749 [2,0,0,0,0,0|2,0,0]=4 1508 B4R0.1 CNC(=N)N MCULE-6149731862 [2,0,0,0,0,0|2,0,0]=4 1509 B4R0.1 CNC(=N)N MCULE-7667364021 [2,0,0,0,0,0|2,0,0]=4 1510 B4R0.1 CNC(=N)N MCULE-7854448694 [2,0,0,0,0,0|2,0,0]=4 1511 B4R0.1 CNC(=O)C MCULE-2612997941 [2,0,0,0,0,0|1,0,0]=3 1512 B4R0.1 CNC(=O)Cl MCULE-7743744606 [2,0,0,0,0,0|1,0,0]=3 1513 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|1,0,0]=3 1514 B4R0.1 CNC(=S)C MCULE-8699171591 [2,0,0,0,0,0|1,1,0]=4 1515 B4R0.1 CNC(=S)N MCULE-7103250725 [2,0,0,0,0,0|1,1,0]=4 1516 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [2,0,0,0,0,0|0,2,0]=4 1517 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [2,0,0,0,0,0|0,2,0]=4 1518 B4R0.1 CNN(C)C MCULE-7120869955 [2,0,0,0,0,0|1,0,1]=4 1519 B4R0.1 CNN(C)C MCULE-8318926099 [2,0,0,0,0,0|1,0,1]=4 1520 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|2,0,0]=4 1521 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|2,0,0]=4 1522 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|2,0,0]=4 1523 B4R0.1 CSC(=O)C MCULE-7061634598 [2,0,0,0,0,0|2,0,0]=4 1524 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [2,0,0,0,0,0|2,0,0]=4 1525 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [2,0,0,0,0,0|2,0,0]=4 1526 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [2,0,0,0,0,0|2,0,0]=4 1527 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [2,0,0,0,0,0|2,0,0]=4 1528 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [2,0,0,0,0,0|2,0,0]=4 1529 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [2,0,0,0,0,0|2,0,0]=4 1530 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [2,0,0,0,0,0|2,0,0]=4 1531 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [2,0,0,0,0,0|1,0,1]=4 1532 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [2,0,0,0,0,0|2,0,0]=4 1533 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [2,0,0,0,0,0|2,0,0]=4 1534 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [2,0,0,0,0,0|2,0,0]=4 1535 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [2,0,0,0,0,0|2,0,0]=4 1536 B4R0.1 C[C@H](F)CO MCULE-1024261541 [2,0,0,0,0,0|2,0,0]=4 1537 B4R0.1 C[C@H](F)CO MCULE-7028098137 [2,0,0,0,0,0|2,0,0]=4 1538 B4R0.1 C[C@H](N)CO MCULE-2471107013 [2,0,0,0,0,0|2,0,0]=4 1539 B4R0.1 C[C@H](N)CO MCULE-5424195678 [2,0,0,0,0,0|2,0,0]=4 1540 B4R0.1 C[C@H](O)CN MCULE-3227371869 [2,0,0,0,0,0|1,0,1]=4 1541 B4R0.1 C[C@H](O)CN MCULE-5480489257 [2,0,0,0,0,0|1,0,1]=4 1542 B4R0.1 C[C@H](O)CO MCULE-6582852191 [2,0,0,0,0,0|2,0,0]=4 1543 B4R0.1 C[C@H](O)CO MCULE-8074793296 [2,0,0,0,0,0|2,0,0]=4 1544 B4R0.1 C[N+](=CBr)C MCULE-4078543172 [2,0,0,0,0,0|1,0,1]=4 1545 B4R0.1 C[N+](=CBr)C MCULE-9146783444 [2,0,0,0,0,0|1,0,1]=4 1546 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [2,0,0,0,0,0|1,0,1]=4 1547 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [2,0,0,0,0,0|1,0,1]=4 1548 B4R0.1 N=C(N)CN MCULE-2761790792 [2,0,0,0,0,0|2,0,0]=4 1549 B4R0.1 N=C(N)CN MCULE-5131841850 [2,0,0,0,0,0|2,0,0]=4 1550 B4R0.1 N=C(N)CN MCULE-6618111844 [2,0,0,0,0,0|2,0,0]=4 1551 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|2,0,0]=4 1552 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|2,0,0]=4 1553 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|2,0,0]=4 1554 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|2,0,0]=4 1555 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|2,0,0]=4 1556 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|2,0,0]=4 1557 B4R0.1 NC(=O)NO MCULE-9465284053 [2,0,0,0,0,0|2,0,0]=4 1558 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|1,0,0]=3 1559 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|1,0,0]=3 1560 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|1,0,0]=3 1561 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|0,0,0]=2 1562 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|0,0,0]=2 1563 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|0,0,0]=2 1564 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|0,0,0]=2 1565 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|0,0,0]=2 1566 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|0,1,0]=3 1567 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|0,0,1]=3 1568 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [2,0,0,0,0,0|1,0,1]=4 1569 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [2,0,0,0,0,0|1,0,1]=4 1570 B4R0.1 NNC(=O)N MCULE-3392559370 [2,0,0,0,0,0|2,0,0]=4 1571 B4R0.1 NNC(=O)N MCULE-8490374775 [2,0,0,0,0,0|2,0,0]=4 1572 B4R0.1 O=C(Br)CBr MCULE-6031858200 [2,0,0,0,0,0|2,0,0]=4 1573 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [2,0,0,0,0,0|2,0,0]=4 1574 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [2,0,0,0,0,0|2,0,0]=4 1575 B4R0.1 O=C(Cl)CF MCULE-7182087882 [2,0,0,0,0,0|2,0,0]=4 1576 B4R0.1 O=C(Cl)CI MCULE-5719121455 [2,0,0,0,0,0|2,0,0]=4 1577 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|1,0,0]=3 1578 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|1,0,0]=3 1579 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|1,0,0]=3 1580 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|1,0,0]=3 1581 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|1,0,0]=3 1582 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|1,0,0]=3 1583 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|1,0,1]=4 1584 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|1,0,1]=4 1585 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|1,0,1]=4 1586 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|1,0,1]=4 1587 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|1,0,1]=4 1588 B4R0.1 O=S(O)CO MCULE-4195832185 [2,0,0,0,0,0|2,0,0]=4 1589 B4R0.1 P(=O)(O)CN MCULE-5441171864 [2,0,0,0,0,0|1,0,0]=3 1590 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [2,0,0,0,0,0|1,0,1]=4 1591 B4R0.2 C#CCNC MCULE-9758975590 [2,0,0,0,0,0|1,0,1]=4 1592 B4R0.2 C/C=C/C=O MCULE-9924705308 [2,0,0,0,0,0|1,0,1]=4 1593 B4R0.2 C=CCCC MCULE-8386546337 [2,0,0,0,0,0|2,0,0]=4 1594 B4R0.2 C=CCNC MCULE-3335720336 [2,0,0,0,0,0|1,0,0]=3 1595 B4R0.2 C=CCNN MCULE-2550690274 [2,0,0,0,0,0|2,0,0]=4 1596 B4R0.2 C=CCNN MCULE-3554567414 [2,0,0,0,0,0|2,0,0]=4 1597 B4R0.2 C=CCNN MCULE-8741523989 [2,0,0,0,0,0|2,0,0]=4 1598 B4R0.2 C=CCOC MCULE-3321225771 [2,0,0,0,0,0|2,0,0]=4 1599 B4R0.2 C=CCSC MCULE-4452023915 [2,0,0,0,0,0|2,0,0]=4 1600 B4R0.2 CC#CC=O MCULE-9270622693 [2,0,0,0,0,0|1,0,1]=4 1601 B4R0.2 CC=CC=O MCULE-2497362981 [2,0,0,0,0,0|1,0,1]=4 1602 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|1,0,0]=3 1603 B4R0.2 CCCCO MCULE-1571156443 [2,0,0,0,0,0|1,0,1]=4 1604 B4R0.2 CCCNC MCULE-2266616259 [2,0,0,0,0,0|1,0,1]=4 1605 B4R0.2 CCCNC MCULE-7722796872 [2,0,0,0,0,0|1,0,1]=4 1606 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|2,0,0]=4 1607 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|2,0,0]=4 1608 B4R0.2 CNCC#N MCULE-1233170363 [2,0,0,0,0,0|1,0,1]=4 1609 B4R0.2 CNCC#N MCULE-4334159739 [2,0,0,0,0,0|1,0,1]=4 1610 B4R0.2 CNCC#N MCULE-8267124503 [2,0,0,0,0,0|1,0,1]=4 1611 B4R0.2 CNCCBr MCULE-3708780806 [2,0,0,0,0,0|1,0,1]=4 1612 B4R0.2 CNCCBr MCULE-6840755559 [2,0,0,0,0,0|1,0,1]=4 1613 B4R0.2 CNCCCl MCULE-1666345560 [2,0,0,0,0,0|1,0,1]=4 1614 B4R0.2 CNCCCl MCULE-8215813413 [2,0,0,0,0,0|1,0,1]=4 1615 B4R0.2 CNCCF MCULE-3719880423 [2,0,0,0,0,0|1,0,1]=4 1616 B4R0.2 CNCCF MCULE-3751701745 [2,0,0,0,0,0|1,0,1]=4 1617 B4R0.2 CNCCI MCULE-7026781832 [2,0,0,0,0,0|1,0,1]=4 1618 B4R0.2 CNCCI MCULE-8892686580 [2,0,0,0,0,0|1,0,1]=4 1619 B4R0.2 CNCCN MCULE-2881688448 [2,0,0,0,0,0|1,0,1]=4 1620 B4R0.2 CNCCN MCULE-7199403269 [2,0,0,0,0,0|1,0,1]=4 1621 B4R0.2 CNCCO MCULE-7051900771 [2,0,0,0,0,0|0,0,1]=3 1622 B4R0.2 CNCCO MCULE-7934732981 [2,0,0,0,0,0|0,0,1]=3 1623 B4R0.2 CNCCS MCULE-6430516369 [2,0,0,0,0,0|0,1,1]=4 1624 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|1,0,0]=3 1625 B4R0.2 COCCO MCULE-4751927883 [2,0,0,0,0,0|1,0,1]=4 1626 B4R0.2 CSCCO MCULE-9706874325 [2,0,0,0,0,0|1,0,1]=4 1627 B4R0.2 NNCCO MCULE-1290652744 [2,0,0,0,0,0|1,0,1]=4 1628 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|2,0,0]=4 1629 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|2,0,0]=4 1630 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|2,0,0]=4 1631 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|2,0,0]=4 1632 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [1,1,0,0,0,0|2,0,0]=4 1633 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [1,1,0,0,0,0|1,0,1]=4 1634 B6R0.1 C#CCN(C)CC MCULE-4046146529 [1,1,0,0,0,0|1,0,1]=4 1635 B6R0.1 C#CCN(C)CC MCULE-6846440848 [1,1,0,0,0,0|1,0,1]=4 1636 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [1,1,0,0,0,0|1,0,1]=4 1637 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [1,1,0,0,0,0|2,0,0]=4 1638 B6R0.1 C=CC(=O)COC MCULE-1933195578 [1,1,0,0,0,0|2,0,0]=4 1639 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [1,1,0,0,0,0|1,0,1]=4 1640 B6R0.1 C=CCC(C)CC MCULE-8680856865 [1,1,0,0,0,0|2,0,0]=4 1641 B6R0.1 C=CCC(C)CO MCULE-9174943108 [1,1,0,0,0,0|2,0,0]=4 1642 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [1,1,0,0,0,0|1,0,1]=4 1643 B6R0.1 CC(CN)CCO MCULE-5515163518 [1,1,0,0,0,0|1,0,1]=4 1644 B6R0.1 CC(CO)CCO MCULE-5240961149 [1,1,0,0,0,0|1,0,1]=4 1645 B6R0.1 CC(CO)CCO MCULE-8678967805 [1,1,0,0,0,0|1,0,1]=4 1646 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [1,1,0,0,0,0|1,0,1]=4 1647 B6R0.1 CCC(=O)CNC MCULE-3030105640 [1,1,0,0,0,0|1,0,0]=3 1648 B6R0.1 CCC(=O)CNC MCULE-6945295017 [1,1,0,0,0,0|1,0,0]=3 1649 B6R0.1 CCC(=O)COC MCULE-1087802011 [1,1,0,0,0,0|2,0,0]=4 1650 B6R0.1 CCC(=O)CSC MCULE-3230433182 [1,1,0,0,0,0|2,0,0]=4 1651 B6R0.1 CCC(C)CC=O MCULE-9143756592 [1,1,0,0,0,0|1,0,0]=3 1652 B6R0.1 CCC(C)CCO MCULE-6482427735 [1,1,0,0,0,0|1,0,1]=4 1653 B6R0.1 CCC(C)NC=O MCULE-2197007756 [1,1,0,0,0,0|2,0,0]=4 1654 B6R0.1 CCC(C)OC=O MCULE-9361787208 [1,1,0,0,0,0|2,0,0]=4 1655 B6R0.1 CCC(O)CNC MCULE-2490431367 [1,1,0,0,0,0|1,0,1]=4 1656 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [1,1,0,0,0,0|2,0,0]=4 1657 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [1,1,0,0,0,0|2,0,0]=4 1658 B6R0.1 CCCC(=NO)C MCULE-6437787263 [1,1,0,0,0,0|2,0,0]=4 1659 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [1,1,0,0,0,0|2,0,0]=4 1660 B6R0.1 CCCC(=O)CC MCULE-7121523805 [1,1,0,0,0,0|2,0,0]=4 1661 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [1,1,0,0,0,0|2,0,0]=4 1662 B6R0.1 CCCC(=O)CN MCULE-4663263123 [1,1,0,0,0,0|2,0,0]=4 1663 B6R0.1 CCCC(=O)CN MCULE-6326368932 [1,1,0,0,0,0|2,0,0]=4 1664 B6R0.1 CCCC(=O)CO MCULE-6518249412 [1,1,0,0,0,0|1,0,0]=3 1665 B6R0.1 CCCC(=O)NC MCULE-5770149071 [1,1,0,0,0,0|2,0,0]=4 1666 B6R0.1 CCCC(=O)NN MCULE-3660167295 [1,1,0,0,0,0|2,0,0]=4 1667 B6R0.1 CCCC(=O)NO MCULE-8710375368 [1,1,0,0,0,0|1,0,0]=3 1668 B6R0.1 CCCC(=O)OC MCULE-1092030267 [1,1,0,0,0,0|1,0,0]=3 1669 B6R0.1 CCCC(=O)SC MCULE-1490654381 [1,1,0,0,0,0|1,1,0]=4 1670 B6R0.1 CCCC(=S)OC MCULE-8125476093 [1,1,0,0,0,0|1,1,0]=4 1671 B6R0.1 CCN(C)CCCl MCULE-4264927085 [1,1,0,0,0,0|1,0,1]=4 1672 B6R0.1 CCN(C)CCCl MCULE-8125659652 [1,1,0,0,0,0|1,0,1]=4 1673 B6R0.1 CCN(C)CCN MCULE-9503910262 [1,1,0,0,0,0|1,0,1]=4 1674 B6R0.1 CCN(C)CCO MCULE-5519271145 [1,1,0,0,0,0|0,0,1]=3 1675 B6R0.1 CCN(C)CCS MCULE-9974758531 [1,1,0,0,0,0|0,1,1]=4 1676 B6R0.1 CCN(N)CCO MCULE-7988723724 [1,1,0,0,0,0|1,0,1]=4 1677 B6R0.1 CCNC(=O)CO MCULE-1386307800 [1,1,0,0,0,0|2,0,0]=4 1678 B6R0.1 CCNC(=O)NO MCULE-3264850022 [1,1,0,0,0,0|2,0,0]=4 1679 B6R0.1 CCNC(=O)OC MCULE-7110705188 [1,1,0,0,0,0|2,0,0]=4 1680 B6R0.1 CCOC(=O)CO MCULE-8121340151 [1,1,0,0,0,0|2,0,0]=4 1681 B6R0.1 CCOC(=O)NO MCULE-4701193610 [1,1,0,0,0,0|2,0,0]=4 1682 B6R0.1 CCOC(=O)OC MCULE-1185162684 [1,1,0,0,0,0|2,0,0]=4 1683 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [1,1,0,0,0,0|1,0,1]=4 1684 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [1,1,0,0,0,0|1,0,1]=4 1685 B6R0.1 CN(C=O)CCO MCULE-3588371476 [1,1,0,0,0,0|0,0,2]=4 1686 B6R0.1 CN(CCO)N=O MCULE-3975606321 [1,1,0,0,0,0|1,0,1]=4 1687 B6R0.1 CNC(C)CCO MCULE-4722422254 [1,1,0,0,0,0|1,0,1]=4 1688 B6R0.1 CNCC(=O)NC MCULE-4579550577 [1,1,0,0,0,0|1,0,0]=3 1689 B6R0.1 CNCC(=O)NC MCULE-7833395637 [1,1,0,0,0,0|1,0,0]=3 1690 B6R0.1 CNCC(=O)NN MCULE-8639164023 [1,1,0,0,0,0|1,0,0]=3 1691 B6R0.1 CNCC(=O)OC MCULE-1667683926 [1,1,0,0,0,0|0,0,0]=2 1692 B6R0.1 CNCC(=O)OC MCULE-5530863658 [1,1,0,0,0,0|0,0,0]=2 1693 B6R0.1 CNCC(C)CO MCULE-6329429747 [1,1,0,0,0,0|1,0,1]=4 1694 B6R0.1 CNCC(C)OC MCULE-6977139114 [1,1,0,0,0,0|1,0,1]=4 1695 B6R0.1 CNCC(C)OC MCULE-8216810034 [1,1,0,0,0,0|1,0,1]=4 1696 B6R0.1 CNCC(O)CF MCULE-3368370486 [1,1,0,0,0,0|1,0,1]=4 1697 B6R0.1 CNCC(O)CN MCULE-1077260629 [1,1,0,0,0,0|1,0,1]=4 1698 B6R0.1 CNCC(O)CO MCULE-4566952448 [1,1,0,0,0,0|0,0,2]=4 1699 B6R0.1 CNC[C@H](O)CO MCULE-3410453252 [1,1,0,0,0,0|0,0,2]=4 1700 B6R0.1 CNN(C)CCN MCULE-3863653213 [1,1,0,0,0,0|1,0,1]=4 1701 B6R0.1 CNNC(=O)OC MCULE-4763095719 [1,1,0,0,0,0|1,0,0]=3 1702 B6R0.1 COC(=O)CC#N MCULE-2699345092 [1,1,0,0,0,0|2,0,0]=4 1703 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,1,0,0,0,0|2,0,0]=4 1704 B6R0.1 COC(=O)CCBr MCULE-3565567444 [1,1,0,0,0,0|2,0,0]=4 1705 B6R0.1 COC(=O)CCCl MCULE-5034007224 [1,1,0,0,0,0|2,0,0]=4 1706 B6R0.1 COC(=O)CCI MCULE-5984806612 [1,1,0,0,0,0|2,0,0]=4 1707 B6R0.1 COC(=O)CCN MCULE-2306060188 [1,1,0,0,0,0|2,0,0]=4 1708 B6R0.1 COC(=O)CCN MCULE-8245275833 [1,1,0,0,0,0|2,0,0]=4 1709 B6R0.1 COC(=O)CCO MCULE-8538834260 [1,1,0,0,0,0|2,0,0]=4 1710 B6R0.1 COC(=O)CCS MCULE-1695345183 [1,1,0,0,0,0|2,0,0]=4 1711 B6R0.1 COC(=O)CNN MCULE-3287579794 [1,1,0,0,0,0|1,0,0]=3 1712 B6R0.1 COC(=O)CNN MCULE-3838874166 [1,1,0,0,0,0|1,0,0]=3 1713 B6R0.1 COC(=O)CON MCULE-4799038238 [1,1,0,0,0,0|2,0,0]=4 1714 B6R0.1 COC(=O)CSC MCULE-6735536033 [1,1,0,0,0,0|1,0,0]=3 1715 B6R0.1 COC(C)CC=O MCULE-7243333697 [1,1,0,0,0,0|1,0,0]=3 1716 B6R0.1 COC(C)CCO MCULE-7396381165 [1,1,0,0,0,0|1,0,1]=4 1717 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [1,1,0,0,0,0|2,0,0]=4 1718 B6R0.1 COCC(=N)OC MCULE-2350779439 [1,1,0,0,0,0|2,0,0]=4 1719 B6R0.1 COCC(=N)OC MCULE-7810421458 [1,1,0,0,0,0|2,0,0]=4 1720 B6R0.1 COCC(=O)CCl MCULE-7542636020 [1,1,0,0,0,0|2,0,0]=4 1721 B6R0.1 COCC(=O)NN MCULE-4127487886 [1,1,0,0,0,0|2,0,0]=4 1722 B6R0.1 COCC(=O)OC MCULE-8337685268 [1,1,0,0,0,0|1,0,0]=3 1723 B6R0.1 CON(C)CCN MCULE-9318319159 [1,1,0,0,0,0|1,0,1]=4 1724 B6R0.1 CONC(=O)OC MCULE-9304532248 [1,1,0,0,0,0|2,0,0]=4 1725 B6R0.1 CSC(C)CC=O MCULE-9433914892 [1,1,0,0,0,0|1,0,0]=3 1726 B6R0.1 CSC(C)CCO MCULE-4317600086 [1,1,0,0,0,0|1,0,1]=4 1727 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [1,1,0,0,0,0|2,0,0]=4 1728 B6R0.1 CSCC(=O)NN MCULE-8151954663 [1,1,0,0,0,0|2,0,0]=4 1729 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [1,1,0,0,0,0|1,0,1]=4 1730 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [1,1,0,0,0,0|1,0,1]=4 1731 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [1,1,0,0,0,0|1,0,1]=4 1732 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [1,1,0,0,0,0|2,0,0]=4 1733 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [1,1,0,0,0,0|2,0,0]=4 1734 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [1,1,0,0,0,0|1,0,1]=4 1735 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [1,1,0,0,0,0|1,0,0]=3 1736 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,1,0,0,0,0|1,0,1]=4 1737 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,1,0,0,0,0|1,0,1]=4 1738 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,1,0,0,0,0|1,0,1]=4 1739 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,1,0,0,0,0|1,0,1]=4 1740 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [1,1,0,0,0,0|1,0,1]=4 1741 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [1,1,0,0,0,0|1,0,1]=4 1742 B6R0.3 C=CC(=O)N(C)C MCULE-3105693382 [1,1,0,0,0,0|1,0,1]=4 1743 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [1,1,0,0,0,0|1,0,1]=4 1744 B6R0.3 C=CC(C)C(C)C MCULE-4461669612 [1,1,0,0,0,0|2,0,0]=4 1745 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [1,1,0,0,0,0|1,0,1]=4 1746 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [1,1,0,0,0,0|1,0,1]=4 1747 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [1,1,0,0,0,0|1,0,1]=4 1748 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [1,1,0,0,0,0|1,0,1]=4 1749 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [1,1,0,0,0,0|1,0,1]=4 1750 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [1,1,0,0,0,0|2,0,0]=4 1751 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [1,1,0,0,0,0|1,0,1]=4 1752 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [1,1,0,0,0,0|1,0,1]=4 1753 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [1,1,0,0,0,0|1,0,1]=4 1754 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [1,1,0,0,0,0|1,0,1]=4 1755 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [1,1,0,0,0,0|1,0,1]=4 1756 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [1,1,0,0,0,0|1,0,1]=4 1757 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [1,1,0,0,0,0|1,0,1]=4 1758 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [1,1,0,0,0,0|1,0,1]=4 1759 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [1,1,0,0,0,0|1,0,1]=4 1760 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [1,1,0,0,0,0|1,0,1]=4 1761 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [1,1,0,0,0,0|1,0,1]=4 1762 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [1,1,0,0,0,0|2,0,0]=4 1763 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [1,1,0,0,0,0|2,0,0]=4 1764 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [1,1,0,0,0,0|2,0,0]=4 1765 B6R0.3 CC(C#N)N(C)C MCULE-5893415129 [1,1,0,0,0,0|1,0,1]=4 1766 B6R0.3 CC(C)C(Br)C=O MCULE-2054791376 [1,1,0,0,0,0|1,0,0]=3 1767 B6R0.3 CC(C)C(C)CO MCULE-7008552664 [1,1,0,0,0,0|1,0,1]=4 1768 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [1,1,0,0,0,0|1,0,1]=4 1769 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [1,1,0,0,0,0|1,0,1]=4 1770 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [1,1,0,0,0,0|1,0,1]=4 1771 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [1,1,0,0,0,0|1,0,1]=4 1772 B6R0.3 CC(C)C(S)CO MCULE-1903780493 [1,1,0,0,0,0|1,0,1]=4 1773 B6R0.3 CC(C)[C@@H](C)CO MCULE-4943691177 [1,1,0,0,0,0|1,0,1]=4 1774 B6R0.3 CC(C)[C@@H](C)CO MCULE-6583781047 [1,1,0,0,0,0|1,0,1]=4 1775 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [1,1,0,0,0,0|1,0,1]=4 1776 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [1,1,0,0,0,0|1,0,1]=4 1777 B6R0.3 CC(C)[C@H](C)CO MCULE-9527582465 [1,1,0,0,0,0|1,0,1]=4 1778 B6R0.3 CC(C)[C@H](N)C=O MCULE-6686967175 [1,1,0,0,0,0|1,0,0]=3 1779 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [1,1,0,0,0,0|1,0,1]=4 1780 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [1,1,0,0,0,0|1,0,1]=4 1781 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [1,1,0,0,0,0|1,0,1]=4 1782 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [1,1,0,0,0,0|1,0,1]=4 1783 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [1,1,0,0,0,0|2,0,0]=4 1784 B6R0.3 CC(CCl)N(C)C MCULE-1058476958 [1,1,0,0,0,0|1,0,1]=4 1785 B6R0.3 CC(CCl)N(C)C MCULE-3515287037 [1,1,0,0,0,0|1,0,1]=4 1786 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [1,1,0,0,0,0|2,0,0]=4 1787 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [1,1,0,0,0,0|2,0,0]=4 1788 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [1,1,0,0,0,0|2,0,0]=4 1789 B6R0.3 CC(CN)N(C)C MCULE-1383449400 [1,1,0,0,0,0|1,0,1]=4 1790 B6R0.3 CC(CN)N(C)C MCULE-9891789912 [1,1,0,0,0,0|1,0,1]=4 1791 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [1,1,0,0,0,0|2,0,0]=4 1792 B6R0.3 CC(CO)N(C)C MCULE-7300076854 [1,1,0,0,0,0|0,0,1]=3 1793 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [1,1,0,0,0,0|1,0,1]=4 1794 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [1,1,0,0,0,0|2,0,0]=4 1795 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [1,1,0,0,0,0|2,0,0]=4 1796 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [1,1,0,0,0,0|2,0,0]=4 1797 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [1,1,0,0,0,0|2,0,0]=4 1798 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [1,1,0,0,0,0|2,0,0]=4 1799 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,1,0,0,0,0|1,0,1]=4 1800 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,1,0,0,0,0|1,0,1]=4 1801 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,1,0,0,0,0|1,0,1]=4 1802 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,1,0,0,0,0|1,0,1]=4 1803 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,1,0,0,0,0|1,0,1]=4 