0 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,0,0,0,0,0|0,0,2]=2 1 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,0,0,0,0,0|2,0,0]=2 2 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [0,0,0,0,0,0|2,0,0]=2 3 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,0,0,0,0,0|0,0,2]=2 5 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [0,0,0,0,0,0|2,0,2]=4 6 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,0,0,0,0,0|1,0,2]=3 7 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,0,0,0,0,0|1,0,2]=3 8 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,0,0,0,0,0|1,0,2]=3 9 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,0,0,0,0,0|1,0,3]=4 10 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,0,0,0,0,0|3,0,0]=3 11 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,0,0,0,0,0|3,0,0]=3 12 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,0,0,0,0,0|3,0,0]=3 13 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,0,0,0,0,0|3,0,0]=3 14 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,0,0,0,0,0|3,0,0]=3 15 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,0,0,0,0,0|4,0,0]=4 16 B7R0.2 CC(C#N)NC(=O)N MCULE-6628848826 [0,0,0,0,0,0|3,0,1]=4 17 B7R0.2 CC(C)CC(C)CBr MCULE-6800285380 [0,0,0,0,0,0|3,0,1]=4 18 B7R0.2 CC(C)CC(C)CO MCULE-5856507691 [0,0,0,0,0,0|3,0,1]=4 19 B7R0.2 CC(CBr)CC(F)F MCULE-3122361238 [0,0,0,0,0,0|3,0,1]=4 20 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,0,0,0,0,0|2,0,0]=2 21 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,0,0,0,0,0|2,0,0]=2 22 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,0,0,0,0,0|2,0,0]=2 23 B7R0.2 CC(CCl)CN(C)C MCULE-4809914471 [0,0,0,0,0,0|4,0,0]=4 24 B7R0.2 CC(CCl)CN(C)C MCULE-7169724566 [0,0,0,0,0,0|4,0,0]=4 25 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,0,0,0,0,0|3,0,0]=3 26 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,0,0,0,0,0|1,0,0]=1 27 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,0,0,0,0,0|1,0,0]=1 28 B7R0.2 CC(CN)CC(F)F MCULE-2945792041 [0,0,0,0,0,0|3,0,1]=4 29 B7R0.2 CC(CN)CC(F)F MCULE-5449897456 [0,0,0,0,0,0|3,0,1]=4 30 B7R0.2 CC(CN)CN(C)C MCULE-4741402612 [0,0,0,0,0,0|4,0,0]=4 31 B7R0.2 CC(CO)CC(F)F MCULE-1470130605 [0,0,0,0,0,0|3,0,1]=4 32 B7R0.2 CC(CO)CN(C)C MCULE-3103307387 [0,0,0,0,0,0|4,0,0]=4 33 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [0,0,0,0,0,0|2,0,1]=3 34 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,0,0,0,0,0|0,0,2]=2 35 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,0,0,0,0,0|2,0,1]=3 36 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,0,0,0,0,0|1,0,1]=2 37 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,0,0,0,0,0|3,0,1]=4 38 B7R0.2 CCC(C)CB(O)O MCULE-4978906892 [0,0,0,0,0,0|1,0,1]=2 39 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [0,0,0,0,0,0|2,0,0]=2 40 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [0,0,0,0,0,0|2,0,0]=2 41 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,0,0,0,0,0|1,0,0]=1 42 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,0,0,0,0,0|1,0,0]=1 43 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,0,0,0,0,0|0,0,0]=0 44 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,0,0,0,0,0|0,0,0]=0 45 B7R0.2 CCC(C)CC(C)C MCULE-9492683095 [0,0,0,0,0,0|2,0,1]=3 46 B7R0.2 CCC(C)CC(C)N MCULE-2633957870 [0,0,0,0,0,0|2,0,1]=3 47 B7R0.2 CCC(C)CC(C)N MCULE-5740038174 [0,0,0,0,0,0|2,0,1]=3 48 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,0,0,0,0,0|2,0,0]=2 49 B7R0.2 CCC(C)NC(=S)N MCULE-8856391382 [0,0,0,0,0,0|2,1,0]=3 50 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,0,0,0,0,0|2,0,0]=2 51 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,0,0,0,0,0|2,0,0]=2 52 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,0,0,0,0,0|2,0,0]=2 53 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,0,0,0,0,0|1,0,0]=1 54 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,0,0,0,0,0|1,0,0]=1 55 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [0,0,0,0,0,0|2,0,1]=3 56 B7R0.2 CCC(N)CN(C)C MCULE-7794272438 [0,0,0,0,0,0|4,0,0]=4 57 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,0,0,0,0,0|2,0,0]=2 58 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,0,0,0,0,0|1,0,0]=1 59 B7R0.2 CCC(O)CC(C)O MCULE-3115543235 [0,0,0,0,0,0|2,0,1]=3 60 B7R0.2 CCC(O)CN(=O)=O MCULE-6965491054 [0,0,0,0,0,0|2,0,1]=3 61 B7R0.2 CCC(O)CN(C)C MCULE-5823673760 [0,0,0,0,0,0|4,0,0]=4 62 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,0,0,0,0,0|2,0,0]=2 63 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,0,0,0,0,0|2,0,0]=2 64 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,0,0,0,0,0|1,0,0]=1 65 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,0,0,0,0,0|2,0,0]=2 66 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,0,0,0,0,0|0,0,0]=0 67 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,0,0,0,0,0|0,0,0]=0 68 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,0,0,0,0,0|1,0,0]=1 69 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,0,0,0,0,0|1,0,0]=1 70 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,0,0,0,0,0|1,0,0]=1 71 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,0,0,0,0,0|1,0,0]=1 72 B7R0.2 CC[C@@H](N)CN(C)C MCULE-4272885891 [0,0,0,0,0,0|4,0,0]=4 73 B7R0.2 CC[C@@H](N)CN(C)C MCULE-8695009794 [0,0,0,0,0,0|4,0,0]=4 74 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,0,0,0,0,0|0,0,0]=0 75 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,0,0,0,0,0|0,0,0]=0 76 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,0,0,0,0,0|1,0,0]=1 77 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,0,0,0,0,0|1,0,0]=1 78 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,0,0,0,0,0|1,0,0]=1 79 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,0,0,0,0,0|1,0,0]=1 80 B7R0.2 CC[C@H](N)CN(C)C MCULE-4335497059 [0,0,0,0,0,0|4,0,0]=4 81 B7R0.2 CC[C@H](N)CN(C)C MCULE-5607250734 [0,0,0,0,0,0|4,0,0]=4 82 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,0,0,0,0,0|2,0,1]=3 83 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,0,0,0,0,0|3,0,0]=3 84 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,0,0,0,0,0|2,0,2]=4 85 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,0,0,0,0,0|3,0,1]=4 86 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,0,0,0,0,0|2,0,1]=3 87 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,0,0,0,0,0|2,0,0]=2 88 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,0,0,0,0,0|2,0,0]=2 89 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,0,0,0,0,0|1,0,0]=1 90 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,0,0,0,0,0|1,0,0]=1 91 B7R0.2 CNC(C)CC(C)C MCULE-4458579180 [0,0,0,0,0,0|3,0,1]=4 92 B7R0.2 CNC(C)CC(C)C MCULE-9768203107 [0,0,0,0,0,0|3,0,1]=4 93 B7R0.2 CNC(C)CS(=O)C MCULE-5598071425 [0,0,0,0,0,0|3,0,0]=3 94 B7R0.2 CO/C(=C/C(=O)O)/C MCULE-5031076713 [0,0,0,0,0,0|1,0,2]=3 95 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,0,0,0,0,0|2,0,2]=4 96 B7R0.2 COC(=CC(=O)O)C MCULE-2215306459 [0,0,0,0,0,0|1,0,2]=3 97 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,0,0,0,0,0|3,0,1]=4 98 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,0,0,0,0,0|3,0,1]=4 99 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,0,0,0,0,0|3,0,1]=4 100 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,0,0,0,0,0|2,0,1]=3 101 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,0,0,0,0,0|2,0,2]=4 102 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,0,0,0,0,0|1,0,0]=1 103 B7R0.2 COC(C)CC(C)O MCULE-3635789827 [0,0,0,0,0,0|2,0,1]=3 104 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,0,0,0,0,0|1,0,0]=1 105 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,0,0,0,0,0|1,0,0]=1 106 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,0,0,0,0,0|1,0,0]=1 107 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,0,0,0,0,0|3,0,1]=4 108 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,0,0,0,0,0|3,0,1]=4 109 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,0,0,0,0,0|2,0,0]=2 110 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,0,0,0,0,0|2,0,0]=2 111 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,0,0,0,0,0|2,0,0]=2 112 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,0,0,0,0,0|2,0,0]=2 113 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,0,0,0,0,0|2,0,0]=2 114 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,0,0,0,0,0|2,0,0]=2 115 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,0,0,0,0,0|3,0,0]=3 116 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,0,0,0,0,0|3,0,0]=3 117 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,0,0,0,0,0|2,0,0]=2 118 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,0,0,0,0,0|2,0,0]=2 119 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,0,0,0,0,0|2,0,0]=2 120 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,0,0,0,0,0|2,0,0]=2 121 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,0,0,0,0,0|2,0,0]=2 122 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,0,0,0,0,0|2,0,0]=2 123 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,0,0,0,0,0|2,0,0]=2 124 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,0,0,0,0,0|2,0,0]=2 125 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,0,0,0,0,0|2,0,0]=2 126 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,0,0,0,0,0|2,0,0]=2 127 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,0,0,0,0,0|2,0,0]=2 128 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,0,0,0,0,0|2,0,0]=2 129 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,0,0,0,0,0|3,0,1]=4 130 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,0,0,0,0,0|3,0,1]=4 131 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,0,0,0,0,0|2,0,1]=3 132 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,0,0,0,0,0|2,0,1]=3 133 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,0,0,0,0,0|2,0,0]=2 134 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,0,0,0,0,0|2,0,0]=2 135 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,0,0,0,0,0|2,0,1]=3 136 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,0,0,0,0,0|2,0,1]=3 137 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,0,0,0,0,0|3,0,1]=4 138 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,0,0,0,0,0|3,0,0]=3 139 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,0,0,0,0,0|2,0,1]=3 140 B6R0.1 C#CCC(C)CO MCULE-6139260605 [1,0,0,0,0,0|2,0,1]=4 141 B6R0.1 C#CCC(C)NC MCULE-1501548827 [1,0,0,0,0,0|2,0,1]=4 142 B6R0.1 C#CCC(C)NC MCULE-4715321546 [1,0,0,0,0,0|2,0,1]=4 143 B6R0.1 C#CCC(N)CC MCULE-4259544439 [1,0,0,0,0,0|2,0,1]=4 144 B6R0.1 C#CCC(O)CC MCULE-8783941008 [1,0,0,0,0,0|2,0,1]=4 145 B6R0.1 C#CCN(C)CC MCULE-4046146529 [1,0,0,0,0,0|2,0,1]=4 146 B6R0.1 C#CCN(C)CC MCULE-6846440848 [1,0,0,0,0,0|2,0,1]=4 147 B6R0.1 C=C(CC)CCO MCULE-5317656776 [1,0,0,0,0,0|0,0,3]=4 148 B6R0.1 C=CC(C)CCO MCULE-2890369298 [1,0,0,0,0,0|0,0,3]=4 149 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [1,0,0,0,0,0|2,0,1]=4 150 B6R0.1 C=CCC(C)CC MCULE-8680856865 [1,0,0,0,0,0|1,0,0]=2 151 B6R0.1 C=CCC(C)CO MCULE-9174943108 [1,0,0,0,0,0|2,0,0]=3 152 B6R0.1 C=CCC(N)CC MCULE-2309097248 [1,0,0,0,0,0|2,0,0]=3 153 B6R0.1 C=CCC(N)CC MCULE-8356954197 [1,0,0,0,0,0|2,0,0]=3 154 B6R0.1 C=CCC(N)CO MCULE-3854217705 [1,0,0,0,0,0|3,0,0]=4 155 B6R0.1 C=CCC(N)CO MCULE-6104194102 [1,0,0,0,0,0|3,0,0]=4 156 B6R0.1 C=CCC(N)CO MCULE-6473126335 [1,0,0,0,0,0|3,0,0]=4 157 B6R0.1 C=CCC(N)CO MCULE-8430673873 [1,0,0,0,0,0|3,0,0]=4 158 B6R0.1 C=CCC(O)CC MCULE-1497539816 [1,0,0,0,0,0|2,0,0]=3 159 B6R0.1 C=CCC(O)CN MCULE-8237489732 [1,0,0,0,0,0|3,0,0]=4 160 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [1,0,0,0,0,0|3,0,0]=4 161 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [1,0,0,0,0,0|3,0,0]=4 162 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [1,0,0,0,0,0|3,0,0]=4 163 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [1,0,0,0,0,0|3,0,0]=4 164 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [1,0,0,0,0,0|2,0,0]=3 165 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [1,0,0,0,0,0|2,0,1]=4 166 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [1,0,0,0,0,0|3,0,0]=4 167 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [1,0,0,0,0,0|3,0,0]=4 168 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [1,0,0,0,0,0|3,0,0]=4 169 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [1,0,0,0,0,0|3,0,0]=4 170 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [1,0,0,0,0,0|2,0,0]=3 171 B6R0.1 CC(CN)CCN MCULE-2719332037 [1,0,0,0,0,0|2,0,1]=4 172 B6R0.1 CC(CN)CCN MCULE-4200375624 [1,0,0,0,0,0|2,0,1]=4 173 B6R0.1 CC(CN)CCO MCULE-5515163518 [1,0,0,0,0,0|1,0,1]=3 174 B6R0.1 CC(CO)CCN MCULE-9900244005 [1,0,0,0,0,0|2,0,1]=4 175 B6R0.1 CC(CO)CCO MCULE-5240961149 [1,0,0,0,0,0|1,0,1]=3 176 B6R0.1 CC(CO)CCO MCULE-8678967805 [1,0,0,0,0,0|1,0,1]=3 177 B6R0.1 CCC(=CCO)C MCULE-5264054153 [1,0,0,0,0,0|0,0,3]=4 178 B6R0.1 CCC(Br)COC MCULE-7942540965 [1,0,0,0,0,0|3,0,0]=4 179 B6R0.1 CCC(C)C=NO MCULE-2829500970 [1,0,0,0,0,0|1,0,1]=3 180 B6R0.1 CCC(C)CC#N MCULE-8784266918 [1,0,0,0,0,0|1,0,1]=3 181 B6R0.1 CCC(C)CC=O MCULE-9143756592 [1,0,0,0,0,0|0,0,0]=1 182 B6R0.1 CCC(C)CCBr MCULE-6033010731 [1,0,0,0,0,0|1,0,1]=3 183 B6R0.1 CCC(C)CCCl MCULE-2069721626 [1,0,0,0,0,0|1,0,1]=3 184 B6R0.1 CCC(C)CCN MCULE-4140800594 [1,0,0,0,0,0|1,0,1]=3 185 B6R0.1 CCC(C)CCN MCULE-5509248218 [1,0,0,0,0,0|1,0,1]=3 186 B6R0.1 CCC(C)CCO MCULE-6482427735 [1,0,0,0,0,0|0,0,1]=2 187 B6R0.1 CCC(C)CNC MCULE-1998406301 [1,0,0,0,0,0|2,0,0]=3 188 B6R0.1 CCC(C)CNC MCULE-5957910094 [1,0,0,0,0,0|2,0,0]=3 189 B6R0.1 CCC(C)CON MCULE-7033012303 [1,0,0,0,0,0|2,0,0]=3 190 B6R0.1 CCC(C)N=C=O MCULE-4771945289 [1,0,0,0,0,0|1,0,1]=3 191 B6R0.1 CCC(C)N=C=S MCULE-7411656228 [1,0,0,0,0,0|1,1,1]=4 192 B6R0.1 CCC(C)NC=O MCULE-2197007756 [1,0,0,0,0,0|1,0,0]=2 193 B6R0.1 CCC(C)OC=O MCULE-9361787208 [1,0,0,0,0,0|1,0,0]=2 194 B6R0.1 CCC(C)SC#N MCULE-5870963705 [1,0,0,0,0,0|2,0,1]=4 195 B6R0.1 CCC(N)CC#N MCULE-9550652690 [1,0,0,0,0,0|2,0,1]=4 196 B6R0.1 CCC(N)CCN MCULE-8956610037 [1,0,0,0,0,0|2,0,1]=4 197 B6R0.1 CCC(N)CCO MCULE-1511155206 [1,0,0,0,0,0|1,0,1]=3 198 B6R0.1 CCC(N)CCO MCULE-5525302643 [1,0,0,0,0,0|1,0,1]=3 199 B6R0.1 CCC(N)COC MCULE-2103613859 [1,0,0,0,0,0|3,0,0]=4 200 B6R0.1 CCC(N)COC MCULE-5835446359 [1,0,0,0,0,0|3,0,0]=4 201 B6R0.1 CCC(N)CSC MCULE-9145513729 [1,0,0,0,0,0|3,0,0]=4 202 B6R0.1 CCC(O)CC#N MCULE-2542710031 [1,0,0,0,0,0|2,0,1]=4 203 B6R0.1 CCC(O)CCN MCULE-5387303971 [1,0,0,0,0,0|2,0,1]=4 204 B6R0.1 CCC(O)CCO MCULE-5156075792 [1,0,0,0,0,0|1,0,1]=3 205 B6R0.1 CCC(O)CNC MCULE-2490431367 [1,0,0,0,0,0|3,0,0]=4 206 B6R0.1 CCC(O)CNN MCULE-1038166714 [1,0,0,0,0,0|3,0,0]=4 207 B6R0.1 CCC(O)CNN MCULE-6391104058 [1,0,0,0,0,0|3,0,0]=4 208 B6R0.1 CCC(O)COC MCULE-6751000060 [1,0,0,0,0,0|3,0,0]=4 209 B6R0.1 CCC(O)CSC MCULE-3582683720 [1,0,0,0,0,0|3,0,0]=4 210 B6R0.1 CCC(S)CCO MCULE-4193788852 [1,0,0,0,0,0|1,0,1]=3 211 B6R0.1 CCCC(Br)CC MCULE-9116433502 [1,0,0,0,0,0|2,0,1]=4 212 B6R0.1 CCCC(C)CBr MCULE-3437352091 [1,0,0,0,0,0|2,0,1]=4 213 B6R0.1 CCCC(C)CC MCULE-7082933967 [1,0,0,0,0,0|1,0,1]=3 214 B6R0.1 CCCC(C)CCl MCULE-2381010454 [1,0,0,0,0,0|2,0,1]=4 215 B6R0.1 CCCC(C)CN MCULE-9552289739 [1,0,0,0,0,0|2,0,1]=4 216 B6R0.1 CCCC(C)CO MCULE-9777250826 [1,0,0,0,0,0|2,0,1]=4 217 B6R0.1 CCCC(C)NC MCULE-1560121168 [1,0,0,0,0,0|2,0,1]=4 218 B6R0.1 CCCC(C)NC MCULE-2169396338 [1,0,0,0,0,0|2,0,1]=4 219 B6R0.1 CCCC(Cl)CC MCULE-1581617529 [1,0,0,0,0,0|2,0,1]=4 220 B6R0.1 CCCC(N)CC MCULE-5349906741 [1,0,0,0,0,0|2,0,1]=4 221 B6R0.1 CCCC(N)CC MCULE-7172418373 [1,0,0,0,0,0|2,0,1]=4 222 B6R0.1 CCCC(O)CC MCULE-9504041935 [1,0,0,0,0,0|2,0,1]=4 223 B6R0.1 CCCC(S)CC MCULE-1322481338 [1,0,0,0,0,0|2,0,1]=4 224 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [1,0,0,0,0,0|2,0,1]=4 225 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [1,0,0,0,0,0|2,0,1]=4 226 B6R0.1 CCN(C)CCCl MCULE-4264927085 [1,0,0,0,0,0|2,0,1]=4 227 B6R0.1 CCN(C)CCCl MCULE-8125659652 [1,0,0,0,0,0|2,0,1]=4 228 B6R0.1 CCN(C)CCN MCULE-9503910262 [1,0,0,0,0,0|2,0,1]=4 229 B6R0.1 CCN(C)CCO MCULE-5519271145 [1,0,0,0,0,0|1,0,1]=3 230 B6R0.1 CCN(C)CCS MCULE-9974758531 [1,0,0,0,0,0|1,1,1]=4 231 B6R0.1 CCN(N)CCO MCULE-7988723724 [1,0,0,0,0,0|2,0,1]=4 232 B6R0.1 CCNC(C)CC MCULE-1017617081 [1,0,0,0,0,0|2,0,1]=4 233 B6R0.1 CCNC(C)CC MCULE-2691229640 [1,0,0,0,0,0|2,0,1]=4 234 B6R0.1 CCOC(C)CC MCULE-5049998907 [1,0,0,0,0,0|2,0,1]=4 235 B6R0.1 CCS(=O)CCO MCULE-8290368918 [1,0,0,0,0,0|2,0,1]=4 236 B6R0.1 CC[C@@H](N)CC#N MCULE-3694594576 [1,0,0,0,0,0|2,0,1]=4 237 B6R0.1 CC[C@@H](N)CC#N MCULE-9083117229 [1,0,0,0,0,0|2,0,1]=4 238 B6R0.1 CC[C@@H](N)COC MCULE-2231338404 [1,0,0,0,0,0|3,0,0]=4 239 B6R0.1 CC[C@@H](N)COC MCULE-2931188781 [1,0,0,0,0,0|3,0,0]=4 240 B6R0.1 CC[C@@H](N)COC MCULE-5773677141 [1,0,0,0,0,0|3,0,0]=4 241 B6R0.1 CC[C@@H](N)COC MCULE-5939905142 [1,0,0,0,0,0|3,0,0]=4 242 B6R0.1 CC[C@@H](O)CC#N MCULE-5921416613 [1,0,0,0,0,0|2,0,1]=4 243 B6R0.1 CC[C@@H](O)CC#N MCULE-8527710778 [1,0,0,0,0,0|2,0,1]=4 244 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [1,0,0,0,0,0|0,0,1]=2 245 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [1,0,0,0,0,0|0,0,1]=2 246 B6R0.1 CC[C@H](N)CC#N MCULE-9692545503 [1,0,0,0,0,0|2,0,1]=4 247 B6R0.1 CC[C@H](N)COC MCULE-1115072226 [1,0,0,0,0,0|3,0,0]=4 248 B6R0.1 CC[C@H](N)COC MCULE-3917835289 [1,0,0,0,0,0|3,0,0]=4 249 B6R0.1 CC[C@H](N)COC MCULE-8706423122 [1,0,0,0,0,0|3,0,0]=4 250 B6R0.1 CC[C@H](N)COC MCULE-9406311547 [1,0,0,0,0,0|3,0,0]=4 251 B6R0.1 CNC(C)CC#N MCULE-3748387165 [1,0,0,0,0,0|2,0,1]=4 252 B6R0.1 CNC(C)CCO MCULE-4722422254 [1,0,0,0,0,0|1,0,1]=3 253 B6R0.1 CNC(C)COC MCULE-6864731576 [1,0,0,0,0,0|3,0,0]=4 254 B6R0.1 CNC(C)COC MCULE-9135013355 [1,0,0,0,0,0|3,0,0]=4 255 B6R0.1 CNC(C)CSC MCULE-8293407208 [1,0,0,0,0,0|3,0,0]=4 256 B6R0.1 CNCC(C)CN MCULE-1889673811 [1,0,0,0,0,0|3,0,0]=4 257 B6R0.1 CNCC(C)CO MCULE-6329429747 [1,0,0,0,0,0|3,0,0]=4 258 B6R0.1 CNCC(C)OC MCULE-6977139114 [1,0,0,0,0,0|3,0,0]=4 259 B6R0.1 CNCC(C)OC MCULE-8216810034 [1,0,0,0,0,0|3,0,0]=4 260 B6R0.1 COC(=O)CC=O MCULE-6624474559 [1,0,0,0,0,0|2,0,1]=4 261 B6R0.1 COC(C)CC=O MCULE-7243333697 [1,0,0,0,0,0|1,0,0]=2 262 B6R0.1 COC(C)CCN MCULE-8081876282 [1,0,0,0,0,0|2,0,1]=4 263 B6R0.1 COC(C)CCN MCULE-8892057529 [1,0,0,0,0,0|2,0,1]=4 264 B6R0.1 COC(C)CCO MCULE-7396381165 [1,0,0,0,0,0|1,0,1]=3 265 B6R0.1 COCC(C)CN MCULE-3223901774 [1,0,0,0,0,0|3,0,0]=4 266 B6R0.1 COCC(C)CO MCULE-7663064542 [1,0,0,0,0,0|3,0,0]=4 267 B6R0.1 COCC(C)OC MCULE-1583498700 [1,0,0,0,0,0|3,0,0]=4 268 B6R0.1 COC[C@H](C)CO MCULE-3120475252 [1,0,0,0,0,0|3,0,0]=4 269 B6R0.1 CSC(C)CC=O MCULE-9433914892 [1,0,0,0,0,0|1,0,0]=2 270 B6R0.1 CSC(C)CCN MCULE-5474458753 [1,0,0,0,0,0|2,0,1]=4 271 B6R0.1 CSC(C)CCO MCULE-4317600086 [1,0,0,0,0,0|1,0,1]=3 272 B6R0.1 CSCC(C)CN MCULE-4493405290 [1,0,0,0,0,0|3,0,0]=4 273 B6R0.1 CSCC(C)CO MCULE-3842820579 [1,0,0,0,0,0|3,0,0]=4 274 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [1,0,0,0,0,0|2,0,1]=4 275 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [1,0,0,0,0,0|2,0,1]=4 276 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [1,0,0,0,0,0|1,0,1]=3 277 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [1,0,0,0,0,0|1,0,1]=3 278 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [1,0,0,0,0,0|1,0,1]=3 279 B6R0.1 NC(CO)CCO MCULE-3703088648 [1,0,0,0,0,0|2,0,1]=4 280 B6R0.1 NC(CO)CCO MCULE-7609576462 [1,0,0,0,0,0|2,0,1]=4 281 B6R0.1 NCC(N)CCO MCULE-2965554481 [1,0,0,0,0,0|2,0,1]=4 282 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [1,0,0,0,0,0|2,0,1]=4 283 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [1,0,0,0,0,0|2,0,1]=4 284 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [1,0,0,0,0,0|2,0,1]=4 285 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [1,0,0,0,0,0|2,0,1]=4 286 B6R0.1 O=CC[C@H](O)CCl MCULE-6385696769 [1,0,0,0,0,0|2,0,0]=3 287 B6R0.1 OCCC(O)CCl MCULE-4752952606 [1,0,0,0,0,0|2,0,1]=4 288 B6R0.1 OCCC(O)CO MCULE-6470178852 [1,0,0,0,0,0|2,0,1]=4 289 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [1,0,0,0,0,0|2,0,1]=4 290 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [1,0,0,0,0,0|2,0,1]=4 291 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [1,0,0,0,0,0|2,0,1]=4 292 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [1,0,0,0,0,0|2,0,1]=4 293 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [1,0,0,0,0,0|2,0,1]=4 294 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [1,0,0,0,0,0|2,0,1]=4 295 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [1,0,0,0,0,0|2,0,1]=4 296 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [1,0,0,0,0,0|2,0,1]=4 