1804 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [1,1,0,0,0,0|1,0,1]=4 1805 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [1,1,0,0,0,0|2,0,0]=4 1806 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [1,1,0,0,0,0|2,0,0]=4 1807 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [1,1,0,0,0,0|2,0,0]=4 1808 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [1,1,0,0,0,0|2,0,0]=4 1809 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,1,0,0,0,0|1,0,0]=3 1810 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [1,1,0,0,0,0|2,0,0]=4 1811 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [1,1,0,0,0,0|2,0,0]=4 1812 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [1,1,0,0,0,0|2,0,0]=4 1813 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,1,0,0,0,0|1,0,0]=3 1814 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,1,0,0,0,0|1,0,0]=3 1815 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [1,1,0,0,0,0|2,0,0]=4 1816 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [1,1,0,0,0,0|2,0,0]=4 1817 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,1,0,0,0,0|1,0,0]=3 1818 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,1,0,0,0,0|1,0,0]=3 1819 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [1,1,0,0,0,0|2,0,0]=4 1820 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [1,1,0,0,0,0|2,0,0]=4 1821 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [1,1,0,0,0,0|2,0,0]=4 1822 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [1,1,0,0,0,0|2,0,0]=4 1823 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,1,0,0,0,0|1,0,0]=3 1824 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,1,0,0,0,0|1,0,0]=3 1825 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,1,0,0,0,0|1,0,0]=3 1826 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,1,0,0,0,0|1,0,0]=3 1827 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,1,0,0,0,0|2,0,0]=4 1828 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,1,0,0,0,0|1,0,0]=3 1829 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,1,0,0,0,0|1,0,0]=3 1830 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,1,0,0,0,0|1,0,1]=4 1831 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,1,0,0,0,0|1,0,1]=4 1832 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [1,1,0,0,0,0|2,0,0]=4 1833 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,1,0,0,0,0|1,0,0]=3 1834 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,1,0,0,0,0|1,0,0]=3 1835 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,1,0,0,0,0|1,0,0]=3 1836 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [1,1,0,0,0,0|2,0,0]=4 1837 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [1,1,0,0,0,0|2,0,0]=4 1838 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,1,0,0,0,0|1,0,0]=3 1839 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,1,0,0,0,0|1,0,0]=3 1840 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,1,0,0,0,0|1,0,0]=3 1841 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,1,0,0,0,0|1,0,0]=3 1842 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [1,1,0,0,0,0|2,0,0]=4 1843 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [1,1,0,0,0,0|2,0,0]=4 1844 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [1,1,0,0,0,0|2,0,0]=4 1845 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [1,1,0,0,0,0|2,0,0]=4 1846 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,1,0,0,0,0|1,0,0]=3 1847 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,1,0,0,0,0|1,0,0]=3 1848 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,1,0,0,0,0|1,0,0]=3 1849 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,1,0,0,0,0|1,0,0]=3 1850 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,1,0,0,0,0|1,0,0]=3 1851 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,1,0,0,0,0|1,0,0]=3 1852 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,1,0,0,0,0|1,0,0]=3 1853 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,1,0,0,0,0|1,0,0]=3 1854 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,1,0,0,0,0|1,0,0]=3 1855 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,1,0,0,0,0|1,0,0]=3 1856 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,1,0,0,0,0|1,0,0]=3 1857 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [1,1,0,0,0,0|2,0,0]=4 1858 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [1,1,0,0,0,0|2,0,0]=4 1859 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [1,1,0,0,0,0|2,0,0]=4 1860 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [1,1,0,0,0,0|2,0,0]=4 1861 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,1,0,0,0,0|1,0,0]=3 1862 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,1,0,0,0,0|1,0,0]=3 1863 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,1,0,0,0,0|1,0,0]=3 1864 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,1,0,0,0,0|1,0,0]=3 1865 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [1,1,0,0,0,0|1,1,0]=4 1866 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [1,1,0,0,0,0|1,1,0]=4 1867 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,1,0,0,0,0|1,0,0]=3 1868 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,1,0,0,0,0|1,0,0]=3 1869 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,1,0,0,0,0|1,0,1]=4 1870 B6R0.3 CN(C)/C(=N/O)/N MCULE-3547286812 [1,1,0,0,0,0|1,0,1]=4 1871 B6R0.3 CN(C)/C(=N\O)/N MCULE-4834817007 [1,1,0,0,0,0|1,0,1]=4 1872 B6R0.3 CN(C)C(=O)CO MCULE-8470749078 [1,1,0,0,0,0|0,0,2]=4 1873 B6R0.3 CN(C)C(=O)NO MCULE-7406409363 [1,1,0,0,0,0|1,0,1]=4 1874 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [1,1,0,0,0,0|0,0,1]=3 1875 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [1,1,0,0,0,0|1,0,0]=3 1876 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [1,1,0,0,0,0|1,0,0]=3 1877 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [1,1,0,0,0,0|0,0,0]=2 1878 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [1,1,0,0,0,0|0,0,0]=2 1879 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [1,1,0,0,0,0|0,0,0]=2 1880 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [1,1,0,0,0,0|1,0,0]=3 1881 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [1,1,0,0,0,0|0,0,0]=2 1882 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [1,1,0,0,0,0|0,0,0]=2 1883 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [1,1,0,0,0,0|0,0,0]=2 1884 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [1,1,0,0,0,0|0,0,0]=2 1885 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [1,1,0,0,0,0|0,0,0]=2 1886 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [1,1,0,0,0,0|0,0,0]=2 1887 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [1,1,0,0,0,0|0,0,0]=2 1888 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [1,1,0,0,0,0|1,0,1]=4 1889 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [1,1,0,0,0,0|2,0,0]=4 1890 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [1,1,0,0,0,0|1,0,0]=3 1891 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [1,1,0,0,0,0|2,0,0]=4 1892 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [1,1,0,0,0,0|2,0,0]=4 1893 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [1,1,0,0,0,0|1,0,0]=3 1894 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [1,1,0,0,0,0|2,0,0]=4 1895 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [1,1,0,0,0,0|1,0,0]=3 1896 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [1,1,0,0,0,0|1,0,0]=3 1897 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [1,1,0,0,0,0|1,0,0]=3 1898 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [1,1,0,0,0,0|1,0,0]=3 1899 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [1,1,0,0,0,0|2,0,0]=4 1900 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [1,1,0,0,0,0|1,0,0]=3 1901 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [1,1,0,0,0,0|2,0,0]=4 1902 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [1,1,0,0,0,0|2,0,0]=4 1903 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [1,1,0,0,0,0|2,0,0]=4 1904 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [1,1,0,0,0,0|2,0,0]=4 1905 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [1,1,0,0,0,0|2,0,0]=4 1906 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [1,1,0,0,0,0|2,0,0]=4 1907 B6R0.3 C[C@@H](CO)N(C)C MCULE-4388248602 [1,1,0,0,0,0|0,0,1]=3 1908 B6R0.3 C[C@@H](CS)N(C)C MCULE-7111398165 [1,1,0,0,0,0|0,1,1]=4 1909 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [1,1,0,0,0,0|2,0,0]=4 1910 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [1,1,0,0,0,0|2,0,0]=4 1911 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [1,1,0,0,0,0|2,0,0]=4 1912 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [1,1,0,0,0,0|2,0,0]=4 1913 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [1,1,0,0,0,0|2,0,0]=4 1914 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [1,1,0,0,0,0|2,0,0]=4 1915 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [1,1,0,0,0,0|2,0,0]=4 1916 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [1,1,0,0,0,0|2,0,0]=4 1917 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [1,1,0,0,0,0|2,0,0]=4 1918 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [1,1,0,0,0,0|2,0,0]=4 1919 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [1,1,0,0,0,0|2,0,0]=4 1920 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [1,1,0,0,0,0|2,0,0]=4 1921 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [1,1,0,0,0,0|2,0,0]=4 1922 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [1,1,0,0,0,0|2,0,0]=4 1923 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [1,1,0,0,0,0|2,0,0]=4 1924 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [1,1,0,0,0,0|2,0,0]=4 1925 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [1,1,0,0,0,0|2,0,0]=4 1926 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [1,1,0,0,0,0|2,0,0]=4 1927 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [1,1,0,0,0,0|2,0,0]=4 1928 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [1,1,0,0,0,0|2,0,0]=4 1929 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [1,1,0,0,0,0|2,0,0]=4 1930 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [1,1,0,0,0,0|2,0,0]=4 1931 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [1,1,0,0,0,0|2,0,0]=4 1932 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [1,1,0,0,0,0|2,0,0]=4 1933 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [1,1,0,0,0,0|2,0,0]=4 1934 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [1,1,0,0,0,0|2,0,0]=4 1935 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [1,1,0,0,0,0|2,0,0]=4 1936 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [1,1,0,0,0,0|2,0,0]=4 1937 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [1,1,0,0,0,0|2,0,0]=4 1938 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [1,1,0,0,0,0|2,0,0]=4 1939 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [1,1,0,0,0,0|2,0,0]=4 1940 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [1,1,0,0,0,0|2,0,0]=4 1941 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [1,1,0,0,0,0|2,0,0]=4 1942 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [1,1,0,0,0,0|2,0,0]=4 1943 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [1,1,0,0,0,0|2,0,0]=4 1944 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [1,1,0,0,0,0|2,0,0]=4 1945 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [1,1,0,0,0,0|2,0,0]=4 1946 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [1,1,0,0,0,0|2,0,0]=4 1947 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [1,1,0,0,0,0|2,0,0]=4 1948 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [1,1,0,0,0,0|2,0,0]=4 1949 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [1,1,0,0,0,0|2,0,0]=4 1950 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [1,1,0,0,0,0|2,0,0]=4 1951 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [1,1,0,0,0,0|2,0,0]=4 1952 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [1,1,0,0,0,0|2,0,0]=4 1953 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [1,1,0,0,0,0|2,0,0]=4 1954 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [1,1,0,0,0,0|2,0,0]=4 1955 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [1,1,0,0,0,0|2,0,0]=4 1956 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [1,1,0,0,0,0|2,0,0]=4 1957 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [1,1,0,0,0,0|2,0,0]=4 1958 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [1,1,0,0,0,0|2,0,0]=4 1959 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [1,1,0,0,0,0|2,0,0]=4 1960 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [1,1,0,0,0,0|2,0,0]=4 1961 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [1,1,0,0,0,0|2,0,0]=4 1962 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [1,1,0,0,0,0|2,0,0]=4 1963 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [1,1,0,0,0,0|2,0,0]=4 1964 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [1,1,0,0,0,0|2,0,0]=4 1965 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [1,1,0,0,0,0|2,0,0]=4 1966 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [1,1,0,0,0,0|2,0,0]=4 1967 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [1,1,0,0,0,0|2,0,0]=4 1968 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [1,1,0,0,0,0|2,0,0]=4 1969 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [1,1,0,0,0,0|2,0,0]=4 1970 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [1,1,0,0,0,0|2,0,0]=4 1971 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [1,1,0,0,0,0|2,0,0]=4 1972 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [1,1,0,0,0,0|2,0,0]=4 1973 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [1,1,0,0,0,0|2,0,0]=4 1974 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [1,1,0,0,0,0|2,0,0]=4 1975 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [1,1,0,0,0,0|2,0,0]=4 1976 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [1,1,0,0,0,0|2,0,0]=4 1977 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [1,1,0,0,0,0|2,0,0]=4 1978 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [1,1,0,0,0,0|2,0,0]=4 1979 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [1,1,0,0,0,0|2,0,0]=4 1980 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [1,1,0,0,0,0|2,0,0]=4 1981 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [1,1,0,0,0,0|2,0,0]=4 1982 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [1,1,0,0,0,0|2,0,0]=4 1983 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [1,1,0,0,0,0|2,0,0]=4 1984 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [1,1,0,0,0,0|2,0,0]=4 1985 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [1,1,0,0,0,0|2,0,0]=4 1986 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [1,1,0,0,0,0|2,0,0]=4 1987 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [1,1,0,0,0,0|2,0,0]=4 1988 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [1,1,0,0,0,0|2,0,0]=4 1989 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [1,1,0,0,0,0|2,0,0]=4 1990 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [1,1,0,0,0,0|2,0,0]=4 1991 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [1,1,0,0,0,0|2,0,0]=4 1992 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [1,1,0,0,0,0|2,0,0]=4 1993 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [1,1,0,0,0,0|2,0,0]=4 1994 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [1,1,0,0,0,0|2,0,0]=4 1995 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [1,1,0,0,0,0|2,0,0]=4 1996 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [1,1,0,0,0,0|2,0,0]=4 1997 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [1,1,0,0,0,0|2,0,0]=4 1998 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [1,1,0,0,0,0|2,0,0]=4 1999 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [1,1,0,0,0,0|2,0,0]=4 2000 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [1,1,0,0,0,0|2,0,0]=4 2001 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [1,1,0,0,0,0|2,0,0]=4 2002 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [1,1,0,0,0,0|1,0,1]=4 2003 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [1,1,0,0,0,0|2,0,0]=4 2004 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [1,1,0,0,0,0|0,0,0]=2 2005 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,1,0,0,0,0|1,0,0]=3 2006 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [1,1,0,0,0,0|2,0,0]=4 2007 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,1,0,0,0,0|1,0,1]=4 2008 B6R0.4 C#CCCN(C)C MCULE-9558095172 [1,1,0,0,0,0|1,0,1]=4 2009 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,1,0,0,0,0|2,0,0]=4 2010 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,1,0,0,0,0|2,0,0]=4 2011 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,1,0,0,0,0|1,0,0]=3 2012 B6R0.4 C=C(C)CNCC MCULE-2237759977 [1,1,0,0,0,0|2,0,0]=4 2013 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,1,0,0,0,0|1,0,1]=4 2014 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,1,0,0,0,0|1,0,1]=4 2015 B6R0.4 C=CCCC(C)C MCULE-7128249655 [1,1,0,0,0,0|2,0,0]=4 2016 B6R0.4 C=CCNC(C)C MCULE-1450045891 [1,1,0,0,0,0|2,0,0]=4 2017 B6R0.4 C=CCNC(C)C MCULE-3261189096 [1,1,0,0,0,0|2,0,0]=4 2018 B6R0.4 C=CCNC(C)C MCULE-4894255968 [1,1,0,0,0,0|2,0,0]=4 2019 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,1,0,0,0,0|0,0,1]=3 2020 B6R0.4 C=COCC(C)C MCULE-7268141053 [1,1,0,0,0,0|2,0,0]=4 2021 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,1,0,0,0,0|1,0,0]=3 2022 B6R0.4 CC(=CCCO)C MCULE-2493404466 [1,1,0,0,0,0|1,0,1]=4 2023 B6R0.4 CC(=CCCO)C MCULE-8497528596 [1,1,0,0,0,0|1,0,1]=4 2024 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [1,1,0,0,0,0|2,0,0]=4 2025 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,1,0,0,0,0|2,0,0]=4 2026 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,1,0,0,0,0|2,0,0]=4 2027 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,1,0,0,0,0|2,0,0]=4 2028 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,1,0,0,0,0|2,0,0]=4 2029 B6R0.4 CC(C)C=CC=O MCULE-5034551905 [1,1,0,0,0,0|1,0,1]=4 2030 B6R0.4 CC(C)CCC=O MCULE-9664145623 [1,1,0,0,0,0|1,0,0]=3 2031 B6R0.4 CC(C)CCCO MCULE-5797993948 [1,1,0,0,0,0|1,0,1]=4 2032 B6R0.4 CC(C)CCON MCULE-2653553816 [1,1,0,0,0,0|1,0,1]=4 2033 B6R0.4 CC(C)CCON MCULE-6468395078 [1,1,0,0,0,0|1,0,1]=4 2034 B6R0.4 CC(C)CN=C=O MCULE-3174970377 [1,1,0,0,0,0|1,0,1]=4 2035 B6R0.4 CC(C)CNC=O MCULE-2156996206 [1,1,0,0,0,0|1,0,0]=3 2036 B6R0.4 CC(C)COC=O MCULE-8234906771 [1,1,0,0,0,0|1,0,0]=3 2037 B6R0.4 CC(C)CON=O MCULE-8394966903 [1,1,0,0,0,0|2,0,0]=4 2038 B6R0.4 CC(C)NCCO MCULE-1749029105 [1,1,0,0,0,0|1,0,1]=4 2039 B6R0.4 CC(C)OCC=O MCULE-5974054323 [1,1,0,0,0,0|1,0,0]=3 2040 B6R0.4 CC(C)OCCO MCULE-8766149613 [1,1,0,0,0,0|1,0,1]=4 2041 B6R0.4 CC(C)SCC=O MCULE-3174965592 [1,1,0,0,0,0|1,0,0]=3 2042 B6R0.4 CC(C)SCCO MCULE-1467015400 [1,1,0,0,0,0|1,0,1]=4 2043 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,1,0,0,0,0|1,0,1]=4 2044 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,1,0,0,0,0|1,0,0]=3 2045 B6R0.4 CC=CCC(C)C MCULE-7145682250 [1,1,0,0,0,0|2,0,0]=4 2046 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,1,0,0,0,0|1,0,1]=4 2047 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,1,0,0,0,0|1,0,1]=4 2048 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,1,0,0,0,0|2,0,0]=4 2049 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,1,0,0,0,0|2,0,0]=4 2050 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,1,0,0,0,0|2,0,0]=4 2051 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,1,0,0,0,0|2,0,0]=4 2052 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,1,0,0,0,0|1,0,0]=3 2053 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,1,0,0,0,0|1,0,1]=4 2054 B6R0.4 CCCCN(C)C MCULE-7202077639 [1,1,0,0,0,0|1,0,1]=4 2055 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,1,0,0,0,0|2,0,0]=4 2056 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,1,0,0,0,0|2,0,0]=4 2057 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,1,0,0,0,0|2,0,0]=4 2058 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,1,0,0,0,0|2,0,0]=4 2059 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,1,0,0,0,0|2,0,0]=4 2060 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,1,0,0,0,0|2,0,0]=4 2061 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,1,0,0,0,0|2,0,0]=4 2062 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,1,0,0,0,0|2,0,0]=4 2063 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,1,0,0,0,0|1,0,0]=3 2064 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,1,0,0,0,0|1,0,0]=3 2065 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,1,0,0,0,0|1,0,0]=3 2066 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,1,0,0,0,0|1,0,0]=3 2067 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,1,0,0,0,0|0,0,0]=2 2068 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,1,0,0,0,0|0,0,0]=2 2069 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,1,0,0,0,0|1,0,1]=4 2070 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,1,0,0,0,0|1,0,1]=4 2071 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,1,0,0,0,0|1,0,1]=4 2072 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,1,0,0,0,0|1,0,1]=4 2073 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,1,0,0,0,0|1,0,1]=4 2074 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,1,0,0,0,0|2,0,0]=4 2075 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,1,0,0,0,0|2,0,0]=4 2076 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,1,0,0,0,0|1,0,0]=3 2077 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,1,0,0,0,0|2,0,0]=4 2078 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,1,0,0,0,0|1,0,0]=3 2079 B6R0.4 CN(C)/C=C/C#N MCULE-6362841128 [1,1,0,0,0,0|1,0,1]=4 2080 B6R0.4 CN(C)/C=C/C=O MCULE-2048385164 [1,1,0,0,0,0|0,0,1]=3 2081 B6R0.4 CN(C)C=CC#N MCULE-7232815292 [1,1,0,0,0,0|1,0,1]=4 2082 B6R0.4 CN(C)C=CC=O MCULE-3308636651 [1,1,0,0,0,0|0,0,1]=3 2083 B6R0.4 CN(C)CCC#N MCULE-8979604677 [1,1,0,0,0,0|1,0,1]=4 2084 B6R0.4 CN(C)CCC=O MCULE-6830649526 [1,1,0,0,0,0|0,0,0]=2 2085 B6R0.4 CN(C)CCCBr MCULE-2862944726 [1,1,0,0,0,0|1,0,1]=4 2086 B6R0.4 CN(C)CCCBr MCULE-4596026048 [1,1,0,0,0,0|1,0,1]=4 2087 B6R0.4 CN(C)CCCBr MCULE-7515880350 [1,1,0,0,0,0|1,0,1]=4 2088 B6R0.4 CN(C)CCCCl MCULE-1347366200 [1,1,0,0,0,0|1,0,1]=4 2089 B6R0.4 CN(C)CCCCl MCULE-3767329555 [1,1,0,0,0,0|1,0,1]=4 2090 B6R0.4 CN(C)CCCI MCULE-2134226049 [1,1,0,0,0,0|1,0,1]=4 2091 B6R0.4 CN(C)CCCI MCULE-2999516061 [1,1,0,0,0,0|1,0,1]=4 2092 B6R0.4 CN(C)CCCN MCULE-3882436382 [1,1,0,0,0,0|1,0,1]=4 2093 B6R0.4 CN(C)CCCN MCULE-4415270662 [1,1,0,0,0,0|1,0,1]=4 2094 B6R0.4 CN(C)CCCN MCULE-4624916051 [1,1,0,0,0,0|1,0,1]=4 2095 B6R0.4 CN(C)CCCN MCULE-4749435878 [1,1,0,0,0,0|1,0,1]=4 2096 B6R0.4 CN(C)CCCN MCULE-9301668058 [1,1,0,0,0,0|1,0,1]=4 2097 B6R0.4 CN(C)CCCO MCULE-7408728427 [1,1,0,0,0,0|0,0,1]=3 2098 B6R0.4 CN(C)CCCS MCULE-7945161812 [1,1,0,0,0,0|0,1,1]=4 2099 B6R0.4 CN(C)CCNN MCULE-5321668174 [1,1,0,0,0,0|1,0,1]=4 2100 B6R0.4 CN(C)CCNN MCULE-6578987911 [1,1,0,0,0,0|1,0,1]=4 2101 B6R0.4 CN(C)CCON MCULE-1981169712 [1,1,0,0,0,0|0,0,1]=3 2102 B6R0.4 CN(C)CCON MCULE-6706970282 [1,1,0,0,0,0|0,0,1]=3 2103 B6R0.4 CN(C)NCCCl MCULE-2462354397 [1,1,0,0,0,0|1,0,1]=4 2104 B6R0.4 CN(C)NCCCl MCULE-7933853049 [1,1,0,0,0,0|1,0,1]=4 2105 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,1,0,0,0,0|1,0,0]=3 2106 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,1,0,0,0,0|1,0,0]=3 2107 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,1,0,0,0,0|0,0,0]=2 2108 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,1,0,0,0,0|0,0,0]=2 2109 B6R0.4 CNCCC(C)O MCULE-1615526002 [1,1,0,0,0,0|1,0,1]=4 2110 B6R0.4 CNCCN(C)C MCULE-3324857553 [1,1,0,0,0,0|1,0,1]=4 2111 B6R0.4 CNCCN(C)C MCULE-8014008412 [1,1,0,0,0,0|1,0,1]=4 2112 B6R0.4 CNCCN(C)C MCULE-9954339750 [1,1,0,0,0,0|1,0,1]=4 2113 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,1,0,0,0,0|1,0,1]=4 2114 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,1,0,0,0,0|1,0,1]=4 2115 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,1,0,0,0,0|2,0,0]=4 2116 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,1,0,0,0,0|2,0,0]=4 2117 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,1,0,0,0,0|2,0,0]=4 2118 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,1,0,0,0,0|1,0,0]=3 2119 B6R0.4 COCCC(C)C MCULE-8727768886 [1,1,0,0,0,0|1,0,1]=4 2120 B6R0.4 COCCN(C)C MCULE-5323166567 [1,1,0,0,0,0|0,0,1]=3 2121 B6R0.4 COCCN(C)N MCULE-9480733049 [1,1,0,0,0,0|1,0,1]=4 2122 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,1,0,0,0,0|2,0,0]=4 2123 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,1,0,0,0,0|2,0,0]=4 2124 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,1,0,0,0,0|0,0,2]=4 2125 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,1,0,0,0,0|2,0,0]=4 2126 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,1,0,0,0,0|2,0,0]=4 2127 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,1,0,0,0,0|2,0,0]=4 2128 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,1,0,0,0,0|1,0,0]=3 2129 B6R0.4 CSCCN(C)C MCULE-2148124964 [1,1,0,0,0,0|0,1,1]=4 2130 B6R0.4 CSCCN(C)C MCULE-5176242697 [1,1,0,0,0,0|0,1,1]=4 2131 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,1,0,0,0,0|2,0,0]=4 2132 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,1,0,0,0,0|1,0,0]=3 2133 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,1,0,0,0,0|1,0,1]=4 2134 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,1,0,0,0,0|1,0,1]=4 2135 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,1,0,0,0,0|1,0,1]=4 2136 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,1,0,0,0,0|2,0,0]=4 2137 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,1,0,0,0,0|2,0,0]=4 2138 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,1,0,0,0,0|1,0,1]=4 2139 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,1,0,0,0,0|1,0,1]=4 2140 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,1,0,0,0,0|1,0,1]=4 2141 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,1,0,0,0,0|1,0,1]=4 2142 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,1,0,0,0,0|2,0,0]=4 2143 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,1,0,0,0,0|2,0,0]=4 2144 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,1,0,0,0,0|2,0,0]=4 2145 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,1,0,0,0,0|2,0,0]=4 2146 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,1,0,0,0,0|1,0,0]=3 2147 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,1,0,0,0,0|1,0,0]=3 2148 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,1,0,0,0,0|2,0,0]=4 2149 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,1,0,0,0,0|2,0,0]=4 2150 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,1,0,0,0,0|2,0,0]=4 2151 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,1,0,0,0,0|2,0,0]=4 2152 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,1,0,0,0,0|1,0,1]=4 2153 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,1,0,0,0,0|1,0,1]=4 2154 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,1,0,0,0,0|1,0,1]=4 2155 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,1,0,0,0,0|1,0,1]=4 2156 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,1,0,0,0,0|1,0,1]=4 2157 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,1,0,0,0,0|1,0,1]=4 2158 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,1,0,0,0,0|1,0,1]=4 2159 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,1,0,0,0,0|1,0,1]=4 2160 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,1,0,0,0,0|1,0,1]=4 2161 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,1,0,0,0,0|1,0,0]=3 2162 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,1,0,0,0,0|1,0,0]=3 2163 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,1,0,0,0,0|1,0,0]=3 2164 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,1,0,0,0,0|1,0,0]=3 2165 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,1,0,0,0,0|1,0,0]=3 2166 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,1,0,0,0,0|0,0,0]=2 2167 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,1,0,0,0,0|1,0,1]=4 2168 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,1,0,0,0,0|0,0,1]=3 2169 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,1,0,0,0,0|1,0,1]=4 2170 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,1,0,0,0,0|0,0,1]=3 2171 B6R0.5 C=CCC(C)(C)C MCULE-1992751113 [1,1,0,0,0,0|2,0,0]=4 2172 B6R0.5 C=CCC(C)(C)N MCULE-5186161263 [1,1,0,0,0,0|2,0,0]=4 2173 B6R0.5 C=CCC(C)(C)N MCULE-6288336754 [1,1,0,0,0,0|2,0,0]=4 2174 B6R0.5 C=CCC(C)(C)O MCULE-3560651758 [1,1,0,0,0,0|2,0,0]=4 2175 B6R0.5 C=CC[N+](C)(C)C MCULE-5418366165 [1,1,0,0,0,0|1,0,1]=4 2176 B6R0.5 C=CC[N+](C)(C)C MCULE-8037238801 [1,1,0,0,0,0|1,0,1]=4 2177 B6R0.5 C=CC[Si](C)(C)C MCULE-5031938571 [1,1,0,0,0,0|2,0,0]=4 2178 B6R0.5 C=CC[Si](C)(C)Cl MCULE-1810628320 [1,1,0,0,0,0|2,0,0]=4 2179 B6R0.5 C=CC[Sn](C)(C)C MCULE-7062318521 [1,1,0,0,0,0|2,0,0]=4 2180 B6R0.5 CC(C)(C)CC=O MCULE-6726853595 [1,1,0,0,0,0|1,0,0]=3 2181 B6R0.5 CC(C)(C)CCO MCULE-3121776589 [1,1,0,0,0,0|1,0,1]=4 2182 B6R0.5 CC(C)(C)NC=O MCULE-4474324800 [1,1,0,0,0,0|2,0,0]=4 2183 B6R0.5 CC(C)(C)OC=O MCULE-3317941666 [1,1,0,0,0,0|2,0,0]=4 2184 B6R0.5 CC(C)(F)CCO MCULE-7157649991 [1,1,0,0,0,0|1,0,1]=4 2185 B6R0.5 CC(C)(I)CCO MCULE-2114317591 [1,1,0,0,0,0|1,0,1]=4 2186 B6R0.5 CC(C)(N)CCO MCULE-2300724181 [1,1,0,0,0,0|1,0,1]=4 2187 B6R0.5 CC(C)(N)CCO MCULE-7470688556 [1,1,0,0,0,0|1,0,1]=4 2188 B6R0.5 CC(C)(O)CCO MCULE-4723950851 [1,1,0,0,0,0|1,0,1]=4 2189 B6R0.5 CC(C)(S)CCO MCULE-6218278668 [1,1,0,0,0,0|1,0,1]=4 2190 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [1,1,0,0,0,0|2,0,0]=4 2191 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [1,1,0,0,0,0|2,0,0]=4 2192 B6R0.5 CNCC(C)(C)O MCULE-8014545354 [1,1,0,0,0,0|1,0,1]=4 2193 B6R0.5 CNCC(C)(C)O MCULE-8693265107 [1,1,0,0,0,0|1,0,1]=4 2194 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [1,1,0,0,0,0|1,0,0]=3 2195 B6R0.5 C[N+](C)(C)CC=O MCULE-1973623516 [1,1,0,0,0,0|0,0,1]=3 2196 B6R0.5 C[N+](C)(C)CC=O MCULE-6964542865 [1,1,0,0,0,0|0,0,1]=3 2197 B6R0.5 C[N+](C)(C)CCO MCULE-3010919014 [1,1,0,0,0,0|0,0,2]=4 2198 B6R0.5 C[N+](C)(C)CCO MCULE-3528185452 [1,1,0,0,0,0|0,0,2]=4 2199 B6R0.5 C[N+](C)(C)CCO MCULE-4172409716 [1,1,0,0,0,0|0,0,2]=4 2200 B6R0.5 C[N+](C)(C)CCO MCULE-7472714268 [1,1,0,0,0,0|0,0,2]=4 2201 B6R0.5 C[N+](C)(C)CCO MCULE-7712564949 [1,1,0,0,0,0|0,0,2]=4 2202 B6R0.5 C[N+](C)(C)CCO MCULE-7734259295 [1,1,0,0,0,0|0,0,2]=4 2203 B6R0.5 C[N+](C)(C)CCO MCULE-8298385594 [1,1,0,0,0,0|0,0,2]=4 2204 B6R0.5 C[Si](C)(C)CCO MCULE-3912098564 [1,1,0,0,0,0|1,0,1]=4 2205 B6R0.7 CC(=O)C(C)(C)Br MCULE-2211649171 [0,1,0,0,1,0|2,0,0]=4 2206 B6R0.7 CC(=O)C(C)(C)C MCULE-9731323161 [0,1,0,0,1,0|2,0,0]=4 2207 B6R0.7 CC(=O)C(C)(C)Cl MCULE-3074145802 [0,1,0,0,1,0|2,0,0]=4 2208 B6R0.7 CC(=O)C(C)(C)N MCULE-8236547032 [0,1,0,0,1,0|2,0,0]=4 2209 B6R0.7 CC(=O)C(C)(C)N MCULE-9736681939 [0,1,0,0,1,0|2,0,0]=4 2210 B6R0.7 CC(=O)C(C)(C)O MCULE-1535627387 [0,1,0,0,1,0|2,0,0]=4 2211 B6R0.7 CC(=O)[Si](C)(C)C MCULE-2207276552 [0,1,0,0,1,0|2,0,0]=4 2212 B6R0.7 CC(Br)(Br)C(=O)O MCULE-1654765678 [0,1,0,0,1,0|2,0,0]=4 2213 B6R0.7 CC(C)(Br)C(=O)Br MCULE-3927664220 [0,1,0,0,1,0|2,0,0]=4 2214 B6R0.7 CC(C)(Br)C(=O)Cl MCULE-4186209269 [0,1,0,0,1,0|2,0,0]=4 2215 B6R0.7 CC(C)(Br)C(=O)N MCULE-9238574572 [0,1,0,0,1,0|2,0,0]=4 2216 B6R0.7 CC(C)(Br)C(=O)O MCULE-9443967216 [0,1,0,0,1,0|1,0,0]=3 2217 B6R0.7 CC(C)(C)C(=O)Cl MCULE-2528821101 [0,1,0,0,1,0|2,0,0]=4 2218 B6R0.7 CC(C)(C)C(=O)N MCULE-1267347906 [0,1,0,0,1,0|2,0,0]=4 2219 B6R0.7 CC(C)(C)C(=O)O MCULE-7166067227 [0,1,0,0,1,0|1,0,0]=3 2220 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-3836080044 [0,1,0,0,1,0|1,0,1]=4 2221 B6R0.7 CC(C)(C)C(=O)[O-] MCULE-4231941340 [0,1,0,0,1,0|1,0,1]=4 2222 B6R0.7 CC(C)(C)S(=O)O MCULE-4329334255 [0,1,0,0,1,0|2,0,0]=4 2223 B6R0.7 CC(C)(Cl)C(=O)Cl MCULE-1923898716 [0,1,0,0,1,0|2,0,0]=4 2224 B6R0.7 CC(C)(Cl)C(=O)O MCULE-4744644193 [0,1,0,0,1,0|1,0,0]=3 2225 B6R0.7 CC(C)(F)C(=O)Cl MCULE-5874577670 [0,1,0,0,1,0|2,0,0]=4 2226 B6R0.7 CC(C)(F)C(=O)N MCULE-7528431736 [0,1,0,0,1,0|2,0,0]=4 2227 B6R0.7 CC(C)(F)C(=O)O MCULE-9323110637 [0,1,0,0,1,0|1,0,0]=3 2228 B6R0.7 CC(C)(N)C(=O)Cl MCULE-1303488979 [0,1,0,0,1,0|2,0,0]=4 2229 B6R0.7 CC(C)(N)C(=O)N MCULE-4893991321 [0,1,0,0,1,0|2,0,0]=4 2230 B6R0.7 CC(C)(N)C(=O)N MCULE-7819904882 [0,1,0,0,1,0|2,0,0]=4 2231 B6R0.7 CC(C)(N)C(=O)O MCULE-4254251799 [0,1,0,0,1,0|1,0,0]=3 2232 B6R0.7 CC(C)(N)C(=O)O MCULE-6175880842 [0,1,0,0,1,0|1,0,0]=3 2233 B6R0.7 CC(C)(O)C(=O)N MCULE-9151369011 [0,1,0,0,1,0|2,0,0]=4 2234 B6R0.7 CC(C)(O)C(=O)O MCULE-4093617756 [0,1,0,0,1,0|1,0,0]=3 2235 B6R0.7 CC(C)(S)C(=O)O MCULE-1863706684 [0,1,0,0,1,0|1,0,0]=3 2236 B6R0.7 CC(C)P(=O)(O)O MCULE-4572861400 [0,1,0,0,1,0|2,0,0]=4 2237 B6R0.7 CC(C)S(=O)(=O)O MCULE-2568394676 [0,1,0,0,1,0|2,0,0]=4 2238 B6R0.7 CC(Cl)(Cl)C(=O)O MCULE-8201912740 [0,1,0,0,1,0|2,0,0]=4 2239 B6R0.7 CC(F)(Br)C(=O)O MCULE-5584369540 [0,1,0,0,1,0|2,0,0]=4 2240 B6R0.7 CC(F)(F)C(=O)O MCULE-3936632737 [0,1,0,0,1,0|2,0,0]=4 2241 B6R0.7 CN(C)P(=O)(Cl)Cl MCULE-2578512938 [0,1,0,0,1,0|2,0,0]=4 2242 B6R0.7 CN(C)S(=N)(=O)C MCULE-3004118171 [0,1,0,0,1,0|2,0,0]=4 2243 B6R0.7 CN(C)S(=N)(=O)C MCULE-5099537454 [0,1,0,0,1,0|2,0,0]=4 2244 B6R0.7 CN(C)S(=O)(=O)C MCULE-9347739958 [0,1,0,0,1,0|1,0,1]=4 2245 B6R0.7 CN(C)S(=O)(=O)Cl MCULE-6441339083 [0,1,0,0,1,0|1,0,1]=4 2246 B6R0.7 CN(C)S(=O)(=O)F MCULE-7408393540 [0,1,0,0,1,0|1,0,1]=4 2247 B6R0.7 CN(C)S(=O)(=O)N MCULE-5196865280 [0,1,0,0,1,0|1,0,1]=4 2248 B8R0.9 C/C(=N\O)/CCC(C)C MCULE-6160318624 [0,1,0,0,0,1|2,0,0]=4 2249 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,1,0,0,0,1|1,0,1]=4 2250 B8R0.9 C=CC(=O)OCC(C)C MCULE-9738172155 [0,1,0,0,0,1|2,0,0]=4 2251 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,1,0,0,0,1|2,0,0]=4 2252 B8R0.9 CC(=NO)CCC(C)C MCULE-1275882348 [0,1,0,0,0,1|2,0,0]=4 2253 B8R0.9 CC(=O)CCN(C)N=O MCULE-9992314796 [0,1,0,0,0,1|2,0,0]=4 2254 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,1,0,0,0,1|2,0,0]=4 2255 B8R0.9 CC(=O)OCC(C)CBr MCULE-5776578434 [0,1,0,0,0,1|2,0,0]=4 2256 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,1,0,0,0,1|2,0,0]=4 2257 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,1,0,0,0,1|2,0,0]=4 2258 B8R0.9 CC(=O)SCC(C)CCl MCULE-2266172098 [0,1,0,0,0,1|2,0,0]=4 2259 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,1,0,0,0,1|1,0,1]=4 2260 B8R0.9 CC(C)CC/C(=N/O)/N MCULE-5971141379 [0,1,0,0,0,1|2,0,0]=4 2261 B8R0.9 CC(C)CCC(=O)CCl MCULE-7122163926 [0,1,0,0,0,1|2,0,0]=4 2262 B8R0.9 CC(C)CCC(=O)CN MCULE-2601333978 [0,1,0,0,0,1|2,0,0]=4 2263 B8R0.9 CC(C)CCC(=O)CN MCULE-9600279855 [0,1,0,0,0,1|2,0,0]=4 2264 B8R0.9 CC(C)CNC(=O)CBr MCULE-8912739616 [0,1,0,0,0,1|2,0,0]=4 2265 B8R0.9 CC(C)CNC(=O)CCl MCULE-6480983342 [0,1,0,0,0,1|2,0,0]=4 2266 B8R0.9 CC(C)CNC(=O)CN MCULE-3593523223 [0,1,0,0,0,1|2,0,0]=4 2267 B8R0.9 CC(C)CNC(=O)CN MCULE-9338504001 [0,1,0,0,0,1|2,0,0]=4 2268 B8R0.9 CC(C)COC(=O)CBr MCULE-3596274514 [0,1,0,0,0,1|2,0,0]=4 2269 B8R0.9 CC(C)COC(=O)CCl MCULE-8531893041 [0,1,0,0,0,1|2,0,0]=4 2270 B8R0.9 CC(C)COC(=O)CS MCULE-6380142851 [0,1,0,0,0,1|1,1,0]=4 2271 B8R0.9 CC(C)OC/C(=N/O)/N MCULE-2973132767 [0,1,0,0,0,1|2,0,0]=4 2272 B8R0.9 CC(C)OCC(=O)NN MCULE-1756553014 [0,1,0,0,0,1|2,0,0]=4 2273 B8R0.9 CC(C)OCC(=O)NN MCULE-4596563241 [0,1,0,0,0,1|2,0,0]=4 2274 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,1,0,0,0,1|2,0,0]=4 2275 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,1,0,0,0,1|1,0,1]=4 2276 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,1,0,0,0,1|1,0,0]=3 2277 B8R0.9 CCC(=O)C=CN(C)C MCULE-3652464392 [0,1,0,0,0,1|1,0,1]=4 2278 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,1,0,0,0,1|2,0,0]=4 2279 B8R0.9 CCC(=O)CCC(C)C MCULE-3065298823 [0,1,0,0,0,1|2,0,0]=4 2280 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,1,0,0,0,1|2,0,0]=4 2281 B8R0.9 CCC(=O)NCC(C)C MCULE-3079187120 [0,1,0,0,0,1|2,0,0]=4 2282 B8R0.9 CCC(=O)OCC(C)C MCULE-4196106578 [0,1,0,0,0,1|2,0,0]=4 2283 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,1,0,0,0,1|2,0,0]=4 2284 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,1,0,0,0,1|1,0,0]=3 2285 B8R0.9 CCC(C)COC(=O)C MCULE-1846190306 [0,1,0,0,0,1|2,0,0]=4 2286 B8R0.9 CCC(C)COC(=O)Cl MCULE-7986633908 [0,1,0,0,0,1|2,0,0]=4 2287 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,1,0,0,0,1|1,0,0]=3 2288 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,1,0,0,0,1|1,0,0]=3 2289 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,1,0,0,0,1|1,0,0]=3 2290 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,1,0,0,0,1|2,0,0]=4 2291 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,1,0,0,0,1|2,0,0]=4 2292 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,1,0,0,0,1|2,0,0]=4 2293 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,1,0,0,0,1|0,0,0]=2 2294 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,1,0,0,0,1|0,0,0]=2 2295 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,1,0,0,0,1|2,0,0]=4 2296 B8R0.9 CN(C)CCC(=N)NO MCULE-1944835368 [0,1,0,0,0,1|1,0,0]=3 2297 B8R0.9 CN(C)CCC(=O)NN MCULE-5716266931 [0,1,0,0,0,1|1,0,0]=3 2298 B8R0.9 CN(C)CCN(C)C=O MCULE-3548074867 [0,1,0,0,0,1|2,0,0]=4 2299 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,1,0,0,0,1|2,0,0]=4 2300 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,1,0,0,0,1|2,0,0]=4 2301 B8R0.9 COC(=O)/C=C/C(C)C MCULE-3160224452 [0,1,0,0,0,1|1,0,1]=4 2302 B8R0.9 COC(=O)/C=C/N(C)C MCULE-2402483726 [0,1,0,0,0,1|0,0,1]=3 2303 B8R0.9 COC(=O)/N=C/N(C)C MCULE-3421193223 [0,1,0,0,0,1|0,0,1]=3 2304 B8R0.9 COC(=O)C=CC(C)C MCULE-8333658639 [0,1,0,0,0,1|1,0,1]=4 2305 B8R0.9 COC(=O)CCC(=O)C MCULE-6324755148 [0,1,0,0,0,1|2,0,0]=4 2306 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,1,0,0,0,1|2,0,0]=4 2307 B8R0.9 COC(=O)CCN(C)C MCULE-5967397518 [0,1,0,0,0,1|0,0,0]=2 2308 B8R0.9 COC(=O)CNC(=O)C MCULE-3795072377 [0,1,0,0,0,1|2,0,0]=4 2309 B8R0.9 COC(=O)CNC(C)C MCULE-7232154394 [0,1,0,0,0,1|1,0,0]=3 2310 B8R0.9 COC(=O)COC(C)C MCULE-8327092817 [0,1,0,0,0,1|1,0,0]=3 2311 B8R0.9 COC(=O)CSC(C)C MCULE-9054714022 [0,1,0,0,0,1|1,0,0]=3 2312 B8R0.9 COC(=O)N=CN(C)C MCULE-5824976694 [0,1,0,0,0,1|0,0,1]=3 2313 B8R0.9 COC(=O)NCC(=O)C MCULE-1043877696 [0,1,0,0,0,1|2,0,0]=4 2314 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,1,0,0,0,1|2,0,0]=4 2315 B8R0.9 COC(=O)NCC(C)O MCULE-3862167665 [0,1,0,0,0,1|2,0,0]=4 2316 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,1,0,0,0,1|1,0,0]=3 2317 B8R0.9 COC(C)COC(=O)C MCULE-7948047479 [0,1,0,0,0,1|2,0,0]=4 2318 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,1,0,0,0,1|1,0,0]=3 2319 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,1,0,0,0,1|2,0,0]=4 2320 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,1,0,0,0,1|2,0,0]=4 2321 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,1,0,0,0,1|2,0,0]=4 2322 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,1,0,0,0,1|2,0,0]=4 2323 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,1,0,0,0,1|2,0,0]=4 2324 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,1,0,0,0,1|2,0,0]=4 2325 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,1,0,0,0,1|2,0,0]=4 2326 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,1,0,0,0,1|2,0,0]=4 2327 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,1,0,0,0,1|2,0,0]=4 2328 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,1,0,0,0,1|2,0,0]=4 2329 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,1,0,0,0,1|2,0,0]=4 2330 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,1,0,0,0,1|1,1,0]=4 2331 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,1,0,0,0,1|2,0,0]=4 2332 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,1,0,0,0,1|2,0,0]=4 2333 B8R0.23 C(N)(CC(C)C)C(=O)O MCULE-7664540924 [0,1,0,0,0,1|1,0,0]=3 2334 B8R0.23 C(N)(CS(=O)C)C(=O)O MCULE-3320985154 [0,1,0,0,0,1|2,0,0]=4 2335 B8R0.23 C/C(=C\C(C)C)/C(=O)O MCULE-7989780609 [0,1,0,0,0,1|1,0,1]=4 2336 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,1|1,0,1]=4 2337 B8R0.23 C=C(C)CC(C)C(=O)O MCULE-7268483710 [0,1,0,0,0,1|1,0,1]=4 2338 B8R0.23 C=C(C)CC(N)C(=O)O MCULE-5915882776 [0,1,0,0,0,1|1,0,1]=4 2339 B8R0.23 C=C(C)C[C@@H](N)C(=O)O MCULE-2841714882 [0,1,0,0,0,1|1,0,1]=4 2340 B8R0.23 C=C(C)C[C@H](C)C(=O)O MCULE-9053114079 [0,1,0,0,0,1|1,0,1]=4 2341 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-1029058491 [0,1,0,0,0,1|1,0,1]=4 2342 B8R0.23 C=C(C)C[C@H](N)C(=O)O MCULE-6974720260 [0,1,0,0,0,1|1,0,1]=4 2343 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,1|1,0,1]=4 2344 B8R0.23 C=C(CC(C)C)C(=O)C MCULE-3118173847 [0,1,0,0,0,1|2,0,0]=4 2345 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [0,1,0,0,0,1|1,0,0]=3 2346 B8R0.23 C=C(CN(C)C)C(=O)O MCULE-9526642183 [0,1,0,0,0,1|0,0,0]=2 2347 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [0,1,0,0,0,1|1,0,1]=4 2348 B8R0.23 