297 B6R0.1 [C@@H](N)(CC)CC#N MCULE-3832898190 [1,0,0,0,0,0|2,0,1]=4 298 B6R0.1 [C@H](N)(CC)CC#N MCULE-3962570164 [1,0,0,0,0,0|2,0,1]=4 299 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [1,0,0,0,0,0|1,0,2]=4 300 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [1,0,0,0,0,0|0,0,2]=3 301 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [1,0,0,0,0,0|2,0,0]=3 302 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [1,0,0,0,0,0|3,0,0]=4 303 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [1,0,0,0,0,0|3,0,0]=4 304 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [1,0,0,0,0,0|1,0,2]=4 305 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [1,0,0,0,0,0|1,0,2]=4 306 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [1,0,0,0,0,0|1,0,2]=4 307 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [1,0,0,0,0,0|0,0,2]=3 308 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [1,0,0,0,0,0|1,0,2]=4 309 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [1,0,0,0,0,0|1,0,2]=4 310 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [1,0,0,0,0,0|1,0,2]=4 311 B6R0.2 CC(=CC(C)C)C MCULE-5460531772 [1,0,0,0,0,0|2,0,1]=4 312 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [1,0,0,0,0,0|2,0,1]=4 313 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [1,0,0,0,0,0|3,0,0]=4 314 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [1,0,0,0,0,0|1,0,2]=4 315 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,0,0,0,0,0|2,0,1]=4 316 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [1,0,0,0,0,0|2,0,1]=4 317 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [1,0,0,0,0,0|1,0,1]=3 318 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [1,0,0,0,0,0|1,0,2]=4 319 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [1,0,0,0,0,0|1,0,2]=4 320 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [1,0,0,0,0,0|1,0,0]=2 321 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [1,0,0,0,0,0|2,0,0]=3 322 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [1,0,0,0,0,0|2,0,0]=3 323 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,0,0,0,0,0|2,0,0]=3 324 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [1,0,0,0,0,0|2,0,0]=3 325 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [1,0,0,0,0,0|2,0,0]=3 326 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [1,0,0,0,0,0|2,0,0]=3 327 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [1,0,0,0,0,0|2,0,0]=3 328 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [1,0,0,0,0,0|3,0,0]=4 329 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [1,0,0,0,0,0|3,0,0]=4 330 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [1,0,0,0,0,0|3,0,0]=4 331 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [1,0,0,0,0,0|2,0,0]=3 332 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [1,0,0,0,0,0|3,0,0]=4 333 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,0,0,0,0,0|1,0,0]=2 334 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [1,0,0,0,0,0|2,1,0]=4 335 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [1,0,0,0,0,0|1,0,1]=3 336 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [1,0,0,0,0,0|2,0,0]=3 337 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [1,0,0,0,0,0|2,0,0]=3 338 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [1,0,0,0,0,0|2,0,0]=3 339 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [1,0,0,0,0,0|1,0,0]=2 340 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [1,0,0,0,0,0|1,0,0]=2 341 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,0,0,0,0,0|0,0,0]=1 342 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [1,0,0,0,0,0|1,1,0]=3 343 B6R0.2 CC(C)CC(C)Br MCULE-1549882864 [1,0,0,0,0,0|2,0,1]=4 344 B6R0.2 CC(C)CC(C)C MCULE-1646863110 [1,0,0,0,0,0|2,0,1]=4 345 B6R0.2 CC(C)CC(C)I MCULE-6965017338 [1,0,0,0,0,0|2,0,1]=4 346 B6R0.2 CC(C)CC(C)N MCULE-1144229692 [1,0,0,0,0,0|2,0,1]=4 347 B6R0.2 CC(C)CC(C)N MCULE-5992377656 [1,0,0,0,0,0|2,0,1]=4 348 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [1,0,0,0,0,0|1,0,1]=3 349 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [1,0,0,0,0,0|1,0,1]=3 350 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [1,0,0,0,0,0|1,0,1]=3 351 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [1,0,0,0,0,0|1,0,1]=3 352 B6R0.2 CC(C)C[C@@H](C)N MCULE-5902933285 [1,0,0,0,0,0|2,0,1]=4 353 B6R0.2 CC(C)C[C@@H](C)N MCULE-7208228535 [1,0,0,0,0,0|2,0,1]=4 354 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [1,0,0,0,0,0|1,0,1]=3 355 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [1,0,0,0,0,0|1,0,1]=3 356 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [1,0,0,0,0,0|3,0,0]=4 357 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [1,0,0,0,0,0|3,0,0]=4 358 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [1,0,0,0,0,0|3,0,0]=4 359 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [1,0,0,0,0,0|3,0,0]=4 360 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [1,0,0,0,0,0|2,0,0]=3 361 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [1,0,0,0,0,0|2,1,0]=4 362 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [1,0,0,0,0,0|3,0,0]=4 363 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [1,0,0,0,0,0|3,0,0]=4 364 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [1,0,0,0,0,0|2,0,0]=3 365 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [1,0,0,0,0,0|2,0,0]=3 366 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [1,0,0,0,0,0|1,2,0]=4 367 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [1,0,0,0,0,0|1,2,0]=4 368 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [1,0,0,0,0,0|1,2,0]=4 369 B6R0.2 CC(C)ON(=O)=O MCULE-8820340461 [1,0,0,0,0,0|2,0,1]=4 370 B6R0.2 CC(C)SC(=N)N MCULE-1974434339 [1,0,0,0,0,0|3,0,0]=4 371 B6R0.2 CC(C)SC(=N)N MCULE-3570639733 [1,0,0,0,0,0|3,0,0]=4 372 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [1,0,0,0,0,0|2,0,0]=3 373 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [1,0,0,0,0,0|2,0,0]=3 374 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,0,0,0,0,0|1,0,0]=2 375 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [1,0,0,0,0,0|3,0,0]=4 376 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,0,0,0,0,0|1,0,0]=2 377 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [1,0,0,0,0,0|2,0,0]=3 378 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [1,0,0,0,0,0|2,0,0]=3 379 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,0,0,0,0,0|1,0,0]=2 380 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,0,0,0,0,0|1,0,0]=2 381 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,0,0,0,0,0|1,0,0]=2 382 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,0,0,0,0,0|1,0,0]=2 383 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [1,0,0,0,0,0|2,0,1]=4 384 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [1,0,0,0,0,0|3,0,0]=4 385 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [1,0,0,0,0,0|2,0,0]=3 386 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,0,0,0,0,0|1,0,0]=2 387 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,0,0,0,0,0|1,0,0]=2 388 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,0,0,0,0,0|1,0,1]=3 389 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,0,0,0,0,0|1,0,1]=3 390 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [1,0,0,0,0,0|2,0,1]=4 391 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [1,0,0,0,0,0|2,0,1]=4 392 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [1,0,0,0,0,0|2,0,1]=4 393 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [1,0,0,0,0,0|2,0,1]=4 394 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [1,0,0,0,0,0|3,0,0]=4 395 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [1,0,0,0,0,0|2,0,0]=3 396 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [1,0,0,0,0,0|2,0,0]=3 397 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [1,0,0,0,0,0|2,0,0]=3 398 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [1,0,0,0,0,0|1,0,0]=2 399 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [1,0,0,0,0,0|1,0,0]=2 400 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [1,0,0,0,0,0|1,0,1]=3 401 B6R0.2 CN(C)CC(=S)N MCULE-3863789639 [1,0,0,0,0,0|2,1,0]=4 402 B6R0.2 CN(C)CC(=S)N MCULE-8756068308 [1,0,0,0,0,0|2,1,0]=4 403 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [1,0,0,0,0,0|3,0,0]=4 404 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,0,0,0,0,0|1,0,0]=2 405 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,0,0,0,0,0|1,0,0]=2 406 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,0,0,0,0,0|1,0,0]=2 407 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,0,0,0,0,0|1,0,0]=2 408 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,0,0,0,0,0|1,0,0]=2 409 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,0,0,0,0,0|1,0,0]=2 410 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,0,0,0,0,0|1,0,1]=3 411 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,0,0,0,0,0|1,0,1]=3 412 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [1,0,0,0,0,0|2,0,1]=4 413 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [1,0,0,0,0,0|2,0,1]=4 414 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [1,0,0,0,0,0|2,0,1]=4 415 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [1,0,0,0,0,0|2,0,1]=4 416 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [1,0,0,0,0,0|2,0,1]=4 417 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,0,0,0,0,0|1,0,0]=2 418 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,0,0,0,0,0|1,0,0]=2 419 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,0,0,0,0,0|1,0,0]=2 420 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,0,0,0,0,0|1,0,0]=2 421 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,0,0,0,0,0|1,0,0]=2 422 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,0,0,0,0,0|1,0,0]=2 423 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,0,0,0,0,0|1,0,0]=2 424 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,0,0,0,0,0|1,0,0]=2 425 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,0,0,0,0,0|1,0,1]=3 426 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,0,0,0,0,0|1,0,1]=3 427 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [1,0,0,0,0,0|2,0,1]=4 428 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [1,0,0,0,0,0|2,0,1]=4 429 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [1,0,0,0,0,0|2,0,1]=4 430 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [1,0,0,0,0,0|2,0,1]=4 431 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [1,0,0,0,0,0|1,0,1]=3 432 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [1,0,0,0,0,0|1,0,1]=3 433 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [1,0,0,0,0,0|2,0,1]=4 434 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [1,0,0,0,0,0|2,0,0]=3 435 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [1,0,0,0,0,0|2,0,0]=3 436 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [1,0,0,0,0,0|3,0,0]=4 437 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [1,0,0,0,0,0|2,0,1]=4 438 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [1,0,0,0,0,0|2,0,0]=3 439 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [1,0,0,0,0,0|3,0,0]=4 440 B6R0.2 P(=O)([O-])OC(C)C MCULE-5865480150 [1,0,0,0,0,0|2,0,1]=4 441 B6R0.2 P(=O)([O-])OC(C)C MCULE-7393903455 [1,0,0,0,0,0|2,0,1]=4 442 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,0,0,0,0,0|1,0,2]=4 443 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [1,0,0,0,0,0|1,0,2]=4 444 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [1,0,0,0,0,0|1,0,2]=4 445 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [1,0,0,0,0,0|0,0,2]=3 446 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [1,0,0,0,0,0|0,0,3]=4 447 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,0,0,0,0,0|1,0,2]=4 448 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,0,0,0,0,0|1,0,2]=4 449 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,0,0,0,0,0|0,0,2]=3 450 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,0,0,0,0,0|3,0,0]=4 451 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,0,0,0,0,0|2,0,0]=3 452 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,0,0,0,0,0|3,0,0]=4 453 B6R0.4 C=C(C)CNCC MCULE-2237759977 [1,0,0,0,0,0|3,0,0]=4 454 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [1,0,0,0,0,0|3,0,0]=4 455 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,0,0,0,0,0|3,0,0]=4 456 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [1,0,0,0,0,0|0,0,3]=4 457 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,0,0,0,0,0|1,0,2]=4 458 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [1,0,0,0,0,0|1,0,2]=4 459 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [1,0,0,0,0,0|1,0,2]=4 460 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [1,0,0,0,0,0|0,0,2]=3 461 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [1,0,0,0,0,0|1,0,2]=4 462 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [1,0,0,0,0,0|0,0,2]=3 463 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,0,0,0,0,0|2,0,1]=4 464 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,0,0,0,0,0|2,0,1]=4 465 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,0,0,0,0,0|2,0,0]=3 466 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,0,0,0,0,0|2,0,0]=3 467 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,0,0,0,0,0|2,0,0]=3 468 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,0,0,0,0,0|3,0,0]=4 469 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,0,0,0,0,0|3,0,0]=4 470 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,0,0,0,0,0|3,0,0]=4 471 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,0,0,0,0,0|3,0,0]=4 472 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,0,0,0,0,0|3,0,0]=4 473 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,0,0,0,0,0|3,0,0]=4 474 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,0,0,0,0,0|3,0,0]=4 475 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,0,0,0,0,0|3,0,0]=4 476 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,0,0,0,0,0|3,0,0]=4 477 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,0,0,0,0,0|3,0,0]=4 478 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,0,0,0,0,0|3,0,0]=4 479 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,0,0,0,0,0|3,0,0]=4 480 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,0,0,0,0,0|3,0,0]=4 481 B6R0.4 CC(O)CCCBr MCULE-5477662754 [1,0,0,0,0,0|2,0,1]=4 482 B6R0.4 CC(O)CCCCl MCULE-6993728810 [1,0,0,0,0,0|2,0,1]=4 483 B6R0.4 CC(O)CCCN MCULE-3754805134 [1,0,0,0,0,0|2,0,1]=4 484 B6R0.4 CC(O)CCCO MCULE-6580326052 [1,0,0,0,0,0|2,0,1]=4 485 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,0,0,0,0,0|1,0,2]=4 486 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,0,0,0,0,0|0,0,2]=3 487 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,0,0,0,0,0|0,0,2]=3 488 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [1,0,0,0,0,0|1,0,2]=4 489 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,0,0,0,0,0|0,0,2]=3 490 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,0,0,0,0,0|1,0,2]=4 491 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,0,0,0,0,0|1,0,2]=4 492 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,0,0,0,0,0|0,0,2]=3 493 B6R0.4 CCCC=C(C)C MCULE-2110588796 [1,0,0,0,0,0|2,0,1]=4 494 B6R0.4 CCCCB(O)O MCULE-9002672645 [1,0,0,0,0,0|1,0,1]=3 495 B6R0.4 CCCCC(=N)N MCULE-3271993509 [1,0,0,0,0,0|2,0,0]=3 496 B6R0.4 CCCCC(=N)N MCULE-3935017760 [1,0,0,0,0,0|2,0,0]=3 497 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,0,0,0,0,0|1,0,0]=2 498 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,0,0,0,0,0|1,0,0]=2 499 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,0,0,0,0,0|1,0,0]=2 500 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,0,0,0,0,0|1,0,0]=2 501 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,0,0,0,0,0|0,0,0]=1 502 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,0,0,0,0,0|0,0,1]=2 503 B6R0.4 CCCCC(=S)N MCULE-8236760762 [1,0,0,0,0,0|1,1,0]=3 504 B6R0.4 CCCCC(C)Br MCULE-3252474574 [1,0,0,0,0,0|2,0,1]=4 505 B6R0.4 CCCCC(C)C MCULE-7568461039 [1,0,0,0,0,0|2,0,1]=4 506 B6R0.4 CCCCC(C)Cl MCULE-4825682003 [1,0,0,0,0,0|2,0,1]=4 507 B6R0.4 CCCCC(C)N MCULE-5349371506 [1,0,0,0,0,0|2,0,1]=4 508 B6R0.4 CCCCC(C)N MCULE-6696490028 [1,0,0,0,0,0|2,0,1]=4 509 B6R0.4 CCCCC(C)O MCULE-6558228722 [1,0,0,0,0,0|1,0,1]=3 510 B6R0.4 CCCCC(C)S MCULE-4791681848 [1,0,0,0,0,0|1,1,1]=4 511 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [1,0,0,0,0,0|1,0,1]=3 512 B6R0.4 CCCCN(C)C MCULE-7202077639 [1,0,0,0,0,0|3,0,0]=4 513 B6R0.4 CCCCN(C)N MCULE-7927159797 [1,0,0,0,0,0|3,0,0]=4 514 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [1,0,0,0,0,0|1,0,1]=3 515 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [1,0,0,0,0,0|1,0,1]=3 516 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [1,0,0,0,0,0|2,0,1]=4 517 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [1,0,0,0,0,0|2,0,1]=4 518 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [1,0,0,0,0,0|1,0,1]=3 519 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [1,0,0,0,0,0|1,0,1]=3 520 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [1,0,0,0,0,0|2,0,1]=4 521 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [1,0,0,0,0,0|2,0,1]=4 522 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [1,0,0,0,0,0|1,0,1]=3 523 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [1,0,0,0,0,0|1,0,1]=3 524 B6R0.4 CCCNC(=N)N MCULE-6381843991 [1,0,0,0,0,0|3,0,0]=4 525 B6R0.4 CCCNC(=N)N MCULE-8286774592 [1,0,0,0,0,0|3,0,0]=4 526 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,0,0,0,0,0|2,0,0]=3 527 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,0,0,0,0,0|2,0,0]=3 528 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,0,0,0,0,0|2,0,0]=3 529 B6R0.4 CCCNC(=S)N MCULE-3142756488 [1,0,0,0,0,0|2,1,0]=4 530 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,0,0,0,0,0|2,0,0]=3 531 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,0,0,0,0,0|2,0,0]=3 532 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,0,0,0,0,0|2,0,0]=3 533 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [1,0,0,0,0,0|1,2,0]=4 534 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [1,0,0,0,0,0|1,2,0]=4 535 B6R0.4 CCCON(=O)=O MCULE-3372904250 [1,0,0,0,0,0|2,0,1]=4 536 B6R0.4 CCCSC(=N)N MCULE-4777505658 [1,0,0,0,0,0|3,0,0]=4 537 B6R0.4 CCCSC(=N)N MCULE-8873393921 [1,0,0,0,0,0|3,0,0]=4 538 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,0,0,0,0,0|2,0,0]=3 539 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,0,0,0,0,0|2,0,0]=3 540 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [1,0,0,0,0,0|3,0,0]=4 541 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,0,0,0,0,0|2,0,0]=3 542 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,0,0,0,0,0|2,0,0]=3 543 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,0,0,0,0,0|2,0,0]=3 544 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,0,0,0,0,0|2,0,0]=3 545 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,0,0,0,0,0|1,0,0]=2 546 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,0,0,0,0,0|1,0,0]=2 547 B6R0.4 CCNCC(C)O MCULE-5078068369 [1,0,0,0,0,0|2,0,1]=4 548 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [1,0,0,0,0,0|2,0,1]=4 549 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [1,0,0,0,0,0|2,0,1]=4 550 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [1,0,0,0,0,0|2,0,1]=4 551 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [1,0,0,0,0,0|2,0,1]=4 552 B6R0.4 CCOCC(=N)N MCULE-3232806707 [1,0,0,0,0,0|3,0,0]=4 553 B6R0.4 CCOCC(=N)N MCULE-4996987536 [1,0,0,0,0,0|3,0,0]=4 554 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,0,0,0,0,0|2,0,0]=3 555 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,0,0,0,0,0|2,0,0]=3 556 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,0,0,0,0,0|1,0,0]=2 557 B6R0.4 CCOCC(=S)N MCULE-7064672670 [1,0,0,0,0,0|2,1,0]=4 558 B6R0.4 CCOCC(C)O MCULE-6224339526 [1,0,0,0,0,0|2,0,1]=4 559 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [1,0,0,0,0,0|2,0,1]=4 560 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,0,0,0,0,0|2,0,0]=3 561 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,0,0,0,0,0|1,0,0]=2 562 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,0,0,0,0,0|2,0,0]=3 563 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,0,0,0,0,0|2,0,0]=3 564 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,0,0,0,0,0|1,0,0]=2 565 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,0,0,0,0,0|1,0,0]=2 566 B6R0.4 CNCCC(C)O MCULE-1615526002 [1,0,0,0,0,0|2,0,1]=4 567 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,0,0,0,0,0|1,0,2]=4 568 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,0,0,0,0,0|1,0,2]=4 569 B6R0.4 COCCC(=N)N MCULE-8118559492 [1,0,0,0,0,0|3,0,0]=4 570 B6R0.4 COCCC(=N)N MCULE-9000138086 [1,0,0,0,0,0|3,0,0]=4 571 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,0,0,0,0,0|2,0,0]=3 572 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,0,0,0,0,0|2,0,0]=3 573 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,0,0,0,0,0|2,0,0]=3 574 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,0,0,0,0,0|1,0,0]=2 575 B6R0.4 COCCC(C)O MCULE-6536001437 [1,0,0,0,0,0|2,0,1]=4 576 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,0,0,0,0,0|3,0,0]=4 577 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,0,0,0,0,0|3,0,0]=4 578 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,0,0,0,0,0|2,0,1]=4 579 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,0,0,0,0,0|3,0,0]=4 580 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,0,0,0,0,0|3,0,0]=4 581 B6R0.4 CSCCC(=N)N MCULE-3926353306 [1,0,0,0,0,0|3,0,0]=4 582 B6R0.4 CSCCC(=N)N MCULE-4451485733 [1,0,0,0,0,0|3,0,0]=4 583 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,0,0,0,0,0|2,0,0]=3 584 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,0,0,0,0,0|2,0,0]=3 585 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,0,0,0,0,0|2,0,0]=3 586 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,0,0,0,0,0|1,0,0]=2 587 B6R0.4 CSCCC(C)O MCULE-5934844952 [1,0,0,0,0,0|2,0,1]=4 588 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,0,0,0,0,0|3,0,0]=4 589 B6R0.4 CSSCC(=O)O MCULE-5829510166 [1,0,0,0,0,0|2,0,0]=3 590 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [1,0,0,0,0,0|2,0,1]=4 591 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [1,0,0,0,0,0|1,0,1]=3 592 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [1,0,0,0,0,0|2,0,1]=4 593 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [1,0,0,0,0,0|3,0,0]=4 594 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,0,0,0,0,0|2,0,0]=3 595 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,0,0,0,0,0|2,0,0]=3 596 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,0,0,0,0,0|3,0,0]=4 597 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,0,0,0,0,0|3,0,0]=4 598 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,0,0,0,0,0|3,0,0]=4 599 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,0,0,0,0,0|3,0,0]=4 600 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,0,0,0,0,0|3,0,0]=4 601 B6R0.4 NC(=S)CCCO MCULE-8951145487 [1,0,0,0,0,0|2,1,0]=4 602 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,0,0,0,0,0|1,0,2]=4 603 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [1,0,0,0,0,0|1,0,2]=4 604 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,0,0,0,0,0|1,0,2]=4 605 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,0,0,0,0,0|1,0,2]=4 606 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,0,0,0,0,0|2,0,0]=3 607 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,0,0,0,0,0|2,0,0]=3 608 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,0,0,0,0,0|2,0,0]=3 609 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,0,0,0,0,0|2,0,0]=3 610 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,0,0,0,0,0|1,0,0]=2 611 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,0,0,0,0,0|1,0,0]=2 612 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,0,0,0,0,0|3,0,0]=4 613 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,0,0,0,0,0|3,0,0]=4 614 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,0,0,0,0,0|3,0,0]=4 615 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,0,0,0,0,0|3,0,0]=4 616 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,0,0,0,0,0|3,0,0]=4 617 B6R0.4 NOCCC(=O)O MCULE-1529492904 [1,0,0,0,0,0|2,0,0]=3 618 B6R0.4 NOCCC(=O)O MCULE-6297331357 [1,0,0,0,0,0|2,0,0]=3 619 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,0,0,0,0,0|2,0,0]=3 620 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,0,0,0,0,0|2,0,0]=3 621 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,0,0,0,0,0|3,0,0]=4 622 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,0,0,0,0,0|3,0,0]=4 623 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,0,0,0,0,0|3,0,0]=4 624 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,0,0,0,0,0|1,0,2]=4 625 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,0,0,0,0,0|1,0,2]=4 626 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,0,0,0,0,0|1,0,2]=4 627 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [1,0,0,0,0,0|1,0,2]=4 628 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [1,0,0,0,0,0|1,0,2]=4 629 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [1,0,0,0,0,0|1,0,2]=4 630 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,0,0,0,0,0|1,0,2]=4 631 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,0,0,0,0,0|1,0,2]=4 632 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,0,0,0,0,0|1,0,2]=4 633 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,0,0,0,0,0|1,0,0]=2 634 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,0,0,0,0,0|1,0,0]=2 635 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,0,0,0,0,0|1,0,0]=2 636 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,0,0,0,0,0|1,0,0]=2 637 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,0,0,0,0,0|1,0,0]=2 638 B6R0.4 O=C(O)CNCO MCULE-4092998319 [1,0,0,0,0,0|2,0,0]=3 639 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,0,0,0,0,0|1,0,1]=3 640 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [1,0,0,0,0,0|2,0,1]=4 641 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [1,0,0,0,0,0|1,0,1]=3 642 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [1,0,0,0,0,0|2,0,1]=4 643 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [1,0,0,0,0,0|2,0,1]=4 644 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [1,0,0,0,0,0|2,0,1]=4 645 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [1,0,0,0,0,0|2,0,1]=4 646 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [1,0,0,0,0,0|2,0,1]=4 647 B8R0.2 C=CC(C)C(C)C(=O)O MCULE-6762624939 [0,1,0,0,0,0|0,0,2]=3 648 B8R0.2 CC(=O)C(O)C(O)CO MCULE-1853649042 [0,1,0,0,0,0|3,0,0]=4 649 B8R0.2 CC(=O)[C@@H](O)[C@H](O)CO MCULE-9565941206 [0,1,0,0,0,0|3,0,0]=4 650 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,1,0,0,0,0|1,0,1]=3 651 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,1,0,0,0,0|0,0,1]=2 652 B8R0.2 CCC(C)C(=O)C(=O)[O-] MCULE-9099284149 [0,1,0,0,0,0|0,0,2]=3 653 B8R0.2 CCC(C)C(Br)C(=O)O MCULE-1124609284 [0,1,0,0,0,0|0,0,0]=1 654 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [0,1,0,0,0,0|1,0,0]=2 655 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,1,0,0,0,0|0,0,0]=1 656 B8R0.2 CCC(C)C(C)C(C)O MCULE-2099710154 [0,1,0,0,0,0|1,0,1]=3 657 B8R0.2 CCC(C)C(N)C(=O)N MCULE-7314175276 [0,1,0,0,0,0|1,0,0]=2 658 B8R0.2 CCC(C)C(N)C(=O)N MCULE-8895055670 [0,1,0,0,0,0|1,0,0]=2 659 B8R0.2 CCC(C)C(N)C(=O)O MCULE-9861955295 [0,1,0,0,0,0|0,0,0]=1 660 B8R0.2 CCC(C)C(O)C(=O)N MCULE-2649023234 [0,1,0,0,0,0|1,0,0]=2 661 B8R0.2 CCC(C)C(O)C(=O)O MCULE-4300622531 [0,1,0,0,0,0|0,0,0]=1 662 B8R0.2 CCC(C)C(O)C(C)C MCULE-1108508487 [0,1,0,0,0,0|2,0,1]=4 663 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,1,0,0,0,0|1,0,0]=2 664 B8R0.2 CCC(O)C(N)C(=O)O MCULE-5277569808 [0,1,0,0,0,0|1,0,0]=2 665 B8R0.2 CCC(O)[C@H](N)C(=O)O MCULE-7480930876 [0,1,0,0,0,0|1,0,0]=2 666 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,1,0,0,0,0|1,0,0]=2 667 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,1,0,0,0,0|1,0,0]=2 668 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-1413119398 [0,1,0,0,0,0|0,0,0]=1 669 B8R0.2 CC[C@@H](C)[C@@H](N)C(=O)O MCULE-5186925599 [0,1,0,0,0,0|0,0,0]=1 670 B8R0.2 CC[C@@H](C)[C@H](Br)C(=O)O MCULE-5041492133 [0,1,0,0,0,0|0,0,0]=1 671 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-2706440971 [0,1,0,0,0,0|0,0,0]=1 672 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O MCULE-8101207882 [0,1,0,0,0,0|0,0,0]=1 673 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1048734191 [0,1,0,0,0,0|1,0,0]=2 674 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-1935827385 [0,1,0,0,0,0|1,0,0]=2 675 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-8753855708 [0,1,0,0,0,0|1,0,0]=2 676 B8R0.2 CC[C@@H](O)[C@H](N)C(=O)O MCULE-9854510560 [0,1,0,0,0,0|1,0,0]=2 677 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1200159118 [0,1,0,0,0,0|0,0,0]=1 678 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-1359318144 [0,1,0,0,0,0|0,0,0]=1 679 B8R0.2 CC[C@H](C)[C@@H](N)C(=O)O MCULE-9629903099 [0,1,0,0,0,0|0,0,0]=1 680 B8R0.2 CC[C@H](C)[C@@H](O)C(=O)O MCULE-6017510763 [0,1,0,0,0,0|0,0,0]=1 681 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-1760352503 [0,1,0,0,0,0|0,0,0]=1 682 B8R0.2 CC[C@H](C)[C@H](Cl)C(=O)O MCULE-2341573677 [0,1,0,0,0,0|0,0,0]=1 683 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-3415036603 [0,1,0,0,0,0|1,0,0]=2 684 B8R0.2 CC[C@H](C)[C@H](N)C(=O)N MCULE-9677139342 [0,1,0,0,0,0|1,0,0]=2 685 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-2215911951 [0,1,0,0,0,0|0,0,0]=1 686 B8R0.2 CC[C@H](C)[C@H](N)C(=O)O MCULE-3217669453 [0,1,0,0,0,0|0,0,0]=1 687 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-2804875804 [0,1,0,0,0,0|0,0,0]=1 688 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-4272353967 [0,1,0,0,0,0|0,0,0]=1 689 B8R0.2 CC[C@H](C)[C@H](O)C(=O)O MCULE-6087026464 [0,1,0,0,0,0|0,0,0]=1 690 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2118005753 [0,1,0,0,0,0|1,0,0]=2 691 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-2420221886 [0,1,0,0,0,0|1,0,0]=2 692 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7168739287 [0,1,0,0,0,0|1,0,0]=2 693 B8R0.2 CC[C@H](O)[C@@H](N)C(=O)O MCULE-7351381830 [0,1,0,0,0,0|1,0,0]=2 694 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,1,0,0,0,0|2,0,1]=4 695 B8R0.2 COC(=O)C(N)C(=O)O MCULE-2696171130 [0,1,0,0,0,0|2,0,1]=4 696 B8R0.2 COC(=O)C(N)C(=O)O MCULE-7192453479 [0,1,0,0,0,0|2,0,1]=4 697 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-3813999303 [0,1,0,0,0,0|2,0,1]=4 698 B8R0.2 COC(=O)[C@@H](N)C(=O)O MCULE-7475117362 [0,1,0,0,0,0|2,0,1]=4 699 B8R0.2 COC(C)C(Br)C(=O)O MCULE-2500266383 [0,1,0,0,0,0|1,0,0]=2 700 B8R0.2 COC(C)C(O)C(=O)O MCULE-2673265957 [0,1,0,0,0,0|1,0,0]=2 701 B8R0.2 COC(C)C([NH3+])C(=O)[O-] MCULE-9174020309 [0,1,0,0,0,0|1,0,1]=3 702 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-2479965444 [0,1,0,0,0,0|1,0,0]=2 703 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-3288712191 [0,1,0,0,0,0|1,0,0]=2 704 B8R0.2 CO[C@@H](C)[C@@H](N)C(=O)O MCULE-6827226453 [0,1,0,0,0,0|1,0,0]=2 705 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-6762158780 [0,1,0,0,0,0|1,0,0]=2 706 B8R0.2 CO[C@@H](C)[C@H](N)C(=O)O MCULE-9087542117 [0,1,0,0,0,0|1,0,0]=2 707 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6235935164 [0,1,0,0,0,0|1,0,0]=2 708 B8R0.2 CO[C@H](C)[C@@H](N)C(=O)O MCULE-6758536252 [0,1,0,0,0,0|1,0,0]=2 709 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-7334607468 [0,1,0,0,0,0|1,0,0]=2 710 B8R0.2 CO[C@H](C)[C@H](N)C(=O)O MCULE-8564530384 [0,1,0,0,0,0|1,0,0]=2 711 B8R0.2 CSC(C)C(N)C(=O)O MCULE-6226096646 [0,1,0,0,0,0|1,0,0]=2 712 B8R0.2 O=C(O)C(O)C(O)CO MCULE-1397527919 [0,1,0,0,0,0|2,0,0]=3 713 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-1531474304 [0,1,0,0,0,0|2,0,0]=3 714 B8R0.2 O=C(O)[C@H](O)[C@H](O)CO MCULE-3829421433 [0,1,0,0,0,0|2,0,0]=3 715 B8R0.2 O=C([O-])C(O)C(O)CO MCULE-4453733473 [0,1,0,0,0,0|2,0,1]=4 716 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1044422592 [0,1,0,0,0,0|2,0,1]=4 717 B8R0.2 O=C([O-])[C@H](O)[C@H](O)CO MCULE-1805281668 [0,1,0,0,0,0|2,0,1]=4 718 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1416545198 [0,1,0,0,0,0|1,0,0]=2 719 B8R0.2 [C@H](C)(CC)[C@H](N)C(=O)N MCULE-1950370478 [0,1,0,0,0,0|1,0,0]=2 720 B8R0.5 C#CCC(N)CC(=O)O MCULE-2010410671 [0,1,0,0,0,0|1,0,1]=3 721 B8R0.5 C#CCC(N)CC(=O)O MCULE-9655976746 [0,1,0,0,0,0|1,0,1]=3 722 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-1849013560 [0,1,0,0,0,0|1,0,1]=3 723 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-5050240935 [0,1,0,0,0,0|1,0,1]=3 724 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-7394019004 [0,1,0,0,0,0|1,0,1]=3 725 B8R0.5 C#CC[C@@H](N)CC(=O)O MCULE-8376747540 [0,1,0,0,0,0|1,0,1]=3 726 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-1446527937 [0,1,0,0,0,0|1,0,1]=3 727 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-4559086818 [0,1,0,0,0,0|1,0,1]=3 728 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-5154381271 [0,1,0,0,0,0|1,0,1]=3 729 B8R0.5 C#CC[C@H](N)CC(=O)O MCULE-9666448400 [0,1,0,0,0,0|1,0,1]=3 730 B8R0.5 C/C=C/C(O)CC(=O)O MCULE-3416519692 [0,1,0,0,0,0|1,0,1]=3 731 B8R0.5 C=C(C)CC(C)CCC MCULE-7442491404 [0,1,0,0,0,0|2,0,0]=3 732 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,1,0,0,0,0|0,0,2]=3 733 B8R0.5 C=CCC(N)CC(=O)O MCULE-1468461223 [0,1,0,0,0,0|1,0,1]=3 734 B8R0.5 C=CCC(N)CC(=O)O MCULE-3288937491 [0,1,0,0,0,0|1,0,1]=3 735 B8R0.5 C=CCC(N)CC(=O)O MCULE-4022730599 [0,1,0,0,0,0|1,0,1]=3 736 B8R0.5 C=CCC(N)CC(=O)O MCULE-5843795649 [0,1,0,0,0,0|1,0,1]=3 737 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-4754294062 [0,1,0,0,0,0|1,0,1]=3 738 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-7831408077 [0,1,0,0,0,0|1,0,1]=3 739 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-8503288377 [0,1,0,0,0,0|1,0,1]=3 740 B8R0.5 C=CC[C@@H](N)CC(=O)O MCULE-9398972010 [0,1,0,0,0,0|1,0,1]=3 741 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-1784444892 [0,1,0,0,0,0|1,0,1]=3 742 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-3247296447 [0,1,0,0,0,0|1,0,1]=3 743 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-5484030094 [0,1,0,0,0,0|1,0,1]=3 744 B8R0.5 C=CC[C@H](N)CC(=O)O MCULE-8982980423 [0,1,0,0,0,0|1,0,1]=3 745 B8R0.5 CC(=O)CN(C)CCO MCULE-4972701308 [0,1,0,0,0,0|2,0,0]=3 746 B8R0.5 CC(C)CC(C)CCO MCULE-4252029005 [0,1,0,0,0,0|2,0,1]=4 747 B8R0.5 CC(O)CC(O)CCO MCULE-4888514297 [0,1,0,0,0,0|2,0,1]=4 748 B8R0.5 CC(O)CN(C)CCO MCULE-4977568845 [0,1,0,0,0,0|2,0,1]=4 749 B8R0.5 CC=CC(O)CC(=O)O MCULE-9449456878 [0,1,0,0,0,0|1,0,1]=3 750 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,1,0,0,0,0|0,0,2]=3 751 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,1,0,0,0,0|0,0,2]=3 752 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,1,0,0,0,0|2,0,1]=4 753 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,1,0,0,0,0|1,0,1]=3 754 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,1,0,0,0,0|1,0,0]=2 755 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,1,0,0,0,0|0,0,0]=1 756 B8R0.5 CCCC(C)CC(C)C MCULE-4080546731 [0,1,0,0,0,0|2,0,1]=4 757 B8R0.5 CCCC(C)CC(C)O MCULE-3968478752 [0,1,0,0,0,0|1,0,1]=3 758 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,1,0,0,0,0|2,0,0]=3 759 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [0,1,0,0,0,0|2,0,0]=3 760 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,1,0,0,0,0|2,0,0]=3 761 B8R0.5 CCCC(N)CC(=O)O MCULE-1356349547 [0,1,0,0,0,0|1,0,0]=2 762 B8R0.5 CCCC(N)CC(=O)O MCULE-4946770886 [0,1,0,0,0,0|1,0,0]=2 763 B8R0.5 CCCC(N)CC(=O)O MCULE-5502250330 [0,1,0,0,0,0|1,0,0]=2 764 B8R0.5 CCCC(N)CC(=O)O MCULE-9959180111 [0,1,0,0,0,0|1,0,0]=2 765 B8R0.5 CCCC(O)CC(=O)O MCULE-3158579605 [0,1,0,0,0,0|1,0,0]=2 766 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,1,0,0,0,0|1,0,0]=2 767 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,1,0,0,0,0|1,0,0]=2 768 B8R0.5 CCCS(=O)CC(=O)O MCULE-4278595326 [0,1,0,0,0,0|2,0,0]=3 769 B8R0.5 CCC[C@@H](N)CC(=O)O MCULE-9961668094 [0,1,0,0,0,0|1,0,0]=2 770 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-1726586898 [0,1,0,0,0,0|1,0,0]=2 771 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5359238908 [0,1,0,0,0,0|1,0,0]=2 772 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-5593873511 [0,1,0,0,0,0|1,0,0]=2 773 B8R0.5 CCC[C@H](N)CC(=O)O MCULE-7588873691 [0,1,0,0,0,0|1,0,0]=2 774 B8R0.5 CCNC(=CC(=O)C)C MCULE-8804688598 [0,1,0,0,0,0|1,0,2]=4 775 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,1,0,0,0,0|1,0,1]=3 776 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,1,0,0,0,0|0,0,0]=1 777 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,1,0,0,0,0|0,0,0]=1 778 B8R0.5 CCNC(C)CN(C)C MCULE-3855150991 [0,1,0,0,0,0|3,0,0]=4 779 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [0,1,0,0,0,0|1,0,2]=4 780 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [0,1,0,0,0,0|1,0,2]=4 781 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [0,1,0,0,0,0|2,0,1]=4 782 B8R0.5 CCOC(=O)CC(=O)Cl MCULE-2946486230 [0,1,0,0,0,0|2,0,1]=4 783 B8R0.5 CCOC(=O)CC(=O)N MCULE-7799038725 [0,1,0,0,0,0|2,0,1]=4 784 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,1,0,0,0,0|1,0,1]=3 785 B8R0.5 CCOC(=O)CC(=O)[O-] MCULE-6229774103 [0,1,0,0,0,0|1,0,2]=4 786 B8R0.5 CCOC(C)SC(=O)C MCULE-7308480995 [0,1,0,0,0,0|2,0,0]=3 787 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,1,0,0,0,0|0,0,0]=1 788 B8R0.5 CN(CCO)CC(=O)O MCULE-9266824629 [0,1,0,0,0,0|1,0,0]=2 789 B8R0.5 CNCC(O)CC(=O)O MCULE-4502865855 [0,1,0,0,0,0|1,0,0]=2 790 B8R0.5 CNCC(O)CC(=O)O MCULE-5628718703 [0,1,0,0,0,0|1,0,0]=2 791 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [0,1,0,0,0,0|0,0,2]=3 792 B8R0.5 COCC(=O)CC(=O)C MCULE-8600900987 [0,1,0,0,0,0|2,0,1]=4 793 B8R0.5 COCC(C)CC(=O)O MCULE-7551495663 [0,1,0,0,0,0|0,0,0]=1 794 B8R0.5 COCC(C)NC(=O)N MCULE-1001849810 [0,1,0,0,0,0|2,0,0]=3 795 B8R0.5 COCC(C)NC(=S)N MCULE-9922053025 [0,1,0,0,0,0|2,1,0]=4 796 B8R0.5 COCC(C)OC(=O)C MCULE-8540773364 [0,1,0,0,0,0|2,0,0]=3 797 B8R0.5 COCC(C)OC(=O)Cl MCULE-3426225357 [0,1,0,0,0,0|2,0,0]=3 798 B8R0.5 NCCC(O)CC(=O)O MCULE-3095949832 [0,1,0,0,0,0|1,0,0]=2 799 B8R0.5 NCCC(O)CC(=O)O MCULE-8864780829 [0,1,0,0,0,0|1,0,0]=2 800 B8R0.16 C=CC(CC)CC(=O)O MCULE-3976460208 [0,1,0,0,0,0|0,0,1]=2 801 B8R0.16 C=CC(CC)OC(=O)C MCULE-4764266837 [0,1,0,0,0,0|2,0,1]=4 802 B8R0.16 CC(=O)NC(CO)CO MCULE-5276694510 [0,1,0,0,0,0|3,0,0]=4 803 B8R0.16 CCC(=CC(=O)O)CC MCULE-1347248467 [0,1,0,0,0,0|0,0,2]=3 804 B8R0.16 CCC(CBr)CC(F)F MCULE-7874241819 [0,1,0,0,0,0|2,0,1]=4 805 B8R0.16 CCC(CC(=O)N)OC MCULE-9685044533 [0,1,0,0,0,0|1,0,0]=2 806 B8R0.16 CCC(CC(=O)O)OC MCULE-7066116722 [0,1,0,0,0,0|0,0,0]=1 807 B8R0.16 CCC(CC(=O)O)SC MCULE-6546556452 [0,1,0,0,0,0|0,0,0]=1 808 B8R0.16 CCC(CC)CC(=O)C MCULE-6127320575 [0,1,0,0,0,0|1,0,0]=2 809 B8R0.16 CCC(CC)CC(=O)N MCULE-7974720854 [0,1,0,0,0,0|1,0,0]=2 810 B8R0.16 CCC(CC)CC(=O)O MCULE-1604696319 [0,1,0,0,0,0|0,0,0]=1 811 B8R0.16 CCC(CC)NC(=S)N MCULE-1437609331 [0,1,0,0,0,0|2,1,0]=4 812 B8R0.16 CCC(CO)CC(C)C MCULE-9608291376 [0,1,0,0,0,0|2,0,1]=4 813 B8R0.16 CCC(CO)CC(F)F MCULE-2999270022 [0,1,0,0,0,0|2,0,1]=4 814 B8R0.16 CCC(CO)NC(=O)C MCULE-9868176705 [0,1,0,0,0,0|2,0,0]=3 815 B8R0.16 CCN(CC)CC(=O)C MCULE-9148873435 [0,1,0,0,0,0|2,0,0]=3 816 B8R0.16 CCN(CC)CC(=O)N MCULE-6912193750 [0,1,0,0,0,0|2,0,0]=3 817 B8R0.16 CCN(CC)CC(=O)O MCULE-3120416437 [0,1,0,0,0,0|1,0,0]=2 818 B8R0.16 CCN(CC)CC(=O)O MCULE-4968287986 [0,1,0,0,0,0|1,0,0]=2 819 B8R0.16 CCN(CC)CC(=O)[O-] MCULE-5593114931 [0,1,0,0,0,0|1,0,1]=3 820 B8R0.16 CCN(CC)CC(C)O MCULE-9610800748 [0,1,0,0,0,0|2,0,1]=4 821 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-2664687963 [0,1,0,0,0,0|2,0,0]=3 822 B8R0.16 CC[C@@H](CO)NC(=O)C MCULE-6485833206 [0,1,0,0,0,0|2,0,0]=3 823 B8R0.16 COC(CC(=O)C)OC MCULE-4638877505 [0,1,0,0,0,0|2,0,0]=3 824 B8R0.16 COC(CC(=O)N)OC MCULE-8599636273 [0,1,0,0,0,0|2,0,0]=3 825 B8R0.16 COC(CC(=O)O)OC MCULE-5378328171 [0,1,0,0,0,0|1,0,0]=2 826 B8R0.16 COC(CC(C)O)OC MCULE-7166834512 [0,1,0,0,0,0|2,0,1]=4 827 B8R0.16 COC(CN)CC(=O)O MCULE-5640667137 [0,1,0,0,0,0|1,0,0]=2 828 B8R0.16 COC(CN)CC(=O)O MCULE-6451369002 [0,1,0,0,0,0|1,0,0]=2 829 B8R0.16 NCC(CO)CC(=O)O MCULE-2939268634 [0,1,0,0,0,0|1,0,0]=2 830 B8R0.19 C(O)(CC)CC(=O)OC MCULE-6615199457 [0,1,0,0,0,0|1,0,0]=2 831 B8R0.19 C=C(CCl)CC(=O)OC MCULE-3436182948 [0,1,0,0,0,0|1,0,2]=4 832 B8R0.19 CC(CO)CC(C)CO MCULE-5101558507 [0,1,0,0,0,0|2,0,1]=4 833 B8R0.19 CC(CO)NC(=O)CCl MCULE-8321254604 [0,1,0,0,0,0|3,0,0]=4 834 B8R0.19 CCC(=O)CC(=O)CC MCULE-9368471361 [0,1,0,0,0,0|2,0,1]=4 835 B8R0.19 CCC(=O)CC(=O)OC MCULE-1605349915 [0,1,0,0,0,0|1,0,1]=3 836 B8R0.19 CCC(=O)CC(C)CC MCULE-8568086135 [0,1,0,0,0,0|1,0,0]=2 837 B8R0.19 CCC(=O)OC(C)CC MCULE-9589388650 [0,1,0,0,0,0|2,0,0]=3 838 B8R0.19 CCC(C)CC(=O)OC MCULE-6040162942 [0,1,0,0,0,0|0,0,0]=1 839 B8R0.19 CCC(C)CC(C)CBr MCULE-5879530879 [0,1,0,0,0,0|2,0,1]=4 840 B8R0.19 CCC(C)CC(C)CC MCULE-3505575425 [0,1,0,0,0,0|2,0,1]=4 841 B8R0.19 CCC(C)CC(C)CO MCULE-5737704972 [0,1,0,0,0,0|1,0,1]=3 842 B8R0.19 CCC(C)CC(N)CO MCULE-5344165944 [0,1,0,0,0,0|1,0,1]=3 843 B8R0.19 CCC(C)CC(N)CO MCULE-6408946943 [0,1,0,0,0,0|1,0,1]=3 844 B8R0.19 CCC(C)CC(O)CC MCULE-9706306627 [0,1,0,0,0,0|1,0,1]=3 845 B8R0.19 CCC(C)NC(=O)CBr MCULE-1471524055 [0,1,0,0,0,0|2,0,0]=3 846 B8R0.19 CCC(C)NC(=O)CCl MCULE-1032516079 [0,1,0,0,0,0|2,0,0]=3 847 B8R0.19 CCC(C)NC(=O)CN MCULE-2235248545 [0,1,0,0,0,0|2,0,0]=3 848 B8R0.19 CCC(C)NC(=O)CN MCULE-5232759952 [0,1,0,0,0,0|2,0,0]=3 849 B8R0.19 CCC(C)NC(=S)NC MCULE-5202176198 [0,1,0,0,0,0|2,1,0]=4 850 B8R0.19 CCC(C)OC(=O)NN MCULE-8409912635 [0,1,0,0,0,0|2,0,0]=3 851 B8R0.19 CCC(N)CC(=O)OC MCULE-4861062224 [0,1,0,0,0,0|1,0,0]=2 852 B8R0.19 CCC(N)CC(=O)OC MCULE-5474414259 [0,1,0,0,0,0|1,0,0]=2 853 B8R0.19 CCC(N)CC(=O)OC MCULE-6614411962 [0,1,0,0,0,0|1,0,0]=2 854 B8R0.19 CCC(N)CC(=O)OC MCULE-8833088600 [0,1,0,0,0,0|1,0,0]=2 855 B8R0.19 CCC(N)CC(C)CO MCULE-9757770228 [0,1,0,0,0,0|2,0,1]=4 856 B8R0.19 CCN(C)CC(=O)NN MCULE-1832911721 [0,1,0,0,0,0|2,0,0]=3 857 B8R0.19 CCN(C)CC(=O)NN MCULE-2865164993 [0,1,0,0,0,0|2,0,0]=3 858 B8R0.19 CCN(C)CC(=O)NN MCULE-7681557684 [0,1,0,0,0,0|2,0,0]=3 859 B8R0.19 CC[C@@H](N)CC(=O)OC MCULE-2253918492 [0,1,0,0,0,0|1,0,0]=2 860 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-7264527834 [0,1,0,0,0,0|1,0,0]=2 861 B8R0.19 CC[C@@H](O)CC(=O)OC MCULE-8077794874 [0,1,0,0,0,0|1,0,0]=2 862 B8R0.19 CC[C@@H](O)C[C@H](O)CC MCULE-8992338479 [0,1,0,0,0,0|2,0,1]=4 863 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-1636989319 [0,1,0,0,0,0|1,0,0]=2 864 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-6253948831 [0,1,0,0,0,0|1,0,0]=2 865 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-7924708820 [0,1,0,0,0,0|1,0,0]=2 866 B8R0.19 CC[C@H](N)CC(=O)OC MCULE-8911472049 [0,1,0,0,0,0|1,0,0]=2 867 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-3861554927 [0,1,0,0,0,0|1,0,0]=2 868 B8R0.19 CC[C@H](O)CC(=O)OC MCULE-6307000918 [0,1,0,0,0,0|1,0,0]=2 869 B8R0.19 CC[C@H](O)C[C@@H](O)CC MCULE-4286526192 [0,1,0,0,0,0|2,0,1]=4 870 B8R0.19 CN/C(=C/C(=O)OC)/C MCULE-6748104823 [0,1,0,0,0,0|1,0,2]=4 871 B8R0.19 CN/C(=C\C(=O)OC)/C MCULE-6583518879 [0,1,0,0,0,0|1,0,2]=4 872 B8R0.19 CNC(=CC(=O)OC)C MCULE-1607524183 [0,1,0,0,0,0|1,0,2]=4 873 B8R0.19 CNC(=O)CC(C)NC MCULE-8409395532 [0,1,0,0,0,0|2,0,0]=3 874 B8R0.19 CNC(=O)CC(C)NC MCULE-9311295772 [0,1,0,0,0,0|2,0,0]=3 875 B8R0.19 CNC(C)CC(=O)OC MCULE-1039195486 [0,1,0,0,0,0|1,0,0]=2 876 B8R0.19 COC(=N)CC(=O)OC MCULE-2416316391 [0,1,0,0,0,0|2,0,1]=4 877 B8R0.19 COC(=N)CC(=O)OC MCULE-9193442551 [0,1,0,0,0,0|2,0,1]=4 878 B8R0.19 COC(=O)/C=C(\C)/OC MCULE-8813923973 [0,1,0,0,0,0|1,0,2]=4 879 B8R0.19 COC(=O)C=C(C)OC MCULE-1610055087 [0,1,0,0,0,0|1,0,2]=4 880 B8R0.19 COC(=O)CC(=O)CCl MCULE-1683633113 [0,1,0,0,0,0|2,0,1]=4 881 B8R0.19 COC(=O)CC(=O)OC MCULE-1727448163 [0,1,0,0,0,0|2,0,1]=4 882 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,1,0,0,0,0|1,0,1]=3 883 B8R0.19 COC(=O)CC(C)CBr MCULE-9170421446 [0,1,0,0,0,0|1,0,0]=2 884 B8R0.19 COC(=O)CC(C)SC MCULE-9425584839 [0,1,0,0,0,0|1,0,0]=2 885 B8R0.19 COC(=O)CC(N)CN MCULE-3079708048 [0,1,0,0,0,0|2,0,0]=3 886 B8R0.19 COC(=O)CC(N)CN MCULE-5046271852 [0,1,0,0,0,0|2,0,0]=3 887 B8R0.19 COC(=O)CC(N)CO MCULE-4803123890 [0,1,0,0,0,0|2,0,0]=3 888 B8R0.19 COC(=O)CC(N)CO MCULE-5372024399 [0,1,0,0,0,0|2,0,0]=3 889 B8R0.19 COC(=O)CC(O)CCl MCULE-3924993874 [0,1,0,0,0,0|2,0,0]=3 890 B8R0.19 COC(=O)CC(O)CN MCULE-6633164904 [0,1,0,0,0,0|2,0,0]=3 891 B8R0.19 COC(=O)CC(O)CN MCULE-6973205945 [0,1,0,0,0,0|2,0,0]=3 892 B8R0.19 COC(=O)CC(O)CO MCULE-1721395490 [0,1,0,0,0,0|2,0,0]=3 893 B8R0.19 COC(=O)CC(O)CO MCULE-7578547932 [0,1,0,0,0,0|2,0,0]=3 894 B8R0.19 COC(=O)CN(C)C=O MCULE-9266775990 [0,1,0,0,0,0|2,0,1]=4 895 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2437500598 [0,1,0,0,0,0|2,0,0]=3 896 B8R0.19 COC(=O)C[C@@H](O)CCl MCULE-2535323310 [0,1,0,0,0,0|2,0,0]=3 897 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2232290900 [0,1,0,0,0,0|2,0,0]=3 898 B8R0.19 COC(=O)C[C@H](O)CCl MCULE-2298624118 [0,1,0,0,0,0|2,0,0]=3 899 B8R0.19 COC(=O)C[C@H](O)CO MCULE-3243102477 [0,1,0,0,0,0|2,0,0]=3 900 B8R0.19 COC(=O)C[C@H](O)CO MCULE-7538479392 [0,1,0,0,0,0|2,0,0]=3 901 B8R0.19 COC(=O)NC(C)CN MCULE-4563927308 [0,1,0,0,0,0|2,0,0]=3 902 B8R0.19 COC(=O)NC(C)CN MCULE-8813177733 [0,1,0,0,0,0|2,0,0]=3 903 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-1533957902 [0,1,0,0,0,0|2,0,0]=3 904 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-7036214898 [0,1,0,0,0,0|2,0,0]=3 905 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-8908212489 [0,1,0,0,0,0|2,0,0]=3 906 B8R0.19 COC(=O)N[C@@H](C)CN MCULE-9526857370 [0,1,0,0,0,0|2,0,0]=3 907 B8R0.19 CSC(=O)NC(C)CBr MCULE-5023672306 [0,1,0,0,0,0|2,1,0]=4 908 B8R0.19 CSC(=O)NC(C)CCl MCULE-7349275493 [0,1,0,0,0,0|2,1,0]=4 909 B8R0.19 NNC(=O)CC(O)CCl MCULE-4502390137 [0,1,0,0,0,0|3,0,0]=4 910 B8R0.19 O=C(CO)CC(O)CO MCULE-2853556664 [0,1,0,0,0,0|2,0,0]=3 911 B8R0.19 [C@@H](N)(CC)CC(=O)OC MCULE-3287738066 [0,1,0,0,0,0|1,0,0]=2 912 B8R0.23 C=C(C)C(N)CC(=O)O MCULE-5527747045 [0,1,0,0,0,0|1,0,1]=3 913 B8R0.23 C=C(C)[C@@H](O)CC(=O)O MCULE-9399932923 [0,1,0,0,0,0|1,0,1]=3 914 B8R0.23 CC(=CC(=O)O)C(C)C MCULE-3448393194 [0,1,0,0,0,0|0,0,2]=3 915 B8R0.23 CC(=O)C(C)CC(=O)O MCULE-9095166615 [0,1,0,0,0,0|0,0,1]=2 916 B8R0.23 CC(=O)C(N)CC(=O)O MCULE-7043175556 [0,1,0,0,0,0|1,0,1]=3 917 B8R0.23 CC(=O)CC(=O)C(C)C MCULE-9885161576 [0,1,0,0,0,0|2,0,1]=4 918 B8R0.23 CC(=O)CC(C)C(=O)O MCULE-4640477792 [0,1,0,0,0,0|2,0,1]=4 919 B8R0.23 CC(=O)CC(O)C(=O)C MCULE-3447949844 [0,1,0,0,0,0|2,0,1]=4 920 B8R0.23 CC(=O)CC(O)[C@H](C)N MCULE-3417979643 [0,1,0,0,0,0|2,0,0]=3 921 B8R0.23 CC(=O)CN(C)C(C)C MCULE-2905536744 [0,1,0,0,0,0|2,0,0]=3 922 B8R0.23 CC(=O)CN(C)C(C)C MCULE-7902012708 [0,1,0,0,0,0|2,0,0]=3 923 B8R0.23 CC(=O)N(C)CC(=O)O MCULE-1037482941 [0,1,0,0,0,0|1,0,1]=3 924 B8R0.23 CC(=O)NC(C)C(=O)C MCULE-4672583112 [0,1,0,0,0,0|2,0,1]=4 925 B8R0.23 CC(=O)OC(C)C(=O)C MCULE-7403314261 [0,1,0,0,0,0|2,0,1]=4 926 B8R0.23 CC(C)C(=O)CC(=O)O MCULE-9781100715 [0,1,0,0,0,0|1,0,1]=3 927 B8R0.23 CC(C)C(=O)CC(=O)[O-] MCULE-3398588107 [0,1,0,0,0,0|1,0,2]=4 928 B8R0.23 CC(C)C(C)CC(=O)O MCULE-8256978568 [0,1,0,0,0,0|0,0,0]=1 929 B8R0.23 CC(C)C(Cl)OC(=O)Cl MCULE-5733683700 [0,1,0,0,0,0|3,0,0]=4 930 B8R0.23 CC(C)C(N)CC(=O)O MCULE-1591106639 [0,1,0,0,0,0|1,0,0]=2 931 B8R0.23 CC(C)C(N)CC(=O)O MCULE-2785677086 [0,1,0,0,0,0|1,0,0]=2 932 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7741390676 [0,1,0,0,0,0|1,0,0]=2 933 B8R0.23 CC(C)C(N)CC(=O)O MCULE-7820976140 [0,1,0,0,0,0|1,0,0]=2 934 B8R0.23 CC(C)C(O)CC(=O)O MCULE-2577623422 [0,1,0,0,0,0|1,0,0]=2 935 B8R0.23 CC(C)C(O)CN(=O)=O MCULE-7181992102 [0,1,0,0,0,0|2,0,1]=4 936 B8R0.23 CC(C)N(C)CC(=O)O MCULE-7118433089 [0,1,0,0,0,0|1,0,0]=2 937 B8R0.23 CC(C)N(C)CC(=O)O MCULE-8801372857 [0,1,0,0,0,0|1,0,0]=2 938 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-4128027229 [0,1,0,0,0,0|1,0,0]=2 939 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-5111030586 [0,1,0,0,0,0|1,0,0]=2 940 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-7447469347 [0,1,0,0,0,0|1,0,0]=2 941 B8R0.23 CC(C)[C@@H](N)CC(=O)O MCULE-8228659608 [0,1,0,0,0,0|1,0,0]=2 942 B8R0.23 CC(C)[C@@H](O)CC(=O)O MCULE-6946774834 [0,1,0,0,0,0|1,0,0]=2 943 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-2362404476 [0,1,0,0,0,0|1,0,0]=2 944 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-4006103633 [0,1,0,0,0,0|1,0,0]=2 945 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8085621397 [0,1,0,0,0,0|1,0,0]=2 946 B8R0.23 CC(C)[C@H](N)CC(=O)O MCULE-8783742568 [0,1,0,0,0,0|1,0,0]=2 947 B8R0.23 CC(CC(=O)Cl)C(=O)Cl MCULE-1409735811 [0,1,0,0,0,0|2,0,1]=4 948 B8R0.23 CC(CC(=O)N)C(=O)O MCULE-8238400356 [0,1,0,0,0,0|2,0,1]=4 949 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-4824634360 [0,1,0,0,0,0|1,0,1]=3 950 B8R0.23 CC(CC(=O)O)C(=O)O MCULE-8116748590 [0,1,0,0,0,0|1,0,1]=3 951 B8R0.23 CC(CC(=O)O)C(F)F MCULE-1349015136 [0,1,0,0,0,0|1,0,0]=2 952 B8R0.23 CC(CC(=O)O)N(C)C MCULE-5382425068 [0,1,0,0,0,0|1,0,0]=2 953 B8R0.23 CC(CC(=O)O)N(C)C MCULE-9798996642 [0,1,0,0,0,0|1,0,0]=2 954 B8R0.23 CC(O)C(N)CC(=O)O MCULE-5161755443 [0,1,0,0,0,0|1,0,0]=2 955 B8R0.23 CC(O)C(N)CC(=O)O MCULE-6370326858 [0,1,0,0,0,0|1,0,0]=2 956 B8R0.23 CC(O)CC(O)C(C)C MCULE-5906290473 [0,1,0,0,0,0|2,0,1]=4 957 B8R0.23 CN(C)C(=O)CC(=O)O MCULE-6715213324 [0,1,0,0,0,0|2,0,1]=4 958 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-3625061513 [0,1,0,0,0,0|2,0,1]=4 959 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-4950835709 [0,1,0,0,0,0|2,0,1]=4 960 B8R0.23 CN(CC(=O)O)C(=N)N MCULE-5131797215 [0,1,0,0,0,0|2,0,1]=4 961 B8R0.23 CN(CC(=O)O)C(=O)N MCULE-6739535875 [0,1,0,0,0,0|2,0,1]=4 962 B8R0.23 CN(CC(=O)O)C(=S)S MCULE-1910105668 [0,1,0,0,0,0|2,0,1]=4 963 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-1711994689 [0,1,0,0,0,0|1,0,1]=3 964 B8R0.23 C[C@@H](CC(=O)O)C(=O)O MCULE-6107805812 [0,1,0,0,0,0|1,0,1]=3 965 B8R0.23 C[C@@H](CC(=O)O)N(C)C MCULE-7203350382 [0,1,0,0,0,0|1,0,0]=2 966 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-1416044737 [0,1,0,0,0,0|1,0,0]=2 967 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-2990511228 [0,1,0,0,0,0|1,0,0]=2 968 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-3178455647 [0,1,0,0,0,0|1,0,0]=2 969 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-4413833682 [0,1,0,0,0,0|1,0,0]=2 970 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7332826518 [0,1,0,0,0,0|1,0,0]=2 971 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O MCULE-7552978009 [0,1,0,0,0,0|1,0,0]=2 972 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-2738295504 [0,1,0,0,0,0|1,0,1]=3 973 B8R0.23 C[C@H](CC(=O)O)C(=O)O MCULE-4544789339 [0,1,0,0,0,0|1,0,1]=3 974 B8R0.23 C[C@H](CC(=O)O)N(C)C MCULE-8459726256 [0,1,0,0,0,0|1,0,0]=2 975 B8R0.23 C[C@H](O)[C@@H](N)CC(=O)O MCULE-8673070329 [0,1,0,0,0,0|1,0,0]=2 976 B8R0.23 NC(=O)C(N)CC(=O)O MCULE-2277575843 [0,1,0,0,0,0|2,0,1]=4 977 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-1924512659 [0,1,0,0,0,0|2,0,1]=4 978 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-5836180326 [0,1,0,0,0,0|2,0,1]=4 979 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-8799617587 [0,1,0,0,0,0|2,0,1]=4 980 B8R0.23 NC(=O)[C@@H](N)CC(=O)O MCULE-9477928215 [0,1,0,0,0,0|2,0,1]=4 981 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-5316198498 [0,1,0,0,0,0|2,0,1]=4 982 B8R0.23 NC(=O)[C@H](N)CC(=O)O MCULE-9833023193 [0,1,0,0,0,0|2,0,1]=4 983 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-1247865301 [0,1,0,0,0,0|2,0,1]=4 984 B8R0.23 NC(CC(=O)O)C(=O)O MCULE-9328817309 [0,1,0,0,0,0|2,0,1]=4 985 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-5149469296 [0,1,0,0,0,0|2,0,1]=4 986 B8R0.23 NC(CC(=O)O)C(=O)[O-] MCULE-6655576025 [0,1,0,0,0,0|2,0,1]=4 987 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-3710241722 [0,1,0,0,0,0|2,0,1]=4 988 B8R0.23 N[C@@H](CC(=O)O)C(=O)O MCULE-6700641640 [0,1,0,0,0,0|2,0,1]=4 989 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] MCULE-6196524297 [0,1,0,0,0,0|2,0,1]=4 990 B8R0.23 N[C@H](CC(=O)O)C(=O)O MCULE-8102700760 [0,1,0,0,0,0|2,0,1]=4 991 B8R0.23 O=C(O)CC(=O)C(F)F MCULE-6579310267 [0,1,0,0,0,0|2,0,1]=4 992 B8R0.23 O=C(O)CC(Br)C(=O)O MCULE-8178780603 [0,1,0,0,0,0|2,0,1]=4 993 B8R0.23 O=C(O)CC(Cl)C(=O)O MCULE-6357456691 [0,1,0,0,0,0|2,0,1]=4 994 B8R0.23 O=C(O)CC(F)C(=O)O MCULE-8433198001 [0,1,0,0,0,0|2,0,1]=4 995 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-5852208511 [0,1,0,0,0,0|2,0,1]=4 996 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9713558868 [0,1,0,0,0,0|2,0,1]=4 997 B8R0.23 O=C(O)CC(O)C(=O)O MCULE-9924961830 [0,1,0,0,0,0|2,0,1]=4 998 B8R0.23 O=C(O)CC(S)C(=O)O MCULE-7005300961 [0,1,0,0,0,0|2,0,1]=4 999 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-4598056907 [0,1,0,0,0,0|2,0,1]=4 1000 B8R0.23 O=C(O)C[C@@H](Br)C(=O)O MCULE-7861798045 [0,1,0,0,0,0|2,0,1]=4 1001 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-2239273084 [0,1,0,0,0,0|2,0,1]=4 1002 B8R0.23 O=C(O)C[C@@H](O)C(=O)O MCULE-4984266891 [0,1,0,0,0,0|2,0,1]=4 1003 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-6763472515 [0,1,0,0,0,0|2,0,1]=4 1004 B8R0.23 O=C(O)C[C@H](Br)C(=O)O MCULE-7524683930 [0,1,0,0,0,0|2,0,1]=4 1005 B8R0.23 O=C(O)C[C@H](F)C(=O)O MCULE-9607625100 [0,1,0,0,0,0|2,0,1]=4 1006 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8339271078 [0,1,0,0,0,0|2,0,1]=4 1007 B8R0.23 O=C(O)C[C@H](O)C(=O)O MCULE-8865188741 [0,1,0,0,0,0|2,0,1]=4 1008 B8R0.23 O=C(O)C[C@H](O)C(=O)[O-] MCULE-1033530810 [0,1,0,0,0,0|2,0,1]=4 1009 B8R0.23 O=C(O)C[C@H](S)C(=O)O MCULE-6393371024 [0,1,0,0,0,0|2,0,1]=4 1010 B8R0.23 [C@@H](N)(CC(=O)O)C(=O)O MCULE-7899824165 [0,1,0,0,0,0|2,0,1]=4 1011 B8R0.24 CC(CCl)CS(=O)(=O)C MCULE-2467555509 [0,1,0,0,0,0|2,0,1]=4 1012 B8R0.24 CC(CN)OS(=O)(=O)O MCULE-9745181089 [0,1,0,0,0,0|3,0,0]=4 1013 B8R0.24 CCC(C)CC(C)(C)C MCULE-5219349103 [0,1,0,0,0,0|2,0,1]=4 1014 B8R0.24 CCC(C)CC(F)(F)F MCULE-5970471439 [0,1,0,0,0,0|2,0,1]=4 1015 B8R0.24 CCC(C)CS(=O)(=O)Cl MCULE-3522467576 [0,1,0,0,0,0|1,0,1]=3 1016 B8R0.24 CCC(C)CS(=O)(=O)F MCULE-3296257856 [0,1,0,0,0,0|1,0,1]=3 1017 B8R0.24 CCC(C)CS(=O)(=O)N MCULE-5238656824 [0,1,0,0,0,0|1,0,1]=3 1018 B8R0.24 CCC(C)OS(=O)(=O)C MCULE-5827224085 [0,1,0,0,0,0|2,0,1]=4 1019 B8R0.24 CCC(O)CS(=O)(=O)[O-] MCULE-4924854624 [0,1,0,0,0,0|2,0,1]=4 1020 B8R0.24 CCC(O)CS(=O)(=O)[O-] MCULE-6879658750 [0,1,0,0,0,0|2,0,1]=4 1021 B8R0.24 CC[C@@H](C)OS(=O)(=O)C MCULE-9422532115 [0,1,0,0,0,0|2,0,1]=4 1022 B8R0.24 CC[C@H](C)OS(=O)(=O)C MCULE-7282251602 [0,1,0,0,0,0|2,0,1]=4 1023 B8R0.24 CC[C@H](C)OS(=O)(=O)C MCULE-8910858041 [0,1,0,0,0,0|2,0,1]=4 1024 B8R0.24 CNC(C)CS(=O)(=O)C MCULE-7219200971 [0,1,0,0,0,0|2,0,1]=4 1025 B8R0.24 COC(C)CS(=O)(=O)N MCULE-1914495657 [0,1,0,0,0,0|2,0,1]=4 1026 B8R0.24 CP(=O)(O)CC(O)CN MCULE-3493831461 [0,1,0,0,0,0|3,0,0]=4 1027 B8R0.24 CP(=O)(O)C[C@H](O)CN MCULE-7311439053 [0,1,0,0,0,0|3,0,0]=4 1028 B8R0.24 O=S(=O)(O)CC(O)CCl MCULE-8756434458 [0,1,0,0,0,0|3,0,0]=4 1029 B8R0.24 O=S(=O)(O)CC(O)CO MCULE-8972853403 [0,1,0,0,0,0|3,0,0]=4 1030 B8R0.24 O=S(=O)(O)CC(S)CS MCULE-5302170766 [0,1,0,0,0,0|3,0,0]=4 1031 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-1909194599 [0,1,0,0,0,0|3,0,0]=4 1032 B8R0.24 [NH3+]CC(O)CP(=O)(O)O MCULE-2988447435 [0,1,0,0,0,0|3,0,0]=4 1033 B8R0.34 C=C(C)CC(C)(C)CC MCULE-9469757352 [0,1,0,0,0,0|2,0,0]=3 1034 B8R0.34 C=CC(C)(C)CC(=O)O MCULE-5164134544 [0,1,0,0,0,0|0,0,2]=3 1035 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-6219975516 [0,1,0,0,0,0|0,0,2]=3 1036 B8R0.34 C=CC(C)(N)CC(=O)O MCULE-7181187393 [0,1,0,0,0,0|0,0,2]=3 1037 B8R0.34 C=CC(C)(O)CC(=O)O MCULE-2178203310 [0,1,0,0,0,0|0,0,2]=3 1038 B8R0.34 CC(=O)CC(C)(C)C#N MCULE-9609954598 [0,1,0,0,0,0|2,0,1]=4 1039 B8R0.34 CC(=O)NC(C)(C)CO MCULE-7854801131 [0,1,0,0,0,0|3,0,0]=4 1040 B8R0.34 CC(=O)OC(C)(C)CO MCULE-6739454773 [0,1,0,0,0,0|3,0,0]=4 1041 B8R0.34 CC(C)(C#N)CC(=O)O MCULE-3389391069 [0,1,0,0,0,0|1,0,1]=3 1042 B8R0.34 CC(C)(CBr)CC(=O)O MCULE-4311085343 [0,1,0,0,0,0|1,0,0]=2 1043 B8R0.34 CC(C)(CN)CC(=O)O MCULE-6230830854 [0,1,0,0,0,0|1,0,0]=2 1044 B8R0.34 CC(C)(CN)CC(=O)O MCULE-7518023349 [0,1,0,0,0,0|1,0,0]=2 1045 B8R0.34 CC(C)(CO)CC(=O)O MCULE-8595593482 [0,1,0,0,0,0|1,0,0]=2 1046 B8R0.34 CC(C)(CO)CC(=O)[O-] MCULE-9214676521 [0,1,0,0,0,0|1,0,1]=3 1047 B8R0.34 CC(O)(CN)CC(=O)O MCULE-3304637192 [0,1,0,0,0,0|1,0,0]=2 1048 B8R0.34 CC(O)(CN)CC(=O)O MCULE-4143526784 [0,1,0,0,0,0|1,0,0]=2 1049 B8R0.34 CC(O)CC(C)(C)CN MCULE-3349093711 [0,1,0,0,0,0|2,0,1]=4 1050 B8R0.34 CC(O)CC(C)(C)CN MCULE-7091343982 [0,1,0,0,0,0|2,0,1]=4 1051 B8R0.34 CCC(C)(C)CC(=O)C MCULE-9050476347 [0,1,0,0,0,0|1,0,0]=2 1052 B8R0.34 CCC(C)(C)CC(=O)O MCULE-7231252497 [0,1,0,0,0,0|0,0,0]=1 1053 B8R0.34 CCC(C)(C)NC(=O)C MCULE-4494448055 [0,1,0,0,0,0|2,0,0]=3 1054 B8R0.34 CCC(C)(C)OC(=O)C MCULE-9920396593 [0,1,0,0,0,0|2,0,0]=3 1055 B8R0.34 CCC(C)(O)CC(=O)O MCULE-2487477968 [0,1,0,0,0,0|0,0,0]=1 1056 B8R0.34 CCC(C)(O)CC(C)C MCULE-2017778784 [0,1,0,0,0,0|2,0,1]=4 1057 B8R0.34 CCC(F)(F)CC(=O)O MCULE-6139996682 [0,1,0,0,0,0|1,0,0]=2 1058 B8R0.34 CCS(=O)(=O)CC(=O)C MCULE-7362448391 [0,1,0,0,0,0|3,0,0]=4 1059 B8R0.34 CCS(=O)(=O)CC(=O)O MCULE-2833586083 [0,1,0,0,0,0|2,0,0]=3 1060 B8R0.34 CNS(=O)(=O)CC(=O)O MCULE-3154336304 [0,1,0,0,0,0|3,0,0]=4 1061 B8R0.34 COC(C)(C)CC(=O)C MCULE-7283878436 [0,1,0,0,0,0|2,0,0]=3 1062 B8R0.34 COC(C)(C)CC(=O)O MCULE-3953307849 [0,1,0,0,0,0|1,0,0]=2 1063 B8R0.34 COC(C)(C)CC(C)O MCULE-8363298229 [0,1,0,0,0,0|2,0,1]=4 1064 B8R0.34 CSC(C)(C)CC(=O)C MCULE-8630996828 [0,1,0,0,0,0|2,0,0]=3 1065 B8R0.34 NCC(F)(F)CC(=O)O MCULE-1672648881 [0,1,0,0,0,0|2,0,0]=3 1066 B8R1.1 C#CC1COC(=O)N1 MCULE-7019791209 [0,0,0,1,0,0|1,0,2]=4 1067 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-3103635703 [0,0,0,1,0,0|1,0,2]=4 1068 B8R1.1 C#C[C@@H]1COC(=O)N1 MCULE-7796064143 [0,0,0,1,0,0|1,0,2]=4 1069 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-4375742729 [0,0,0,1,0,0|1,0,2]=4 1070 B8R1.1 C#C[C@H]1COC(=O)N1 MCULE-5542662617 [0,0,0,1,0,0|1,0,2]=4 1071 B8R1.1 C1(CCC(=O)N1)CBr MCULE-4451864575 [0,0,0,1,0,0|3,0,0]=4 1072 B8R1.1 C1(CCC(=O)N1)CN MCULE-3169700074 [0,0,0,1,0,0|3,0,0]=4 1073 B8R1.1 C1(CCC(=O)N1)CO MCULE-8513534447 [0,0,0,1,0,0|3,0,0]=4 1074 B8R1.1 C1(CNC(=O)C1)CN MCULE-6663370335 [0,0,0,1,0,0|2,0,0]=3 1075 B8R1.1 C1(CNC(=O)C1)CN MCULE-8237162259 [0,0,0,1,0,0|2,0,0]=3 1076 B8R1.1 C1(CNC(=O)O1)CO MCULE-2451079587 [0,0,0,1,0,0|3,0,0]=4 1077 B8R1.1 C=CC1COC(=O)C1 MCULE-5888906344 [0,0,0,1,0,0|0,0,2]=3 1078 B8R1.1 C=CC1COC(=O)C1 MCULE-8602073759 [0,0,0,1,0,0|0,0,2]=3 1079 B8R1.1 C=CC1COC(=O)O1 MCULE-3470962220 [0,0,0,1,0,0|1,0,2]=4 1080 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-1274088394 [0,0,0,1,0,0|0,0,2]=3 1081 B8R1.1 C=C[C@@H]1COC(=O)C1 MCULE-3162707973 [0,0,0,1,0,0|0,0,2]=3 1082 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-1532767336 [0,0,0,1,0,0|1,0,2]=4 1083 B8R1.1 C=C[C@@H]1COC(=O)N1 MCULE-3932839401 [0,0,0,1,0,0|1,0,2]=4 1084 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-3492854139 [0,0,0,1,0,0|1,0,2]=4 1085 B8R1.1 C=C[C@H]1COC(=O)N1 MCULE-9796474747 [0,0,0,1,0,0|1,0,2]=4 1086 B8R1.1 CC1=NC(CO1)CBr MCULE-4046707435 [0,0,0,1,0,0|3,0,0]=4 1087 B8R1.1 CCC1=CC(=O)CC1 MCULE-6681801286 [0,0,0,1,0,0|1,0,2]=4 1088 B8R1.1 CCC1=NNC(=O)C1 MCULE-8387854697 [0,0,0,1,0,0|2,0,1]=4 1089 B8R1.1 CCC1C=CC(=O)O1 MCULE-8058927851 [0,0,0,1,0,0|2,0,1]=4 1090 B8R1.1 CCC1CC(=O)CO1 MCULE-7105024194 [0,0,0,1,0,0|2,0,0]=3 1091 B8R1.1 CCC1CCC(=O)C1 MCULE-8455504217 [0,0,0,1,0,0|1,0,0]=2 1092 B8R1.1 CCC1CCC(=O)N1 MCULE-6150249637 [0,0,0,1,0,0|2,0,0]=3 1093 B8R1.1 CCC1CCC(=O)O1 MCULE-5161861312 [0,0,0,1,0,0|2,0,0]=3 1094 B8R1.1 CCC1CNC(=O)C1 MCULE-1800672545 [0,0,0,1,0,0|1,0,0]=2 1095 B8R1.1 CCC1CNC(=O)O1 MCULE-9388725409 [0,0,0,1,0,0|2,0,0]=3 1096 B8R1.1 CCC1COC(=N1)C MCULE-1406641220 [0,0,0,1,0,0|2,0,0]=3 1097 B8R1.1 CCC1COC(=O)C1 MCULE-1996435734 [0,0,0,1,0,0|0,0,0]=1 1098 B8R1.1 CCC1COC(=O)N1 MCULE-4345668230 [0,0,0,1,0,0|1,0,0]=2 1099 B8R1.1 CCC1COC(=O)O1 MCULE-5743084846 [0,0,0,1,0,0|1,0,0]=2 1100 B8R1.1 CCC1CSC(=N1)C MCULE-4393928745 [0,0,0,1,0,0|2,1,0]=4 1101 B8R1.1 CCN1CCC(=O)C1 MCULE-5806094458 [0,0,0,1,0,0|2,0,0]=3 1102 B8R1.1 CCN1CCC(C1)O MCULE-5692205926 [0,0,0,1,0,0|2,0,1]=4 1103 B8R1.1 CC[C@@H]1CCC(=O)C1 MCULE-7687801028 [0,0,0,1,0,0|1,0,0]=2 1104 B8R1.1 CC[C@@H]1CCC(=O)O1 MCULE-9831904901 [0,0,0,1,0,0|2,0,0]=3 1105 B8R1.1 CC[C@H]1CCC(=O)C1 MCULE-6479003670 [0,0,0,1,0,0|1,0,0]=2 1106 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-2443615902 [0,0,0,1,0,0|1,0,0]=2 1107 B8R1.1 CC[C@H]1COC(=O)N1 MCULE-9191549724 [0,0,0,1,0,0|1,0,0]=2 1108 B8R1.1 CNC1CCC(C1)O MCULE-1177292585 [0,0,0,1,0,0|2,0,1]=4 1109 B8R1.1 CNC1CCC(C1)O MCULE-5259471149 [0,0,0,1,0,0|2,0,1]=4 1110 B8R1.1 CNC1CNC(=O)C1 MCULE-1673491824 [0,0,0,1,0,0|2,0,0]=3 1111 B8R1.1 CN[C@@H]1CC[C@@H](C1)O MCULE-3921744037 [0,0,0,1,0,0|2,0,1]=4 1112 B8R1.1 CN[C@H]1CNC(=O)C1 MCULE-7859463391 [0,0,0,1,0,0|2,0,0]=3 1113 B8R1.1 COC1=CC(=O)OC1 MCULE-9199919492 [0,0,0,1,0,0|1,0,2]=4 1114 B8R1.1 COC1C=CC(=O)C1 MCULE-3904672515 [0,0,0,1,0,0|2,0,1]=4 1115 B8R1.1 COC1CCC(=O)C1 MCULE-3259977239 [0,0,0,1,0,0|2,0,0]=3 1116 B8R1.1 COC1CCC(=O)N1 MCULE-9661875090 [0,0,0,1,0,0|3,0,0]=4 1117 B8R1.1 COC1CCC(C1)O MCULE-3531007988 [0,0,0,1,0,0|2,0,1]=4 1118 B8R1.1 COC1CNC(=O)C1 MCULE-2023546447 [0,0,0,1,0,0|2,0,0]=3 1119 B8R1.1 CO[C@@H]1CC[C@@H](C1)O MCULE-5232016028 [0,0,0,1,0,0|2,0,1]=4 1120 B8R1.1 