CC(=O)/C=C(\C)/N(C)C MCULE-5858591753 [0,1,0,0,0,1|1,0,1]=4 2349 B8R0.23 CC(=O)C(=CN(C)C)C MCULE-4886707148 [0,1,0,0,0,1|1,0,1]=4 2350 B8R0.23 CC(=O)C(=O)CC(C)C MCULE-9490612135 [0,1,0,0,0,1|2,0,0]=4 2351 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,1|2,0,0]=4 2352 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [0,1,0,0,0,1|2,0,0]=4 2353 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,1|2,0,0]=4 2354 B8R0.23 CC(=O)C(N)CC(C)C MCULE-2548441556 [0,1,0,0,0,1|2,0,0]=4 2355 B8R0.23 CC(=O)C=C(C)N(C)C MCULE-6217682800 [0,1,0,0,0,1|1,0,1]=4 2356 B8R0.23 CC(=O)CC(=O)C(C)C MCULE-9885161576 [0,1,0,0,0,1|2,0,0]=4 2357 B8R0.23 CC(=O)CC(=O)N(C)C MCULE-7573334456 [0,1,0,0,0,1|1,0,0]=3 2358 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,1|2,0,0]=4 2359 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6275652695 [0,1,0,0,0,1|2,0,0]=4 2360 B8R0.23 CC(=O)CC(N)C(=O)O MCULE-6690241894 [0,1,0,0,0,1|2,0,0]=4 2361 B8R0.23 CC(=O)CC(O)C(=O)O MCULE-4728629069 [0,1,0,0,0,1|2,0,0]=4 2362 B8R0.23 CC(=O)CN(C)C(C)C MCULE-2905536744 [0,1,0,0,0,1|2,0,0]=4 2363 B8R0.23 CC(=O)CN(C)C(C)C MCULE-7902012708 [0,1,0,0,0,1|2,0,0]=4 2364 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,1|2,0,0]=4 2365 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-1209958700 [0,1,0,0,0,1|2,0,0]=4 2366 B8R0.23 CC(=O)NC(C)C(=O)O MCULE-6844686208 [0,1,0,0,0,1|2,0,0]=4 2367 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-7453059048 [0,1,0,0,0,1|2,0,0]=4 2368 B8R0.23 CC(=O)N[C@@H](C)C(=O)O MCULE-9637570463 [0,1,0,0,0,1|2,0,0]=4 2369 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-1908712348 [0,1,0,0,0,1|2,0,0]=4 2370 B8R0.23 CC(=O)N[C@H](C)C(=O)O MCULE-3023888296 [0,1,0,0,0,1|2,0,0]=4 2371 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-6745958064 [0,1,0,0,0,1|2,0,0]=4 2372 B8R0.23 CC(=O)OC(C)C(=O)O MCULE-8940501529 [0,1,0,0,0,1|2,0,0]=4 2373 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-7850132202 [0,1,0,0,0,1|2,0,0]=4 2374 B8R0.23 CC(=O)O[C@@H](C)C(=O)O MCULE-9087871033 [0,1,0,0,0,1|2,0,0]=4 2375 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-3788243723 [0,1,0,0,0,1|2,0,0]=4 2376 B8R0.23 CC(=O)O[C@H](C)C(=O)O MCULE-8696299139 [0,1,0,0,0,1|2,0,0]=4 2377 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,1,0,0,0,1|1,0,0]=3 2378 B8R0.23 CC(C)C(=O)CC(=O)[O-] MCULE-3398588107 [0,1,0,0,0,1|1,0,1]=4 2379 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,1,0,0,0,1|1,0,0]=3 2380 B8R0.23 CC(C)C(Cl)OC(=O)Cl MCULE-5733683700 [0,1,0,0,0,1|2,0,0]=4 2381 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,1|1,0,0]=3 2382 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,1|1,0,0]=3 2383 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,1|1,0,0]=3 2384 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,1|1,0,0]=3 2385 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,1|1,0,0]=3 2386 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,1,0,0,0,1|1,0,0]=3 2387 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-1379368650 [0,1,0,0,0,1|1,0,1]=4 2388 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-8698784345 [0,1,0,0,0,1|1,0,1]=4 2389 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-2778142655 [0,1,0,0,0,1|1,0,0]=3 2390 B8R0.23 CC(C)CC(Br)C(=O)O MCULE-7689846956 [0,1,0,0,0,1|1,0,0]=3 2391 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,1,0,0,0,1|1,0,0]=3 2392 B8R0.23 CC(C)CC(Cl)C(=O)O MCULE-6347367806 [0,1,0,0,0,1|1,0,0]=3 2393 B8R0.23 CC(C)CC(F)C(=O)O MCULE-6908911956 [0,1,0,0,0,1|1,0,0]=3 2394 B8R0.23 CC(C)CC(N)C(=O)N MCULE-8974870406 [0,1,0,0,0,1|2,0,0]=4 2395 B8R0.23 CC(C)CC(N)C(=O)N MCULE-9193295179 [0,1,0,0,0,1|2,0,0]=4 2396 B8R0.23 CC(C)CC(N)C(=O)O MCULE-2550986320 [0,1,0,0,0,1|1,0,0]=3 2397 B8R0.23 CC(C)CC(N)C(=O)O MCULE-7657212416 [0,1,0,0,0,1|1,0,0]=3 2398 B8R0.23 CC(C)CC(O)C(=O)O MCULE-3638762911 [0,1,0,0,0,1|1,0,0]=3 2399 B8R0.23 CC(C)CC(O)C(=O)O MCULE-4315013875 [0,1,0,0,0,1|1,0,0]=3 2400 B8R0.23 CC(C)CN(C)C(=O)Cl MCULE-8402254804 [0,1,0,0,0,1|2,0,0]=4 2401 B8R0.23 CC(C)C[C@@H](Br)C(=O)O MCULE-2325122781 [0,1,0,0,0,1|1,0,0]=3 2402 B8R0.23 CC(C)C[C@@H](Cl)C(=O)O MCULE-6797937420 [0,1,0,0,0,1|1,0,0]=3 2403 B8R0.23 CC(C)C[C@@H](N)C(=O)N MCULE-6195005494 [0,1,0,0,0,1|2,0,0]=4 2404 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-3041792060 [0,1,0,0,0,1|1,0,0]=3 2405 B8R0.23 CC(C)C[C@@H](N)C(=O)O MCULE-8280206722 [0,1,0,0,0,1|1,0,0]=3 2406 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-4108530385 [0,1,0,0,0,1|1,0,0]=3 2407 B8R0.23 CC(C)C[C@@H](O)C(=O)O MCULE-5253943571 [0,1,0,0,0,1|1,0,0]=3 2408 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-4423121396 [0,1,0,0,0,1|1,0,0]=3 2409 B8R0.23 CC(C)C[C@H](Br)C(=O)O MCULE-7601821889 [0,1,0,0,0,1|1,0,0]=3 2410 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-1038344796 [0,1,0,0,0,1|1,0,0]=3 2411 B8R0.23 CC(C)C[C@H](Cl)C(=O)O MCULE-9007168250 [0,1,0,0,0,1|1,0,0]=3 2412 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-3907393760 [0,1,0,0,0,1|2,0,0]=4 2413 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-5393472198 [0,1,0,0,0,1|2,0,0]=4 2414 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-7425207205 [0,1,0,0,0,1|2,0,0]=4 2415 B8R0.23 CC(C)C[C@H](N)C(=O)N MCULE-8093463847 [0,1,0,0,0,1|2,0,0]=4 2416 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4718215038 [0,1,0,0,0,1|1,0,0]=3 2417 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-4930237913 [0,1,0,0,0,1|1,0,0]=3 2418 B8R0.23 CC(C)C[C@H](N)C(=O)O MCULE-8722899457 [0,1,0,0,0,1|1,0,0]=3 2419 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-1740362996 [0,1,0,0,0,1|1,0,0]=3 2420 B8R0.23 CC(C)C[C@H](O)C(=O)O MCULE-4466965907 [0,1,0,0,0,1|1,0,0]=3 2421 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,1,0,0,0,1|1,0,0]=3 2422 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,1,0,0,0,1|1,0,0]=3 2423 B8R0.23 CC(C)NC(=O)C(=O)O MCULE-3351257571 [0,1,0,0,0,1|1,0,1]=4 2424 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,1,0,0,0,1|1,0,0]=3 2425 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,1,0,0,0,1|1,0,0]=3 2426 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,1,0,0,0,1|1,0,0]=3 2427 B8R0.23 CC(C)OC(C)C(=O)[O-] MCULE-2169564496 [0,1,0,0,0,1|1,0,1]=4 2428 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,1,0,0,0,1|1,0,0]=3 2429 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,1|1,0,0]=3 2430 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,1|1,0,0]=3 2431 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,1|1,0,0]=3 2432 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,1|1,0,0]=3 2433 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,1|1,0,0]=3 2434 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,1|1,0,0]=3 2435 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,1|1,0,0]=3 2436 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,1|1,0,0]=3 2437 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,1|1,0,0]=3 2438 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,1,0,0,0,1|0,0,0]=2 2439 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,1,0,0,0,1|0,0,0]=2 2440 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7139783268 [0,1,0,0,0,1|0,0,0]=2 2441 B8R0.23 CC(CN(C)C)C(=O)O MCULE-7716649676 [0,1,0,0,0,1|0,0,0]=2 2442 B8R0.23 CC(CN(C)C)N(=O)=O MCULE-6268138664 [0,1,0,0,0,1|1,0,1]=4 2443 B8R0.23 CC(CN(C)C)N(=O)=O MCULE-7752766432 [0,1,0,0,0,1|1,0,1]=4 2444 B8R0.23 CC(CS(=O)C)C(=O)O MCULE-4855592077 [0,1,0,0,0,1|2,0,0]=4 2445 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,1|2,0,0]=4 2446 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,1|2,0,0]=4 2447 B8R0.23 CN(C)C(=O)CC(=O)N MCULE-1957054841 [0,1,0,0,0,1|1,0,0]=3 2448 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,1,0,0,0,1|0,0,0]=2 2449 B8R0.23 CN(C)CC(=O)N(C)O MCULE-4554994791 [0,1,0,0,0,1|2,0,0]=4 2450 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4589211472 [0,1,0,0,0,1|0,0,0]=2 2451 B8R0.23 CN(C)CC(N)C(=O)O MCULE-4873136690 [0,1,0,0,0,1|0,0,0]=2 2452 B8R0.23 CN(C)CC(O)C(=O)O MCULE-2461037518 [0,1,0,0,0,1|0,0,0]=2 2453 B8R0.23 CN(C)C[C@@H](N)C(=O)O MCULE-7056570231 [0,1,0,0,0,1|0,0,0]=2 2454 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-1155351106 [0,1,0,0,0,1|0,0,0]=2 2455 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-2217543416 [0,1,0,0,0,1|0,0,0]=2 2456 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-6989814495 [0,1,0,0,0,1|0,0,0]=2 2457 B8R0.23 CN(C)C[C@H](N)C(=O)O MCULE-7529109312 [0,1,0,0,0,1|0,0,0]=2 2458 B8R0.23 CN(C)C[C@H](O)C(=O)O MCULE-7629489364 [0,1,0,0,0,1|0,0,0]=2 2459 B8R0.23 CS(=O)CC(N)C(=O)O MCULE-5699602621 [0,1,0,0,0,1|2,0,0]=4 2460 B8R0.23 CS(=O)C[C@@H](N)C(=O)O MCULE-8253087333 [0,1,0,0,0,1|2,0,0]=4 2461 B8R0.23 CS(=O)C[C@H](N)C(=O)O MCULE-5080098254 [0,1,0,0,0,1|2,0,0]=4 2462 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,1,0,0,0,1|0,0,0]=2 2463 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,1|2,0,0]=4 2464 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,1|2,0,0]=4 2465 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,1|2,0,0]=4 2466 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,1|2,0,0]=4 2467 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,1|2,0,0]=4 2468 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,1|2,0,0]=4 2469 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,1,0,0,0,1|0,0,0]=2 2470 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5195061270 [0,1,0,0,0,1|2,0,0]=4 2471 B8R0.23 C[C@H](Cl)C[C@H](N)C(=O)O MCULE-5975065356 [0,1,0,0,0,1|2,0,0]=4 2472 B8R0.23 C[C@H](O)CC(=O)N(C)C MCULE-1249894790 [0,1,0,0,0,1|1,0,1]=4 2473 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,1|2,0,0]=4 2474 B8R0.23 C[S@](=O)C[C@@H](N)C(=O)O MCULE-4004385080 [0,1,0,0,0,1|2,0,0]=4 2475 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-4796212792 [0,1,0,0,0,1|2,0,0]=4 2476 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-7620299780 [0,1,0,0,0,1|2,0,0]=4 2477 B8R0.23 [C@@H](N)(CC(C)C)C(=O)N MCULE-8990653324 [0,1,0,0,0,1|2,0,0]=4 2478 B8R0.23 [C@H](N)(CS(=O)C)C(=O)O MCULE-5084638505 [0,1,0,0,0,1|2,0,0]=4 2479 B8R0.29 CC(=O)CCC(C)(C)C MCULE-2192082949 [0,1,0,0,0,1|2,0,0]=4 2480 B8R0.29 CC(=O)CCC(C)(C)O MCULE-8412947781 [0,1,0,0,0,1|2,0,0]=4 2481 B8R0.29 CC(=O)CNC(C)(C)C MCULE-4059953007 [0,1,0,0,0,1|2,0,0]=4 2482 B8R0.29 CC(=O)CNC(C)(C)C MCULE-9982398249 [0,1,0,0,0,1|2,0,0]=4 2483 B8R0.29 CC(=O)COC(C)(C)C MCULE-1842651618 [0,1,0,0,0,1|2,0,0]=4 2484 B8R0.29 CC(=O)CSC(C)(C)C MCULE-8055514434 [0,1,0,0,0,1|2,0,0]=4 2485 B8R0.29 CC(=O)OC[Si](C)(C)C MCULE-2980282217 [0,1,0,0,0,1|2,0,0]=4 2486 B8R0.29 CC(C)(C)/C=C/C(=O)O MCULE-8309589516 [0,1,0,0,0,1|1,0,1]=4 2487 B8R0.29 CC(C)(C)C#CC(=O)O MCULE-1871829267 [0,1,0,0,0,1|1,0,1]=4 2488 B8R0.29 CC(C)(C)C=CC(=O)O MCULE-1811374550 [0,1,0,0,0,1|1,0,1]=4 2489 B8R0.29 CC(C)(C)CCC(=O)O MCULE-8929874481 [0,1,0,0,0,1|1,0,0]=3 2490 B8R0.29 CC(C)(C)CNC(=O)N MCULE-1062244536 [0,1,0,0,0,1|2,0,0]=4 2491 B8R0.29 CC(C)(C)COC(=O)Cl MCULE-8215596189 [0,1,0,0,0,1|2,0,0]=4 2492 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-4182814399 [0,1,0,0,0,1|2,0,0]=4 2493 B8R0.29 CC(C)(C)NCC(=O)Cl MCULE-5526530619 [0,1,0,0,0,1|2,0,0]=4 2494 B8R0.29 CC(C)(C)NCC(=O)N MCULE-8082980934 [0,1,0,0,0,1|2,0,0]=4 2495 B8R0.29 CC(C)(C)NCC(=O)O MCULE-1149308055 [0,1,0,0,0,1|1,0,0]=3 2496 B8R0.29 CC(C)(C)NCC(=O)O MCULE-9781967875 [0,1,0,0,0,1|1,0,0]=3 2497 B8R0.29 CC(C)(C)NCC(=O)[O-] MCULE-2801469302 [0,1,0,0,0,1|1,0,1]=4 2498 B8R0.29 CC(C)(C)OCC(=O)N MCULE-8627839273 [0,1,0,0,0,1|2,0,0]=4 2499 B8R0.29 CC(C)(C)OCC(=O)O MCULE-9634856231 [0,1,0,0,0,1|1,0,0]=3 2500 B8R0.29 CC(C)(C)SCC(=O)O MCULE-3761706328 [0,1,0,0,0,1|1,0,0]=3 2501 B8R0.29 CC(C)(N)CCC(=O)O MCULE-1195501366 [0,1,0,0,0,1|1,0,0]=3 2502 B8R0.29 CC(C)(N)CCC(=O)O MCULE-3901764815 [0,1,0,0,0,1|1,0,0]=3 2503 B8R0.29 CC(C)(N)CNC(=O)N MCULE-6198119290 [0,1,0,0,0,1|2,0,0]=4 2504 B8R0.29 CC(C)(N)CNC(=O)N MCULE-9211662894 [0,1,0,0,0,1|2,0,0]=4 2505 B8R0.29 CC(C)(O)C#CC(=O)O MCULE-8575212028 [0,1,0,0,0,1|1,0,1]=4 2506 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-1599861039 [0,1,0,0,0,1|1,0,1]=4 2507 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-4576125997 [0,1,0,0,0,1|1,0,1]=4 2508 B8R0.29 CC(C)(O)CCC(=O)[O-] MCULE-9770985354 [0,1,0,0,0,1|1,0,1]=4 2509 B8R0.29 CC(C)(S)CCC(=O)O MCULE-7771494478 [0,1,0,0,0,1|1,0,0]=3 2510 B8R0.29 CC(F)(F)CCC(=O)O MCULE-6694097155 [0,1,0,0,0,1|2,0,0]=4 2511 B8R0.29 CN(C)CCC(C)(C)O MCULE-5359938683 [0,1,0,0,0,1|1,0,1]=4 2512 B8R0.29 CN(C)CCS(=O)(=O)C MCULE-2875233604 [0,1,0,0,0,1|1,0,1]=4 2513 B8R0.29 CN(C)CCS(=O)(=O)C MCULE-4864121900 [0,1,0,0,0,1|1,0,1]=4 2514 B8R0.29 CN(C)CCS(=O)(=O)Cl MCULE-3817008940 [0,1,0,0,0,1|1,0,1]=4 2515 B8R0.29 CN(C)CCS(=O)(=O)Cl MCULE-9769568618 [0,1,0,0,0,1|1,0,1]=4 2516 B8R0.29 CN(C)CCS(=O)(=O)N MCULE-6075645794 [0,1,0,0,0,1|1,0,1]=4 2517 B8R0.29 CN(C)CCS(=O)(=O)O MCULE-2605112532 [0,1,0,0,0,1|1,0,0]=3 2518 B8R0.29 CP(=O)(C)CCC(=O)O MCULE-4161237740 [0,1,0,0,0,1|0,1,0]=3 2519 B8R0.29 CP(=O)(O)CCC(=O)O MCULE-7722406670 [0,1,0,0,0,1|1,1,0]=4 2520 B8R0.29 CP(=S)(C)CCC(=O)O MCULE-5422068119 [0,1,0,0,0,1|0,1,0]=3 2521 B8R0.29 CS(=O)(=NCC(=O)O)C MCULE-1962520069 [0,1,0,0,0,1|1,0,0]=3 2522 B8R0.29 CS(=O)(=O)CCC(=O)O MCULE-6100062469 [0,1,0,0,0,1|2,0,0]=4 2523 B8R0.29 CS(=O)(=O)NCC(=O)O MCULE-6239662408 [0,1,0,0,0,1|2,0,0]=4 2524 B8R0.29 CS(=O)(=O)OCC(=O)O MCULE-5511249618 [0,1,0,0,0,1|2,0,0]=4 2525 B8R0.29 C[Si](C)(C)C#CC(=O)O MCULE-2165767664 [0,1,0,0,0,1|1,0,1]=4 2526 B8R0.29 C[Si](C)(C)CCC(=O)O MCULE-7609579135 [0,1,0,0,0,1|1,0,0]=3 2527 B8R0.29 C[Si](C)(C)CCC(=O)[O-] MCULE-2888786921 [0,1,0,0,0,1|1,0,1]=4 2528 B8R0.2 C=C(C(=O)OC)C(C)C MCULE-2572436258 [0,2,0,0,0,0|1,0,1]=4 2529 B8R0.2 C=C(C)C(Cl)C(=O)OC MCULE-1665283862 [0,2,0,0,0,0|1,0,1]=4 2530 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,2,0,0,0,0|1,0,1]=4 2531 B8R0.2 CC(C)C(N)C(=O)NN MCULE-8012264701 [0,2,0,0,0,0|2,0,0]=4 2532 B8R0.2 CC(C)C(N)C(=O)NN MCULE-8846048643 [0,2,0,0,0,0|2,0,0]=4 2533 B8R0.2 CC(C)C(N)C(=O)NO MCULE-1312472877 [0,2,0,0,0,0|1,0,0]=3 2534 B8R0.2 CC(C)C(N)C(=O)NO MCULE-1522587562 [0,2,0,0,0,0|1,0,0]=3 2535 B8R0.2 CC(C)C(O)/C(=N\O)/N MCULE-1823794660 [0,2,0,0,0,0|2,0,0]=4 2536 B8R0.2 CC(C)[C@H](N)C(=O)CCl MCULE-2056415429 [0,2,0,0,0,0|2,0,0]=4 2537 B8R0.2 CC(C)[C@H](N)C(=O)CCl MCULE-2548722350 [0,2,0,0,0,0|2,0,0]=4 2538 B8R0.2 CC(C)[C@H](N)C(=O)CCl MCULE-4998965736 [0,2,0,0,0,0|2,0,0]=4 2539 B8R0.2 CC(C)[C@H](N)C(=O)CCl MCULE-8283580118 [0,2,0,0,0,0|2,0,0]=4 2540 B8R0.2 CC(CO)C(C)N(C)C MCULE-9738578179 [0,2,0,0,0,0|1,0,1]=4 2541 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,2,0,0,0,0|2,0,0]=4 2542 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,2,0,0,0,0|1,0,1]=4 2543 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,2,0,0,0,0|1,0,0]=3 2544 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [0,2,0,0,0,0|2,0,0]=4 2545 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,2,0,0,0,0|1,0,0]=3 2546 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [0,2,0,0,0,0|2,0,0]=4 2547 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [0,2,0,0,0,0|2,0,0]=4 2548 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,2,0,0,0,0|1,0,0]=3 2549 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [0,2,0,0,0,0|2,0,0]=4 2550 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,2,0,0,0,0|1,0,0]=3 2551 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,2,0,0,0,0|2,0,0]=4 2552 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,2,0,0,0,0|2,0,0]=4 2553 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,2,0,0,0,0|2,0,0]=4 2554 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,2,0,0,0,0|0,0,0]=2 2555 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,2,0,0,0,0|0,0,0]=2 2556 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,2,0,0,0,0|1,0,0]=3 2557 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,2,0,0,0,0|1,0,0]=3 2558 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,2,0,0,0,0|1,0,0]=3 2559 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,2,0,0,0,0|1,0,0]=3 2560 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,2,0,0,0,0|1,0,0]=3 2561 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,2,0,0,0,0|2,0,0]=4 2562 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,2,0,0,0,0|2,0,0]=4 2563 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,2,0,0,0,0|2,0,0]=4 2564 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,2,0,0,0,0|2,0,0]=4 2565 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,2,0,0,0,0|1,0,0]=3 2566 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,2,0,0,0,0|1,0,0]=3 2567 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,2,0,0,0,0|1,0,0]=3 2568 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,2,0,0,0,0|1,0,0]=3 2569 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,2,0,0,0,0|1,0,0]=3 2570 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,2,0,0,0,0|1,0,0]=3 2571 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [0,2,0,0,0,0|2,0,0]=4 2572 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [0,2,0,0,0,0|2,0,0]=4 2573 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,2,0,0,0,0|1,0,0]=3 2574 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,2,0,0,0,0|1,0,0]=3 2575 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,2,0,0,0,0|1,0,0]=3 2576 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,2,0,0,0,0|1,0,0]=3 2577 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,2,0,0,0,0|1,0,0]=3 2578 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,2,0,0,0,0|2,0,0]=4 2579 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,2,0,0,0,0|2,0,0]=4 2580 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,2,0,0,0,0|2,0,0]=4 2581 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,2,0,0,0,0|2,0,0]=4 2582 B8R0.2 CN(C)C(=O)/C(=N/O)/N MCULE-3041480828 [0,2,0,0,0,0|1,0,1]=4 2583 B8R0.2 CN(C)N(C)C(=O)C[NH3+] MCULE-1640127289 [0,2,0,0,0,0|2,0,0]=4 2584 B8R0.2 CN(C)N(C)C(=O)C[NH3+] MCULE-1902134992 [0,2,0,0,0,0|2,0,0]=4 2585 B8R0.2 CNC(=O)C(N)C(C)C MCULE-5039980272 [0,2,0,0,0,0|2,0,0]=4 2586 B8R0.2 CNC(=O)C(N)C(C)C MCULE-6250670183 [0,2,0,0,0,0|2,0,0]=4 2587 B8R0.2 CNC(=O)[C@@H](N)C(C)C MCULE-2019787073 [0,2,0,0,0,0|2,0,0]=4 2588 B8R0.2 CNC(=O)[C@@H](N)C(C)C MCULE-4411063508 [0,2,0,0,0,0|2,0,0]=4 2589 B8R0.2 CNC(=O)[C@@H](N)C(C)C MCULE-4541405149 [0,2,0,0,0,0|2,0,0]=4 2590 B8R0.2 CNC(=O)[C@@H](N)C(C)C MCULE-6209151629 [0,2,0,0,0,0|2,0,0]=4 2591 B8R0.2 COC(=O)C(=C(C)C)Br MCULE-8636120575 [0,2,0,0,0,0|1,0,1]=4 2592 B8R0.2 COC(=O)C(=O)C(C)C MCULE-5411002089 [0,2,0,0,0,0|1,0,1]=4 2593 B8R0.2 COC(=O)C(=O)N(C)C MCULE-3358727731 [0,2,0,0,0,0|0,0,1]=3 2594 B8R0.2 COC(=O)C(Br)C(=O)C MCULE-4571030586 [0,2,0,0,0,0|2,0,0]=4 2595 B8R0.2 COC(=O)C(Br)C(C)Br MCULE-1209772107 [0,2,0,0,0,0|2,0,0]=4 2596 B8R0.2 COC(=O)C(Br)C(C)C MCULE-2879214598 [0,2,0,0,0,0|1,0,0]=3 2597 B8R0.2 COC(=O)C(C)C(=O)C MCULE-7473005493 [0,2,0,0,0,0|2,0,0]=4 2598 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,2,0,0,0,0|2,0,0]=4 2599 B8R0.2 COC(=O)C(C)C(C)O MCULE-1377857651 [0,2,0,0,0,0|2,0,0]=4 2600 B8R0.2 COC(=O)C(C)C(C)S MCULE-8090305970 [0,2,0,0,0,0|2,0,0]=4 2601 B8R0.2 COC(=O)C(Cl)C(=O)C MCULE-8703201551 [0,2,0,0,0,0|2,0,0]=4 2602 B8R0.2 COC(=O)C(Cl)C(C)Cl MCULE-8079111955 [0,2,0,0,0,0|2,0,0]=4 2603 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6003738013 [0,2,0,0,0,0|2,0,0]=4 2604 B8R0.2 COC(=O)C(N)C(=O)C MCULE-6286319401 [0,2,0,0,0,0|2,0,0]=4 2605 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,2,0,0,0,0|2,0,0]=4 2606 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,2,0,0,0,0|2,0,0]=4 2607 B8R0.2 COC(=O)C(N)C(C)C MCULE-2054930909 [0,2,0,0,0,0|1,0,0]=3 2608 B8R0.2 COC(=O)C(N)C(C)C MCULE-2312805449 [0,2,0,0,0,0|1,0,0]=3 2609 B8R0.2 COC(=O)C(N)C(C)C MCULE-4433456538 [0,2,0,0,0,0|1,0,0]=3 2610 B8R0.2 COC(=O)C(N)C(C)C MCULE-4595803138 [0,2,0,0,0,0|1,0,0]=3 2611 B8R0.2 COC(=O)C(N)C(C)Cl MCULE-6074076208 [0,2,0,0,0,0|2,0,0]=4 2612 B8R0.2 COC(=O)C(N)C(C)Cl MCULE-6154308704 [0,2,0,0,0,0|2,0,0]=4 2613 B8R0.2 COC(=O)C(N)C(C)O MCULE-4054504482 [0,2,0,0,0,0|2,0,0]=4 2614 B8R0.2 COC(=O)C(N)C(C)O MCULE-5137175004 [0,2,0,0,0,0|2,0,0]=4 2615 B8R0.2 COC(=O)C(O)C(C)Br MCULE-7007726043 [0,2,0,0,0,0|2,0,0]=4 2616 B8R0.2 COC(=O)C(O)C(C)C MCULE-8424293497 [0,2,0,0,0,0|1,0,0]=3 2617 B8R0.2 COC(=O)C(O)C(C)N MCULE-7579168292 [0,2,0,0,0,0|2,0,0]=4 2618 B8R0.2 COC(=O)C(S)C(C)C MCULE-4177105598 [0,2,0,0,0,0|1,0,0]=3 2619 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,2,0,0,0,0|2,0,0]=4 2620 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,2,0,0,0,0|2,0,0]=4 2621 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-1961120276 [0,2,0,0,0,0|1,0,0]=3 2622 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-7694873432 [0,2,0,0,0,0|1,0,0]=3 2623 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-9509659105 [0,2,0,0,0,0|1,0,0]=3 2624 B8R0.2 COC(=O)[C@@H](N)C(C)C MCULE-9828778245 [0,2,0,0,0,0|1,0,0]=3 2625 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-3396042563 [0,2,0,0,0,0|2,0,0]=4 2626 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-3984373535 [0,2,0,0,0,0|2,0,0]=4 2627 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-5105961994 [0,2,0,0,0,0|2,0,0]=4 2628 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-6341068916 [0,2,0,0,0,0|2,0,0]=4 2629 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-6365007520 [0,2,0,0,0,0|2,0,0]=4 2630 B8R0.2 COC(=O)[C@@H](N)[C@@H](C)O MCULE-9648470447 [0,2,0,0,0,0|2,0,0]=4 2631 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-1344493357 [0,2,0,0,0,0|2,0,0]=4 2632 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-2707639795 [0,2,0,0,0,0|2,0,0]=4 2633 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-5310976879 [0,2,0,0,0,0|2,0,0]=4 2634 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-5466279343 [0,2,0,0,0,0|2,0,0]=4 2635 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-7651050243 [0,2,0,0,0,0|2,0,0]=4 2636 B8R0.2 COC(=O)[C@@H](N)[C@H](C)O MCULE-9066216802 [0,2,0,0,0,0|2,0,0]=4 2637 B8R0.2 COC(=O)[C@@H](O)C(C)C MCULE-5130677971 [0,2,0,0,0,0|1,0,0]=3 2638 B8R0.2 COC(=O)[C@@H](O)C(C)C MCULE-7282119938 [0,2,0,0,0,0|1,0,0]=3 2639 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-1711341812 [0,2,0,0,0,0|2,0,0]=4 2640 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-1867656873 [0,2,0,0,0,0|2,0,0]=4 2641 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-3450004076 [0,2,0,0,0,0|2,0,0]=4 2642 B8R0.2 COC(=O)[C@H](C)[C@@H](C)N MCULE-7295638242 [0,2,0,0,0,0|2,0,0]=4 2643 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-2129476798 [0,2,0,0,0,0|1,0,0]=3 2644 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-5614881016 [0,2,0,0,0,0|1,0,0]=3 2645 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-5653129894 [0,2,0,0,0,0|1,0,0]=3 2646 B8R0.2 COC(=O)[C@H](N)C(C)C MCULE-7878824190 [0,2,0,0,0,0|1,0,0]=3 2647 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-5915481519 [0,2,0,0,0,0|2,0,0]=4 2648 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-6143392922 [0,2,0,0,0,0|2,0,0]=4 2649 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-8582390480 [0,2,0,0,0,0|2,0,0]=4 2650 B8R0.2 COC(=O)[C@H](N)[C@@H](C)O MCULE-8654293763 [0,2,0,0,0,0|2,0,0]=4 2651 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-1159030229 [0,2,0,0,0,0|2,0,0]=4 2652 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-3519054990 [0,2,0,0,0,0|2,0,0]=4 2653 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-9015310634 [0,2,0,0,0,0|2,0,0]=4 2654 B8R0.2 COC(=O)[C@H](N)[C@H](C)O MCULE-9519182030 [0,2,0,0,0,0|2,0,0]=4 2655 B8R0.2 COC(=O)[C@H](O)C(C)C MCULE-2046755935 [0,2,0,0,0,0|1,0,0]=3 2656 B8R0.2 COC(=O)[C@H](O)C(C)C MCULE-7450255928 [0,2,0,0,0,0|1,0,0]=3 2657 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,2,0,0,0,0|1,0,0]=3 2658 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,2,0,0,0,0|1,0,0]=3 2659 B8R0.2 COC(C)C([NH3+])C(=O)[O-] MCULE-9174020309 [0,2,0,0,0,0|1,0,1]=4 2660 B8R0.2 CON(C)C(=O)C(=O)C MCULE-5569194996 [0,2,0,0,0,0|1,0,1]=4 2661 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,2,0,0,0,0|1,0,0]=3 2662 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,2,0,0,0,0|1,0,0]=3 2663 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,2,0,0,0,0|1,0,0]=3 2664 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,2,0,0,0,0|1,0,0]=3 2665 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,2,0,0,0,0|1,0,0]=3 2666 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,2,0,0,0,0|1,0,0]=3 2667 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,2,0,0,0,0|1,0,0]=3 2668 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,2,0,0,0,0|1,0,0]=3 2669 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,2,0,0,0,0|1,0,0]=3 2670 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [0,2,0,0,0,0|1,0,0]=3 2671 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,2,0,0,0,0|2,0,0]=4 2672 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,2,0,0,0,0|2,0,0]=4 2673 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,2,0,0,0,0|2,0,0]=4 2674 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [0,2,0,0,0,0|2,0,0]=4 2675 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [0,2,0,0,0,0|2,0,0]=4 2676 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,2,0,0,0,0|2,0,0]=4 2677 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,2,0,0,0,0|2,0,0]=4 2678 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,2,0,0,0,0|2,0,0]=4 2679 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,2,0,0,0,0|2,0,0]=4 2680 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,2,0,0,0,0|2,0,0]=4 2681 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,2,0,0,0,0|2,0,0]=4 2682 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,2,0,0,0,0|2,0,0]=4 2683 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,2,0,0,0,0|2,0,0]=4 2684 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,2,0,0,0,0|2,0,0]=4 2685 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,2,0,0,0,0|2,0,0]=4 2686 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,2,0,0,0,0|2,0,0]=4 2687 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,2,0,0,0,0|1,0,1]=4 2688 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,2,0,0,0,0|2,0,0]=4 2689 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,2,0,0,0,0|2,0,0]=4 2690 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,2,0,0,0,0|2,0,0]=4 2691 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,2,0,0,0,0|2,0,0]=4 2692 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,2,0,0,0,0|2,0,0]=4 2693 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,2,0,0,0,0|2,0,0]=4 2694 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,2,0,0,0,0|2,0,0]=4 2695 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,2,0,0,0,0|2,0,0]=4 2696 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,2,0,0,0,0|2,0,0]=4 2697 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,2,0,0,0,0|2,0,0]=4 2698 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,2,0,0,0,0|2,0,0]=4 2699 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,2,0,0,0,0|2,0,0]=4 2700 B8R0.5 CC(=CC=O)CC(C)C MCULE-4061823977 [0,2,0,0,0,0|2,0,0]=4 2701 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [0,2,0,0,0,0|1,0,0]=3 2702 B8R0.5 CC(C)CC(=O)CC#N MCULE-2694593001 [0,2,0,0,0,0|2,0,0]=4 2703 B8R0.5 CC(C)CC(=O)OCCl MCULE-3506308902 [0,2,0,0,0,0|1,0,0]=3 2704 B8R0.5 CC(C)CC(=O)OCI MCULE-8217025108 [0,2,0,0,0,0|1,0,0]=3 2705 B8R0.5 CC(C)NC(=O)CCO MCULE-2988622710 [0,2,0,0,0,0|2,0,0]=4 2706 B8R0.5 CC(C)NC(=O)OCCl MCULE-9464097550 [0,2,0,0,0,0|2,0,0]=4 2707 B8R0.5 CC(C)OC(=O)OCCl MCULE-6987085424 [0,2,0,0,0,0|2,0,0]=4 2708 B8R0.5 CC(C)OC(=O)OCI MCULE-7199284723 [0,2,0,0,0,0|2,0,0]=4 2709 B8R0.5 CC(O)CN(C)CCO MCULE-4977568845 [0,2,0,0,0,0|1,0,1]=4 2710 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,2,0,0,0,0|2,0,0]=4 2711 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,2,0,0,0,0|1,0,1]=4 2712 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,2,0,0,0,0|1,0,1]=4 2713 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,2,0,0,0,0|2,0,0]=4 2714 B8R0.5 CCCC(=O)CC(C)C MCULE-1475988710 [0,2,0,0,0,0|2,0,0]=4 2715 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,2,0,0,0,0|2,0,0]=4 2716 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,2,0,0,0,0|1,0,0]=3 2717 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,2,0,0,0,0|2,0,0]=4 2718 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,2,0,0,0,0|2,0,0]=4 2719 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,2,0,0,0,0|2,0,0]=4 2720 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,2,0,0,0,0|2,0,0]=4 2721 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,2,0,0,0,0|2,0,0]=4 2722 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,2,0,0,0,0|0,0,0]=2 2723 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,2,0,0,0,0|0,0,0]=2 2724 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,2,0,0,0,0|2,0,0]=4 2725 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,2,0,0,0,0|2,0,0]=4 2726 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,2,0,0,0,0|2,0,0]=4 2727 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,2,0,0,0,0|2,0,0]=4 2728 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,2,0,0,0,0|2,0,0]=4 2729 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,2,0,0,0,0|2,0,0]=4 2730 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,2,0,0,0,0|2,0,0]=4 2731 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,2,0,0,0,0|1,0,0]=3 2732 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,2,0,0,0,0|1,0,0]=3 2733 B8R0.5 CCOC(=N)CC(C)C MCULE-4196552764 [0,2,0,0,0,0|2,0,0]=4 2734 B8R0.5 CCOC(=N)CC(C)C MCULE-7556709104 [0,2,0,0,0,0|2,0,0]=4 2735 B8R0.5 CCOC(=O)C=C(C)C MCULE-2935651341 [0,2,0,0,0,0|1,0,1]=4 2736 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [0,2,0,0,0,0|2,0,0]=4 2737 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,2,0,0,0,0|2,0,0]=4 2738 B8R0.5 CCOC(=O)CC(C)Br MCULE-4224246188 [0,2,0,0,0,0|2,0,0]=4 2739 B8R0.5 CCOC(=O)CC(C)C MCULE-1409113611 [0,2,0,0,0,0|1,0,0]=3 2740 B8R0.5 CCOC(=O)CC(C)N MCULE-1243805331 [0,2,0,0,0,0|2,0,0]=4 2741 B8R0.5 CCOC(=O)CC(C)N MCULE-5115744093 [0,2,0,0,0,0|2,0,0]=4 2742 B8R0.5 CCOC(=O)CC(C)N MCULE-5865270424 [0,2,0,0,0,0|2,0,0]=4 2743 B8R0.5 CCOC(=O)CC(C)N MCULE-7563274819 [0,2,0,0,0,0|2,0,0]=4 2744 B8R0.5 CCOC(=O)CC(C)O MCULE-5738582973 [0,2,0,0,0,0|2,0,0]=4 2745 B8R0.5 CCOC(=O)CC(C)O MCULE-7412227285 [0,2,0,0,0,0|2,0,0]=4 2746 B8R0.5 CCOC(=O)CC(C)S MCULE-1321603394 [0,2,0,0,0,0|2,0,0]=4 2747 B8R0.5 CCOC(=O)CN(C)C MCULE-7481726803 [0,2,0,0,0,0|0,0,0]=2 2748 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-1945272442 [0,2,0,0,0,0|2,0,0]=4 2749 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-2760267862 [0,2,0,0,0,0|2,0,0]=4 2750 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-3046196442 [0,2,0,0,0,0|2,0,0]=4 2751 B8R0.5 CCOC(=O)C[C@@H](C)N MCULE-8919184785 [0,2,0,0,0,0|2,0,0]=4 2752 B8R0.5 CCOC(=O)C[C@@H](C)O MCULE-2482059514 [0,2,0,0,0,0|2,0,0]=4 2753 B8R0.5 CCOC(=O)C[C@@H](C)O MCULE-7632639859 [0,2,0,0,0,0|2,0,0]=4 2754 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-2736239635 [0,2,0,0,0,0|2,0,0]=4 2755 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-4857755885 [0,2,0,0,0,0|2,0,0]=4 2756 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-8001518919 [0,2,0,0,0,0|2,0,0]=4 2757 B8R0.5 CCOC(=O)C[C@H](C)N MCULE-9141489226 [0,2,0,0,0,0|2,0,0]=4 2758 B8R0.5 CCOC(=O)C[C@H](C)O MCULE-7934535288 [0,2,0,0,0,0|2,0,0]=4 2759 B8R0.5 CCOC(=O)C[C@H](C)O MCULE-8099928659 [0,2,0,0,0,0|2,0,0]=4 2760 B8R0.5 CCOC(=O)C[S+](C)C MCULE-6931339935 [0,2,0,0,0,0|1,0,0]=3 2761 B8R0.5 CCOC(=O)C[S+](C)C MCULE-7075454926 [0,2,0,0,0,0|1,0,0]=3 2762 B8R0.5 CCOC(=O)NC(C)C MCULE-1540464163 [0,2,0,0,0,0|2,0,0]=4 2763 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,2,0,0,0,0|1,0,0]=3 2764 B8R0.5 CN(C)CC(N)CCO MCULE-6705437586 [0,2,0,0,0,0|1,0,1]=4 2765 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,2,0,0,0,0|0,0,0]=2 2766 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,2,0,0,0,0|2,0,0]=4 2767 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,2,0,0,0,0|2,0,0]=4 2768 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [0,2,0,0,0,0|1,0,1]=4 2769 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [0,2,0,0,0,0|2,0,0]=4 2770 B8R0.5 COCC(=O)CC(C)C MCULE-3040467675 [0,2,0,0,0,0|1,0,0]=3 2771 B8R0.5 COCC(=O)OC(C)C MCULE-3543304597 [0,2,0,0,0,0|2,0,0]=4 2772 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,2,0,0,0,0|1,0,0]=3 2773 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,2,0,0,0,0|2,0,0]=4 2774 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,2,0,0,0,0|2,0,0]=4 2775 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [0,2,0,0,0,0|1,0,1]=4 2776 B8R0.16 CCC(=CC(=O)O)CC MCULE-1347248467 [0,2,0,0,0,0|1,0,1]=4 2777 B8R0.16 CCC(=CN(C)C)C=O MCULE-7562265801 [0,2,0,0,0,0|1,0,1]=4 2778 B8R0.16 CCC(CC(=O)N)OC MCULE-9685044533 [0,2,0,0,0,0|2,0,0]=4 2779 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [0,2,0,0,0,0|1,0,0]=3 2780 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [0,2,0,0,0,0|1,0,0]=3 2781 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [0,2,0,0,0,0|2,0,0]=4 2782 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [0,2,0,0,0,0|2,0,0]=4 2783 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [0,2,0,0,0,0|1,0,0]=3 2784 B8R0.16 CCN(CC)CC(=O)C MCULE-9148873435 [0,2,0,0,0,0|1,0,0]=3 2785 B8R0.16 CCN(CC)CC(=O)N MCULE-6912193750 [0,2,0,0,0,0|1,0,0]=3 2786 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [0,2,0,0,0,0|0,0,0]=2 2787 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [0,2,0,0,0,0|0,0,0]=2 2788 B8R0.16 CCN(CC)CC(=O)[O-] MCULE-5593114931 [0,2,0,0,0,0|0,0,1]=3 2789 B8R0.16 CCN(CC)CC(C)O MCULE-9610800748 [0,2,0,0,0,0|1,0,1]=4 2790 B8R0.16 CN(C)/C=C(/C#N)\C=O MCULE-2154083397 [0,2,0,0,0,0|1,0,1]=4 2791 B8R0.16 CN(C)C=C(C#N)C=O MCULE-8663870681 [0,2,0,0,0,0|1,0,1]=4 2792 B8R0.16 CN(C)CC(C#N)C=O MCULE-9583673753 [0,2,0,0,0,0|1,0,1]=4 2793 B8R0.16 CO/C(=C/N(C)C)/C=O MCULE-7624417388 [0,2,0,0,0,0|0,0,1]=3 2794 B8R0.16 COC(=CN(C)C)C=O MCULE-9451220083 [0,2,0,0,0,0|0,0,1]=3 2795 B8R0.16 COC(C=O)CC(C)C MCULE-3050869989 [0,2,0,0,0,0|1,0,1]=4 2796 B8R0.16 COC(CC(=O)C)OC MCULE-4638877505 [0,2,0,0,0,0|2,0,0]=4 2797 B8R0.16 COC(CC(=O)N)OC MCULE-8599636273 [0,2,0,0,0,0|2,0,0]=4 2798 B8R0.16 COC(CC(=O)O)OC MCULE-5378328171 [0,2,0,0,0,0|1,0,0]=3 2799 B8R0.16 COC(CN(C)C)OC MCULE-3180900652 [0,2,0,0,0,0|0,0,2]=4 2800 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,2,0,0,0,0|1,0,0]=3 2801 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,2,0,0,0,0|1,0,0]=3 2802 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,2,0,0,0,0|1,0,0]=3 2803 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [0,2,0,0,0,0|2,0,0]=4 2804 B8R0.19 C=C(CCl)CC(=O)OC MCULE-3436182948 [0,2,0,0,0,0|1,0,1]=4 2805 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,2,0,0,0,0|2,0,0]=4 2806 B8R0.19 CCC(=O)CC(C)CC MCULE-8568086135 [0,2,0,0,0,0|2,0,0]=4 2807 B8R0.19 CCC(C)CC(=O)OC MCULE-6040162942 [0,2,0,0,0,0|1,0,0]=3 2808 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,2,0,0,0,0|2,0,0]=4 2809 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,2,0,0,0,0|2,0,0]=4 2810 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,2,0,0,0,0|2,0,0]=4 2811 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,2,0,0,0,0|2,0,0]=4 2812 B8R0.19 CCN(C)CC(=O)NN MCULE-1832911721 [0,2,0,0,0,0|1,0,0]=3 2813 B8R0.19 CCN(C)CC(=O)NN MCULE-2865164993 [0,2,0,0,0,0|1,0,0]=3 2814 B8R0.19 CCN(C)CC(=O)NN MCULE-7681557684 [0,2,0,0,0,0|1,0,0]=3 2815 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,2,0,0,0,0|2,0,0]=4 2816 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [0,2,0,0,0,0|2,0,0]=4 2817 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [0,2,0,0,0,0|2,0,0]=4 2818 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,2,0,0,0,0|2,0,0]=4 2819 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,2,0,0,0,0|2,0,0]=4 2820 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,2,0,0,0,0|2,0,0]=4 2821 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,2,0,0,0,0|2,0,0]=4 2822 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [0,2,0,0,0,0|2,0,0]=4 2823 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [0,2,0,0,0,0|2,0,0]=4 2824 B8R0.19 CN/C(=C/C(=O)OC)/C MCULE-6748104823 [0,2,0,0,0,0|1,0,1]=4 2825 B8R0.19 CN/C(=C\C(=O)OC)/C MCULE-6583518879 [0,2,0,0,0,0|1,0,1]=4 2826 B8R0.19 CNC(=CC(=O)OC)C MCULE-1607524183 [0,2,0,0,0,0|1,0,1]=4 2827 B8R0.19 CNC(=O)CC(C)NC MCULE-8409395532 [0,2,0,0,0,0|2,0,0]=4 2828 B8R0.19 CNC(=O)CC(C)NC MCULE-9311295772 [0,2,0,0,0,0|2,0,0]=4 2829 B8R0.19 CNC(C)CC(=O)OC MCULE-1039195486 [0,2,0,0,0,0|1,0,0]=3 2830 B8R0.19 COC(=N)CC(=O)OC MCULE-2416316391 [0,2,0,0,0,0|2,0,0]=4 2831 B8R0.19 COC(=N)CC(=O)OC MCULE-9193442551 [0,2,0,0,0,0|2,0,0]=4 2832 B8R0.19 COC(=O)/C=C(\C)/OC MCULE-8813923973 [0,2,0,0,0,0|1,0,1]=4 2833 B8R0.19 COC(=O)C=C(C)OC MCULE-1610055087 [0,2,0,0,0,0|1,0,1]=4 2834 B8R0.19 COC(=O)CC(=O)CCl MCULE-1683633113 [0,2,0,0,0,0|2,0,0]=4 2835 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,2,0,0,0,0|2,0,0]=4 2836 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,2,0,0,0,0|1,0,1]=4 2837 B8R0.19 COC(=O)CC(C)CBr MCULE-9170421446 [0,2,0,0,0,0|1,0,0]=3 2838 B8R0.19 COC(=O)CC(C)SC MCULE-9425584839 [0,2,0,0,0,0|1,0,0]=3 2839 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [0,2,0,0,0,0|2,0,0]=4 2840 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [0,2,0,0,0,0|2,0,0]=4 2841 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,2,0,0,0,0|2,0,0]=4 2842 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,2,0,0,0,0|2,0,0]=4 2843 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [0,2,0,0,0,0|2,0,0]=4 2844 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,2,0,0,0,0|2,0,0]=4 2845 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,2,0,0,0,0|2,0,0]=4 2846 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,2,0,0,0,0|2,0,0]=4 2847 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,2,0,0,0,0|2,0,0]=4 2848 B8R0.19 COC(=O)CN(C)C=O MCULE-9266775990 [0,2,0,0,0,0|0,0,1]=3 2849 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [0,2,0,0,0,0|2,0,0]=4 2850 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [0,2,0,0,0,0|2,0,0]=4 2851 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [0,2,0,0,0,0|2,0,0]=4 2852 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [0,2,0,0,0,0|2,0,0]=4 2853 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,2,0,0,0,0|2,0,0]=4 2854 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,2,0,0,0,0|2,0,0]=4 2855 B8R0.19 COC(=O)NC(C)CN MCULE-4563927308 [0,2,0,0,0,0|2,0,0]=4 2856 B8R0.19 COC(=O)NC(C)CN MCULE-8813177733 [0,2,0,0,0,0|2,0,0]=4 2857 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-1533957902 [0,2,0,0,0,0|2,0,0]=4 2858 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-7036214898 [0,2,0,0,0,0|2,0,0]=4 2859 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-8908212489 [0,2,0,0,0,0|2,0,0]=4 2860 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-9526857370 [0,2,0,0,0,0|2,0,0]=4 2861 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,2,0,0,0,0|2,0,0]=4 2862 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,2,0,0,0,0|2,0,0]=4 2863 B8R0.24 CC(C)(C)C/C(=N/O)/Cl MCULE-1368275307 [0,2,0,0,0,0|2,0,0]=4 2864 B8R0.24 CC(C)(C)C/C(=N/O)/N MCULE-5549028481 [0,2,0,0,0,0|2,0,0]=4 2865 B8R0.24 CC(C)(C)CC(=O)CBr MCULE-3003238476 [0,2,0,0,0,0|2,0,0]=4 2866 B8R0.24 CC(C)(C)CC(=O)NN MCULE-2447850618 [0,2,0,0,0,0|2,0,0]=4 2867 B8R0.24 CC(C)(C)CC(=O)NN MCULE-4899801536 [0,2,0,0,0,0|2,0,0]=4 2868 B8R0.24 CC(C)(C)CC(=O)NO MCULE-7851302505 [0,2,0,0,0,0|1,0,0]=3 2869 B8R0.24 CC(C)(C)NC(=O)CO MCULE-8646082517 [0,2,0,0,0,0|2,0,0]=4 2870 B8R0.24 CC(C)(C)OC(=O)CO MCULE-5147843466 [0,2,0,0,0,0|2,0,0]=4 2871 B8R0.24 CC(C)(C)OC(=O)NO MCULE-6535596246 [0,2,0,0,0,0|2,0,0]=4 2872 B8R0.24 CN(C=O)CP(=O)(O)O MCULE-5250485746 [0,2,0,0,0,0|1,0,1]=4 2873 B8R0.24 COC(=O)CC(C)(C)Br MCULE-8991861071 [0,2,0,0,0,0|1,0,0]=3 2874 B8R0.24 COC(=O)CC(C)(C)C MCULE-3411402706 [0,2,0,0,0,0|1,0,0]=3 2875 B8R0.24 COC(=O)CC(C)(C)N MCULE-1261823146 [0,2,0,0,0,0|1,0,0]=3 2876 B8R0.24 COC(=O)CC(C)(C)N MCULE-9654641564 [0,2,0,0,0,0|1,0,0]=3 2877 B8R0.24 COC(=O)CC(C)(C)O MCULE-7166479769 [0,2,0,0,0,0|1,0,0]=3 2878 B8R0.24 COC(=O)CC(C)(F)F MCULE-7009111440 [0,2,0,0,0,0|2,0,0]=4 2879 B8R0.24 COC(=O)CS(=O)(=O)C MCULE-8613714610 [0,2,0,0,0,0|2,0,0]=4 2880 B8R0.24 COC(=O)C[Si](C)(C)C MCULE-5804507255 [0,2,0,0,0,0|1,0,0]=3 2881 B8R0.24 COC(=O)NC(C)(C)C MCULE-9651721607 [0,2,0,0,0,0|2,0,0]=4 2882 B8R0.24 COC(=O)N[Si](C)(C)C