N#CC1CCC(=O)C1 MCULE-3783981366 [0,0,0,1,0,0|2,0,1]=4 1121 B8R1.1 N#CC1CNC(=O)C1 MCULE-7040868747 [0,0,0,1,0,0|2,0,1]=4 1122 B8R1.1 N#CC1COC(=O)O1 MCULE-7635108167 [0,0,0,1,0,0|2,0,1]=4 1123 B8R1.1 N#C[C@@H]1CCC(=O)C1 MCULE-1506687355 [0,0,0,1,0,0|2,0,1]=4 1124 B8R1.1 N#C[C@H]1CCC(=O)C1 MCULE-3791390646 [0,0,0,1,0,0|2,0,1]=4 1125 B8R1.1 NCC1CCC(=O)N1 MCULE-2195138544 [0,0,0,1,0,0|3,0,0]=4 1126 B8R1.1 NCC1CCC(=O)N1 MCULE-5064964559 [0,0,0,1,0,0|3,0,0]=4 1127 B8R1.1 NCC1CCC(=O)N1 MCULE-9686422256 [0,0,0,1,0,0|3,0,0]=4 1128 B8R1.1 NCC1CCC(=O)N1 MCULE-9973113927 [0,0,0,1,0,0|3,0,0]=4 1129 B8R1.1 NCC1CCC(=O)O1 MCULE-5413792723 [0,0,0,1,0,0|3,0,0]=4 1130 B8R1.1 NCC1CCC(=O)O1 MCULE-8312895206 [0,0,0,1,0,0|3,0,0]=4 1131 B8R1.1 NCC1CCC(C1)O MCULE-1780130995 [0,0,0,1,0,0|2,0,1]=4 1132 B8R1.1 NCC1CCC(C1)O MCULE-5002398342 [0,0,0,1,0,0|2,0,1]=4 1133 B8R1.1 NCC1CNC(=O)C1 MCULE-2522987651 [0,0,0,1,0,0|2,0,0]=3 1134 B8R1.1 NCC1CNC(=O)C1 MCULE-7249550892 [0,0,0,1,0,0|2,0,0]=3 1135 B8R1.1 NCC1CNC(=O)C1 MCULE-7253893960 [0,0,0,1,0,0|2,0,0]=3 1136 B8R1.1 NCC1CNC(=O)O1 MCULE-3940030823 [0,0,0,1,0,0|3,0,0]=4 1137 B8R1.1 NCC1CNC(=O)O1 MCULE-7671055394 [0,0,0,1,0,0|3,0,0]=4 1138 B8R1.1 NCC1COC(=O)N1 MCULE-8454292565 [0,0,0,1,0,0|2,0,0]=3 1139 B8R1.1 NCC1COC(=O)N1 MCULE-9068275563 [0,0,0,1,0,0|2,0,0]=3 1140 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-5772277021 [0,0,0,1,0,0|3,0,0]=4 1141 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-6147061481 [0,0,0,1,0,0|3,0,0]=4 1142 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7644508115 [0,0,0,1,0,0|3,0,0]=4 1143 B8R1.1 NC[C@@H]1CCC(=O)N1 MCULE-7782108755 [0,0,0,1,0,0|3,0,0]=4 1144 B8R1.1 NC[C@@H]1CC[C@@H](C1)O MCULE-2662561877 [0,0,0,1,0,0|2,0,1]=4 1145 B8R1.1 NC[C@@H]1CC[C@H](C1)O MCULE-9258933196 [0,0,0,1,0,0|2,0,1]=4 1146 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-1184474214 [0,0,0,1,0,0|2,0,0]=3 1147 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-2421452869 [0,0,0,1,0,0|2,0,0]=3 1148 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-3903743084 [0,0,0,1,0,0|2,0,0]=3 1149 B8R1.1 NC[C@@H]1CNC(=O)C1 MCULE-9080425518 [0,0,0,1,0,0|2,0,0]=3 1150 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-1463241001 [0,0,0,1,0,0|3,0,0]=4 1151 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-3217887113 [0,0,0,1,0,0|3,0,0]=4 1152 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-5423398321 [0,0,0,1,0,0|3,0,0]=4 1153 B8R1.1 NC[C@@H]1CNC(=O)O1 MCULE-9322185538 [0,0,0,1,0,0|3,0,0]=4 1154 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1485902199 [0,0,0,1,0,0|3,0,0]=4 1155 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-1751255260 [0,0,0,1,0,0|3,0,0]=4 1156 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-3641870628 [0,0,0,1,0,0|3,0,0]=4 1157 B8R1.1 NC[C@H]1CCC(=O)N1 MCULE-9839264859 [0,0,0,1,0,0|3,0,0]=4 1158 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-1995293557 [0,0,0,1,0,0|2,0,1]=4 1159 B8R1.1 NC[C@H]1CC[C@@H](C1)O MCULE-9517253792 [0,0,0,1,0,0|2,0,1]=4 1160 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-5659749587 [0,0,0,1,0,0|2,0,1]=4 1161 B8R1.1 NC[C@H]1CC[C@H](C1)O MCULE-9056303043 [0,0,0,1,0,0|2,0,1]=4 1162 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-7212975165 [0,0,0,1,0,0|2,0,0]=3 1163 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8203034485 [0,0,0,1,0,0|2,0,0]=3 1164 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-8803246698 [0,0,0,1,0,0|2,0,0]=3 1165 B8R1.1 NC[C@H]1CNC(=O)C1 MCULE-9580224880 [0,0,0,1,0,0|2,0,0]=3 1166 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-1224919034 [0,0,0,1,0,0|3,0,0]=4 1167 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6003746665 [0,0,0,1,0,0|3,0,0]=4 1168 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-6937146715 [0,0,0,1,0,0|3,0,0]=4 1169 B8R1.1 NC[C@H]1CNC(=O)O1 MCULE-9419881517 [0,0,0,1,0,0|3,0,0]=4 1170 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-1988909942 [0,0,0,1,0,0|2,0,0]=3 1171 B8R1.1 NC[C@H]1COC(=O)N1 MCULE-9340310155 [0,0,0,1,0,0|2,0,0]=3 1172 B8R1.1 O=C1C=C(CO1)CBr MCULE-1493137482 [0,0,0,1,0,0|1,0,2]=4 1173 B8R1.1 O=C1C=C(CO1)CI MCULE-7834471824 [0,0,0,1,0,0|1,0,2]=4 1174 B8R1.1 O=C1C=C(CO1)CO MCULE-9263407854 [0,0,0,1,0,0|1,0,2]=4 1175 B8R1.1 O=C1CC(CN1)CBr MCULE-1780879209 [0,0,0,1,0,0|2,0,0]=3 1176 B8R1.1 O=C1CC(CN1)CO MCULE-8619053563 [0,0,0,1,0,0|2,0,0]=3 1177 B8R1.1 O=C1CC(CO1)CO MCULE-7403068263 [0,0,0,1,0,0|1,0,0]=2 1178 B8R1.1 O=C1CCC(C1)CF MCULE-9077358027 [0,0,0,1,0,0|2,0,0]=3 1179 B8R1.1 O=C1CCC(C1)CO MCULE-7524267942 [0,0,0,1,0,0|2,0,0]=3 1180 B8R1.1 O=C1CCC(N1)CBr MCULE-7024022934 [0,0,0,1,0,0|3,0,0]=4 1181 B8R1.1 O=C1CCC(N1)CI MCULE-6956070937 [0,0,0,1,0,0|3,0,0]=4 1182 B8R1.1 O=C1CCC(N1)CO MCULE-1498000761 [0,0,0,1,0,0|3,0,0]=4 1183 B8R1.1 O=C1CCC(O1)CBr MCULE-9370722806 [0,0,0,1,0,0|3,0,0]=4 1184 B8R1.1 O=C1CCC(O1)CCl MCULE-3199749385 [0,0,0,1,0,0|3,0,0]=4 1185 B8R1.1 O=C1CCC(O1)CI MCULE-4432096360 [0,0,0,1,0,0|3,0,0]=4 1186 B8R1.1 O=C1CCC(O1)CO MCULE-3178999726 [0,0,0,1,0,0|3,0,0]=4 1187 B8R1.1 O=C1CCC(O1)CO MCULE-4390773734 [0,0,0,1,0,0|3,0,0]=4 1188 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-2590805877 [0,0,0,1,0,0|2,0,0]=3 1189 B8R1.1 O=C1CC[C@@H](C1)CO MCULE-7134607780 [0,0,0,1,0,0|2,0,0]=3 1190 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-4537645558 [0,0,0,1,0,0|3,0,0]=4 1191 B8R1.1 O=C1CC[C@@H](N1)CBr MCULE-6830001458 [0,0,0,1,0,0|3,0,0]=4 1192 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3021506643 [0,0,0,1,0,0|3,0,0]=4 1193 B8R1.1 O=C1CC[C@@H](N1)CO MCULE-3659077476 [0,0,0,1,0,0|3,0,0]=4 1194 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-1532290348 [0,0,0,1,0,0|3,0,0]=4 1195 B8R1.1 O=C1CC[C@@H](O1)CO MCULE-3600746831 [0,0,0,1,0,0|3,0,0]=4 1196 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-1684731751 [0,0,0,1,0,0|3,0,0]=4 1197 B8R1.1 O=C1CC[C@H](N1)CBr MCULE-4479348379 [0,0,0,1,0,0|3,0,0]=4 1198 B8R1.1 O=C1CC[C@H](N1)CO MCULE-4532009930 [0,0,0,1,0,0|3,0,0]=4 1199 B8R1.1 O=C1CC[C@H](N1)CO MCULE-6466848372 [0,0,0,1,0,0|3,0,0]=4 1200 B8R1.1 O=C1CC[C@H](O1)CO MCULE-1675076625 [0,0,0,1,0,0|3,0,0]=4 1201 B8R1.1 O=C1CC[C@H](O1)CO MCULE-6265569115 [0,0,0,1,0,0|3,0,0]=4 1202 B8R1.1 O=C1C[C@@H](CN1)CO MCULE-5572559100 [0,0,0,1,0,0|2,0,0]=3 1203 B8R1.1 O=C1C[C@H](CN1)CO MCULE-4450345453 [0,0,0,1,0,0|2,0,0]=3 1204 B8R1.1 O=C1NC(CO1)CI MCULE-3725463438 [0,0,0,1,0,0|2,0,0]=3 1205 B8R1.1 O=C1NC(CO1)CI MCULE-8271591026 [0,0,0,1,0,0|2,0,0]=3 1206 B8R1.1 O=C1NC(CO1)CO MCULE-8296379772 [0,0,0,1,0,0|2,0,0]=3 1207 B8R1.1 O=C1NC(CO1)CO MCULE-9797812862 [0,0,0,1,0,0|2,0,0]=3 1208 B8R1.1 O=C1NCC(O1)CBr MCULE-3294572412 [0,0,0,1,0,0|3,0,0]=4 1209 B8R1.1 O=C1NCC(O1)CCl MCULE-6711754093 [0,0,0,1,0,0|3,0,0]=4 1210 B8R1.1 O=C1NCC(O1)CCl MCULE-6847066968 [0,0,0,1,0,0|3,0,0]=4 1211 B8R1.1 O=C1NCC(O1)CO MCULE-8225938772 [0,0,0,1,0,0|3,0,0]=4 1212 B8R1.1 O=C1NCC(S1)CBr MCULE-9963419555 [0,0,0,1,0,0|3,0,0]=4 1213 B8R1.1 O=C1NC[C@@H](O1)CCl MCULE-4606501061 [0,0,0,1,0,0|3,0,0]=4 1214 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-4749906822 [0,0,0,1,0,0|3,0,0]=4 1215 B8R1.1 O=C1NC[C@@H](O1)CO MCULE-7879354917 [0,0,0,1,0,0|3,0,0]=4 1216 B8R1.1 O=C1NC[C@H](O1)CCl MCULE-1912687608 [0,0,0,1,0,0|3,0,0]=4 1217 B8R1.1 O=C1NC[C@H](O1)CO MCULE-2698871687 [0,0,0,1,0,0|3,0,0]=4 1218 B8R1.1 O=C1NC[C@H](O1)CO MCULE-5771560221 [0,0,0,1,0,0|3,0,0]=4 1219 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-2270288938 [0,0,0,1,0,0|2,0,0]=3 1220 B8R1.1 O=C1N[C@@H](CO1)CO MCULE-5533745846 [0,0,0,1,0,0|2,0,0]=3 1221 B8R1.1 O=C1N[C@H](CO1)CI MCULE-5817468950 [0,0,0,1,0,0|2,0,0]=3 1222 B8R1.1 O=C1N[C@H](CO1)CI MCULE-6940377154 [0,0,0,1,0,0|2,0,0]=3 1223 B8R1.1 O=C1N[C@H](CO1)CO MCULE-3186572246 [0,0,0,1,0,0|2,0,0]=3 1224 B8R1.1 O=C1N[C@H](CO1)CO MCULE-4534112642 [0,0,0,1,0,0|2,0,0]=3 1225 B8R1.1 O=C1OCC(O1)CCl MCULE-7212643481 [0,0,0,1,0,0|2,0,0]=3 1226 B8R1.1 O=C1OCC(O1)CF MCULE-2066386250 [0,0,0,1,0,0|2,0,0]=3 1227 B8R1.1 O=C1OCC(O1)CO MCULE-1831262013 [0,0,0,1,0,0|2,0,0]=3 1228 B8R1.1 O=CC1COC(=O)C1 MCULE-7312168752 [0,0,0,1,0,0|1,0,1]=3 1229 B8R1.1 OCC1CCC(C1)O MCULE-5225292788 [0,0,0,1,0,0|2,0,1]=4 1230 B8R1.1 OC[C@@H]1CC[C@@H](C1)O MCULE-7117159358 [0,0,0,1,0,0|2,0,1]=4 1231 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-7760122854 [0,0,0,1,0,0|2,0,1]=4 1232 B8R1.1 OC[C@H]1CC[C@@H](C1)O MCULE-9132554470 [0,0,0,1,0,0|2,0,1]=4 1233 B8R1.1 [C@@H]1(COC(=O)C1)C=C MCULE-1356778810 [0,0,0,1,0,0|0,0,2]=3 1234 B8R1.1 [C@H]1(CNC(=O)O1)CCl MCULE-6032247892 [0,0,0,1,0,0|3,0,0]=4 1235 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,0,0,1,0,0|2,0,0]=3 1236 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,0,0,1,0,0|2,0,0]=3 1237 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,0,0,1,0,0|2,0,0]=3 1238 B8R1.4 C1(CCCN(C1)C)O MCULE-3423318871 [0,0,0,1,0,0|2,0,1]=4 1239 B8R1.4 C1(CNCC(=O)N1)C MCULE-3246707428 [0,0,0,1,0,0|3,0,0]=4 1240 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,0,0,1,0,0|1,0,2]=4 1241 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,0,0,1,0,0|0,0,2]=3 1242 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,0,0,1,0,0|1,0,2]=4 1243 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,0,0,1,0,0|2,0,0]=3 1244 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,0,0,1,0,0|2,0,0]=3 1245 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,0,0,1,0,0|2,0,0]=3 1246 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,0,0,1,0,0|2,0,0]=3 1247 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,0,0,1,0,0|2,0,0]=3 1248 B8R1.4 CC1CC(CCN1)O MCULE-6498081704 [0,0,0,1,0,0|2,0,1]=4 1249 B8R1.4 CC1CC(CCN1)O MCULE-7903568675 [0,0,0,1,0,0|2,0,1]=4 1250 B8R1.4 CC1CC(CCO1)N MCULE-6804148880 [0,0,0,1,0,0|2,0,1]=4 1251 B8R1.4 CC1CC(CCO1)N MCULE-8648516718 [0,0,0,1,0,0|2,0,1]=4 1252 B8R1.4 CC1CC(CCO1)O MCULE-4865141445 [0,0,0,1,0,0|2,0,1]=4 1253 B8R1.4 CC1CC=CC(=O)O1 MCULE-3191839185 [0,0,0,1,0,0|2,0,1]=4 1254 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,0,0,1,0,0|1,0,0]=2 1255 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,0,0,1,0,0|1,0,0]=2 1256 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,0,0,1,0,0|2,0,0]=3 1257 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,0,0,1,0,0|2,0,0]=3 1258 B8R1.4 CC1CCCC(C1)Br MCULE-5316207726 [0,0,0,1,0,0|2,0,1]=4 1259 B8R1.4 CC1CCCC(C1)C MCULE-4586744389 [0,0,0,1,0,0|2,0,1]=4 1260 B8R1.4 CC1CCCC(C1)N MCULE-5556282713 [0,0,0,1,0,0|2,0,1]=4 1261 B8R1.4 CC1CCCC(C1)N MCULE-8731144009 [0,0,0,1,0,0|2,0,1]=4 1262 B8R1.4 CC1CCCC(C1)O MCULE-5839979596 [0,0,0,1,0,0|1,0,1]=3 1263 B8R1.4 CC1CCCC(C1)S MCULE-6656207820 [0,0,0,1,0,0|1,1,1]=4 1264 B8R1.4 CC1CCC[C@H](C1)O MCULE-8817611474 [0,0,0,1,0,0|1,0,1]=3 1265 B8R1.4 CC1CCN=C(S1)N MCULE-2188659606 [0,0,0,1,0,0|3,0,0]=4 1266 B8R1.4 CC1CCN=C(S1)N MCULE-8502352820 [0,0,0,1,0,0|3,0,0]=4 1267 B8R1.4 CC1CCNC(=N)C1 MCULE-2615774284 [0,0,0,1,0,0|2,0,0]=3 1268 B8R1.4 CC1CCNC(=N)C1 MCULE-9034088725 [0,0,0,1,0,0|2,0,0]=3 1269 B8R1.4 CC1CCNC(=O)C1 MCULE-8903018599 [0,0,0,1,0,0|1,0,0]=2 1270 B8R1.4 CC1CCNC(=O)N1 MCULE-6491047836 [0,0,0,1,0,0|2,0,0]=3 1271 B8R1.4 CC1CCNC(C1)C MCULE-8040810294 [0,0,0,1,0,0|2,0,1]=4 1272 B8R1.4 CC1CCNC(C1)C MCULE-8404028981 [0,0,0,1,0,0|2,0,1]=4 1273 B8R1.4 CC1CCOB(O1)O MCULE-4196565139 [0,0,0,1,0,0|2,0,1]=4 1274 B8R1.4 CC1CCOC(=O)C1 MCULE-2682865017 [0,0,0,1,0,0|0,0,0]=1 1275 B8R1.4 CC1CCOC(=O)O1 MCULE-5929311811 [0,0,0,1,0,0|1,0,0]=2 1276 B8R1.4 CC1CCOC(O1)C MCULE-1813287934 [0,0,0,1,0,0|2,0,1]=4 1277 B8R1.4 CC1CCOS(=O)O1 MCULE-8688981983 [0,0,0,1,0,0|2,0,0]=3 1278 B8R1.4 CC1CNCC(=O)N1 MCULE-5727167900 [0,0,0,1,0,0|3,0,0]=4 1279 B8R1.4 CC1CNCC(=O)N1 MCULE-9599432640 [0,0,0,1,0,0|3,0,0]=4 1280 B8R1.4 CC1CNCC(C1)O MCULE-3984160340 [0,0,0,1,0,0|2,0,1]=4 1281 B8R1.4 CC1CNCC(C1)O MCULE-8485435970 [0,0,0,1,0,0|2,0,1]=4 1282 B8R1.4 CC1COCC(=O)N1 MCULE-4768427051 [0,0,0,1,0,0|3,0,0]=4 1283 B8R1.4 CC1COCC(=O)N1 MCULE-5909800781 [0,0,0,1,0,0|3,0,0]=4 1284 B8R1.4 CC1CS(=O)CCN1 MCULE-1283703183 [0,0,0,1,0,0|3,0,0]=4 1285 B8R1.4 CN1CCC=C(C1)Br MCULE-2257933393 [0,0,0,1,0,0|3,0,0]=4 1286 B8R1.4 CN1CCC=C(C1)Br MCULE-5744160461 [0,0,0,1,0,0|3,0,0]=4 1287 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,0,0,1,0,0|2,0,0]=3 1288 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,0,0,1,0,0|2,0,0]=3 1289 B8R1.4 CN1CCCC(C1)O MCULE-1282411969 [0,0,0,1,0,0|2,0,1]=4 1290 B8R1.4 CN1CCCC(C1)O MCULE-5914090374 [0,0,0,1,0,0|2,0,1]=4 1291 B8R1.4 CN1CCC[C@@H](C1)O MCULE-7507199450 [0,0,0,1,0,0|2,0,1]=4 1292 B8R1.4 CN1CCC[C@@H](C1)O MCULE-7595542900 [0,0,0,1,0,0|2,0,1]=4 1293 B8R1.4 CN1CCC[C@H](C1)O MCULE-1943345564 [0,0,0,1,0,0|2,0,1]=4 1294 B8R1.4 CN1CCC[C@H](C1)O MCULE-2523873601 [0,0,0,1,0,0|2,0,1]=4 1295 B8R1.4 CN1CCNC(=O)C1 MCULE-5564854834 [0,0,0,1,0,0|2,0,0]=3 1296 B8R1.4 CN1CCOC(=O)C1 MCULE-2224720964 [0,0,0,1,0,0|1,0,0]=2 1297 B8R1.4 CN1CCOC(=O)C1 MCULE-9163078129 [0,0,0,1,0,0|1,0,0]=2 1298 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,0,0,1,0,0|2,0,0]=3 1299 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,0,0,1,0,0|2,0,0]=3 1300 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,0,0,1,0,0|2,0,0]=3 1301 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,0,0,1,0,0|2,0,0]=3 1302 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,0,0,1,0,0|2,0,0]=3 1303 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,0,0,1,0,0|2,0,0]=3 1304 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,0,0,1,0,0|1,0,0]=2 1305 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,0,0,1,0,0|1,0,0]=2 1306 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,0,0,1,0,0|2,0,0]=3 1307 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,0,0,1,0,0|2,0,0]=3 1308 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,0,0,1,0,0|2,0,0]=3 1309 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,0,0,1,0,0|2,0,0]=3 1310 B8R1.4 C[C@@H]1CCC[C@@H](C1)N MCULE-4415985299 [0,0,0,1,0,0|2,0,1]=4 1311 B8R1.4 C[C@@H]1CCC[C@@H](C1)N MCULE-8377118927 [0,0,0,1,0,0|2,0,1]=4 1312 B8R1.4 C[C@@H]1CCC[C@@H](C1)O MCULE-9818117668 [0,0,0,1,0,0|1,0,1]=3 1313 B8R1.4 C[C@@H]1CCC[C@H](C1)C MCULE-3238245504 [0,0,0,1,0,0|2,0,1]=4 1314 B8R1.4 C[C@@H]1CCC[C@H](C1)C MCULE-5078558305 [0,0,0,1,0,0|2,0,1]=4 1315 B8R1.4 C[C@@H]1CCC[C@H](C1)N MCULE-8122076410 [0,0,0,1,0,0|2,0,1]=4 1316 B8R1.4 C[C@@H]1CCC[C@H](C1)N MCULE-8755565938 [0,0,0,1,0,0|2,0,1]=4 1317 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-5066686774 [0,0,0,1,0,0|3,0,0]=4 1318 B8R1.4 C[C@@H]1CCN=C(S1)N MCULE-6965708093 [0,0,0,1,0,0|3,0,0]=4 1319 B8R1.4 C[C@@H]1CCN[C@@H](C1)C MCULE-1028257294 [0,0,0,1,0,0|2,0,1]=4 1320 B8R1.4 C[C@@H]1CCN[C@@H](C1)C MCULE-6672836947 [0,0,0,1,0,0|2,0,1]=4 1321 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-3378865379 [0,0,0,1,0,0|3,0,0]=4 1322 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-5740698320 [0,0,0,1,0,0|3,0,0]=4 1323 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-7692987274 [0,0,0,1,0,0|3,0,0]=4 1324 B8R1.4 C[C@@H]1CNCC(=O)N1 MCULE-8897582822 [0,0,0,1,0,0|3,0,0]=4 1325 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-1758598852 [0,0,0,1,0,0|3,0,0]=4 1326 B8R1.4 C[C@@H]1COCC(=O)N1 MCULE-2011395384 [0,0,0,1,0,0|3,0,0]=4 1327 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-4140093728 [0,0,0,1,0,0|2,0,1]=4 1328 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-5163618886 [0,0,0,1,0,0|2,0,1]=4 1329 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-7763919398 [0,0,0,1,0,0|2,0,1]=4 1330 B8R1.4 C[C@@H]1C[C@@H](CCN1)O MCULE-8618284571 [0,0,0,1,0,0|2,0,1]=4 1331 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-5401313109 [0,0,0,1,0,0|2,0,1]=4 1332 B8R1.4 C[C@@H]1C[C@@H](CCO1)N MCULE-6369939467 [0,0,0,1,0,0|2,0,1]=4 1333 B8R1.4 C[C@@H]1C[C@@H](CCO1)O MCULE-6251959536 [0,0,0,1,0,0|2,0,1]=4 1334 B8R1.4 C[C@@H]1C[C@H](CCN1)O MCULE-6703272966 [0,0,0,1,0,0|2,0,1]=4 1335 B8R1.4 C[C@@H]1C[C@H](CCO1)Br MCULE-5055630042 [0,0,0,1,0,0|2,0,1]=4 1336 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-3414529082 [0,0,0,1,0,0|2,0,1]=4 1337 B8R1.4 C[C@@H]1C[C@H](CCO1)N MCULE-9424615508 [0,0,0,1,0,0|2,0,1]=4 1338 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,0,0,1,0,0|2,0,0]=3 1339 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,0,0,1,0,0|2,0,0]=3 1340 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,0,0,1,0,0|2,0,0]=3 1341 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,0,0,1,0,0|2,0,0]=3 1342 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,0,0,1,0,0|2,0,0]=3 1343 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,0,0,1,0,0|2,0,0]=3 1344 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,0,0,1,0,0|2,0,0]=3 1345 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,0,0,1,0,0|1,0,0]=2 1346 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,0,0,1,0,0|1,0,0]=2 1347 B8R1.4 C[C@H]1CCC[C@H](C1)C MCULE-7889833647 [0,0,0,1,0,0|2,0,1]=4 1348 B8R1.4 C[C@H]1CCC[C@H](C1)N MCULE-5054508849 [0,0,0,1,0,0|2,0,1]=4 1349 B8R1.4 C[C@H]1CCC[C@H](C1)O MCULE-9355825371 [0,0,0,1,0,0|1,0,1]=3 1350 B8R1.4 C[C@H]1CCNC(=O)C1 MCULE-7120988665 [0,0,0,1,0,0|1,0,0]=2 1351 B8R1.4 C[C@H]1CCN[C@H](C1)C MCULE-3280721182 [0,0,0,1,0,0|2,0,1]=4 1352 B8R1.4 C[C@H]1CCN[C@H](C1)C MCULE-4356238844 [0,0,0,1,0,0|2,0,1]=4 1353 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3182538973 [0,0,0,1,0,0|3,0,0]=4 1354 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-3207104811 [0,0,0,1,0,0|3,0,0]=4 1355 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-5895954143 [0,0,0,1,0,0|3,0,0]=4 1356 B8R1.4 C[C@H]1CNCC(=O)N1 MCULE-6535652978 [0,0,0,1,0,0|3,0,0]=4 1357 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-5693624195 [0,0,0,1,0,0|3,0,0]=4 1358 B8R1.4 C[C@H]1COCC(=O)N1 MCULE-8476323396 [0,0,0,1,0,0|3,0,0]=4 1359 B8R1.4 C[C@H]1C[C@@H](CCN1)O MCULE-1694554479 [0,0,0,1,0,0|2,0,1]=4 1360 B8R1.4 C[C@H]1C[C@@H](CCO1)N MCULE-1731421927 [0,0,0,1,0,0|2,0,1]=4 1361 B8R1.4 C[C@H]1C[C@@H](CCO1)O MCULE-3846187212 [0,0,0,1,0,0|2,0,1]=4 1362 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2129467220 [0,0,0,1,0,0|2,0,1]=4 1363 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2293561927 [0,0,0,1,0,0|2,0,1]=4 1364 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2465229358 [0,0,0,1,0,0|2,0,1]=4 1365 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-2588665539 [0,0,0,1,0,0|2,0,1]=4 1366 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-4194322726 [0,0,0,1,0,0|2,0,1]=4 1367 B8R1.4 C[C@H]1C[C@H](CCN1)O MCULE-4666938059 [0,0,0,1,0,0|2,0,1]=4 1368 B8R1.4 C[C@H]1C[C@H](CCO1)N MCULE-6954386064 [0,0,0,1,0,0|2,0,1]=4 1369 B8R1.4 C[C@H]1C[C@H](CCO1)O MCULE-3007764630 [0,0,0,1,0,0|2,0,1]=4 1370 B8R1.4 NC1CCCC(=O)C1 MCULE-3659606498 [0,0,0,1,0,0|2,0,0]=3 1371 B8R1.4 NC1CCCC(=O)C1 MCULE-8815445353 [0,0,0,1,0,0|2,0,0]=3 1372 B8R1.4 NC1CCCC(C1)O MCULE-6642881941 [0,0,0,1,0,0|2,0,1]=4 1373 B8R1.4 NC1CCCC(C1)O MCULE-7481733301 [0,0,0,1,0,0|2,0,1]=4 1374 B8R1.4 NC1CCNC(=O)C1 MCULE-2185303732 [0,0,0,1,0,0|2,0,0]=3 1375 B8R1.4 NC1CCNC(=O)C1 MCULE-4290135082 [0,0,0,1,0,0|2,0,0]=3 1376 B8R1.4 NC1CCNC(=O)C1 MCULE-6525283699 [0,0,0,1,0,0|2,0,0]=3 1377 B8R1.4 NC1CCNC(=O)C1 MCULE-8080194775 [0,0,0,1,0,0|2,0,0]=3 1378 B8R1.4 NC1COCC(=O)C1 MCULE-4958107203 [0,0,0,1,0,0|3,0,0]=4 1379 B8R1.4 NC1COCC(=O)C1 MCULE-9645630994 [0,0,0,1,0,0|3,0,0]=4 1380 B8R1.4 N[C@@H]1CCCC(=O)C1 MCULE-4006583256 [0,0,0,1,0,0|2,0,0]=3 1381 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-2185895220 [0,0,0,1,0,0|2,0,1]=4 1382 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-6878512399 [0,0,0,1,0,0|2,0,1]=4 1383 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-7794771906 [0,0,0,1,0,0|2,0,1]=4 1384 B8R1.4 N[C@@H]1CCC[C@@H](C1)O MCULE-9600913098 [0,0,0,1,0,0|2,0,1]=4 1385 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-3943542357 [0,0,0,1,0,0|2,0,1]=4 1386 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-7462583711 [0,0,0,1,0,0|2,0,1]=4 1387 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-8163415958 [0,0,0,1,0,0|2,0,1]=4 1388 B8R1.4 N[C@@H]1CCC[C@H](C1)O MCULE-9050533878 [0,0,0,1,0,0|2,0,1]=4 1389 B8R1.4 N[C@@H]1CCNC(=O)C1 MCULE-8276559925 [0,0,0,1,0,0|2,0,0]=3 1390 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-3299834957 [0,0,0,1,0,0|3,0,0]=4 1391 B8R1.4 N[C@@H]1COCC(=O)C1 MCULE-6683156371 [0,0,0,1,0,0|3,0,0]=4 1392 B8R1.4 N[C@H]1CCCC(=O)C1 MCULE-9786035316 [0,0,0,1,0,0|2,0,0]=3 1393 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-2088777566 [0,0,0,1,0,0|2,0,1]=4 1394 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-6052884406 [0,0,0,1,0,0|2,0,1]=4 1395 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-7145455722 [0,0,0,1,0,0|2,0,1]=4 1396 B8R1.4 N[C@H]1CCC[C@@H](C1)O MCULE-8458598098 [0,0,0,1,0,0|2,0,1]=4 1397 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-1402442931 [0,0,0,1,0,0|2,0,1]=4 1398 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-2566868682 [0,0,0,1,0,0|2,0,1]=4 1399 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-8263508625 [0,0,0,1,0,0|2,0,1]=4 1400 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9158452946 [0,0,0,1,0,0|2,0,1]=4 1401 B8R1.4 N[C@H]1CCC[C@H](C1)O MCULE-9908500977 [0,0,0,1,0,0|2,0,1]=4 1402 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-1641151984 [0,0,0,1,0,0|2,0,0]=3 1403 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-2042394403 [0,0,0,1,0,0|2,0,0]=3 1404 B8R1.4 N[C@H]1CCNC(=O)C1 MCULE-6400271298 [0,0,0,1,0,0|2,0,0]=3 1405 B8R1.4 O=C1CC(CCN1)F MCULE-3828280868 [0,0,0,1,0,0|2,0,0]=3 1406 B8R1.4 O=C1CC(CCN1)F MCULE-8150833328 [0,0,0,1,0,0|2,0,0]=3 1407 B8R1.4 O=C1CC(CCN1)O MCULE-5400068518 [0,0,0,1,0,0|2,0,0]=3 1408 B8R1.4 O=C1CC(CCN1)O MCULE-8702086069 [0,0,0,1,0,0|2,0,0]=3 1409 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,0,0,1,0,0|2,0,1]=4 1410 B8R1.4 O=C1CCCC(C1)O MCULE-3100717907 [0,0,0,1,0,0|2,0,0]=3 1411 B8R1.4 O=C1CCC[C@@H](C1)O MCULE-3841179351 [0,0,0,1,0,0|2,0,0]=3 1412 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,0,0,1,0,0|2,0,1]=4 1413 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,0,0,1,0,0|1,0,1]=3 1414 B8R1.4 O=C1COCC(C1)O MCULE-6056926421 [0,0,0,1,0,0|3,0,0]=4 1415 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-8279613188 [0,0,0,1,0,0|2,0,0]=3 1416 B8R1.4 O=C1C[C@@H](CCN1)O MCULE-9911849866 [0,0,0,1,0,0|2,0,0]=3 1417 B8R1.4 O=C1C[C@H](CCN1)O MCULE-3843806479 [0,0,0,1,0,0|2,0,0]=3 1418 B8R1.4 O=C1C[C@H](CCN1)O MCULE-9127195212 [0,0,0,1,0,0|2,0,0]=3 1419 B8R1.4 OC1CCCC(C1)O MCULE-5377622416 [0,0,0,1,0,0|2,0,1]=4 1420 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-1135108851 [0,0,0,1,0,0|2,0,1]=4 1421 B8R1.4 O[C@@H]1CCC[C@H](C1)O MCULE-4488851523 [0,0,0,1,0,0|2,0,1]=4 1422 B8R1.4 O[C@H]1CCC[C@@H](C1)O MCULE-4718573149 [0,0,0,1,0,0|2,0,1]=4 1423 B8R1.4 O[C@H]1CCC[C@H](C1)O MCULE-9402957017 [0,0,0,1,0,0|2,0,1]=4 1424 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,0,0,1,0,0|2,0,0]=3 1425 B8R1.4 [C@@H]1(CCC[C@@H](C1)N)C MCULE-3863430976 [0,0,0,1,0,0|2,0,1]=4 1426 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-1919170190 [0,0,0,1,0,0|2,0,1]=4 1427 B8R1.4 [C@H]1(CCC[C@H](C1)O)N MCULE-2985238129 [0,0,0,1,0,0|2,0,1]=4 1428 B8R1.18 CC1=C(OC(=O)N1)C MCULE-9563427028 [0,0,0,1,0,0|1,0,2]=4 1429 B8R1.18 CC1=C(OC(=O)O1)C MCULE-2205012091 [0,0,0,1,0,0|1,0,2]=4 1430 B8R1.18 CC1=CC(=O)CC1C MCULE-9587444246 [0,0,0,1,0,0|1,0,1]=3 1431 B8R1.18 CC1=CC(=O)OC1O MCULE-2111708862 [0,0,0,1,0,0|1,0,2]=4 1432 B8R1.18 CC1=CC(=O)O[C@@H]1O MCULE-3894053073 [0,0,0,1,0,0|1,0,2]=4 1433 B8R1.18 CC1=NC(C(S1)C)C MCULE-1424136465 [0,0,0,1,0,0|2,1,0]=4 1434 B8R1.18 CC1CC(=O)CN1C MCULE-3142275674 [0,0,0,1,0,0|2,0,0]=3 1435 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,0,0,1,0,0|2,0,1]=4 1436 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,0,0,1,0,0|1,0,1]=3 1437 B8R1.18 CC1CC(=O)OC1C MCULE-3906254123 [0,0,0,1,0,0|0,0,0]=1 1438 B8R1.18 CC1CC(=O)OC1O MCULE-7140241012 [0,0,0,1,0,0|1,0,0]=2 1439 B8R1.18 CC1CC(C(O1)C)N MCULE-3274169856 [0,0,0,1,0,0|2,0,1]=4 1440 B8R1.18 CC1CC(C(O1)C)N MCULE-9455862703 [0,0,0,1,0,0|2,0,1]=4 1441 B8R1.18 CC1CC(C(O1)C)S MCULE-4786793091 [0,0,0,1,0,0|2,0,1]=4 1442 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,0,0,1,0,0|2,0,1]=4 1443 B8R1.18 CC1NC(=O)CC1O MCULE-6370955032 [0,0,0,1,0,0|2,0,0]=3 1444 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,0,0,1,0,0|2,0,1]=4 1445 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,0,0,1,0,0|2,0,1]=4 1446 B8R1.18 CC1NC(=O)OC1C MCULE-5204749893 [0,0,0,1,0,0|1,0,0]=2 1447 B8R1.18 CC1OC(=O)C=C1O MCULE-1494473960 [0,0,0,1,0,0|1,0,2]=4 1448 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,0,0,1,0,0|2,0,1]=4 1449 B8R1.18 CC1OC(=O)OC1C MCULE-1302025126 [0,0,0,1,0,0|1,0,0]=2 1450 B8R1.18 CC1OS(=O)OC1C MCULE-8578188591 [0,0,0,1,0,0|2,0,0]=3 1451 B8R1.18 CN1CC(=O)OC1=O MCULE-7537862268 [0,0,0,1,0,0|2,0,1]=4 1452 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,0,0,1,0,0|2,0,1]=4 1453 B8R1.18 C[C@@H]1NC(=O)C[C@@H]1O MCULE-5647492108 [0,0,0,1,0,0|2,0,0]=3 1454 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,0,0,1,0,0|2,0,1]=4 1455 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,0,0,1,0,0|2,0,1]=4 1456 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,0,0,1,0,0|1,0,1]=3 1457 B8R1.18 C[C@H]1CC(=O)O[C@H]1C MCULE-7756599719 [0,0,0,1,0,0|0,0,0]=1 1458 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,0,0,1,0,0|2,0,1]=4 1459 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,0,0,1,0,0|2,0,1]=4 1460 B8R1.18 NC1CC(=O)OC1=O MCULE-1406790351 [0,0,0,1,0,0|2,0,1]=4 1461 B8R1.18 NC1CC(=O)OC1=O MCULE-2807590870 [0,0,0,1,0,0|2,0,1]=4 1462 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-1937927503 [0,0,0,1,0,0|2,0,1]=4 1463 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-2080587685 [0,0,0,1,0,0|2,0,1]=4 1464 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-8793349665 [0,0,0,1,0,0|2,0,1]=4 1465 B8R1.18 N[C@@H]1CC(=O)OC1=O MCULE-9640337170 [0,0,0,1,0,0|2,0,1]=4 1466 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-3191926438 [0,0,0,1,0,0|2,0,1]=4 1467 B8R1.18 N[C@H]1CC(=O)OC1=O MCULE-4503342222 [0,0,0,1,0,0|2,0,1]=4 1468 B8R1.18 O=C1OC(C(O1)Cl)Cl MCULE-2346794223 [0,0,0,1,0,0|3,0,0]=4 1469 B8R1.18 O=C1O[C@@H]([C@H](O1)F)F MCULE-7614704509 [0,0,0,1,0,0|3,0,0]=4 1470 B8R1.20 CC1CC1CC(=O)O MCULE-3151390667 [0,0,0,1,0,0|0,0,0]=1 1471 B8R1.20 CC1CC1NC(=S)N MCULE-2224830291 [0,0,0,1,0,0|2,1,0]=4 1472 B8R1.31 C1(CCN1C)C(=O)O MCULE-3478640390 [0,0,0,1,0,0|1,0,0]=2 1473 B8R1.31 C=C1CCC1C(=O)O MCULE-7307560863 [0,0,0,1,0,0|0,0,2]=3 1474 B8R1.31 CC(=O)[C@@H]1CC[C@H]1C MCULE-1543129128 [0,0,0,1,0,0|1,0,0]=2 1475 B8R1.31 CC(O)C1CCC1F MCULE-2872972823 [0,0,0,1,0,0|2,0,1]=4 1476 B8R1.31 CC1CCC1C(=O)O MCULE-2755332087 [0,0,0,1,0,0|0,0,0]=1 1477 B8R1.31 CC1CNC1C(=O)O MCULE-4084486339 [0,0,0,1,0,0|1,0,0]=2 1478 B8R1.31 CC1NCC1C(=O)O MCULE-3701314568 [0,0,0,1,0,0|1,0,0]=2 1479 B8R1.31 CN1CCC1C(=O)O MCULE-5037838055 [0,0,0,1,0,0|1,0,0]=2 1480 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-3293015609 [0,0,0,1,0,0|1,0,0]=2 1481 B8R1.31 CN1CC[C@@H]1C(=O)O MCULE-6726499104 [0,0,0,1,0,0|1,0,0]=2 1482 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-1519401164 [0,0,0,1,0,0|1,0,0]=2 1483 B8R1.31 CN1CC[C@H]1C(=O)O MCULE-2682368839 [0,0,0,1,0,0|1,0,0]=2 1484 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-6870930523 [0,0,0,1,0,0|1,0,0]=2 1485 B8R1.31 C[C@@H]1CN[C@@H]1C(=O)O MCULE-9495962068 [0,0,0,1,0,0|1,0,0]=2 1486 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-4996743185 [0,0,0,1,0,0|1,0,0]=2 1487 B8R1.31 C[C@@H]1NC[C@H]1C(=O)O MCULE-5548697786 [0,0,0,1,0,0|1,0,0]=2 1488 B8R1.31 NC1CCC1C(=O)O MCULE-1271890671 [0,0,0,1,0,0|1,0,0]=2 1489 B8R1.31 NC1CCC1C(=O)O MCULE-6203451123 [0,0,0,1,0,0|1,0,0]=2 1490 B8R1.31 N[C@@H]1CC[C@@H]1C(=O)O MCULE-7309195085 [0,0,0,1,0,0|1,0,0]=2 1491 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-1231832702 [0,0,0,1,0,0|1,0,0]=2 1492 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-4120413857 [0,0,0,1,0,0|1,0,0]=2 1493 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-7581321099 [0,0,0,1,0,0|1,0,0]=2 1494 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O MCULE-8814127531 [0,0,0,1,0,0|1,0,0]=2 1495 B8R1.31 N[C@H]1CC[C@@H]1C(=O)O MCULE-1877122488 [0,0,0,1,0,0|1,0,0]=2 1496 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-2323153571 [0,0,0,1,0,0|1,0,0]=2 1497 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3627026930 [0,0,0,1,0,0|1,0,0]=2 1498 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-3814908416 [0,0,0,1,0,0|1,0,0]=2 1499 B8R1.31 N[C@H]1CC[C@H]1C(=O)O MCULE-8552378194 [0,0,0,1,0,0|1,0,0]=2 1500 B8R1.31 O=C(O)C1CCC1F MCULE-6928594613 [0,0,0,1,0,0|1,0,0]=2 1501 B8R1.31 O=C(O)C1CCC1O MCULE-5612797663 [0,0,0,1,0,0|1,0,0]=2 1502 B8R1.31 O=C(O)[C@@H]1CC[C@H]1O MCULE-4502275905 [0,0,0,1,0,0|1,0,0]=2 1503 B8R1.31 O=C(O)[C@H]1CC[C@@H]1O MCULE-1446557503 [0,0,0,1,0,0|1,0,0]=2 1504 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-3693378535 [0,0,0,1,0,0|1,0,0]=2 1505 B8R1.31 [C@@H]1(CC[C@@H]1C(=O)O)N MCULE-4998471402 [0,0,0,1,0,0|1,0,0]=2 1506 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-1179436878 [0,0,0,1,0,0|1,0,0]=2 1507 B8R1.31 [C@@H]1(CC[C@H]1C(=O)O)N MCULE-6666180327 [0,0,0,1,0,0|1,0,0]=2 1508 B8R1.31 [C@@H]1(NC[C@H]1C)C(=O)O MCULE-4107819391 [0,0,0,1,0,0|1,0,0]=2 1509 B8R1.34 CC(=O)C=C1CCC1 MCULE-5198652682 [0,0,0,1,0,0|1,0,2]=4 1510 B8R1.34 CC(=O)CC1CCC1 MCULE-8119711389 [0,0,0,1,0,0|1,0,0]=2 1511 B8R1.34 CC(=O)CC1COC1 MCULE-8127220146 [0,0,0,1,0,0|2,0,0]=3 1512 B8R1.34 CC(=O)NC1CNC1 MCULE-8262716671 [0,0,0,1,0,0|3,0,0]=4 1513 B8R1.34 CC(=O)NC1CNC1 MCULE-9475906960 [0,0,0,1,0,0|3,0,0]=4 1514 B8R1.34 CC(=O)OC1CNC1 MCULE-1464943134 [0,0,0,1,0,0|3,0,0]=4 1515 B8R1.34 CC(=O)OC1CNC1 MCULE-2801618495 [0,0,0,1,0,0|3,0,0]=4 1516 B8R1.34 CC(=O)OC1CNC1 MCULE-5204587569 [0,0,0,1,0,0|3,0,0]=4 1517 B8R1.34 CC(=O)SC1CNC1 MCULE-7804874855 [0,0,0,1,0,0|3,0,0]=4 1518 B8R1.34 CC(=O)SC1COC1 MCULE-1737712664 [0,0,0,1,0,0|3,0,0]=4 1519 B8R1.34 CC(N)CC1CCC1 MCULE-4587444267 [0,0,0,1,0,0|2,0,1]=4 1520 B8R1.34 CC(N)CC1CCC1 MCULE-8222419555 [0,0,0,1,0,0|2,0,1]=4 1521 B8R1.34 CC(O)CN1CCC1 MCULE-5888012727 [0,0,0,1,0,0|2,0,1]=4 1522 B8R1.34 CN(C)CC1CCC1 MCULE-1528607313 [0,0,0,1,0,0|3,0,0]=4 1523 B8R1.34 N=C(N)CC1CCC1 MCULE-7694021103 [0,0,0,1,0,0|2,0,0]=3 1524 B8R1.34 NC(=O)CC1CNC1 MCULE-3085452095 [0,0,0,1,0,0|2,0,0]=3 1525 B8R1.34 NC(=O)CC1CNC1 MCULE-7868797282 [0,0,0,1,0,0|2,0,0]=3 1526 B8R1.34 NC(=O)NC1CCC1 MCULE-4153424610 [0,0,0,1,0,0|2,0,0]=3 1527 B8R1.34 NC(=O)OC1CNC1 MCULE-1968679475 [0,0,0,1,0,0|3,0,0]=4 1528 B8R1.34 NC(=O)OC1CNC1 MCULE-9969958473 [0,0,0,1,0,0|3,0,0]=4 1529 B8R1.34 NC(=S)CC1CCC1 MCULE-7458307170 [0,0,0,1,0,0|1,1,0]=3 1530 B8R1.34 NC(=S)NC1CCC1 MCULE-2018899467 [0,0,0,1,0,0|2,1,0]=4 1531 B8R1.34 O=C(Cl)CC1CCC1 MCULE-4282346796 [0,0,0,1,0,0|1,0,0]=2 1532 B8R1.34 O=C(O)C=C1CCC1 MCULE-7015909117 [0,0,0,1,0,0|0,0,2]=3 1533 B8R1.34 O=C(O)CC1CCC1 MCULE-3720911045 [0,0,0,1,0,0|0,0,0]=1 1534 B8R1.34 O=C(O)CC1CCN1 MCULE-4161960358 [0,0,0,1,0,0|1,0,0]=2 1535 B8R1.34 O=C(O)CC1CCO1 MCULE-7021545652 [0,0,0,1,0,0|1,0,0]=2 1536 B8R1.34 O=C(O)CC1CNC1 MCULE-4671495498 [0,0,0,1,0,0|1,0,0]=2 1537 B8R1.34 O=C(O)CC1CNC1 MCULE-5456583939 [0,0,0,1,0,0|1,0,0]=2 1538 B8R1.34 O=C(O)CC1CNC1 MCULE-9655427403 [0,0,0,1,0,0|1,0,0]=2 1539 B8R1.34 O=C(O)CC1COC1 MCULE-1090518485 [0,0,0,1,0,0|1,0,0]=2 1540 B8R1.34 O=C(O)CC1CSC1 MCULE-1573505481 [0,0,0,1,0,0|1,0,0]=2 1541 B8R1.34 O=C(O)CN1CCC1 MCULE-2649525817 [0,0,0,1,0,0|1,0,0]=2 1542 B8R1.34 O=C(O)CN1CCC1 MCULE-6889274435 [0,0,0,1,0,0|1,0,0]=2 1543 B8R1.34 O=C([O-])CC1COC1 MCULE-8848528767 [0,0,0,1,0,0|1,0,1]=3 1544 B8R1.34 O=N(=O)CC1COC1 MCULE-7925071797 [0,0,0,1,0,0|2,0,1]=4 1545 B8R1.40 CCN(C)CC1CO1 MCULE-7480512181 [0,0,0,1,0,0|2,0,1]=4 1546 B8R1.42 CC(=O)CC1(CC1)C MCULE-3117561505 [0,0,0,1,0,0|1,0,0]=2 1547 B8R1.42 CC(=O)OC1(CC1)C MCULE-8484243192 [0,0,0,1,0,0|2,0,0]=3 1548 B8R1.42 CC1(CC1)CC(=O)O MCULE-1590977154 [0,0,0,1,0,0|0,0,0]=1 1549 B8R1.42 CC1(CC1)NC(=O)N MCULE-2689884910 [0,0,0,1,0,0|2,0,0]=3 1550 B8R1.42 CC1(N=N1)CC(=O)O MCULE-1987955811 [0,0,0,1,0,0|2,0,0]=3 1551 B8R1.42 NC1(CC1)CC(=O)O MCULE-3593224967 [0,0,0,1,0,0|1,0,0]=2 1552 B8R1.42 NC1(CC1)CC(=O)O MCULE-8049209917 [0,0,0,1,0,0|1,0,0]=2 1553 B8R1.42 O=C(O)CC1(CC1)O MCULE-1745399123 [0,0,0,1,0,0|1,0,0]=2 1554 B8R1.43 C#CC1CC1C(=O)O MCULE-3287712150 [0,0,0,1,0,0|0,0,2]=3 1555 B8R1.43 C#C[C@@H]1C[C@H]1C(=O)O MCULE-3682886945 [0,0,0,1,0,0|0,0,2]=3 1556 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-7332146893 [0,0,0,1,0,0|0,0,2]=3 1557 B8R1.43 C#C[C@H]1C[C@@H]1C(=O)O MCULE-8247580113 [0,0,0,1,0,0|0,0,2]=3 1558 B8R1.43 C#C[C@H]1C[C@H]1C(=O)O MCULE-7681925135 [0,0,0,1,0,0|0,0,2]=3 1559 B8R1.43 C=C[C@@H]1C[C@H]1C(=O)O MCULE-6323262453 [0,0,0,1,0,0|0,0,2]=3 1560 B8R1.43 C=C[C@H]1C[C@H]1C(=O)O MCULE-6983531899 [0,0,0,1,0,0|0,0,2]=3 1561 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,0,0,1,0,0|0,0,0]=1 1562 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,0,0,1,0,0|0,0,0]=1 1563 B8R1.43 COC1CC1C(=O)O MCULE-8490015991 [0,0,0,1,0,0|1,0,0]=2 1564 B8R1.43 N#CC1CC1C(=O)O MCULE-9124706645 [0,0,0,1,0,0|1,0,1]=3 1565 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-5445653149 [0,0,0,1,0,0|1,0,1]=3 1566 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O MCULE-6130530861 [0,0,0,1,0,0|1,0,1]=3 1567 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-3330628556 [0,0,0,1,0,0|1,0,1]=3 1568 B8R1.43 N#C[C@H]1C[C@H]1C(=O)O MCULE-6684718700 [0,0,0,1,0,0|1,0,1]=3 1569 B8R1.43 NC(=O)C1CC1CO MCULE-3191620985 [0,0,0,1,0,0|2,0,0]=3 1570 B8R1.43 NCC1CC1C(=O)O MCULE-8216751454 [0,0,0,1,0,0|1,0,0]=2 1571 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-3415372050 [0,0,0,1,0,0|1,0,0]=2 1572 B8R1.43 NC[C@@H]1C[C@H]1C(=O)O MCULE-6765918556 [0,0,0,1,0,0|1,0,0]=2 1573 B8R1.43 O=C(O)C1CC1CCl MCULE-8596410287 [0,0,0,1,0,0|1,0,0]=2 1574 B8R1.43 O=C(O)C1CC1CF MCULE-8263605468 [0,0,0,1,0,0|1,0,0]=2 1575 B8R1.43 O=C(O)C1CC1CO MCULE-5433690867 [0,0,0,1,0,0|1,0,0]=2 1576 B8R1.43 O=C(O)[C@@H]1C[C@H]1CCl MCULE-7560724994 [0,0,0,1,0,0|1,0,0]=2 1577 B8R1.43 O=C(O)[C@@H]1C[C@H]1CO MCULE-9657133495 [0,0,0,1,0,0|1,0,0]=2 1578 B8R1.43 O=C(O)[C@H]1C[C@@H]1CO MCULE-1395497386 [0,0,0,1,0,0|1,0,0]=2 1579 B8R1.43 [C@@H]1(C[C@H]1C(=O)O)C#N MCULE-9124193326 [0,0,0,1,0,0|1,0,1]=3 1580 B8R1.43 [C@H]1(C[C@H]1C(=O)O)C#N MCULE-3751215343 [0,0,0,1,0,0|1,0,1]=3 1581 B8R1.51 CC1(CCC(C1)N)O MCULE-2662110764 [0,0,0,1,0,0|2,0,1]=4 1582 B8R1.51 CC1(CCC(C1)N)O MCULE-8421528641 [0,0,0,1,0,0|2,0,1]=4 1583 B8R1.51 CC1CCC(C1)(C)O MCULE-5369529521 [0,0,0,1,0,0|1,0,1]=3 1584 B8R1.51 CC1CCS(=O)(=O)C1 MCULE-8205416735 [0,0,0,1,0,0|1,0,1]=3 1585 B8R1.51 CC1CCS(=O)(=O)N1 MCULE-7593233575 [0,0,0,1,0,0|2,0,1]=4 1586 B8R1.51 CC1CCS(=O)(=O)O1 MCULE-3194494728 [0,0,0,1,0,0|2,0,1]=4 1587 B8R1.51 CC1CNS(=O)(=O)C1 MCULE-2299608411 [0,0,0,1,0,0|2,0,1]=4 1588 B8R1.51 CC1COS(=O)(=O)C1 MCULE-3208476537 [0,0,0,1,0,0|2,0,1]=4 1589 B8R1.51 C[C@]1(CC[C@@H](C1)N)O MCULE-4320731186 [0,0,0,1,0,0|2,0,1]=4 1590 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-3664794949 [0,0,0,1,0,0|2,0,1]=4 1591 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-4987844102 [0,0,0,1,0,0|2,0,1]=4 1592 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-6173061448 [0,0,0,1,0,0|2,0,1]=4 1593 B8R1.51 NC1CCS(=O)(=O)C1 MCULE-8024346240 [0,0,0,1,0,0|2,0,1]=4 1594 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-5491077502 [0,0,0,1,0,0|2,0,1]=4 1595 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-6127452891 [0,0,0,1,0,0|2,0,1]=4 1596 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-8245544049 [0,0,0,1,0,0|2,0,1]=4 1597 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 MCULE-8690512997 [0,0,0,1,0,0|2,0,1]=4 1598 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-2755321215 [0,0,0,1,0,0|2,0,1]=4 1599 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-3468273378 [0,0,0,1,0,0|2,0,1]=4 1600 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-7343668152 [0,0,0,1,0,0|2,0,1]=4 1601 B8R1.51 N[C@H]1CCS(=O)(=O)C1 MCULE-9897703297 [0,0,0,1,0,0|2,0,1]=4 1602 B8R1.51 O=S1(=O)CCC(C1)Br MCULE-7705924050 [0,0,0,1,0,0|2,0,1]=4 1603 B8R1.51 O=S1(=O)CCC(C1)Cl MCULE-6623260684 [0,0,0,1,0,0|2,0,1]=4 1604 B8R1.51 O=S1(=O)CCC(C1)I MCULE-8157194528 [0,0,0,1,0,0|2,0,1]=4 1605 B8R1.51 O=S1(=O)CCC(C1)O MCULE-3784616685 [0,0,0,1,0,0|2,0,1]=4 1606 B8R1.51 O=S1(=O)CCC(C1)S MCULE-5583339693 [0,0,0,1,0,0|2,0,1]=4 1607 B8R1.51 [NH3+]C1CCS(=O)(=O)C1 MCULE-9144849902 [0,0,0,1,0,0|2,0,1]=4 1608 B8R1.53 CC1(CC(C1)CN)O MCULE-7937499181 [0,0,0,1,0,0|2,0,1]=4 1609 B8R1.53 CC1(CC(C1)CN)O MCULE-8215295434 [0,0,0,1,0,0|2,0,1]=4 1610 B8R1.53 CC1(CC(C1)CO)O MCULE-8748762687 [0,0,0,1,0,0|2,0,1]=4 1611 B8R1.53 CNC1CS(=O)(=O)C1 MCULE-1043461119 [0,0,0,1,0,0|2,0,1]=4 1612 B8R1.53 CNC1CS(=O)(=O)C1 MCULE-3881477285 [0,0,0,1,0,0|2,0,1]=4 1613 B8R1.53 C[C@@]1(C[C@H](C1)CN)O MCULE-2105482458 [0,0,0,1,0,0|2,0,1]=4 1614 B8R1.53 C[C@@]1(C[C@H](C1)CN)O MCULE-8687149478 [0,0,0,1,0,0|2,0,1]=4 1615 B8R1.53 NCC1CS(=O)(=O)C1 MCULE-8319652338 [0,0,0,1,0,0|2,0,1]=4 1616 B8R1.53 NCC1CS(=O)(=O)C1 MCULE-9564522493 [0,0,0,1,0,0|2,0,1]=4 1617 B8R1.53 O=S1(=O)CC(C1)CO MCULE-2778340142 [0,0,0,1,0,0|2,0,1]=4 1618 B8R1.53 [C@@H]1(C[C@](C1)(C)O)CN MCULE-6495615071 [0,0,0,1,0,0|2,0,1]=4 1619 B8R1.53 [C@@H]1(C[C@](C1)(C)O)CN MCULE-8603898788 [0,0,0,1,0,0|2,0,1]=4 1620 B8R1.62 C=C1CC(C1)(C)CO MCULE-1741458952 [0,0,0,1,0,0|3,0,0]=4 1621 B8R1.62 C=CC1(CC(=O)N1)C MCULE-1120869395 [0,0,0,1,0,0|1,0,2]=4 1622 B8R1.62 CC1(CC(=O)C1)C#N MCULE-4802252632 [0,0,0,1,0,0|2,0,1]=4 1623 B8R1.62 CC1(CC(=O)C1)CO MCULE-4643412830 [0,0,0,1,0,0|2,0,0]=3 1624 B8R1.62 CC1(CC(=O)N1)CCl MCULE-7182920776 [0,0,0,1,0,0|2,0,0]=3 1625 B8R1.67 C[C@H]1[C@H]([C@@H]1C(=O)O)C MCULE-2637094670 [0,0,0,1,0,0|0,0,0]=1 1626 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,0,0,0,1,0|1,0,2]=4 1627 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,0,0,0,1,0|1,0,0]=2 1628 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,0,0,0,1,0|3,0,0]=4 1629 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,0,0,0,1,0|3,0,0]=4 1630 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,0,0,0,1,0|0,0,2]=3 1631 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,0,0,0,1,0|1,0,2]=4 1632 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,0,0,0,1,0|0,0,2]=3 1633 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,0,0,0,1,0|1,0,2]=4 1634 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,0,0,0,1,0|2,0,0]=3 1635 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,0,0,0,1,0|1,0,2]=4 1636 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,0,0,0,1,0|0,0,2]=3 1637 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,0,0,0,1,0|1,0,2]=4 1638 B6R0.3 C=C(I)C(C)CI MCULE-8558127481 [0,0,0,0,1,0|3,0,0]=4 1639 B6R0.3 C=C(I)[C@H](C)CI MCULE-1089285398 [0,0,0,0,1,0|3,0,0]=4 1640 B6R0.3 C=C(I)[C@H](C)CI MCULE-5444456468 [0,0,0,0,1,0|3,0,0]=4 1641 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,0,0,0,1,0|1,0,2]=4 1642 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,0,0,0,1,0|0,0,2]=3 1643 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,0,0,0,1,0|1,0,2]=4 1644 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,0,0,0,1,0|1,0,2]=4 1645 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,0,0,0,1,0|1,0,2]=4 1646 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,0,0,0,1,0|1,0,2]=4 1647 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,0,0,0,1,0|1,0,2]=4 1648 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,0,0,0,1,0|0,0,2]=3 1649 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,0,0,0,1,0|1,0,2]=4 1650 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,0,0,0,1,0|1,0,2]=4 1651 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,0,0,0,1,0|1,0,2]=4 1652 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,0,0,0,1,0|0,0,2]=3 1653 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,0,0,0,1,0|0,0,2]=3 1654 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,0,0,0,1,0|0,0,2]=3 1655 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,0,0,0,1,0|1,0,2]=4 1656 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,0,0,0,1,0|1,0,2]=4 1657 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,0,0,0,1,0|1,0,2]=4 1658 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,0,0,0,1,0|1,0,2]=4 1659 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,0,0,0,1,0|1,0,2]=4 1660 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,0,0,0,1,0|2,0,1]=4 1661 B6R0.3 CC(=O)C(C)C#N MCULE-3849364002 [0,0,0,0,1,0|2,0,1]=4 1662 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,0,0,0,1,0|2,0,1]=4 1663 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,0,0,0,1,0|2,0,0]=3 1664 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,0,0,0,1,0|3,0,0]=4 1665 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,0,0,0,1,0|3,0,0]=4 1666 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [0,0,0,0,1,0|2,0,1]=4 1667 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,0,0,0,1,0|1,0,1]=3 1668 