MCULE-4344729633 [0,2,0,0,0,0|2,0,0]=4 2883 B8R0.24 COC(=O)OC(C)(C)C MCULE-4865384314 [0,2,0,0,0,0|2,0,0]=4 2884 B8R0.24 CS(=O)(=NC(=O)CO)C MCULE-5445947037 [0,2,0,0,0,0|2,0,0]=4 2885 B8R0.24 C[N+](C)(C)CC(=O)NN MCULE-1361170426 [0,2,0,0,0,0|1,0,1]=4 2886 B8R0.24 C[N+](C)(C)CC(=O)NN MCULE-5584866955 [0,2,0,0,0,0|1,0,1]=4 2887 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [0,2,0,0,0,0|1,0,0]=3 2888 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,2,0,0,0,0|1,0,1]=4 2889 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,2,0,0,0,0|1,0,1]=4 2890 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [0,2,0,0,0,0|1,0,1]=4 2891 B8R0.34 CC(=O)CC(C)(C)C#N MCULE-9609954598 [0,2,0,0,0,0|2,0,0]=4 2892 B8R0.34 CC(C)(C#N)CC(=O)O MCULE-3389391069 [0,2,0,0,0,0|1,0,0]=3 2893 B8R0.34 CC(C)(CBr)CC(=O)O MCULE-4311085343 [0,2,0,0,0,0|1,0,0]=3 2894 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [0,2,0,0,0,0|1,0,0]=3 2895 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [0,2,0,0,0,0|1,0,0]=3 2896 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [0,2,0,0,0,0|1,0,0]=3 2897 B8R0.34 CC(C)(CO)CC(=O)[O-] MCULE-9214676521 [0,2,0,0,0,0|1,0,1]=4 2898 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,2,0,0,0,0|1,0,0]=3 2899 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,2,0,0,0,0|1,0,0]=3 2900 B8R0.34 CCC(C)(C)CC(=O)C MCULE-9050476347 [0,2,0,0,0,0|2,0,0]=4 2901 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [0,2,0,0,0,0|1,0,0]=3 2902 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [0,2,0,0,0,0|1,0,0]=3 2903 B8R0.34 CCC(F)(F)CC(=O)O MCULE-6139996682 [0,2,0,0,0,0|2,0,0]=4 2904 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [0,2,0,0,0,0|2,0,0]=4 2905 B8R0.34 CN(C)CC(C)(C)C=O MCULE-4625427065 [0,2,0,0,0,0|1,0,1]=4 2906 B8R0.34 CN(C)CC(C)(C)CO MCULE-8031935929 [0,2,0,0,0,0|1,0,1]=4 2907 B8R0.34 CN(C)CC(C)(O)CN MCULE-8502250073 [0,2,0,0,0,0|1,0,1]=4 2908 B8R0.34 CNS(=O)(=O)CC(=O)O MCULE-3154336304 [0,2,0,0,0,0|2,0,0]=4 2909 B8R0.34 COC(C)(C)CC(=O)C MCULE-7283878436 [0,2,0,0,0,0|2,0,0]=4 2910 B8R0.34 COC(C)(C)CC(=O)O MCULE-3953307849 [0,2,0,0,0,0|1,0,0]=3 2911 B8R0.34 CSC(C)(C)CC(=O)C MCULE-8630996828 [0,2,0,0,0,0|2,0,0]=4 2912 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [0,2,0,0,0,0|2,0,0]=4 2913 B8R0.27 C(N)(C(=O)O)C(C)(C)S MCULE-1893345960 [0,2,0,0,0,0|1,0,0]=3 2914 B8R0.27 C=C(C(=O)O)C(C)(C)C MCULE-7253303469 [0,2,0,0,0,0|1,0,1]=4 2915 B8R0.27 CC(=O)[C@@H](N)C(C)(C)C MCULE-9412848571 [0,2,0,0,0,0|2,0,0]=4 2916 B8R0.27 CC(C(=O)O)C(C)(C)C MCULE-5931607530 [0,2,0,0,0,0|1,0,0]=3 2917 B8R0.27 CC(C(=O)O)C(C)(F)F MCULE-3134887311 [0,2,0,0,0,0|2,0,0]=4 2918 B8R0.27 CC(C(=O)O)S(=O)(=O)C MCULE-7357476405 [0,2,0,0,0,0|2,0,0]=4 2919 B8R0.27 CC(C)(Br)C(Br)C(=O)O MCULE-2600237498 [0,2,0,0,0,0|1,0,0]=3 2920 B8R0.27 CC(C)(C)C(=O)C(=O)O MCULE-2891266778 [0,2,0,0,0,0|1,0,1]=4 2921 B8R0.27 CC(C)(C)C(Br)C(=O)O MCULE-3140400663 [0,2,0,0,0,0|1,0,0]=3 2922 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-3894112806 [0,2,0,0,0,0|2,0,0]=4 2923 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7020753722 [0,2,0,0,0,0|2,0,0]=4 2924 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7146166501 [0,2,0,0,0,0|2,0,0]=4 2925 B8R0.27 CC(C)(C)C(N)C(=O)N MCULE-7871694729 [0,2,0,0,0,0|2,0,0]=4 2926 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-4378220677 [0,2,0,0,0,0|1,0,0]=3 2927 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-7142182400 [0,2,0,0,0,0|1,0,0]=3 2928 B8R0.27 CC(C)(C)C(N)C(=O)O MCULE-9877941557 [0,2,0,0,0,0|1,0,0]=3 2929 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-2831225594 [0,2,0,0,0,0|1,0,0]=3 2930 B8R0.27 CC(C)(C)C(O)C(=O)O MCULE-6241480954 [0,2,0,0,0,0|1,0,0]=3 2931 B8R0.27 CC(C)(C)[C@@H](N)C(=O)N MCULE-9445074583 [0,2,0,0,0,0|2,0,0]=4 2932 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-1280092872 [0,2,0,0,0,0|1,0,0]=3 2933 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-8741274445 [0,2,0,0,0,0|1,0,0]=3 2934 B8R0.27 CC(C)(C)[C@@H](N)C(=O)O MCULE-9585981018 [0,2,0,0,0,0|1,0,0]=3 2935 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-4712331175 [0,2,0,0,0,0|1,0,0]=3 2936 B8R0.27 CC(C)(C)[C@@H](O)C(=O)O MCULE-9440383034 [0,2,0,0,0,0|1,0,0]=3 2937 B8R0.27 CC(C)(C)[C@H](Br)C(=O)O MCULE-3604683063 [0,2,0,0,0,0|1,0,0]=3 2938 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-2483407443 [0,2,0,0,0,0|2,0,0]=4 2939 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-4654034585 [0,2,0,0,0,0|2,0,0]=4 2940 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-9173080997 [0,2,0,0,0,0|2,0,0]=4 2941 B8R0.27 CC(C)(C)[C@H](N)C(=O)N MCULE-9398616649 [0,2,0,0,0,0|2,0,0]=4 2942 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-2361901374 [0,2,0,0,0,0|1,0,0]=3 2943 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-7700637346 [0,2,0,0,0,0|1,0,0]=3 2944 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8028056550 [0,2,0,0,0,0|1,0,0]=3 2945 B8R0.27 CC(C)(C)[C@H](N)C(=O)O MCULE-8791211435 [0,2,0,0,0,0|1,0,0]=3 2946 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-4165755614 [0,2,0,0,0,0|1,0,0]=3 2947 B8R0.27 CC(C)(C)[C@H](O)C(=O)O MCULE-6845662197 [0,2,0,0,0,0|1,0,0]=3 2948 B8R0.27 CC(C)(F)C(Br)C(=O)O MCULE-8601470705 [0,2,0,0,0,0|1,0,0]=3 2949 B8R0.27 CC(C)(F)C(N)C(=O)O MCULE-3479476353 [0,2,0,0,0,0|1,0,0]=3 2950 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-4975554837 [0,2,0,0,0,0|1,0,0]=3 2951 B8R0.27 CC(C)(F)[C@H](N)C(=O)O MCULE-6202392495 [0,2,0,0,0,0|1,0,0]=3 2952 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4257891769 [0,2,0,0,0,0|1,0,0]=3 2953 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-4291820573 [0,2,0,0,0,0|1,0,0]=3 2954 B8R0.27 CC(C)(O)C(N)C(=O)O MCULE-8731964950 [0,2,0,0,0,0|1,0,0]=3 2955 B8R0.27 CC(C)(O)C(O)C(=O)O MCULE-2030710507 [0,2,0,0,0,0|1,0,0]=3 2956 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-2953137860 [0,2,0,0,0,0|1,0,0]=3 2957 B8R0.27 CC(C)(O)[C@@H](N)C(=O)O MCULE-3424625974 [0,2,0,0,0,0|1,0,0]=3 2958 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-3721152032 [0,2,0,0,0,0|1,0,0]=3 2959 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-7599346102 [0,2,0,0,0,0|1,0,0]=3 2960 B8R0.27 CC(C)(O)[C@H](N)C(=O)O MCULE-9499245205 [0,2,0,0,0,0|1,0,0]=3 2961 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-4184299411 [0,2,0,0,0,0|1,0,0]=3 2962 B8R0.27 CC(C)(S)C(N)C(=O)O MCULE-8542176080 [0,2,0,0,0,0|1,0,0]=3 2963 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-5986342172 [0,2,0,0,0,0|1,0,0]=3 2964 B8R0.27 CC(C)(S)[C@@H](N)C(=O)O MCULE-9856748563 [0,2,0,0,0,0|1,0,0]=3 2965 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-3098543641 [0,2,0,0,0,0|1,0,0]=3 2966 B8R0.27 CC(C)(S)[C@H](N)C(=O)O MCULE-9539588985 [0,2,0,0,0,0|1,0,0]=3 2967 B8R0.27 CC(C)C(N)S(=O)(=O)O MCULE-1741232006 [0,2,0,0,0,0|2,0,0]=4 2968 B8R0.27 CC(C)C(O)S(=O)(=O)O MCULE-5782226558 [0,2,0,0,0,0|2,0,0]=4 2969 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-1789483909 [0,2,0,0,0,0|2,0,0]=4 2970 B8R0.27 CC(F)(F)C(N)C(=O)O MCULE-3186979989 [0,2,0,0,0,0|2,0,0]=4 2971 B8R0.27 CP(=O)(C)C(O)C(=O)O MCULE-6921301874 [0,2,0,0,0,0|0,1,0]=3 2972 B8R0.27 C[C@@H](C(=O)[O-])[N+](C)(C)C MCULE-7808968396 [0,2,0,0,0,0|0,0,2]=4 2973 B8R0.27 [C@@H](N)(C(=O)O)C(C)(C)O MCULE-5116872005 [0,2,0,0,0,0|1,0,0]=3 2974 B8R0.27 [C@H](N)(C(=O)O)C(C)(C)S MCULE-5559697921 [0,2,0,0,0,0|1,0,0]=3 2975 B8R0.18 CC(=C(C#N)C(=O)O)C MCULE-7102466999 [0,2,0,0,0,0|1,0,1]=4 2976 B8R0.18 CC(=O)C(C#N)C(C)C MCULE-2400075763 [0,2,0,0,0,0|2,0,0]=4 2977 B8R0.18 CC(C)C(CN)C(=O)O MCULE-4117902081 [0,2,0,0,0,0|1,0,0]=3 2978 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7615812755 [0,2,0,0,0,0|1,0,0]=3 2979 B8R0.18 CC(C)C(CN)C(=O)O MCULE-7742033605 [0,2,0,0,0,0|1,0,0]=3 2980 B8R0.18 CC(C)C(CO)C(=O)O MCULE-3554430088 [0,2,0,0,0,0|1,0,0]=3 2981 B8R0.18 CC(C)C(CO)C(=O)[O-] MCULE-8769338268 [0,2,0,0,0,0|1,0,1]=4 2982 B8R0.18 CC(C)C(NN)C(=O)O MCULE-5064228794 [0,2,0,0,0,0|1,0,0]=3 2983 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-1192054373 [0,2,0,0,0,0|1,0,0]=3 2984 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-3040043200 [0,2,0,0,0,0|1,0,0]=3 2985 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-4353846755 [0,2,0,0,0,0|1,0,0]=3 2986 B8R0.18 CC(C)[C@@H](CN)C(=O)O MCULE-6762829521 [0,2,0,0,0,0|1,0,0]=3 2987 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4384560751 [0,2,0,0,0,0|1,0,0]=3 2988 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4859224613 [0,2,0,0,0,0|1,0,0]=3 2989 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-4974717674 [0,2,0,0,0,0|1,0,0]=3 2990 B8R0.18 CC(C)[C@H](CN)C(=O)O MCULE-7170111497 [0,2,0,0,0,0|1,0,0]=3 2991 B8R0.18 CC(C)[C@H](NO)C(=O)O MCULE-4203177410 [0,2,0,0,0,0|1,0,0]=3 2992 B8R0.18 CCC(C(=O)C)C(C)C MCULE-3028115393 [0,2,0,0,0,0|2,0,0]=4 2993 B8R0.18 CCC(C(=O)O)C(C)C MCULE-5914693527 [0,2,0,0,0,0|1,0,0]=3 2994 B8R0.18 CCC(C(=O)O)C(C)N MCULE-2976322800 [0,2,0,0,0,0|2,0,0]=4 2995 B8R0.18 CCC(C(=O)O)C(C)O MCULE-1064081188 [0,2,0,0,0,0|2,0,0]=4 2996 B8R0.18 CCC(C(=O)O)N(C)C MCULE-4235177725 [0,2,0,0,0,0|0,0,0]=2 2997 B8R0.18 CC[C@@H](C(=O)O)N(C)C MCULE-3756764540 [0,2,0,0,0,0|0,0,0]=2 2998 B8R0.18 CC[C@H](C(=O)O)N(C)C MCULE-4719850768 [0,2,0,0,0,0|0,0,0]=2 2999 B8R0.18 CN(C)C(CN)C(=O)O MCULE-6449978430 [0,2,0,0,0,0|0,0,0]=2 3000 B8R0.18 CNC(C(=O)C)C(C)C MCULE-7800115305 [0,2,0,0,0,0|2,0,0]=4 3001 B8R0.18 CNC(C(=O)C)C(C)C MCULE-7817785327 [0,2,0,0,0,0|2,0,0]=4 3002 B8R0.18 CNC(C(=O)O)C(C)C MCULE-2983512448 [0,2,0,0,0,0|1,0,0]=3 3003 B8R0.18 CNC(C(=O)O)C(C)C MCULE-5377326864 [0,2,0,0,0,0|1,0,0]=3 3004 B8R0.18 CNC(C(=O)O)C(C)C MCULE-7319327975 [0,2,0,0,0,0|1,0,0]=3 3005 B8R0.18 CNC(C(=O)O)C(C)O MCULE-8017224741 [0,2,0,0,0,0|2,0,0]=4 3006 B8R0.18 CN[C@@H](C(=O)N)C(C)C MCULE-3721439514 [0,2,0,0,0,0|2,0,0]=4 3007 B8R0.18 CN[C@@H](C(=O)N)C(C)C MCULE-9356028516 [0,2,0,0,0,0|2,0,0]=4 3008 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4099145544 [0,2,0,0,0,0|1,0,0]=3 3009 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-4380404369 [0,2,0,0,0,0|1,0,0]=3 3010 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9367123188 [0,2,0,0,0,0|1,0,0]=3 3011 B8R0.18 CN[C@@H](C(=O)O)C(C)C MCULE-9706333586 [0,2,0,0,0,0|1,0,0]=3 3012 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5443567819 [0,2,0,0,0,0|1,0,0]=3 3013 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5552228182 [0,2,0,0,0,0|1,0,0]=3 3014 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-5767489702 [0,2,0,0,0,0|1,0,0]=3 3015 B8R0.18 CN[C@H](C(=O)O)C(C)C MCULE-8822349419 [0,2,0,0,0,0|1,0,0]=3 3016 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-5405618703 [0,2,0,0,0,0|2,0,0]=4 3017 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-6470355986 [0,2,0,0,0,0|2,0,0]=4 3018 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7261692258 [0,2,0,0,0,0|2,0,0]=4 3019 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-7763091319 [0,2,0,0,0,0|2,0,0]=4 3020 B8R0.18 CN[C@H](C(=O)O)[C@@H](C)O MCULE-8429501411 [0,2,0,0,0,0|2,0,0]=4 3021 B8R0.18 COC(C(=O)O)C(C)Br MCULE-9261088290 [0,2,0,0,0,0|2,0,0]=4 3022 B8R0.18 COC(C(=O)O)C(C)C MCULE-4922461673 [0,2,0,0,0,0|1,0,0]=3 3023 B8R0.18 COC(C(=O)O)C(C)C MCULE-6661618070 [0,2,0,0,0,0|1,0,0]=3 3024 B8R0.18 COC(C(=O)O)C(C)N MCULE-5882264486 [0,2,0,0,0,0|2,0,0]=4 3025 B8R0.18 CO[C@@H](C(=O)O)C(C)C MCULE-1619707717 [0,2,0,0,0,0|1,0,0]=3 3026 B8R0.18 CO[C@H](C(=O)O)C(C)C MCULE-2291773409 [0,2,0,0,0,0|1,0,0]=3 3027 B8R0.18 CSC(C(=O)O)C(C)C MCULE-9613087260 [0,2,0,0,0,0|1,0,0]=3 3028 B8R0.37 C=C(C)C(C)(C)C(=O)O MCULE-2186408605 [0,2,0,0,0,0|1,0,1]=4 3029 B8R0.37 CC(=O)C(C)(C)C(=O)O MCULE-5093326895 [0,2,0,0,0,0|2,0,0]=4 3030 B8R0.37 CC(Br)C(C)(Br)C(=O)O MCULE-4288495047 [0,2,0,0,0,0|2,0,0]=4 3031 B8R0.37 CC(C)C(C)(C)C(=O)O MCULE-8335448418 [0,2,0,0,0,0|1,0,0]=3 3032 B8R0.37 CC(C)C(C)(N)C(=O)N MCULE-6386036357 [0,2,0,0,0,0|2,0,0]=4 3033 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-2018617657 [0,2,0,0,0,0|1,0,0]=3 3034 B8R0.37 CC(C)C(C)(N)C(=O)O MCULE-8116018936 [0,2,0,0,0,0|1,0,0]=3 3035 B8R0.37 CC(C)C(C)(O)C(=O)O MCULE-3909217790 [0,2,0,0,0,0|1,0,0]=3 3036 B8R0.37 CC(C)C(F)(F)C(=O)O MCULE-2732318443 [0,2,0,0,0,0|1,0,0]=3 3037 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-1672449529 [0,2,0,0,0,0|1,0,0]=3 3038 B8R0.37 CC(C)[C@@](C)(N)C(=O)O MCULE-5333264309 [0,2,0,0,0,0|1,0,0]=3 3039 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-3942243398 [0,2,0,0,0,0|1,0,0]=3 3040 B8R0.37 CC(C)[C@](C)(N)C(=O)O MCULE-5291448404 [0,2,0,0,0,0|1,0,0]=3 3041 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-4369218088 [0,2,0,0,0,0|2,0,0]=4 3042 B8R0.37 CC(N)C(C)(C)C(=O)O MCULE-9651473536 [0,2,0,0,0,0|2,0,0]=4 3043 B8R0.37 CC(O)C(C)(N)C(=O)O MCULE-9781647782 [0,2,0,0,0,0|2,0,0]=4 3044 B8R0.37 CC(O)C(C)(O)C(=O)O MCULE-5546110054 [0,2,0,0,0,0|2,0,0]=4 3045 B8R0.37 CC(O)C(F)(F)C(=O)O MCULE-8714570962 [0,2,0,0,0,0|2,0,0]=4 3046 B8R0.37 CN(C)C(C)(C)C(=O)N MCULE-6674001349 [0,2,0,0,0,0|1,0,0]=3 3047 B8R0.37 CN(C)C(C)(C)C(=O)O MCULE-8408889105 [0,2,0,0,0,0|0,0,0]=2 3048 B8R0.37 CN(C)C(C)(C)C(=O)O MCULE-9860731659 [0,2,0,0,0,0|0,0,0]=2 3049 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-4212497890 [0,2,0,0,0,0|2,0,0]=4 3050 B8R0.37 C[C@@H](O)[C@](C)(N)C(=O)O MCULE-7382680634 [0,2,0,0,0,0|2,0,0]=4 3051 B8R0.37 C[C@H](O)[C@@](C)(N)C(=O)O MCULE-5661079280 [0,2,0,0,0,0|2,0,0]=4 3052 B6R1.2 C1(CCNC1)O MCULE-2676539647 [1,0,0,1,0,0|1,0,1]=4 3053 B6R1.2 C1(CCNC1)O MCULE-4228466615 [1,0,0,1,0,0|1,0,1]=4 3054 B6R1.2 C=C1CCNC1 MCULE-7982953073 [1,0,0,1,0,0|2,0,0]=4 3055 B6R1.2 C=C1CCNC1 MCULE-8428731599 [1,0,0,1,0,0|2,0,0]=4 3056 B6R1.2 CC1=CCNC1 MCULE-5892113847 [1,0,0,1,0,0|2,0,0]=4 3057 B6R1.2 CC1=CCNC1 MCULE-9225220351 [1,0,0,1,0,0|2,0,0]=4 3058 B6R1.2 CC1CCOC1 MCULE-6424683416 [1,0,0,1,0,0|1,0,1]=4 3059 B6R1.2 CC1CNOC1 MCULE-1071803164 [1,0,0,1,0,0|2,0,0]=4 3060 B6R1.2 CC1CNOC1 MCULE-9455391174 [1,0,0,1,0,0|2,0,0]=4 3061 B6R1.2 CN1CC=CC1 MCULE-2586884916 [1,0,0,1,0,0|1,0,0]=3 3062 B6R1.2 CN1CCCC1 MCULE-5387702231 [1,0,0,1,0,0|1,0,1]=4 3063 B6R1.2 CN1CCNC1 MCULE-8059197564 [1,0,0,1,0,0|1,0,1]=4 3064 B6R1.2 CN1CCNC1 MCULE-9818601515 [1,0,0,1,0,0|1,0,1]=4 3065 B6R1.2 CN1CCOC1 MCULE-5504672404 [1,0,0,1,0,0|0,0,1]=3 3066 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,1,0,0|1,0,1]=4 3067 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,1,0,0|2,0,0]=4 3068 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,1,0,0|2,0,0]=4 3069 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|1,0,0]=3 3070 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,1,0,0|1,1,0]=4 3071 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|1,0,0]=3 3072 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|1,0,0]=3 3073 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,1,0,0|2,0,0]=4 3074 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,1,0,0|2,0,0]=4 3075 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,1,0,0|2,0,0]=4 3076 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,1,0,0|1,0,0]=3 3077 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,1,0,0|1,0,0]=3 3078 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,1,0,0|2,0,0]=4 3079 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|2,0,0]=4 3080 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,1,0,0|2,0,0]=4 3081 B6R1.2 OC1CCNC1 MCULE-4307402606 [1,0,0,1,0,0|1,0,1]=4 3082 B6R1.2 OC1CCNC1 MCULE-6745480350 [1,0,0,1,0,0|1,0,1]=4 3083 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [1,0,0,1,0,0|1,0,1]=4 3084 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [1,0,0,1,0,0|1,0,1]=4 3085 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [1,0,0,1,0,0|1,0,1]=4 3086 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [1,0,0,1,0,0|1,0,1]=4 3087 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [1,0,0,1,0,0|1,0,1]=4 3088 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [1,0,0,1,0,0|1,0,1]=4 3089 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [1,0,0,1,0,0|1,0,1]=4 3090 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [1,0,0,1,0,0|1,0,1]=4 3091 B6R1.3 NCCN1CC1 MCULE-3554584147 [1,0,0,1,0,0|1,0,1]=4 3092 B6R1.3 O=CCC1CC1 MCULE-3319649937 [1,0,0,1,0,0|1,0,0]=3 3093 B6R1.3 O=CNC1CC1 MCULE-6602451187 [1,0,0,1,0,0|2,0,0]=4 3094 B6R1.3 OCCC1CC1 MCULE-1360348684 [1,0,0,1,0,0|1,0,1]=4 3095 B6R1.3 OCCN1CC1 MCULE-3845187783 [1,0,0,1,0,0|0,0,1]=3 3096 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [1,0,0,1,0,0|1,0,1]=4 3097 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [1,0,0,1,0,0|1,0,0]=3 3098 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [1,0,0,1,0,0|2,0,0]=4 3099 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|1,0,0]=3 3100 B6R1.5 CC1CC(C1)O MCULE-8612661286 [1,0,0,1,0,0|1,0,1]=4 3101 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [1,0,0,1,0,0|0,0,0]=2 3102 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [1,0,0,1,0,0|0,0,0]=2 3103 B6R1.5 CN1CC(C1)Cl MCULE-8475620447 [1,0,0,1,0,0|1,0,1]=4 3104 B6R1.5 CN1CC(C1)Cl MCULE-8543507391 [1,0,0,1,0,0|1,0,1]=4 3105 B6R1.5 CN1CC(C1)N MCULE-2180239206 [1,0,0,1,0,0|1,0,1]=4 3106 B6R1.5 CN1CC(C1)N MCULE-4181047352 [1,0,0,1,0,0|1,0,1]=4 3107 B6R1.5 CN1CC(C1)O MCULE-2897194266 [1,0,0,1,0,0|0,0,1]=3 3108 B6R1.5 CN1CC(C1)O MCULE-3717153558 [1,0,0,1,0,0|0,0,1]=3 3109 B6R1.5 CN1CC(C1)O MCULE-7229396078 [1,0,0,1,0,0|0,0,1]=3 3110 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|1,0,0]=3 3111 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [1,0,0,1,0,0|1,0,1]=4 3112 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|2,0,0]=4 3113 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|2,0,0]=4 3114 B6R1.5 NN1CC(C1)O MCULE-1883589988 [1,0,0,1,0,0|1,0,1]=4 3115 B6R1.5 NN1CC(C1)O MCULE-4736517920 [1,0,0,1,0,0|1,0,1]=4 3116 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [1,0,0,1,0,0|2,0,0]=4 3117 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [1,0,0,1,0,0|2,0,0]=4 3118 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [1,0,0,1,0,0|2,0,0]=4 3119 B6R1.8 CC1CC1C=O MCULE-2600627355 [1,0,0,1,0,0|1,0,0]=3 3120 B6R1.8 CC1CC1CO MCULE-5196594569 [1,0,0,1,0,0|1,0,1]=4 3121 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [1,0,0,1,0,0|1,0,1]=4 3122 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [1,0,0,1,0,0|1,0,1]=4 3123 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [1,0,0,1,0,0|1,0,1]=4 3124 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [1,0,0,1,0,0|1,0,1]=4 3125 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [1,0,0,1,0,0|1,0,1]=4 3126 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [1,0,0,1,0,0|1,0,1]=4 3127 B6R1.8 O=CC1CC1Cl MCULE-5539872961 [1,0,0,1,0,0|2,0,0]=4 3128 B6R1.9 CC1(CC1O)C MCULE-2207251369 [1,0,0,1,0,0|1,0,1]=4 3129 B6R1.10 CC1(CNC1)O MCULE-3071077269 [1,0,0,1,0,0|1,0,1]=4 3130 B6R1.10 CC1(CNC1)O MCULE-9470244891 [1,0,0,1,0,0|1,0,1]=4 3131 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [1,0,0,1,0,0|2,0,0]=4 3132 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,1,0,0|2,0,0]=4 3133 B6R1.11 CC(C)C1CO1 MCULE-6294069717 [1,0,0,1,0,0|1,0,1]=4 3134 B6R1.11 CC(C)[C@@H]1CO1 MCULE-9181831987 [1,0,0,1,0,0|1,0,1]=4 3135 B6R1.11 CC(C)[C@H]1CO1 MCULE-1978831452 [1,0,0,1,0,0|1,0,1]=4 3136 B6R1.11 CN(C)C1CC1 MCULE-5891640069 [1,0,0,1,0,0|1,0,1]=4 3137 B6R1.11 CN(C)C1CC1 MCULE-6751529979 [1,0,0,1,0,0|1,0,1]=4 3138 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [1,0,0,1,0,0|2,0,0]=4 3139 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [1,0,0,1,0,0|2,0,0]=4 3140 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [1,0,0,1,0,0|2,0,0]=4 3141 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|1,0,0]=3 3142 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [1,0,0,1,0,0|0,0,0]=2 3143 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [1,0,0,1,0,0|1,0,0]=3 3144 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [1,0,0,1,0,0|0,0,0]=2 3145 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [1,0,0,1,0,0|0,0,0]=2 3146 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [1,0,0,1,0,0|1,0,0]=3 3147 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [1,0,0,1,0,0|1,0,0]=3 3148 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [1,0,0,1,0,0|0,0,1]=3 3149 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [1,0,0,1,0,0|1,0,1]=4 3150 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [1,0,0,1,0,0|1,0,1]=4 