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,0,0,0,1,0|1,0,0]=2 1669 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,0,0,0,1,0|1,0,0]=2 1670 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,0,0,0,1,0|1,0,0]=2 1671 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,0,0,0,1,0|1,0,0]=2 1672 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,0,0,0,1,0|3,0,0]=4 1673 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,0,0,0,1,0|1,0,0]=2 1674 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,0,0,0,1,0|1,0,1]=3 1675 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,0,0,0,1,0|2,0,1]=4 1676 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,0,0,0,1,0|1,0,0]=2 1677 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,0,0,0,1,0|2,0,1]=4 1678 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [0,0,0,0,1,0|2,0,1]=4 1679 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,0,0,0,1,0|2,0,0]=3 1680 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,0,0,0,1,0|2,0,0]=3 1681 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,0,0,0,1,0|2,0,0]=3 1682 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,0,0,0,1,0|2,0,0]=3 1683 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,0,0,0,1,0|1,0,2]=4 1684 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,0,0,0,1,0|1,0,2]=4 1685 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [0,0,0,0,1,0|1,0,2]=4 1686 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,0,0,0,1,0|0,0,2]=3 1687 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,0,0,0,1,0|1,0,2]=4 1688 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,0,0,0,1,0|1,0,2]=4 1689 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,0,0,0,1,0|1,0,2]=4 1690 B6R0.3 CCC(=C(C)C)C MCULE-7258057243 [0,0,0,0,1,0|2,0,1]=4 1691 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,0,0,0,1,0|2,0,1]=4 1692 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,0,0,0,1,0|1,0,1]=3 1693 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,0,0,0,1,0|1,0,2]=4 1694 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,0,0,0,1,0|2,0,0]=3 1695 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,0,0,0,1,0|2,0,0]=3 1696 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,0,0,0,1,0|2,0,0]=3 1697 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,0,0,0,1,0|2,0,0]=3 1698 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,0,0,0,1,0|1,0,0]=2 1699 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [0,0,0,0,1,0|1,0,1]=3 1700 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,0,0,0,1,0|2,0,0]=3 1701 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,0,0,0,1,0|2,0,0]=3 1702 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,0,0,0,1,0|1,0,0]=2 1703 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,0,0,0,1,0|1,0,0]=2 1704 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,0,0,0,1,0|1,0,0]=2 1705 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,0,0,0,1,0|0,0,0]=1 1706 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,0,0,0,1,0|0,0,0]=1 1707 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,0,0,0,1,0|1,1,0]=3 1708 B6R0.3 CCC(C)C(C)Br MCULE-5368409335 [0,0,0,0,1,0|2,0,1]=4 1709 B6R0.3 CCC(C)C(C)C MCULE-9189749509 [0,0,0,0,1,0|2,0,1]=4 1710 B6R0.3 CCC(C)C(C)Cl MCULE-2663176330 [0,0,0,0,1,0|2,0,1]=4 1711 B6R0.3 CCC(C)C(C)N MCULE-1056466337 [0,0,0,0,1,0|2,0,1]=4 1712 B6R0.3 CCC(C)C(C)N MCULE-1503543126 [0,0,0,0,1,0|2,0,1]=4 1713 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,0,0,0,1,0|1,0,1]=3 1714 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,0,0,0,1,0|2,0,0]=3 1715 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,0,0,0,1,0|2,0,0]=3 1716 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,0,0,0,1,0|1,0,0]=2 1717 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,0,0,0,1,0|1,0,0]=2 1718 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,0,0,0,1,0|2,0,0]=3 1719 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,0,0,0,1,0|2,0,0]=3 1720 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,0,0,0,1,0|2,0,0]=3 1721 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,0,0,0,1,0|2,0,0]=3 1722 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,0,0,0,1,0|1,0,0]=2 1723 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,0,0,0,1,0|1,0,0]=2 1724 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,0,0,0,1,0|1,0,0]=2 1725 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,0,0,0,1,0|1,0,0]=2 1726 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,0,0,0,1,0|2,0,1]=4 1727 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,0,0,0,1,0|2,0,1]=4 1728 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,0,0,0,1,0|2,0,0]=3 1729 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,0,0,0,1,0|1,0,0]=2 1730 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,0,0,0,1,0|1,0,0]=2 1731 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,0,0,0,1,0|1,0,1]=3 1732 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,0,0,0,1,0|1,0,1]=3 1733 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,0,0,0,1,0|2,0,1]=4 1734 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,0,0,0,1,0|2,0,0]=3 1735 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,0,0,0,1,0|1,0,0]=2 1736 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [0,0,0,0,1,0|3,0,0]=4 1737 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,0,0,0,1,0|2,0,0]=3 1738 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,0,0,0,1,0|2,0,0]=3 1739 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,0,0,0,1,0|3,0,0]=4 1740 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,0,0,0,1,0|3,0,0]=4 1741 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,0,0,0,1,0|1,0,0]=2 1742 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,0,0,0,1,0|1,0,0]=2 1743 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,0,0,0,1,0|1,0,0]=2 1744 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,0,0,0,1,0|1,0,0]=2 1745 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,0,0,0,1,0|0,0,0]=1 1746 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,0,0,0,1,0|0,0,0]=1 1747 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,0,0,0,1,0|1,0,0]=2 1748 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,0,0,0,1,0|1,0,0]=2 1749 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,0,0,0,1,0|2,0,0]=3 1750 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,0,0,0,1,0|2,0,0]=3 1751 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,0,0,0,1,0|2,0,0]=3 1752 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,0,0,0,1,0|2,0,0]=3 1753 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,0,0,0,1,0|1,0,0]=2 1754 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,0,0,0,1,0|1,0,0]=2 1755 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,0,0,0,1,0|1,0,0]=2 1756 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,0,0,0,1,0|1,0,0]=2 1757 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,0,0,0,1,0|2,0,1]=4 1758 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,0,0,0,1,0|2,0,1]=4 1759 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,0,0,0,1,0|1,0,0]=2 1760 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,0,0,0,1,0|1,0,0]=2 1761 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,0,0,0,1,0|1,0,0]=2 1762 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,0,0,0,1,0|1,0,0]=2 1763 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,0,0,0,1,0|0,0,0]=1 1764 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,0,0,0,1,0|0,0,0]=1 1765 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,0,0,0,1,0|1,0,0]=2 1766 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,0,0,0,1,0|2,0,0]=3 1767 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,0,0,0,1,0|2,0,0]=3 1768 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,0,0,0,1,0|2,0,0]=3 1769 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,0,0,0,1,0|2,0,0]=3 1770 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,0,0,0,1,0|1,0,0]=2 1771 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,0,0,0,1,0|1,0,0]=2 1772 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,0,0,0,1,0|1,0,0]=2 1773 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,0,0,0,1,0|1,0,0]=2 1774 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,0,0,0,1,0|1,1,0]=3 1775 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,0,0,0,1,0|1,1,0]=3 1776 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,0,0,0,1,0|2,0,1]=4 1777 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,0,0,0,1,0|2,0,1]=4 1778 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,0,0,0,1,0|2,0,1]=4 1779 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,0,0,0,1,0|2,0,1]=4 1780 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,0,0,0,1,0|2,0,1]=4 1781 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,0,0,0,1,0|2,0,1]=4 1782 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,0,0,0,1,0|1,0,0]=2 1783 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,0,0,0,1,0|1,0,0]=2 1784 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,0,0,0,1,0|1,0,1]=3 1785 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,0,0,0,1,0|2,0,1]=4 1786 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,0,0,0,1,0|2,0,0]=3 1787 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,0,0,0,1,0|2,0,0]=3 1788 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,0,0,0,1,0|1,0,0]=2 1789 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,0,0,0,1,0|1,0,0]=2 1790 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,0,0,0,1,0|1,0,0]=2 1791 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,0,0,0,1,0|2,0,0]=3 1792 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,0,0,0,1,0|1,0,0]=2 1793 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,0,0,0,1,0|1,0,0]=2 1794 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,0,0,0,1,0|1,0,0]=2 1795 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,0,0,0,1,0|1,0,0]=2 1796 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,0,0,0,1,0|1,0,0]=2 1797 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,0,0,0,1,0|1,0,0]=2 1798 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,0,0,0,1,0|1,0,0]=2 1799 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,0,0,0,1,0|2,0,1]=4 1800 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,0,0,0,1,0|3,0,0]=4 1801 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,0,0,0,1,0|2,0,0]=3 1802 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,0,0,0,1,0|2,0,0]=3 1803 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,0,0,0,1,0|2,0,0]=3 1804 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,0,0,0,1,0|1,0,0]=2 1805 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,0,0,0,1,0|2,1,0]=4 1806 B6R0.3 COC(C)C(C)O MCULE-9844405908 [0,0,0,0,1,0|2,0,1]=4 1807 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,0,0,0,1,0|3,0,0]=4 1808 B6R0.3 CON(C)C(=O)Cl MCULE-7217619495 [0,0,0,0,1,0|3,0,0]=4 1809 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,0,0,0,1,0|2,0,0]=3 1810 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,0,0,0,1,0|1,0,0]=2 1811 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,0,0,0,1,0|1,0,0]=2 1812 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,0,0,0,1,0|1,0,0]=2 1813 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,0,0,0,1,0|1,0,0]=2 1814 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,0,0,0,1,0|2,0,0]=3 1815 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,0,0,0,1,0|1,0,0]=2 1816 B6R0.3 CSC(C)C(C)O MCULE-9554880840 [0,0,0,0,1,0|2,0,1]=4 1817 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,0,0,0,1,0|1,0,0]=2 1818 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,0,0,0,1,0|1,0,0]=2 1819 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,0,0,0,1,0|1,0,0]=2 1820 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,0,0,0,1,0|1,0,0]=2 1821 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,0,0,0,1,0|1,0,0]=2 1822 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,0,0,0,1,0|1,0,0]=2 1823 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,0,0,0,1,0|2,0,0]=3 1824 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,0,0,0,1,0|2,0,0]=3 1825 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,0,0,0,1,0|1,0,0]=2 1826 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,0,0,0,1,0|1,0,0]=2 1827 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,0,0,0,1,0|1,0,0]=2 1828 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,0,0,0,1,0|1,0,0]=2 1829 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,0,0,0,1,0|1,0,0]=2 1830 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,0,0,0,1,0|1,0,0]=2 1831 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,0,0,0,1,0|1,0,1]=3 1832 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,0,0,0,1,0|2,0,0]=3 1833 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,0,0,0,1,0|2,0,0]=3 1834 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,0,0,0,1,0|3,0,0]=4 1835 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,0,0,0,1,0|3,0,0]=4 1836 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,0,0,0,1,0|3,0,0]=4 1837 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,0,0,0,1,0|3,0,0]=4 1838 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,0,0,0,1,0|3,0,0]=4 1839 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,0,0,0,1,0|3,0,0]=4 1840 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,0,0,0,1,0|3,0,0]=4 1841 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,0,0,0,1,0|3,0,0]=4 1842 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,0,0,0,1,0|3,0,0]=4 1843 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,0,0,0,1,0|3,0,0]=4 1844 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,0,0,0,1,0|3,0,0]=4 1845 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,0,0,0,1,0|3,0,0]=4 1846 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,0,0,0,1,0|3,0,0]=4 1847 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,0,0,0,1,0|3,0,0]=4 1848 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,0,0,0,1,0|2,0,0]=3 1849 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,0,0,0,1,0|2,0,0]=3 1850 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,0,0,0,1,0|2,0,0]=3 1851 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,0,0,0,1,0|2,0,0]=3 1852 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,0,0,0,1,0|2,0,0]=3 1853 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,0,0,0,1,0|2,0,0]=3 1854 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,0,0,0,1,0|2,0,0]=3 1855 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,0,0,0,1,0|2,0,0]=3 1856 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,0,0,0,1,0|2,0,0]=3 1857 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,0,0,0,1,0|2,0,0]=3 1858 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,0,0,0,1,0|2,0,0]=3 1859 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,0,0,0,1,0|2,0,0]=3 1860 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,0,0,0,1,0|2,0,0]=3 1861 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,0,0,0,1,0|2,0,0]=3 1862 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,0,0,0,1,0|2,0,0]=3 1863 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,0,0,0,1,0|2,0,0]=3 1864 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,0,0,0,1,0|2,0,0]=3 1865 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,0,0,0,1,0|2,0,0]=3 1866 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,0,0,0,1,0|2,0,0]=3 1867 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,0,0,0,1,0|3,0,0]=4 1868 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,0,0,0,1,0|3,0,0]=4 1869 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,0,0,0,1,0|2,0,0]=3 1870 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,0,0,0,1,0|2,0,0]=3 1871 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,0,0,0,1,0|2,0,0]=3 1872 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,0,0,0,1,0|2,0,0]=3 1873 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,0,0,0,1,0|2,0,0]=3 1874 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,0,0,0,1,0|2,0,0]=3 1875 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,0,0,0,1,0|2,0,0]=3 1876 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,0,0,0,1,0|2,0,0]=3 1877 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,0,0,0,1,0|2,0,0]=3 1878 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,0,0,0,1,0|2,0,0]=3 1879 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,0,0,0,1,0|2,0,0]=3 1880 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,0,0,0,1,0|2,0,0]=3 1881 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,0,0,0,1,0|2,0,0]=3 1882 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,0,0,0,1,0|2,0,0]=3 1883 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,0,0,0,1,0|2,0,0]=3 1884 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,0,0,0,1,0|2,0,0]=3 1885 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,0,0,0,1,0|2,0,0]=3 1886 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,0,0,0,1,0|2,0,0]=3 1887 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,0,0,0,1,0|2,0,0]=3 1888 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,0,0,0,1,0|2,0,0]=3 1889 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,0,0,0,1,0|2,0,0]=3 1890 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,0,0,0,1,0|2,0,0]=3 1891 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,0,0,0,1,0|2,0,0]=3 1892 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,0,0,0,1,0|2,0,0]=3 1893 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,0,0,0,1,0|2,0,0]=3 1894 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,0,0,0,1,0|2,0,0]=3 1895 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,0,0,0,1,0|2,0,0]=3 1896 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,0,0,0,1,0|2,0,0]=3 1897 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,0,0,0,1,0|2,0,0]=3 1898 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,0,0,0,1,0|2,0,0]=3 1899 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,0,0,0,1,0|2,0,0]=3 1900 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,0,0,0,1,0|2,0,0]=3 1901 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,0,0,0,1,0|2,0,0]=3 1902 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,0,0,0,1,0|2,0,0]=3 1903 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,0,0,0,1,0|2,0,0]=3 1904 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,0,0,0,1,0|2,0,0]=3 1905 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,0,0,0,1,0|2,0,0]=3 1906 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,0,0,0,1,0|2,0,0]=3 1907 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,0,0,0,1,0|2,0,0]=3 1908 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,0,0,0,1,0|2,0,0]=3 1909 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,0,0,0,1,0|2,0,0]=3 1910 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,0,0,0,1,0|2,0,0]=3 1911 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,0,0,0,1,0|2,0,0]=3 1912 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,0,0,0,1,0|2,0,0]=3 1913 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,0,0,0,1,0|2,0,0]=3 1914 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,0,0,0,1,0|2,0,0]=3 1915 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,0,0,0,1,0|2,0,0]=3 1916 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,0,0,0,1,0|3,0,0]=4 1917 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,0,0,0,1,0|3,0,0]=4 1918 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,0,0,0,1,0|2,0,1]=4 1919 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,0,0,0,1,0|2,0,1]=4 1920 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,0,0,0,1,0|2,0,1]=4 1921 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,0,0,0,1,0|2,0,1]=4 1922 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,0,0,0,1,0|2,0,1]=4 1923 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,0,0,0,1,0|2,0,0]=3 1924 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,0,0,0,1,0|2,0,0]=3 1925 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,0,0,0,1,0|2,0,0]=3 1926 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,0,0,0,1,0|2,0,0]=3 1927 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,0,0,0,1,0|2,0,0]=3 1928 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,0,0,0,1,0|2,0,0]=3 1929 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,0,0,0,1,0|2,0,0]=3 1930 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,0,0,0,1,0|2,0,0]=3 1931 