3151 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [1,0,0,1,0,0|1,0,1]=4 3152 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [1,0,0,1,0,0|1,0,1]=4 3153 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [1,0,0,1,0,0|1,0,1]=4 3154 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [1,0,0,1,0,0|1,0,1]=4 3155 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [1,0,0,1,0,0|1,0,1]=4 3156 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [1,0,0,1,0,0|2,0,0]=4 3157 B6R1.4 CC1CCC1=O MCULE-4548181715 [0,0,0,1,1,0|2,0,0]=4 3158 B6R1.4 CC1CNC1=O MCULE-5523309752 [0,0,0,1,1,0|2,0,0]=4 3159 B6R1.4 CC1COC1=O MCULE-9711165188 [0,0,0,1,1,0|1,0,0]=3 3160 B6R1.4 NC1COC1=O MCULE-6998565452 [0,0,0,1,1,0|2,0,0]=4 3161 B6R1.4 NN1CCC1=O MCULE-6200802911 [0,0,0,1,1,0|2,0,0]=4 3162 B6R1.4 NN1CCC1=O MCULE-8249778821 [0,0,0,1,1,0|2,0,0]=4 3163 B6R1.4 N[C@@H]1COC1=O MCULE-8080548213 [0,0,0,1,1,0|2,0,0]=4 3164 B6R1.4 N[C@@H]1COC1=O MCULE-9370092691 [0,0,0,1,1,0|2,0,0]=4 3165 B6R1.4 N[C@H]1COC1=O MCULE-4812631526 [0,0,0,1,1,0|2,0,0]=4 3166 B6R1.4 [C@@H]1(COC1=O)N MCULE-7456320845 [0,0,0,1,1,0|2,0,0]=4 3167 B8R1.3 C1(CNC(=O)CN1)C MCULE-9891046463 [0,0,0,1,0,1|2,0,0]=4 3168 B8R1.3 C=C1CCN(CC1)C MCULE-8616538841 [0,0,0,1,0,1|2,0,0]=4 3169 B8R1.3 CC1=CCC(=O)CC1 MCULE-5396065385 [0,0,0,1,0,1|2,0,0]=4 3170 B8R1.3 CC1CCC(=O)CC1 MCULE-5534475096 [0,0,0,1,0,1|2,0,0]=4 3171 B8R1.3 CC1CCC(=O)CC1 MCULE-9038467737 [0,0,0,1,0,1|2,0,0]=4 3172 B8R1.3 CC1CCC(=O)CN1 MCULE-1285022466 [0,0,0,1,0,1|2,0,0]=4 3173 B8R1.3 CC1CCC(=O)CN1 MCULE-9314433387 [0,0,0,1,0,1|2,0,0]=4 3174 B8R1.3 CC1CCC(=O)CO1 MCULE-8334906567 [0,0,0,1,0,1|2,0,0]=4 3175 B8R1.3 CC1CCC(=O)CS1 MCULE-9188619559 [0,0,0,1,0,1|2,0,0]=4 3176 B8R1.3 CC1CCC(=O)NC1 MCULE-1307751847 [0,0,0,1,0,1|2,0,0]=4 3177 B8R1.3 CC1CNC(=O)CN1 MCULE-2050820306 [0,0,0,1,0,1|2,0,0]=4 3178 B8R1.3 CC1CNC(=O)CN1 MCULE-9509469557 [0,0,0,1,0,1|2,0,0]=4 3179 B8R1.3 CC1CNC(=O)CO1 MCULE-6817757578 [0,0,0,1,0,1|2,0,0]=4 3180 B8R1.3 CC1COC(=O)OC1 MCULE-6795228051 [0,0,0,1,0,1|1,0,0]=3 3181 B8R1.3 CN1CC=C(CC1)Br MCULE-7803632839 [0,0,0,1,0,1|2,0,0]=4 3182 B8R1.3 CN1CC=C(CC1)Br MCULE-9568791028 [0,0,0,1,0,1|2,0,0]=4 3183 B8R1.3 CN1CCC(=O)CC1 MCULE-3370577555 [0,0,0,1,0,1|1,0,0]=3 3184 B8R1.3 CN1CCC(=O)CC1 MCULE-5364011649 [0,0,0,1,0,1|1,0,0]=3 3185 B8R1.3 CN1CCC(CC1)O MCULE-1769465111 [0,0,0,1,0,1|1,0,1]=4 3186 B8R1.3 CN1CCC(CC1)O MCULE-8742465276 [0,0,0,1,0,1|1,0,1]=4 3187 B8R1.3 CN1CN=C(NC1)S MCULE-4201809553 [0,0,0,1,0,1|1,1,0]=4 3188 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-4693797730 [0,0,0,1,0,1|2,0,0]=4 3189 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-5991774380 [0,0,0,1,0,1|2,0,0]=4 3190 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-6484213897 [0,0,0,1,0,1|2,0,0]=4 3191 B8R1.3 C[C@@H]1CCC(=O)CN1 MCULE-7346191190 [0,0,0,1,0,1|2,0,0]=4 3192 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1088991552 [0,0,0,1,0,1|2,0,0]=4 3193 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-1952714815 [0,0,0,1,0,1|2,0,0]=4 3194 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-3350871833 [0,0,0,1,0,1|2,0,0]=4 3195 B8R1.3 C[C@@H]1CNC(=O)CN1 MCULE-9637742350 [0,0,0,1,0,1|2,0,0]=4 3196 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7192421297 [0,0,0,1,0,1|2,0,0]=4 3197 B8R1.3 C[C@@H]1CNC(=O)CO1 MCULE-7394512903 [0,0,0,1,0,1|2,0,0]=4 3198 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-6334939841 [0,0,0,1,0,1|2,0,0]=4 3199 B8R1.3 C[C@H]1CCC(=O)CN1 MCULE-8476307649 [0,0,0,1,0,1|2,0,0]=4 3200 B8R1.3 C[C@H]1CCC(=O)NC1 MCULE-5712112445 [0,0,0,1,0,1|2,0,0]=4 3201 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-3373819559 [0,0,0,1,0,1|2,0,0]=4 3202 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-4486681671 [0,0,0,1,0,1|2,0,0]=4 3203 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-7180229103 [0,0,0,1,0,1|2,0,0]=4 3204 B8R1.3 C[C@H]1CNC(=O)CN1 MCULE-9466864223 [0,0,0,1,0,1|2,0,0]=4 3205 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-6169535590 [0,0,0,1,0,1|2,0,0]=4 3206 B8R1.3 C[C@H]1CNC(=O)CO1 MCULE-8876635175 [0,0,0,1,0,1|2,0,0]=4 3207 B8R1.3 O=C1CCC(=O)OC1 MCULE-5478039984 [0,0,0,1,0,1|2,0,0]=4 3208 B8R1.3 O=C1CCC(CO1)O MCULE-6372408261 [0,0,0,1,0,1|2,0,0]=4 3209 B8R1.3 O=C1COC(=O)CN1 MCULE-4171313774 [0,0,0,1,0,1|2,0,0]=4 3210 B8R1.3 O=C1COC(=O)CO1 MCULE-8927291216 [0,0,0,1,0,1|2,0,0]=4 3211 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,1|1,0,0]=3 3212 B8R1.23 C1(CC(=O)N1)C(=O)O MCULE-3416083471 [0,0,0,1,0,1|2,0,0]=4 3213 B8R1.23 C=C1CC(C1)C(=O)O MCULE-6435857280 [0,0,0,1,0,1|1,0,1]=4 3214 B8R1.23 CC(C)C1CC(=O)C1 MCULE-1288547159 [0,0,0,1,0,1|2,0,0]=4 3215 B8R1.23 CC(C)C1CC(=O)N1 MCULE-9034089552 [0,0,0,1,0,1|2,0,0]=4 3216 B8R1.23 CC(C)[C@@H]1CC(=O)N1 MCULE-4005923993 [0,0,0,1,0,1|2,0,0]=4 3217 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,0,0,1,0,1|1,0,0]=3 3218 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,0,0,1,0,1|1,0,0]=3 3219 B8R1.23 CN(C)C1CC(=O)C1 MCULE-6018790008 [0,0,0,1,0,1|1,0,0]=3 3220 B8R1.23 CN(C)C1CC(C1)O MCULE-1150389286 [0,0,0,1,0,1|1,0,1]=4 3221 B8R1.23 CN(C)C1CC(C1)O MCULE-2281417663 [0,0,0,1,0,1|1,0,1]=4 3222 B8R1.23 CN(C)[C@H]1C[C@@H](C1)O MCULE-9687643999 [0,0,0,1,0,1|1,0,1]=4 3223 B8R1.23 CN(C)[C@H]1C[C@H](C1)O MCULE-5096590941 [0,0,0,1,0,1|1,0,1]=4 3224 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-4240668885 [0,0,0,1,0,1|1,0,0]=3 3225 B8R1.23 CN1CC(C1)C(=O)Cl MCULE-8969093472 [0,0,0,1,0,1|1,0,0]=3 3226 B8R1.23 CN1CC(C1)C(=O)O MCULE-8825389553 [0,0,0,1,0,1|0,0,0]=2 3227 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,0,0,1,0,1|1,0,0]=3 3228 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,0,0,1,0,1|1,0,0]=3 3229 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,0,0,1,0,1|1,0,0]=3 3230 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,0,0,1,0,1|1,0,0]=3 3231 B8R1.23 NC1CC(C1)C(=O)O MCULE-8750839632 [0,0,0,1,0,1|2,0,0]=4 3232 B8R1.23 NC1CC(C1)C(=O)O MCULE-9051964103 [0,0,0,1,0,1|2,0,0]=4 3233 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-1844060803 [0,0,0,1,0,1|2,0,0]=4 3234 B8R1.23 N[C@H]1C[C@@H](C1)C(=O)O MCULE-2707924504 [0,0,0,1,0,1|2,0,0]=4 3235 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-3847725342 [0,0,0,1,0,1|2,0,0]=4 3236 B8R1.23 N[C@H]1C[C@H](C1)C(=O)O MCULE-4578532365 [0,0,0,1,0,1|2,0,0]=4 3237 B8R1.23 O=C(O)C1CC(C1)Br MCULE-8162503332 [0,0,0,1,0,1|2,0,0]=4 3238 B8R1.23 O=C(O)C1CC(C1)Cl MCULE-7489933597 [0,0,0,1,0,1|2,0,0]=4 3239 B8R1.23 O=C(O)C1CC(C1)F MCULE-7905028761 [0,0,0,1,0,1|2,0,0]=4 3240 B8R1.23 O=C(O)C1CC(C1)O MCULE-4341192467 [0,0,0,1,0,1|2,0,0]=4 3241 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)Br MCULE-1173253398 [0,0,0,1,0,1|2,0,0]=4 3242 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)F MCULE-4909435716 [0,0,0,1,0,1|2,0,0]=4 3243 B8R1.23 O=C(O)[C@H]1C[C@@H](C1)O MCULE-9908072079 [0,0,0,1,0,1|2,0,0]=4 3244 B8R1.23 O=C(O)[C@H]1C[C@H](C1)Br MCULE-9142067708 [0,0,0,1,0,1|2,0,0]=4 3245 B8R1.23 O=C(O)[C@H]1C[C@H](C1)F MCULE-7816380416 [0,0,0,1,0,1|2,0,0]=4 3246 B8R1.23 O=C(O)[C@H]1C[C@H](C1)O MCULE-5181925767 [0,0,0,1,0,1|2,0,0]=4 3247 B8R1.23 O=C1CC(C1)C(=O)O MCULE-8672788982 [0,0,0,1,0,1|2,0,0]=4 3248 B8R1.23 O=C1CC(N1)C(=O)O MCULE-3167823583 [0,0,0,1,0,1|2,0,0]=4 3249 B8R1.23 O=C1CC(O1)C(=O)O MCULE-1791104685 [0,0,0,1,0,1|2,0,0]=4 3250 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-2118093307 [0,0,0,1,0,1|2,0,0]=4 3251 B8R1.23 O=C1C[C@@H](N1)C(=O)O MCULE-7784171286 [0,0,0,1,0,1|2,0,0]=4 3252 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-1255798587 [0,0,0,1,0,1|2,0,0]=4 3253 B8R1.23 O=C1C[C@H](N1)C(=O)O MCULE-6947698869 [0,0,0,1,0,1|2,0,0]=4 3254 B8R1.23 [C@@H]1(C[C@@H](C1)C(=O)O)Cl MCULE-4605935494 [0,0,0,1,0,1|2,0,0]=4 3255 B8R1.35 CC(=O)CCC1CC1 MCULE-1674877061 [0,0,0,1,0,1|2,0,0]=4 3256 B8R1.35 CC(=O)NCC1CC1 MCULE-1770864212 [0,0,0,1,0,1|2,0,0]=4 3257 B8R1.35 NC(=O)CNC1CC1 MCULE-1569675703 [0,0,0,1,0,1|2,0,0]=4 3258 B8R1.35 NC(=O)CNC1CC1 MCULE-2912062351 [0,0,0,1,0,1|2,0,0]=4 3259 B8R1.35 NC(=O)NCC1CC1 MCULE-9526171923 [0,0,0,1,0,1|2,0,0]=4 3260 B8R1.35 O=C(Cl)OCC1CC1 MCULE-5850240668 [0,0,0,1,0,1|2,0,0]=4 3261 B8R1.35 O=C(O)/C=C/C1CC1 MCULE-2218783834 [0,0,0,1,0,1|1,0,1]=4 3262 B8R1.35 O=C(O)C#CC1CC1 MCULE-8494271998 [0,0,0,1,0,1|1,0,1]=4 3263 B8R1.35 O=C(O)C=CC1CC1 MCULE-9706214568 [0,0,0,1,0,1|1,0,1]=4 3264 B8R1.35 O=C(O)CCC1CC1 MCULE-1377442346 [0,0,0,1,0,1|1,0,0]=3 3265 B8R1.35 O=C(O)CCC1CO1 MCULE-1859826371 [0,0,0,1,0,1|2,0,0]=4 3266 B8R1.35 O=C(O)CNC1CC1 MCULE-7811029224 [0,0,0,1,0,1|1,0,0]=3 3267 B8R1.35 O=C(O)CNC1CC1 MCULE-9104732369 [0,0,0,1,0,1|1,0,0]=3 3268 B8R1.35 O=C(O)COC1CC1 MCULE-2555477617 [0,0,0,1,0,1|1,0,0]=3 3269 B8R1.35 O=C(O)CSC1CC1 MCULE-7890561094 [0,0,0,1,0,1|1,0,0]=3 3270 B8R1.51 C=C1COC(O1)(C)C MCULE-6956184576 [0,0,0,1,0,1|2,0,0]=4 3271 B8R1.51 CC1(CC(=O)CN1)C MCULE-3002354818 [0,0,0,1,0,1|2,0,0]=4 3272 B8R1.51 CC1(CC(=O)CO1)C MCULE-3813236339 [0,0,0,1,0,1|2,0,0]=4 3273 B8R1.51 CC1(CC(=O)CS1)C MCULE-8119393989 [0,0,0,1,0,1|2,0,0]=4 3274 B8R1.51 CC1(CCC(=O)C1)C MCULE-9814375082 [0,0,0,1,0,1|2,0,0]=4 3275 B8R1.51 CC1(CCC(=O)N1)C MCULE-2538104334 [0,0,0,1,0,1|2,0,0]=4 3276 B8R1.51 CC1(CCC(=O)O1)C MCULE-3069658569 [0,0,0,1,0,1|1,0,0]=3 3277 B8R1.51 CC1(CN=C(O1)N)C MCULE-6517199560 [0,0,0,1,0,1|2,0,0]=4 3278 B8R1.51 CC1(CNC(=O)C1)C MCULE-1184902754 [0,0,0,1,0,1|2,0,0]=4 3279 B8R1.51 CC1(CNC(=O)N1)C MCULE-2885809296 [0,0,0,1,0,1|2,0,0]=4 3280 B8R1.51 CC1(CNC(=O)O1)C MCULE-9188826896 [0,0,0,1,0,1|1,0,0]=3 3281 B8R1.51 CC1(COC(=O)C1)C MCULE-2810911497 [0,0,0,1,0,1|2,0,0]=4 3282 B8R1.51 CC1(COC(=O)N1)C MCULE-9709457440 [0,0,0,1,0,1|2,0,0]=4 3283 B8R1.51 CC1(NCC(=O)N1)C MCULE-4375597060 [0,0,0,1,0,1|2,0,0]=4 3284 B8R1.51 CC1(OCC(=O)O1)C MCULE-5121540413 [0,0,0,1,0,1|1,0,0]=3 3285 B8R1.51 CP1(=O)CCC(=O)O1 MCULE-3689691243 [0,0,0,1,0,1|1,1,0]=4 3286 B8R1.77 C1(CC1(C)C)C(=O)N MCULE-5718477060 [0,0,0,1,0,1|2,0,0]=4 3287 B8R1.77 CC(=O)C1CC1(C)C MCULE-5036637605 [0,0,0,1,0,1|2,0,0]=4 3288 B8R1.77 CC1(CC1C(=O)Cl)C MCULE-4090499692 [0,0,0,1,0,1|2,0,0]=4 3289 B8R1.77 CC1(CC1C(=O)N)C MCULE-5357702152 [0,0,0,1,0,1|2,0,0]=4 3290 B8R1.77 CC1(CC1C(=O)O)Br MCULE-8354202393 [0,0,0,1,0,1|2,0,0]=4 3291 B8R1.77 CC1(CC1C(=O)O)C MCULE-1018303180 [0,0,0,1,0,1|1,0,0]=3 3292 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-5378835991 [0,0,0,1,0,1|2,0,0]=4 3293 B8R1.77 CC1(C[C@@H]1C(=O)N)C MCULE-9161411761 [0,0,0,1,0,1|2,0,0]=4 3294 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8058233700 [0,0,0,1,0,1|1,0,0]=3 3295 B8R1.77 CC1(C[C@@H]1C(=O)O)C MCULE-8306311088 [0,0,0,1,0,1|1,0,0]=3 3296 B8R1.77 CC1(C[C@H]1C(=O)O)C MCULE-1908265175 [0,0,0,1,0,1|1,0,0]=3 3297 B8R1.77 CC1(OC1C(=O)O)C MCULE-6178976856 [0,0,0,1,0,1|1,0,0]=3 3298 B8R1.77 [C@H]1(CC1(C)C)C(=O)N MCULE-6467459637 [0,0,0,1,0,1|2,0,0]=4 3299 B8R1.1 C1(CCN(C1)C)CO MCULE-8028593286 [0,1,0,1,0,0|1,0,1]=4 3300 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,1,0,1,0,0|2,0,0]=4 3301 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,1,0,1,0,0|2,0,0]=4 3302 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,1,0,1,0,0|1,0,1]=4 3303 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,1,0,1,0,0|1,0,1]=4 3304 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,1,0,1,0,0|1,0,1]=4 3305 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,1,0,1,0,0|1,0,1]=4 3306 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,1,0,1,0,0|2,0,0]=4 3307 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,1,0,1,0,0|2,0,0]=4 3308 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,1,0,1,0,0|1,0,0]=3 3309 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,1,0,1,0,0|2,0,0]=4 3310 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,1,0,1,0,0|2,0,0]=4 3311 B8R1.1 CCN1CCC(=O)C1 MCULE-5806094458 [0,1,0,1,0,0|1,0,0]=3 3312 B8R1.1 CCN1CCC(C1)O MCULE-5692205926 [0,1,0,1,0,0|1,0,1]=4 3313 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,1,0,1,0,0|2,0,0]=4 3314 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,1,0,1,0,0|2,0,0]=4 3315 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,1,0,1,0,0|2,0,0]=4 3316 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,1,0,1,0,0|2,0,0]=4 3317 B8R1.1 CN1CCC(C1)CO MCULE-8101582241 [0,1,0,1,0,0|1,0,1]=4 3318 B8R1.1 CN1CC[C@@H](C1)CO MCULE-3904654758 [0,1,0,1,0,0|1,0,1]=4 3319 B8R1.1 CN1CC[C@@H](C1)CO MCULE-5091184467 [0,1,0,1,0,0|1,0,1]=4 3320 B8R1.1 CN1CC[C@H](C1)CO MCULE-7548866217 [0,1,0,1,0,0|1,0,1]=4 3321 B8R1.1 CN1CC[C@H](C1)CO MCULE-9206143876 [0,1,0,1,0,0|1,0,1]=4 3322 B8R1.1 CNC1CNC(=O)C1 MCULE-1673491824 [0,1,0,1,0,0|2,0,0]=4 3323 B8R1.1 CN[C@H]1CNC(=O)C1 MCULE-7859463391 [0,1,0,1,0,0|2,0,0]=4 3324 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,1,0,1,0,0|1,0,1]=4 3325 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,1,0,1,0,0|2,0,0]=4 3326 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,1,0,1,0,0|2,0,0]=4 3327 B8R1.1 CO[C@H]1CCN(C1)C MCULE-3202078388 [0,1,0,1,0,0|1,0,1]=4 3328 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,1,0,1,0,0|2,0,0]=4 3329 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,1,0,1,0,0|2,0,0]=4 3330 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,1,0,1,0,0|2,0,0]=4 3331 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,1,0,1,0,0|2,0,0]=4 3332 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,1,0,1,0,0|2,0,0]=4 3333 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,1,0,1,0,0|2,0,0]=4 3334 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,1,0,1,0,0|2,0,0]=4 3335 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,1,0,1,0,0|2,0,0]=4 3336 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,1,0,1,0,0|2,0,0]=4 3337 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,1,0,1,0,0|2,0,0]=4 3338 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,1,0,1,0,0|2,0,0]=4 3339 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,1,0,1,0,0|2,0,0]=4 3340 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,1,0,1,0,0|2,0,0]=4 3341 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,1,0,1,0,0|2,0,0]=4 3342 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,1,0,1,0,0|2,0,0]=4 3343 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,1,0,1,0,0|1,0,1]=4 3344 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,1,0,1,0,0|1,0,1]=4 3345 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,1,0,1,0,0|1,0,1]=4 3346 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,1,0,1,0,0|2,0,0]=4 3347 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,1,0,1,0,0|2,0,0]=4 3348 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,1,0,1,0,0|1,0,0]=3 3349 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,1,0,1,0,0|2,0,0]=4 3350 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,1,0,1,0,0|2,0,0]=4 3351 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,1,0,1,0,0|2,0,0]=4 3352 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,1,0,1,0,0|2,0,0]=4 3353 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,1,0,1,0,0|2,0,0]=4 3354 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,1,0,1,0,0|2,0,0]=4 3355 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,1,0,1,0,0|2,0,0]=4 3356 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,1,0,1,0,0|2,0,0]=4 3357 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,1,0,1,0,0|2,0,0]=4 3358 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,1,0,1,0,0|2,0,0]=4 3359 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,1,0,1,0,0|2,0,0]=4 3360 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,1,0,1,0,0|2,0,0]=4 3361 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,1,0,1,0,0|2,0,0]=4 3362 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,1,0,1,0,0|2,0,0]=4 3363 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,1,0,1,0,0|2,0,0]=4 3364 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,1,0,1,0,0|2,0,0]=4 3365 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,1,0,1,0,0|2,0,0]=4 3366 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,1,0,1,0,0|2,0,0]=4 3367 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,1,0,1,0,0|2,0,0]=4 3368 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,1,0,1,0,0|1,0,1]=4 3369 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,1,0,1,0,0|1,0,1]=4 3370 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,1,0,1,0,0|2,0,0]=4 3371 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,1,0,1,0,0|2,0,0]=4 3372 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,1,0,1,0,0|2,0,0]=4 3373 B8R1.4 C1(CCCN(C1)C)O MCULE-3423318871 [0,1,0,1,0,0|1,0,1]=4 3374 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,1,0,1,0,0|1,0,1]=4 3375 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,1,0,1,0,0|2,0,0]=4 3376 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,1,0,1,0,0|2,0,0]=4 3377 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,1,0,1,0,0|2,0,0]=4 3378 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,1,0,1,0,0|2,0,0]=4 3379 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,1,0,1,0,0|2,0,0]=4 3380 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,1,0,1,0,0|2,0,0]=4 3381 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,1,0,1,0,0|2,0,0]=4 3382 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,1,0,1,0,0|2,0,0]=4 3383 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,1,0,1,0,0|2,0,0]=4 3384 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,1,0,1,0,0|1,0,0]=3 3385 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,1,0,1,0,0|2,0,0]=4 3386 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,1,0,1,0,0|2,0,0]=4 3387 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,1,0,1,0,0|2,0,0]=4 3388 B8R1.4 CN1CCC=C(C1)Br MCULE-2257933393 [0,1,0,1,0,0|2,0,0]=4 3389 B8R1.4 CN1CCC=C(C1)Br MCULE-5744160461 [0,1,0,1,0,0|2,0,0]=4 3390 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,1,0,1,0,0|1,0,0]=3 3391 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,1,0,1,0,0|1,0,0]=3 3392 B8R1.4 CN1CCCC(C1)O MCULE-1282411969 [0,1,0,1,0,0|1,0,1]=4 3393 B8R1.4 CN1CCCC(C1)O MCULE-5914090374 [0,1,0,1,0,0|1,0,1]=4 3394 B8R1.4 CN1CCC[C@@H](C1)O MCULE-7507199450 [0,1,0,1,0,0|1,0,1]=4 3395 B8R1.4 CN1CCC[C@@H](C1)O MCULE-7595542900 [0,1,0,1,0,0|1,0,1]=4 3396 B8R1.4 CN1CCC[C@H](C1)O MCULE-1943345564 [0,1,0,1,0,0|1,0,1]=4 3397 B8R1.4 CN1CCC[C@H](C1)O MCULE-2523873601 [0,1,0,1,0,0|1,0,1]=4 3398 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,1,0,1,0,0|1,0,0]=3 3399 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,1,0,1,0,0|0,0,0]=2 3400 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,1,0,1,0,0|0,0,0]=2 3401 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,1,0,1,0,0|2,0,0]=4 3402 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,1,0,1,0,0|2,0,0]=4 3403 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,1,0,1,0,0|2,0,0]=4 3404 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,1,0,1,0,0|2,0,0]=4 3405 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,1,0,1,0,0|2,0,0]=4 3406 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,1,0,1,0,0|2,0,0]=4 3407 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,1,0,1,0,0|2,0,0]=4 3408 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,1,0,1,0,0|2,0,0]=4 3409 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,1,0,1,0,0|2,0,0]=4 3410 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,1,0,1,0,0|2,0,0]=4 3411 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,1,0,1,0,0|2,0,0]=4 3412 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,1,0,1,0,0|2,0,0]=4 3413 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,1,0,1,0,0|2,0,0]=4 3414 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,1,0,1,0,0|2,0,0]=4 3415 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,1,0,1,0,0|2,0,0]=4 3416 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,1,0,1,0,0|2,0,0]=4 3417 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,1,0,1,0,0|2,0,0]=4 3418 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,1,0,1,0,0|2,0,0]=4 3419 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,1,0,1,0,0|2,0,0]=4 3420 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,1,0,1,0,0|2,0,0]=4 3421 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,1,0,1,0,0|2,0,0]=4 3422 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,1,0,1,0,0|2,0,0]=4 3423 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,1,0,1,0,0|2,0,0]=4 3424 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,1,0,1,0,0|2,0,0]=4 3425 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,1,0,1,0,0|2,0,0]=4 3426 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,1,0,1,0,0|2,0,0]=4 3427 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,1,0,0|2,0,0]=4 3428 B8R1.4 O=C1COCC(=O)C1 MCULE-1763175933 [0,1,0,1,0,0|2,0,0]=4 3429 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,1,0,1,0,0|2,0,0]=4 3430 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,1,0,1,0,0|2,0,0]=4 3431 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [0,1,0,1,0,0|2,0,0]=4 3432 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,1,0,1,0,0|2,0,0]=4 3433 B8R1.18 CC1=CC(=O)NN1C MCULE-4105771613 [0,1,0,1,0,0|2,0,0]=4 3434 B8R1.18 CC1=CC(=O)NN1C MCULE-5102421138 [0,1,0,1,0,0|2,0,0]=4 3435 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,1,0,1,0,0|1,0,1]=4 3436 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,1,0,1,0,0|1,0,1]=4 3437 B8R1.18 CC1=NC(=CN1C)O MCULE-7502181826 [0,1,0,1,0,0|1,0,1]=4 3438 B8R1.18 CC1CC(=O)CN1C MCULE-3142275674 [0,1,0,1,0,0|1,0,0]=3 3439 B8R1.18 CC1CC(=O)N(C1)C MCULE-2164356802 [0,1,0,1,0,0|2,0,0]=4 3440 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,1,0,0|1,0,1]=4 3441 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,1,0,1,0,0|1,0,0]=3 3442 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,1,0,1,0,0|1,0,0]=3 3443 B8R1.18 CC1CN(CC1=O)C MCULE-3780339739 [0,1,0,1,0,0|1,0,0]=3 3444 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,1,0,1,0,0|2,0,0]=4 3445 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,1,0,1,0,0|2,0,0]=4 3446 B8R1.18 CN1CC(=O)CC1=O MCULE-9941627549 [0,1,0,1,0,0|1,0,1]=4 3447 B8R1.18 CN1CC(=O)N=C1N MCULE-2231869894 [0,1,0,1,0,0|1,0,1]=4 3448 B8R1.18 CN1CC(=O)NC1=N MCULE-7608108871 [0,1,0,1,0,0|1,0,1]=4 3449 B8R1.18 CN1CC(=O)NC1=N MCULE-8832153777 [0,1,0,1,0,0|1,0,1]=4 3450 B8R1.18 CN1CC(=O)NC1=O MCULE-6246850639 [0,1,0,1,0,0|1,0,1]=4 3451 B8R1.18 CN1CC(=O)NC1=S MCULE-6474760923 [0,1,0,1,0,0|1,0,1]=4 3452 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,1,0,1,0,0|0,0,1]=3 3453 B8R1.18 CN1CC(C(C1)O)N MCULE-2599335817 [0,1,0,1,0,0|1,0,1]=4 3454 B8R1.18 CN1CC(C(C1)O)N MCULE-6847369546 [0,1,0,1,0,0|1,0,1]=4 3455 B8R1.18 CN1C[C@@H]([C@@H](C1)O)F MCULE-1004495465 [0,1,0,1,0,0|1,0,1]=4 3456 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-2486938322 [0,1,0,1,0,0|1,0,1]=4 3457 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-5836595032 [0,1,0,1,0,0|1,0,1]=4 3458 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-6830124811 [0,1,0,1,0,0|1,0,1]=4 3459 B8R1.18 CN1C[C@@H]([C@@H](C1)O)N MCULE-9514040195 [0,1,0,1,0,0|1,0,1]=4 3460 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-3812148649 [0,1,0,1,0,0|1,0,1]=4 3461 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-5853867679 [0,1,0,1,0,0|1,0,1]=4 3462 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-7840416361 [0,1,0,1,0,0|1,0,1]=4 3463 B8R1.18 CN1C[C@H]([C@@H](C1)O)N MCULE-8395934464 [0,1,0,1,0,0|1,0,1]=4 3464 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,1,0,0|1,0,1]=4 3465 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,1,0,1,0,0|1,0,0]=3 3466 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,1,0,1,0,0|0,0,0]=2 3467 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,1,0,1,0,0|1,0,1]=4 3468 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,1,0,1,0,0|2,0,0]=4 3469 B8R1.31 CC(C)C1CCC1=O MCULE-1869737626 [0,1,0,1,0,0|2,0,0]=4 3470 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,1,0,1,0,0|1,0,0]=3 3471 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,1,0,1,0,0|1,0,0]=3 3472 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,1,0,1,0,0|1,0,0]=3 3473 B8R1.31 CN(C)[C@@H]1CC[C@H]1O MCULE-1886348176 [0,1,0,1,0,0|1,0,1]=4 3474 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,1,0,1,0,0|0,0,0]=2 3475 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,1,0,1,0,0|0,0,0]=2 3476 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,1,0,1,0,0|0,0,0]=2 3477 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,1,0,1,0,0|0,0,0]=2 3478 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,1,0,1,0,0|0,0,0]=2 3479 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,1,0,1,0,0|1,0,0]=3 3480 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,1,0,1,0,0|1,0,0]=3 3481 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,1,0,1,0,0|1,0,0]=3 3482 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,1,0,1,0,0|1,0,0]=3 3483 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,1,0,1,0,0|2,0,0]=4 3484 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,1,0,1,0,0|2,0,0]=4 3485 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,1,0,1,0,0|2,0,0]=4 3486 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,1,0,1,0,0|2,0,0]=4 3487 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,1,0,1,0,0|2,0,0]=4 3488 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,1,0,1,0,0|2,0,0]=4 3489 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,1,0,1,0,0|2,0,0]=4 3490 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,1,0,1,0,0|2,0,0]=4 3491 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,1,0,1,0,0|2,0,0]=4 3492 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,1,0,1,0,0|2,0,0]=4 3493 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,1,0,1,0,0|2,0,0]=4 3494 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,1,0,1,0,0|2,0,0]=4 3495 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,1,0,1,0,0|2,0,0]=4 3496 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,1,0,1,0,0|2,0,0]=4 3497 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,1,0,1,0,0|2,0,0]=4 3498 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,1,0,1,0,0|2,0,0]=4 3499 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,1,0,1,0,0|2,0,0]=4 3500 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,1,0,1,0,0|2,0,0]=4 3501 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,1,0,1,0,0|2,0,0]=4 3502 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,1,0,1,0,0|2,0,0]=4 3503 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,1,0,1,0,0|1,0,0]=3 3504 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [0,1,0,1,0,0|2,0,0]=4 3505 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [0,1,0,1,0,0|2,0,0]=4 3506 B8R1.34 CC(O)CN1CCC1 MCULE-5888012727 [0,1,0,1,0,0|1,0,1]=4 3507 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [0,1,0,1,0,0|2,0,0]=4 3508 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [0,1,0,1,0,0|2,0,0]=4 3509 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [0,1,0,1,0,0|2,0,0]=4 3510 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,1,0,1,0,0|1,0,1]=4 3511 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,1,0,1,0,0|1,0,0]=3 3512 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,1,0,1,0,0|1,0,0]=3 3513 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,1,0,1,0,0|1,0,0]=3 3514 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,1,0,1,0,0|1,0,0]=3 3515 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,1,0,1,0,0|1,0,0]=3 3516 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,1,0,1,0,0|1,0,0]=3 3517 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,1,0,1,0,0|1,0,0]=3 3518 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,1,0,1,0,0|1,0,0]=3 3519 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,1,0,1,0,0|0,0,0]=2 3520 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,1,0,1,0,0|0,0,0]=2 3521 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [0,1,0,1,0,0|1,0,1]=4 3522 B8R1.40 C=CC(=O)CC1CC1 MCULE-2286262087 [0,1,0,1,0,0|2,0,0]=4 3523 B8R1.40 CCC(=O)CC1CC1 MCULE-7991524982 [0,1,0,1,0,0|2,0,0]=4 3524 B8R1.40 CCN(C)CC1CO1 MCULE-7480512181 [0,1,0,1,0,0|1,0,1]=4 3525 B8R1.40 COC(=O)C=C1CC1 MCULE-9046312556 [0,1,0,1,0,0|1,0,1]=4 3526 B8R1.40 COC(=O)CC1CC1 MCULE-5556326610 [0,1,0,1,0,0|1,0,0]=3 3527 B8R1.40 COC(=O)CC1CO1 MCULE-1978729257 [0,1,0,1,0,0|2,0,0]=4 3528 B8R1.40 COC(=O)C[C@@H]1CO1 MCULE-5425441463 [0,1,0,1,0,0|2,0,0]=4 3529 B8R1.40 N/C(=N\O)/CC1CC1 MCULE-2177833388 [0,1,0,1,0,0|2,0,0]=4 3530 B8R1.40 NCC(=O)CC1CC1 MCULE-2543196441 [0,1,0,1,0,0|2,0,0]=4 3531 B8R1.40 NCC(=O)CC1CC1 MCULE-5112659326 [0,1,0,1,0,0|2,0,0]=4 3532 B8R1.40 NNC(=O)CC1CC1 MCULE-5050226429 [0,1,0,1,0,0|2,0,0]=4 3533 B8R1.40 O=C(CBr)CC1CC1 MCULE-2483365582 [0,1,0,1,0,0|2,0,0]=4 3534 B8R1.40 O=C(CO)NC1CC1 MCULE-8403900056 [0,1,0,1,0,0|2,0,0]=4 3535 B8R1.42 CC(=O)CC1(CC1)C MCULE-3117561505 [0,1,0,1,0,0|2,0,0]=4 3536 B8R1.42 CC1(CC1)CC(=O)O MCULE-1590977154 [0,1,0,1,0,0|1,0,0]=3 3537 B8R1.42 CC1(N=N1)CC(=O)O MCULE-1987955811 [0,1,0,1,0,0|2,0,0]=4 3538 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,1,0,1,0,0|1,0,0]=3 3539 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,1,0,1,0,0|1,0,0]=3 3540 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,1,0,1,0,0|1,0,0]=3 3541 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,1,0,1,0,0|1,0,1]=4 3542 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,1,0,1,0,0|1,0,1]=4 3543 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,1,0,1,0,0|1,0,1]=4 3544 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,1,0,1,0,0|1,0,1]=4 3545 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,1,0,1,0,0|1,0,1]=4 3546 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,1,0,1,0,0|1,0,1]=4 3547 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,1,0,1,0,0|1,0,1]=4 3548 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,1,0,1,0,0|1,0,0]=3 3549 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,1,0,1,0,0|1,0,0]=3 3550 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,1,0,1,0,0|1,0,0]=3 3551 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,1,0,1,0,0|1,0,1]=4 3552 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,1,0,1,0,0|1,0,1]=4 3553 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,1,0,1,0,0|1,0,1]=4 3554 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,1,0,1,0,0|1,0,1]=4 3555 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,1,0,1,0,0|1,0,1]=4 3556 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,1,0,1,0,0|2,0,0]=4 3557 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,1,0,1,0,0|1,0,0]=3 3558 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,1,0,1,0,0|1,0,0]=3 3559 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,1,0,1,0,0|1,0,0]=3 3560 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,1,0,1,0,0|1,0,0]=3 3561 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,1,0,1,0,0|1,0,0]=3 3562 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,1,0,1,0,0|1,0,0]=3 3563 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,1,0,1,0,0|1,0,0]=3 3564 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,1,0,1,0,0|1,0,0]=3 3565 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,1,0,1,0,0|1,0,0]=3 3566 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,1,0,1,0,0|1,0,1]=4 3567 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,1,0,1,0,0|1,0,1]=4 3568 B8R1.62 CC1(CC(=O)C1)CO MCULE-4643412830 [0,1,0,1,0,0|2,0,0]=4 3569 B8R1.62 CC1(CC(=O)N1)CCl MCULE-7182920776 [0,1,0,1,0,0|2,0,0]=4 3570 B8R1.62 CN1CC(C1)(C)CO MCULE-8859661890 [0,1,0,1,0,0|1,0,1]=4 3571 B8R1.62 CN1CC(C1)(F)CO MCULE-7912146077 [0,1,0,1,0,0|1,0,1]=4 3572 B8R1.62 CN1CC(C1)(O)CN MCULE-1778534111 [0,1,0,1,0,0|1,0,1]=4 3573 B8R1.62 CN1CC(C1)(O)CN MCULE-8887268668 [0,1,0,1,0,0|1,0,1]=4 3574 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [0,1,0,1,0,0|1,0,0]=3 3575 B8R1.83 CC1CC1/C(=N/O)/N MCULE-9358928072 [0,1,0,1,0,0|2,0,0]=4 3576 B8R1.83 CC1CC1C(=O)CCl MCULE-1203840849 [0,1,0,1,0,0|2,0,0]=4 3577 B8R1.83 CC1CC1C(=O)NN MCULE-3813713819 [0,1,0,1,0,0|2,0,0]=4 3578 B8R1.83 CCC(=O)C1CC1C MCULE-4552256059 [0,1,0,1,0,0|2,0,0]=4 3579 B8R1.83 COC(=O)C1CC1Br MCULE-8891645401 [0,1,0,1,0,0|2,0,0]=4 3580 B8R1.83 COC(=O)C1CC1C MCULE-9202068586 [0,1,0,1,0,0|1,0,0]=3 3581 B8R1.83 COC(=O)[C@@H]1C[C@@H]1Br MCULE-3965032710 [0,1,0,1,0,0|2,0,0]=4 3582 B8R1.83 COC(=O)[C@H]1C[C@@H]1Br MCULE-9083522272 [0,1,0,1,0,0|2,0,0]=4 3583 B8R1.30 CC1(CC1Br)C(=O)O MCULE-8673991477 [0,1,0,1,0,0|2,0,0]=4 3584 B8R1.30 CC1(CC1F)C(=O)O MCULE-8465675013 [0,1,0,1,0,0|2,0,0]=4 3585 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [0,1,0,1,0,0|1,0,0]=3 3586 B8R1.30 C[C@@]1(C[C@@H]1Br)C(=O)O MCULE-1474744945 [0,1,0,1,0,0|2,0,0]=4 3587 B8R1.30 C[C@]1(C[C@@H]1F)C(=O)O MCULE-3210206701 [0,1,0,1,0,0|2,0,0]=4 3588 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-6362421682 [0,1,0,1,0,0|2,0,0]=4 3589 B8R1.30 C[C@]1(C[C@H]1F)C(=O)O MCULE-9963754001 [0,1,0,1,0,0|2,0,0]=4 3590 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,1,0,1,0,0|1,0,1]=4 3591 B8R1.50 CC1=NOC(=O)C1C MCULE-6668573558 [0,1,0,1,0,0|2,0,0]=4 3592 B8R1.50 CC1C(=O)CCN1C MCULE-8191851293 [0,1,0,1,0,0|1,0,0]=3 3593 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,1,0,0|2,0,0]=4 3594 B8R1.50 CC1CNC(=O)C1C MCULE-7439537346 [0,1,0,1,0,0|2,0,0]=4 3595 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,1,0,1,0,0|1,0,1]=4 3596 B8R1.50 O=C1COC(=O)C1Br MCULE-7458581655 [0,1,0,1,0,0|2,0,0]=4 3597 B8R1.50 O=C1COC(=O)C1Cl MCULE-1326411169 [0,1,0,1,0,0|2,0,0]=4 3598 B8R1.50 O=C1OCC(C1O)O MCULE-9766741798 [0,1,0,1,0,0|2,0,0]=4 3599 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-5447777048 [0,1,0,1,0,0|2,0,0]=4 3600 B8R1.50 O=C1OC[C@@H]([C@@H]1Br)O MCULE-8691985034 [0,1,0,1,0,0|2,0,0]=4 3601 B8R1.50 O=C1OC[C@@H]([C@@H]1O)O MCULE-8629460196 [0,1,0,1,0,0|2,0,0]=4 3602 B8R1.50 O=C1OC[C@@H]([C@H]1O)O MCULE-7303431003 [0,1,0,1,0,0|2,0,0]=4 3603 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-4704805755 [0,1,0,1,0,0|2,0,0]=4 3604 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7070309718 [0,1,0,1,0,0|2,0,0]=4 3605 B8R1.50 O=C1OC[C@H]([C@H]1O)O MCULE-7824820688 [0,1,0,1,0,0|2,0,0]=4 3606 B8R1.54 C(N)(C(=O)O)C1CC1 MCULE-4833544032 [0,1,0,1,0,0|1,0,0]=3 3607 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [0,1,0,1,0,0|1,0,1]=4 3608 B8R1.54 CC(=C1CC1)C(=O)O MCULE-5864255450 [0,1,0,1,0,0|1,0,1]=4 3609 B8R1.54 CC(=O)C(C)C1CC1 MCULE-9797389889 [0,1,0,1,0,0|2,0,0]=4 3610 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [0,1,0,1,0,0|1,0,0]=3 3611 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5863587661 [0,1,0,1,0,0|2,0,0]=4 3612 B8R1.54 NC(=O)C(N)C1CC1 MCULE-5987826744 [0,1,0,1,0,0|2,0,0]=4 3613 B8R1.54 NC(=O)C(O)C1CC1 MCULE-4055290448 [0,1,0,1,0,0|2,0,0]=4 3614 B8R1.54 NC(C(=O)O)C1CC1 MCULE-1974514713 [0,1,0,1,0,0|1,0,0]=3 3615 B8R1.54 NC(C(=O)O)C1CC1 MCULE-3126466096 [0,1,0,1,0,0|1,0,0]=3 3616 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-5662004537 [0,1,0,1,0,0|1,0,0]=3 3617 B8R1.54 N[C@@H](C(=O)O)C1CC1 MCULE-9004548949 [0,1,0,1,0,0|1,0,0]=3 3618 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-4323013494 [0,1,0,1,0,0|1,0,0]=3 3619 B8R1.54 N[C@H](C(=O)O)C1CC1 MCULE-9475774396 [0,1,0,1,0,0|1,0,0]=3 3620 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [0,1,0,1,0,0|1,0,1]=4 3621 B8R1.54 O=C(O)C(F)C1CC1 MCULE-4799246955 [0,1,0,1,0,0|1,0,0]=3 3622 B8R1.54 O=C(O)C(O)C1CC1 MCULE-9945035089 [0,1,0,1,0,0|1,0,0]=3 3623 B8R1.54 O=C(O)[C@@H](O)C1CC1 MCULE-2409990996 [0,1,0,1,0,0|1,0,0]=3 3624 B8R1.54 O=C(O)[C@H](O)C1CC1 MCULE-2255829314 [0,1,0,1,0,0|1,0,0]=3 3625 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,0,0,2,0,0|2,0,0]=4 3626 B8R2.18 O=C1CC2CC2C1 MCULE-4411193370 [0,0,0,2,0,0|2,0,0]=4 3627 B8R2.18 O=C1CC2CC2N1 MCULE-6301280583 [0,0,0,2,0,0|2,0,0]=4 3628 B8R2.18 O=C1C[C@@H]2C[C@@H]2C1 MCULE-3069760916 [0,0,0,2,0,0|2,0,0]=4 3629 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,2,0,0|2,0,0]=4 3630 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,2,0,0|2,0,0]=4 3631 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,2,0,0|2,0,0]=4 3632 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,2,0,0|2,0,0]=4 3633 B8R2.38 O=C1NCC2C1C2 MCULE-5593114305 [0,0,0,2,0,0|2,0,0]=4 3634 B8R2.38 O=C1NC[C@H]2[C@@H]1C2 MCULE-6438081695 [0,0,0,2,0,0|2,0,0]=4 3635 B8R2.53 O=C1CC2(C1)CC2 MCULE-9599930498 [0,0,0,2,0,0|2,0,0]=4 3636 B8R0.28 C=C(C)CCCC(=O)O MCULE-1282031449 [0,0,0,0,0,2|1,0,1]=4 3637 B8R0.28 CC(=CCCC(=O)O)C MCULE-5848388333 [0,0,0,0,0,2|1,0,0]=3 3638 B8R0.28 CC(=O)/C=C/CC(C)C MCULE-3347834086 [0,0,0,0,0,2|2,0,0]=4 3639 B8R0.28 CC(=O)C=CCC(C)C MCULE-7397904120 [0,0,0,0,0,2|2,0,0]=4 3640 B8R0.28 CC(=O)CC=CC(=O)O MCULE-9526483708 [0,0,0,0,0,2|2,0,0]=4 3641 B8R0.28 CC(=O)CC=CC(C)C MCULE-1638476368 [0,0,0,0,0,2|2,0,0]=4 3642 B8R0.28 CC(=O)CCC=C(C)C MCULE-3832720881 [0,0,0,0,0,2|2,0,0]=4 3643 B8R0.28 CC(=O)CCCC(=O)O MCULE-2498129200 [0,0,0,0,0,2|2,0,0]=4 3644 B8R0.28 CC(=O)CCCC(C)C MCULE-7256575819 [0,0,0,0,0,2|2,0,0]=4 3645 B8R0.28 CC(=O)CCCN(C)C MCULE-8876627134 [0,0,0,0,0,2|1,0,0]=3 3646 B8R0.28 CC(=O)CCOC(C)C MCULE-5907441510 [0,0,0,0,0,2|2,0,0]=4 3647 B8R0.28 CC(=O)CNCC(C)C MCULE-3943786157 [0,0,0,0,0,2|2,0,0]=4 3648 B8R0.28 CC(=O)CNCC(C)C MCULE-9329085422 [0,0,0,0,0,2|2,0,0]=4 3649 B8R0.28 CC(=O)CSCC(C)C MCULE-1710631404 [0,0,0,0,0,2|2,0,0]=4 3650 B8R0.28 CC(=O)NCCC(=O)O MCULE-8867286578 [0,0,0,0,0,2|2,0,0]=4 3651 B8R0.28 CC(=O)NCCC(C)C MCULE-7572826846 [0,0,0,0,0,2|2,0,0]=4 3652 B8R0.28 CC(=O)OCC=C(C)C MCULE-1590395935 [0,0,0,0,0,2|2,0,0]=4 3653 B8R0.28 CC(=O)OCCC(=O)O MCULE-6617841906 [0,0,0,0,0,2|2,0,0]=4 3654 B8R0.28 CC(=O)OCCC(C)C MCULE-3274854886 [0,0,0,0,0,2|2,0,0]=4 3655 B8R0.28 CC(=O)OCCN(C)C MCULE-2915953466 [0,0,0,0,0,2|1,0,0]=3 3656 B8R0.28 CC(=O)SCCC(=O)O MCULE-2263963171 [0,0,0,0,0,2|2,0,0]=4 3657 B8R0.28 CC(C)/C=C/CC(=O)O MCULE-6288178603 [0,0,0,0,0,2|1,0,0]=3 3658 B8R0.28 CC(C)C=CCC(=O)O MCULE-1057297040 [0,0,0,0,0,2|1,0,0]=3 3659 B8R0.28 CC(C)CC=CC(=O)O MCULE-4966710694 [0,0,0,0,0,2|1,0,0]=3 3660 B8R0.28 CC(C)CCCC(=O)O MCULE-3645348479 [0,0,0,0,0,2|1,0,0]=3 3661 B8R0.28 CC(C)CCNC(=O)N MCULE-7857218878 [0,0,0,0,0,2|2,0,0]=4 3662 B8R0.28 CC(C)CCOC(=O)Cl MCULE-1140125816 [0,0,0,0,0,2|2,0,0]=4 3663 B8R0.28 CC(C)CNCC(=O)N MCULE-6834225327 [0,0,0,0,0,2|2,0,0]=4 3664 B8R0.28 CC(C)CNCC(=O)N MCULE-8464570977 [0,0,0,0,0,2|2,0,0]=4 3665 B8R0.28 CC(C)CNCC(=O)O MCULE-4695293444 [0,0,0,0,0,2|1,0,0]=3 3666 B8R0.28 CC(C)CNCC(=O)O MCULE-9936739681 [0,0,0,0,0,2|1,0,0]=3 3667 B8R0.28 CC(C)COCC(=O)N MCULE-8148336060 [0,0,0,0,0,2|2,0,0]=4 3668 B8R0.28 CC(C)COCC(=O)O MCULE-8643896966 [0,0,0,0,0,2|1,0,0]=3 3669 B8R0.28 CC(C)CSCC(=O)O MCULE-5182400762 [0,0,0,0,0,2|1,0,0]=3 3670 B8R0.28 CC(C)NCCC(=O)N MCULE-4812986605 [0,0,0,0,0,2|2,0,0]=4 3671 B8R0.28 CC(C)NCCC(=O)O MCULE-2087792459 [0,0,0,0,0,2|1,0,0]=3 3672 B8R0.28 CC(C)NCCC(=O)O MCULE-6893587807 [0,0,0,0,0,2|1,0,0]=3 3673 B8R0.28 CC(C)OCCC(=O)O MCULE-6533666992 [0,0,0,0,0,2|1,0,0]=3 3674 B8R0.28 CC(C)SCCC(=O)O MCULE-1434094352 [0,0,0,0,0,2|1,0,0]=3 3675 B8R0.28 CC(O)CCCC(=O)O MCULE-6696855762 [0,0,0,0,0,2|2,0,0]=4 3676 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2726508724 [0,0,0,0,0,2|0,0,0]=2 3677 B8R0.28 CN(C)C/C=C/C(=O)O MCULE-2945466855 [0,0,0,0,0,2|0,0,0]=2 3678 B8R0.28 CN(C)CC#CC(=O)O MCULE-3155038032 [0,0,0,0,0,2|0,0,0]=2 3679 B8R0.28 CN(C)CC#CC(=O)O MCULE-3234500613 [0,0,0,0,0,2|0,0,0]=2 3680 B8R0.28 CN(C)CC#CC(=O)[O-] MCULE-1783042987 [0,0,0,0,0,2|0,0,1]=3 3681 B8R0.28 CN(C)CC=CC(=O)O MCULE-5265576987 [0,0,0,0,0,2|0,0,0]=2 3682 B8R0.28 CN(C)CC=CC(=O)O MCULE-6262530852 [0,0,0,0,0,2|0,0,0]=2 3683 B8R0.28 CN(C)CCCC(=O)Cl MCULE-4211417336 [0,0,0,0,0,2|1,0,0]=3 3684 B8R0.28 CN(C)CCCC(=O)Cl MCULE-6854328742 [0,0,0,0,0,2|1,0,0]=3 3685 B8R0.28 CN(C)CCCC(=O)O MCULE-5562283434 [0,0,0,0,0,2|0,0,0]=2 3686 B8R0.28 CN(C)CCCC(=O)O MCULE-5657963851 [0,0,0,0,0,2|0,0,0]=2 3687 B8R0.28 CN(C)CCNC(=N)N MCULE-7208545071 [0,0,0,0,0,2|2,0,0]=4 3688 B8R0.28 CN(C)CCNC(=O)N MCULE-5420989663 [0,0,0,0,0,2|1,0,0]=3 3689 B8R0.28 CN(C)CCNC(=O)N MCULE-6784836791 [0,0,0,0,0,2|1,0,0]=3 3690 B8R0.28 CN(C)CCNC(=S)N MCULE-5710279007 [0,0,0,0,0,2|1,1,0]=4 3691 B8R0.28 CN(C)CCNC(=S)N MCULE-5969623703 [0,0,0,0,0,2|1,1,0]=4 3692 B8R0.28 CN(C)CCNC(=S)S MCULE-8976198252 [0,0,0,0,0,2|0,2,0]=4 3693 B8R0.28 CN(C)CCNC(=S)[S-] MCULE-8751915048 [0,0,0,0,0,2|0,2,0]=4 3694 B8R0.28 CN(C)CCSC(=N)N MCULE-6198414952 [0,0,0,0,0,2|2,0,0]=4 3695 B8R0.28 CN(C)CCSC(=N)N MCULE-7791127793 [0,0,0,0,0,2|2,0,0]=4 3696 B8R0.28 CN(C)CCSC(=N)N MCULE-9666429478 [0,0,0,0,0,2|2,0,0]=4