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,0,0,0,1,0|2,0,0]=3 1932 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,0,0,0,1,0|2,0,0]=3 1933 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,0,0,0,1,0|2,0,0]=3 1934 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,0,0,0,1,0|2,0,0]=3 1935 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,0,0,0,1,0|2,0,0]=3 1936 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,0,0,0,1,0|2,0,0]=3 1937 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,0,0,0,1,0|2,0,0]=3 1938 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,0,0,0,1,0|2,0,0]=3 1939 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,0,0,0,1,0|2,0,0]=3 1940 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,0,0,0,1,0|2,0,1]=4 1941 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,0,0,0,1,0|1,0,2]=4 1942 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,0,0,0,1,0|2,0,0]=3 1943 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,0,0,0,1,0|1,0,0]=2 1944 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,0,0,0,1,0|3,0,0]=4 1945 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,0,0,0,1,0|1,0,0]=2 1946 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,0,0,0,1,0|2,0,0]=3 1947 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,0,0,0,0,1|0,0,3]=4 1948 B8R0.9 C=CC(N)CCC(=O)O MCULE-3453656580 [0,0,0,0,0,1|1,0,2]=4 1949 B8R0.9 C=CC(N)CCC(=O)O MCULE-4435406748 [0,0,0,0,0,1|1,0,2]=4 1950 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-5470042954 [0,0,0,0,0,1|1,0,2]=4 1951 B8R0.9 C=C[C@@H](N)CCC(=O)O MCULE-9017090012 [0,0,0,0,0,1|1,0,2]=4 1952 B8R0.9 C=C[C@H](N)CCC(=O)O MCULE-4615585642 [0,0,0,0,0,1|1,0,2]=4 1953 B8R0.9 CC(=NO)CCC(=O)O MCULE-2481442220 [0,0,0,0,0,1|2,0,1]=4 1954 B8R0.9 CC(=O)NCC(C)CN MCULE-6305271563 [0,0,0,0,0,1|2,0,0]=3 1955 B8R0.9 CC(=O)NCC(O)CCl MCULE-4912177314 [0,0,0,0,0,1|3,0,0]=4 1956 B8R0.9 CC(=O)NC[C@H](O)CCl MCULE-5027407972 [0,0,0,0,0,1|3,0,0]=4 1957 B8R0.9 CC(=O)OCC(C)CBr MCULE-5776578434 [0,0,0,0,0,1|2,0,0]=3 1958 B8R0.9 CC(=O)OCC(N)CO MCULE-3133254167 [0,0,0,0,0,1|3,0,0]=4 1959 B8R0.9 CC(=O)OCC(N)CO MCULE-4867842020 [0,0,0,0,0,1|3,0,0]=4 1960 B8R0.9 CC(=O)OCC(O)CCl MCULE-3591995437 [0,0,0,0,0,1|3,0,0]=4 1961 B8R0.9 CC(=O)OCC(O)CO MCULE-7518673015 [0,0,0,0,0,1|3,0,0]=4 1962 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-2650760220 [0,0,0,0,0,1|2,0,0]=3 1963 B8R0.9 CC(=O)OC[C@H](C)CO MCULE-7616916740 [0,0,0,0,0,1|2,0,0]=3 1964 B8R0.9 CC(=O)SCC(C)CCl MCULE-2266172098 [0,0,0,0,0,1|2,0,0]=3 1965 B8R0.9 CC(C#N)CCC(=O)O MCULE-6867167636 [0,0,0,0,0,1|1,0,1]=3 1966 B8R0.9 CC(CCl)CCC(=O)Cl MCULE-3716923938 [0,0,0,0,0,1|2,0,0]=3 1967 B8R0.9 CC(O)CNC(C)CO MCULE-6157391749 [0,0,0,0,0,1|2,0,1]=4 1968 B8R0.9 CC(O)COC(C)CO MCULE-7544702364 [0,0,0,0,0,1|2,0,1]=4 1969 B8R0.9 CC=C(C)C=CC(=O)O MCULE-4818681786 [0,0,0,0,0,1|0,0,3]=4 1970 B8R0.9 CCC(=CCC(=O)O)C MCULE-3358969895 [0,0,0,0,0,1|0,0,1]=2 1971 B8R0.9 CCC(=NNC(=O)N)C MCULE-1772875667 [0,0,0,0,0,1|2,0,1]=4 1972 B8R0.9 CCC(=O)C=CC(=O)O MCULE-2770953486 [0,0,0,0,0,1|1,0,2]=4 1973 B8R0.9 CCC(=O)CCC(=O)C MCULE-7923444653 [0,0,0,0,0,1|2,0,1]=4 1974 B8R0.9 CCC(=O)CCC(=O)O MCULE-4505750030 [0,0,0,0,0,1|1,0,1]=3 1975 B8R0.9 CCC(=O)COC(=O)C MCULE-4876335377 [0,0,0,0,0,1|2,0,1]=4 1976 B8R0.9 CCC(=O)NCC(=O)O MCULE-9173889437 [0,0,0,0,0,1|1,0,1]=3 1977 B8R0.9 CCC(C)CCC(=O)C MCULE-6498666006 [0,0,0,0,0,1|1,0,0]=2 1978 B8R0.9 CCC(C)CCC(=O)O MCULE-9270270979 [0,0,0,0,0,1|0,0,0]=1 1979 B8R0.9 CCC(C)CCC(C)O MCULE-4781356880 [0,0,0,0,0,1|1,0,1]=3 1980 B8R0.9 CCC(C)COC(=O)C MCULE-1846190306 [0,0,0,0,0,1|1,0,0]=2 1981 B8R0.9 CCC(C)COC(=O)Cl MCULE-7986633908 [0,0,0,0,0,1|1,0,0]=2 1982 B8R0.9 CCC(C)NCC(=O)O MCULE-1578825700 [0,0,0,0,0,1|0,0,0]=1 1983 B8R0.9 CCC(C)NCC(=O)O MCULE-8981987872 [0,0,0,0,0,1|0,0,0]=1 1984 B8R0.9 CCC(C)OCC(=O)O MCULE-8235265405 [0,0,0,0,0,1|0,0,0]=1 1985 B8R0.9 CCC(Cl)CCC(=O)Cl MCULE-3849391288 [0,0,0,0,0,1|2,0,0]=3 1986 B8R0.9 CCC(N)CCC(=O)O MCULE-3116763773 [0,0,0,0,0,1|1,0,0]=2 1987 B8R0.9 CCC(N)CCC(=O)O MCULE-9126260921 [0,0,0,0,0,1|1,0,0]=2 1988 B8R0.9 CCC(O)CCC(=O)O MCULE-1512608136 [0,0,0,0,0,1|1,0,0]=2 1989 B8R0.9 CCC(O)CCC(=O)[O-] MCULE-6831827135 [0,0,0,0,0,1|1,0,1]=3 1990 B8R0.9 CCN(C)CCC(=O)O MCULE-2510720087 [0,0,0,0,0,1|1,0,0]=2 1991 B8R0.9 CCN(C)CCC(=O)O MCULE-4192684079 [0,0,0,0,0,1|1,0,0]=2 1992 B8R0.9 CCS(=O)CCC(=O)O MCULE-4027618720 [0,0,0,0,0,1|2,0,0]=3 1993 B8R0.9 CC[C@H](N)C=CC(=O)O MCULE-8933495159 [0,0,0,0,0,1|1,0,1]=3 1994 B8R0.9 CNC(=O)CCC(=O)O MCULE-8340443315 [0,0,0,0,0,1|2,0,1]=4 1995 B8R0.9 CNC(=O)NCC(=O)O MCULE-9575946804 [0,0,0,0,0,1|2,0,1]=4 1996 B8R0.9 COC(=O)CCC(=O)O MCULE-4083173324 [0,0,0,0,0,1|2,0,1]=4 1997 B8R0.9 COC(=O)NCC(=O)O MCULE-3693365728 [0,0,0,0,0,1|2,0,1]=4 1998 B8R0.9 COC(C)CCC(=O)O MCULE-5873043454 [0,0,0,0,0,1|1,0,0]=2 1999 B8R0.9 COC(C)COC(=O)C MCULE-7948047479 [0,0,0,0,0,1|2,0,0]=3 2000 B8R0.9 CSC(C)CCC(=O)O MCULE-3505570511 [0,0,0,0,0,1|1,0,0]=2 2001 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-1706050650 [0,0,0,0,0,1|2,0,1]=4 2002 B8R0.9 C[C@@H](CO)CC[N+](=O)[O-] MCULE-8419848254 [0,0,0,0,0,1|2,0,1]=4 2003 B8R0.9 NCC(=O)CCC(=O)O MCULE-6371115085 [0,0,0,0,0,1|2,0,1]=4 2004 B8R0.9 NCC(=O)CCC(=O)O MCULE-8125179397 [0,0,0,0,0,1|2,0,1]=4 2005 B8R0.9 NCC(=O)CCC(=O)O MCULE-8676354165 [0,0,0,0,0,1|2,0,1]=4 2006 B8R0.9 NCC(=O)NCC(=O)O MCULE-1239116894 [0,0,0,0,0,1|2,0,1]=4 2007 B8R0.9 NCC(=O)NCC(=O)O MCULE-2139302839 [0,0,0,0,0,1|2,0,1]=4 2008 B8R0.9 NCC(N)CCC(=O)O MCULE-1054409990 [0,0,0,0,0,1|2,0,0]=3 2009 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-2916881042 [0,0,0,0,0,1|2,0,0]=3 2010 B8R0.9 NC[C@@H](N)CCC(=O)O MCULE-7249154843 [0,0,0,0,0,1|2,0,0]=3 2011 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-1233079264 [0,0,0,0,0,1|2,0,0]=3 2012 B8R0.9 N[C@H](CO)CCC(=O)O MCULE-8091475267 [0,0,0,0,0,1|2,0,0]=3 2013 B8R0.9 O=C(O)CCC(=O)CBr MCULE-8373387398 [0,0,0,0,0,1|2,0,1]=4 2014 B8R0.9 O=C(O)CCP(=O)CO MCULE-3163541128 [0,0,0,0,0,1|3,0,0]=4 2015 B8R0.9 O=C(O)CNC(=O)CCl MCULE-2917654196 [0,0,0,0,0,1|2,0,1]=4 2016 B8R0.9 O=C(O)COC(=O)CO MCULE-4022202206 [0,0,0,0,0,1|2,0,1]=4 2017 B5R0.1 C#CCC(=O)O MCULE-4680699666 [2,0,0,0,0,0|0,0,2]=4 2018 B5R0.1 C#CCC(C)C MCULE-2506063278 [2,0,0,0,0,0|1,0,1]=4 2019 B5R0.1 C(C)(N)CCO MCULE-5545469271 [2,0,0,0,0,0|1,0,1]=4 2020 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [2,0,0,0,0,0|0,0,2]=4 2021 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [2,0,0,0,0,0|1,0,1]=4 2022 B5R0.1 C=C(C)CCC MCULE-8225129744 [2,0,0,0,0,0|2,0,0]=4 2023 B5R0.1 C=CCC(=O)O MCULE-6288979337 [2,0,0,0,0,0|0,0,2]=4 2024 B5R0.1 C=CCC(C)Br MCULE-5638987302 [2,0,0,0,0,0|2,0,0]=4 2025 B5R0.1 C=CCC(C)C MCULE-4586731422 [2,0,0,0,0,0|1,0,0]=3 2026 B5R0.1 C=CCC(C)N MCULE-5354228552 [2,0,0,0,0,0|2,0,0]=4 2027 B5R0.1 C=CCC(C)N MCULE-9454660067 [2,0,0,0,0,0|2,0,0]=4 2028 B5R0.1 C=CCC(C)O MCULE-7724200334 [2,0,0,0,0,0|2,0,0]=4 2029 B5R0.1 C=CCC(C)O MCULE-9910771503 [2,0,0,0,0,0|2,0,0]=4 2030 B5R0.1 C=CCN(C)C MCULE-6958853335 [2,0,0,0,0,0|2,0,0]=4 2031 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [2,0,0,0,0,0|2,0,0]=4 2032 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [2,0,0,0,0,0|2,0,0]=4 2033 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [2,0,0,0,0,0|2,0,0]=4 2034 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [2,0,0,0,0,0|2,0,0]=4 2035 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [2,0,0,0,0,0|2,0,0]=4 2036 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [2,0,0,0,0,0|2,0,0]=4 2037 B5R0.1 C=COC(C)C MCULE-6339383821 [2,0,0,0,0,0|2,0,0]=4 2038 B5R0.1 CC#CC(=O)O MCULE-9994142213 [2,0,0,0,0,0|0,0,2]=4 2039 B5R0.1 CC(=CC=O)C MCULE-7002222435 [2,0,0,0,0,0|0,0,2]=4 2040 B5R0.1 CC(=O)CCBr MCULE-2615300206 [2,0,0,0,0,0|2,0,0]=4 2041 B5R0.1 CC(=O)CCCl MCULE-8019748964 [2,0,0,0,0,0|2,0,0]=4 2042 B5R0.1 CC(=O)CCN MCULE-7550348751 [2,0,0,0,0,0|2,0,0]=4 2043 B5R0.1 CC(=O)CCN MCULE-9519063810 [2,0,0,0,0,0|2,0,0]=4 2044 B5R0.1 CC(=O)CCO MCULE-6328537335 [2,0,0,0,0,0|2,0,0]=4 2045 B5R0.1 CC(C)/C=N/O MCULE-3201457095 [2,0,0,0,0,0|1,0,1]=4 2046 B5R0.1 CC(C)C=NO MCULE-9842574696 [2,0,0,0,0,0|1,0,1]=4 2047 B5R0.1 CC(C)CC#N MCULE-4346986727 [2,0,0,0,0,0|1,0,1]=4 2048 B5R0.1 CC(C)CC=O MCULE-2939497534 [2,0,0,0,0,0|0,0,0]=2 2049 B5R0.1 CC(C)CCBr MCULE-7163010428 [2,0,0,0,0,0|1,0,1]=4 2050 B5R0.1 CC(C)CCCl MCULE-8360122696 [2,0,0,0,0,0|1,0,1]=4 2051 B5R0.1 CC(C)CCCl MCULE-9017922949 [2,0,0,0,0,0|1,0,1]=4 2052 B5R0.1 CC(C)CCI MCULE-4934529500 [2,0,0,0,0,0|1,0,1]=4 2053 B5R0.1 CC(C)CCN MCULE-3081003576 [2,0,0,0,0,0|1,0,1]=4 2054 B5R0.1 CC(C)CCN MCULE-5118782389 [2,0,0,0,0,0|1,0,1]=4 2055 B5R0.1 CC(C)CCN MCULE-5217981670 [2,0,0,0,0,0|1,0,1]=4 2056 B5R0.1 CC(C)CCN MCULE-6280940933 [2,0,0,0,0,0|1,0,1]=4 2057 B5R0.1 CC(C)CCO MCULE-7411270401 [2,0,0,0,0,0|0,0,1]=3 2058 B5R0.1 CC(C)CCS MCULE-7115473363 [2,0,0,0,0,0|0,1,1]=4 2059 B5R0.1 CC(C)CNN MCULE-6797887001 [2,0,0,0,0,0|2,0,0]=4 2060 B5R0.1 CC(C)CNN MCULE-9592971233 [2,0,0,0,0,0|2,0,0]=4 2061 B5R0.1 CC(C)CNN MCULE-9725792452 [2,0,0,0,0,0|2,0,0]=4 2062 B5R0.1 CC(C)CON MCULE-3476786246 [2,0,0,0,0,0|2,0,0]=4 2063 B5R0.1 CC(C)CON MCULE-4450654727 [2,0,0,0,0,0|2,0,0]=4 2064 B5R0.1 CC(C)N=C=O MCULE-8392299675 [2,0,0,0,0,0|1,0,1]=4 2065 B5R0.1 CC(C)NC=O MCULE-1764010394 [2,0,0,0,0,0|1,0,0]=3 2066 B5R0.1 CC(C)OC=O MCULE-8263698122 [2,0,0,0,0,0|1,0,0]=3 2067 B5R0.1 CC(Cl)CCO MCULE-1955496242 [2,0,0,0,0,0|1,0,1]=4 2068 B5R0.1 CC(N)CCO MCULE-1771399942 [2,0,0,0,0,0|1,0,1]=4 2069 B5R0.1 CC(N)CCO MCULE-7239872808 [2,0,0,0,0,0|1,0,1]=4 2070 B5R0.1 CC(O)CCO MCULE-1694239851 [2,0,0,0,0,0|1,0,1]=4 2071 B5R0.1 CC(O)CCO MCULE-7784884948 [2,0,0,0,0,0|1,0,1]=4 2072 B5R0.1 CC(S)CCO MCULE-5702212503 [2,0,0,0,0,0|1,0,1]=4 2073 B5R0.1 CC=CC(=O)O MCULE-7970410217 [2,0,0,0,0,0|0,0,2]=4 2074 B5R0.1 CC=CC(C)C MCULE-9898453837 [2,0,0,0,0,0|1,0,1]=4 2075 B5R0.1 CCCB(O)O MCULE-4994980798 [2,0,0,0,0,0|1,0,1]=4 2076 B5R0.1 CCCC(=N)N MCULE-5974105638 [2,0,0,0,0,0|2,0,0]=4 2077 B5R0.1 CCCC(=N)N MCULE-9230704591 [2,0,0,0,0,0|2,0,0]=4 2078 B5R0.1 CCCC(=O)C MCULE-7174095676 [2,0,0,0,0,0|1,0,0]=3 2079 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [2,0,0,0,0,0|1,0,0]=3 2080 B5R0.1 CCCC(=O)N MCULE-2712067671 [2,0,0,0,0,0|1,0,0]=3 2081 B5R0.1 CCCC(=O)O MCULE-4116382006 [2,0,0,0,0,0|0,0,0]=2 2082 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [2,0,0,0,0,0|0,0,1]=3 2083 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [2,0,0,0,0,0|0,0,1]=3 2084 B5R0.1 CCCC(=S)N MCULE-3529335988 [2,0,0,0,0,0|1,1,0]=4 2085 B5R0.1 CCCC(=S)O MCULE-3382199964 [2,0,0,0,0,0|0,1,0]=3 2086 B5R0.1 CCCC(C)C MCULE-9604552974 [2,0,0,0,0,0|1,0,1]=4 2087 B5R0.1 CCCC(C)O MCULE-8205906299 [2,0,0,0,0,0|1,0,1]=4 2088 B5R0.1 CCCC(O)Cl MCULE-3188577082 [2,0,0,0,0,0|1,0,1]=4 2089 B5R0.1 CCCN(=O)=O MCULE-5615753372 [2,0,0,0,0,0|1,0,1]=4 2090 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [2,0,0,0,0,0|1,0,1]=4 2091 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [2,0,0,0,0,0|1,0,1]=4 2092 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [2,0,0,0,0,0|1,0,1]=4 2093 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [2,0,0,0,0,0|1,0,1]=4 2094 B5R0.1 CCNC(=O)C MCULE-7543656350 [2,0,0,0,0,0|2,0,0]=4 2095 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [2,0,0,0,0,0|2,0,0]=4 2096 B5R0.1 CCNC(=O)N MCULE-1913599861 [2,0,0,0,0,0|2,0,0]=4 2097 B5R0.1 CCOC(=O)C MCULE-6628539781 [2,0,0,0,0,0|2,0,0]=4 2098 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [2,0,0,0,0,0|2,0,0]=4 2099 B5R0.1 CCOC(=O)N MCULE-1776877276 [2,0,0,0,0,0|2,0,0]=4 2100 B5R0.1 CCSC(=O)C MCULE-8015440229 [2,0,0,0,0,0|2,0,0]=4 2101 B5R0.1 CN(C)CC=O MCULE-1229218563 [2,0,0,0,0,0|1,0,0]=3 2102 B5R0.1 CN(C)CC=O MCULE-3577561950 [2,0,0,0,0,0|1,0,0]=3 2103 B5R0.1 CN(C)CC=O MCULE-4493766862 [2,0,0,0,0,0|1,0,0]=3 2104 B5R0.1 CN(C)CC=O MCULE-8123455398 [2,0,0,0,0,0|1,0,0]=3 2105 B5R0.1 CN(C)CCO MCULE-5715813465 [2,0,0,0,0,0|1,0,1]=4 2106 B5R0.1 CN(C)CCO MCULE-7567469160 [2,0,0,0,0,0|1,0,1]=4 2107 B5R0.1 CN(C)CCO MCULE-9024108074 [2,0,0,0,0,0|1,0,1]=4 2108 B5R0.1 CN(C)NC=O MCULE-1557896286 [2,0,0,0,0,0|2,0,0]=4 2109 B5R0.1 CNCC(=O)C MCULE-3695443024 [2,0,0,0,0,0|2,0,0]=4 2110 B5R0.1 CNCC(=O)C MCULE-7402723072 [2,0,0,0,0,0|2,0,0]=4 2111 B5R0.1 CNCC(=O)N MCULE-2328887394 [2,0,0,0,0,0|2,0,0]=4 2112 B5R0.1 CNCC(=O)N MCULE-3031605853 [2,0,0,0,0,0|2,0,0]=4 2113 B5R0.1 CNCC(=O)N MCULE-7300977677 [2,0,0,0,0,0|2,0,0]=4 2114 B5R0.1 CNCC(=O)O MCULE-3448356048 [2,0,0,0,0,0|1,0,0]=3 2115 B5R0.1 CNCC(=O)O MCULE-4484444573 [2,0,0,0,0,0|1,0,0]=3 2116 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [2,0,0,0,0,0|1,0,1]=4 2117 B5R0.1 CNCC(C)C MCULE-6582386339 [2,0,0,0,0,0|2,0,0]=4 2118 B5R0.1 CNCC(C)C MCULE-6856717783 [2,0,0,0,0,0|2,0,0]=4 2119 B5R0.1 COCC(=O)C MCULE-7262197587 [2,0,0,0,0,0|2,0,0]=4 2120 B5R0.1 COCC(=O)Cl MCULE-5449267495 [2,0,0,0,0,0|2,0,0]=4 2121 B5R0.1 COCC(=O)N MCULE-6674958132 [2,0,0,0,0,0|2,0,0]=4 2122 B5R0.1 COCC(=O)O MCULE-3945589151 [2,0,0,0,0,0|1,0,0]=3 2123 B5R0.1 CSCC(=O)C MCULE-4131794172 [2,0,0,0,0,0|2,0,0]=4 2124 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [2,0,0,0,0,0|2,0,0]=4 2125 B5R0.1 CSCC(=O)N MCULE-4865579476 [2,0,0,0,0,0|2,0,0]=4 2126 B5R0.1 CSCC(=O)O MCULE-7003418159 [2,0,0,0,0,0|1,0,0]=3 2127 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [2,0,0,0,0,0|1,0,1]=4 2128 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [2,0,0,0,0,0|1,0,1]=4 2129 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [2,0,0,0,0,0|1,0,1]=4 2130 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [2,0,0,0,0,0|1,0,1]=4 2131 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [2,0,0,0,0,0|1,0,1]=4 2132 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [2,0,0,0,0,0|1,0,1]=4 2133 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [2,0,0,0,0,0|1,0,1]=4 2134 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [2,0,0,0,0,0|1,0,1]=4 2135 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [2,0,0,0,0,0|1,0,1]=4 2136 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [2,0,0,0,0,0|1,0,1]=4 2137 B5R0.1 N#CCC(=O)O MCULE-3440765061 [2,0,0,0,0,0|1,0,1]=4 2138 B5R0.1 NC(=O)CCBr MCULE-3930714776 [2,0,0,0,0,0|2,0,0]=4 2139 B5R0.1 NC(=O)CCCl MCULE-8300320959 [2,0,0,0,0,0|2,0,0]=4 2140 B5R0.1 NC(=O)CCO MCULE-4026170350 [2,0,0,0,0,0|2,0,0]=4 2141 B5R0.1 NC(=O)CCS MCULE-7451827717 [2,0,0,0,0,0|2,0,0]=4 2142 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [2,0,0,0,0,0|2,0,0]=4 2143 B5R0.1 NCCC(=O)N MCULE-2899414135 [2,0,0,0,0,0|2,0,0]=4 2144 B5R0.1 NCCC(=O)N MCULE-6993286668 [2,0,0,0,0,0|2,0,0]=4 2145 B5R0.1 NCCC(=O)O MCULE-1344289084 [2,0,0,0,0,0|1,0,0]=3 2146 B5R0.1 NCCC(=O)O MCULE-2298605337 [2,0,0,0,0,0|1,0,0]=3 2147 B5R0.1 NCCC(=O)O MCULE-9375577631 [2,0,0,0,0,0|1,0,0]=3 2148 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [2,0,0,0,0,0|1,0,1]=4 2149 B5R0.1 NCCP(=O)O MCULE-7093964616 [2,0,0,0,0,0|2,0,0]=4 2150 B5R0.1 NCCS(=O)O MCULE-4372248641 [2,0,0,0,0,0|2,0,0]=4 2151 B5R0.1 NNCC(=O)O MCULE-4908184724 [2,0,0,0,0,0|2,0,0]=4 2152 B5R0.1 NNCC(=O)O MCULE-6315598774 [2,0,0,0,0,0|2,0,0]=4 2153 B5R0.1 NOCC(=O)O MCULE-4566186819 [2,0,0,0,0,0|2,0,0]=4 2154 B5R0.1 NOCC(=O)O MCULE-4824237418 [2,0,0,0,0,0|2,0,0]=4 2155 B5R0.1 NOCC(=O)O MCULE-8132180423 [2,0,0,0,0,0|2,0,0]=4 2156 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [2,0,0,0,0,0|2,0,0]=4 2157 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [2,0,0,0,0,0|2,0,0]=4 2158 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [2,0,0,0,0,0|2,0,0]=4 2159 B5R0.1 O=C(O)CCBr MCULE-2816055853 [2,0,0,0,0,0|1,0,0]=3 2160 B5R0.1 O=C(O)CCCl MCULE-8511144183 [2,0,0,0,0,0|1,0,0]=3 2161 B5R0.1 O=C(O)CCF MCULE-4382025684 [2,0,0,0,0,0|1,0,0]=3 2162 B5R0.1 O=C(O)CCI MCULE-3371354708 [2,0,0,0,0,0|1,0,0]=3 2163 B5R0.1 O=C(O)CCO MCULE-3428604829 [2,0,0,0,0,0|1,0,0]=3 2164 B5R0.1 O=C(O)CCS MCULE-3211932163 [2,0,0,0,0,0|1,0,0]=3 2165 B5R0.1 O=C(O)CNO MCULE-4437067339 [2,0,0,0,0,0|2,0,0]=4 2166 B5R0.1 O=C([O-])CCO MCULE-4429611588 [2,0,0,0,0,0|1,0,1]=4 2167 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [2,0,0,0,0,0|1,0,1]=4 2168 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [2,0,0,0,0,0|1,0,1]=4 2169 B5R0.2 C#CCCC=O MCULE-9994552907 [2,0,0,0,0,0|0,0,2]=4 2170 B5R0.2 C#CCCCC MCULE-5706969297 [2,0,0,0,0,0|1,0,1]=4 2171 B5R0.2 C/C=C/CCC MCULE-9851656818 [2,0,0,0,0,0|1,0,1]=4 2172 B5R0.2 C/C=C\CCC MCULE-1013657748 [2,0,0,0,0,0|1,0,1]=4 2173 B5R0.2 C=CCCC=O MCULE-7850336174 [2,0,0,0,0,0|0,0,2]=4 2174 B5R0.2 C=CCCCBr MCULE-5027518679 [2,0,0,0,0,0|2,0,0]=4 2175 B5R0.2 C=CCCCC MCULE-4750698031 [2,0,0,0,0,0|1,0,0]=3 2176 B5R0.2 C=CCCCCl MCULE-3877430809 [2,0,0,0,0,0|2,0,0]=4 2177 B5R0.2 C=CCCCI MCULE-8692831514 [2,0,0,0,0,0|2,0,0]=4 2178 B5R0.2 C=CCCCN MCULE-5787926547 [2,0,0,0,0,0|2,0,0]=4 2179 B5R0.2 C=CCCCN MCULE-7346989227 [2,0,0,0,0,0|2,0,0]=4 2180 B5R0.2 C=CCCCO MCULE-5946342321 [2,0,0,0,0,0|2,0,0]=4 2181 B5R0.2 C=CCCNC MCULE-2124263362 [2,0,0,0,0,0|2,0,0]=4 2182 B5R0.2 C=CCCNC MCULE-5024925990 [2,0,0,0,0,0|2,0,0]=4 2183 B5R0.2 C=CCCOC MCULE-4681354270 [2,0,0,0,0,0|2,0,0]=4 2184 B5R0.2 C=CCNCC MCULE-6987567673 [2,0,0,0,0,0|2,0,0]=4 2185 B5R0.2 C=CCNCC MCULE-8318544337 [2,0,0,0,0,0|2,0,0]=4 2186 B5R0.2 C=CCOCC MCULE-4363356618 [2,0,0,0,0,0|2,0,0]=4 2187 B5R0.2 C=CCSCC MCULE-3816911529 [2,0,0,0,0,0|2,0,0]=4 2188 B5R0.2 C=COCCC MCULE-4423853666 [2,0,0,0,0,0|2,0,0]=4 2189 B5R0.2 CC#CCC=O MCULE-6071390808 [2,0,0,0,0,0|0,0,2]=4 2190 B5R0.2 CC/C=C/C=O MCULE-5102906061 [2,0,0,0,0,0|0,0,2]=4 2191 B5R0.2 CC=CCCC MCULE-8736231124 [2,0,0,0,0,0|1,0,1]=4 2192 B5R0.2 CCC#CC=O MCULE-3889262436 [2,0,0,0,0,0|0,0,2]=4 2193 B5R0.2 CCC=CC=O MCULE-1318250395 [2,0,0,0,0,0|0,0,2]=4 2194 B5R0.2 CCCC=NO MCULE-7364375780 [2,0,0,0,0,0|1,0,1]=4 2195 B5R0.2 CCCCC#N MCULE-4015236167 [2,0,0,0,0,0|1,0,1]=4 2196 B5R0.2 CCCCC=O MCULE-4736782822 [2,0,0,0,0,0|0,0,0]=2 2197 B5R0.2 CCCCCBr MCULE-8513521912 [2,0,0,0,0,0|1,0,1]=4 2198 B5R0.2 CCCCCC MCULE-3465692202 [2,0,0,0,0,0|1,0,1]=4 2199 B5R0.2 CCCCCCl MCULE-4412759460 [2,0,0,0,0,0|1,0,1]=4 2200 B5R0.2 CCCCCF MCULE-6399883281 [2,0,0,0,0,0|1,0,1]=4 2201 B5R0.2 CCCCCI MCULE-4590300793 [2,0,0,0,0,0|1,0,1]=4 2202 B5R0.2 CCCCCN MCULE-3371742982 [2,0,0,0,0,0|1,0,1]=4 2203 B5R0.2 CCCCCN MCULE-4371067300 [2,0,0,0,0,0|1,0,1]=4 2204 B5R0.2 CCCCCN MCULE-6547961798 [2,0,0,0,0,0|1,0,1]=4 2205 B5R0.2 CCCCCN MCULE-7483248760 [2,0,0,0,0,0|1,0,1]=4 2206 B5R0.2 CCCCCO MCULE-8714292632 [2,0,0,0,0,0|0,0,1]=3 2207 B5R0.2 CCCCCS MCULE-5476379340 [2,0,0,0,0,0|0,1,1]=4 2208 B5R0.2 CCCCNC MCULE-9321610906 [2,0,0,0,0,0|2,0,0]=4 2209 B5R0.2 CCCCNN MCULE-6681305566 [2,0,0,0,0,0|2,0,0]=4 2210 B5R0.2 CCCCNN MCULE-6890760890 [2,0,0,0,0,0|2,0,0]=4 2211 B5R0.2 CCCCNN MCULE-7362497327 [2,0,0,0,0,0|2,0,0]=4 2212 B5R0.2 CCCCNN MCULE-8463623644 [2,0,0,0,0,0|2,0,0]=4 2213 B5R0.2 CCCCNO MCULE-1911206569 [2,0,0,0,0,0|1,0,0]=3 2214 B5R0.2 CCCCNO MCULE-3820646216 [2,0,0,0,0,0|1,0,0]=3 2215 B5R0.2 CCCCOC MCULE-9814272675 [2,0,0,0,0,0|2,0,0]=4 2216 B5R0.2 CCCCON MCULE-7582349983 [2,0,0,0,0,0|2,0,0]=4 2217 B5R0.2 CCCCON MCULE-8175627798 [2,0,0,0,0,0|2,0,0]=4 2218 B5R0.2 CCCCSC MCULE-2799775567 [2,0,0,0,0,0|2,0,0]=4 2219 B5R0.2 CCCN=C=O MCULE-9014468293 [2,0,0,0,0,0|1,0,1]=4 2220 B5R0.2 CCCNC=O MCULE-6344556391 [2,0,0,0,0,0|1,0,0]=3 2221 B5R0.2 CCCOC=O MCULE-3133604529 [2,0,0,0,0,0|1,0,0]=3 2222 B5R0.2 CCNCCO MCULE-2537734730 [2,0,0,0,0,0|1,0,1]=4 2223 B5R0.2 CCNCCO MCULE-3738714907 [2,0,0,0,0,0|1,0,1]=4 2224 B5R0.2 CCOCCO MCULE-4311513289 [2,0,0,0,0,0|1,0,1]=4 2225 B5R0.2 CCSCC=O MCULE-8069035019 [2,0,0,0,0,0|1,0,0]=3 2226 B5R0.2 CCSCCO MCULE-3557086162 [2,0,0,0,0,0|1,0,1]=4 2227 B5R0.2 CNCCCO MCULE-9530478547 [2,0,0,0,0,0|1,0,1]=4 2228 B5R0.2 COCCC=O MCULE-2812117208 [2,0,0,0,0,0|1,0,0]=3 2229 B5R0.2 COCCCO MCULE-4041418048 [2,0,0,0,0,0|1,0,1]=4 2230 B5R0.2 CSCCC=O MCULE-6273241704 [2,0,0,0,0,0|1,0,0]=3 2231 B5R0.2 CSCCCO MCULE-9232413185 [2,0,0,0,0,0|1,0,1]=4 2232 B5R0.2 N#CCCC=O MCULE-9521735106 [2,0,0,0,0,0|1,0,1]=4 2233 B5R0.2 NCCCCO MCULE-7395674091 [2,0,0,0,0,0|1,0,1]=4 2234 B5R0.2 O=CCCC=O MCULE-3362810468 [2,0,0,0,0,0|1,0,1]=4 2235 B5R0.2 O=CCCC=O MCULE-3813951568 [2,0,0,0,0,0|1,0,1]=4 2236 B5R0.2 O=CCCCBr MCULE-7239613396 [2,0,0,0,0,0|1,0,0]=3 2237 B5R0.2 O=CCCCCl MCULE-3011225716 [2,0,0,0,0,0|1,0,0]=3 2238 B5R0.2 O=CCCCI MCULE-3153720790 [2,0,0,0,0,0|1,0,0]=3 2239 B5R0.2 O=CCCCO MCULE-8728420992 [2,0,0,0,0,0|1,0,0]=3 2240 B5R0.2 O=CNCCO MCULE-3688614090 [2,0,0,0,0,0|2,0,0]=4 2241 B5R0.2 O=COCCO MCULE-1922672843 [2,0,0,0,0,0|2,0,0]=4 2242 B5R0.2 OC=CCCBr MCULE-3964604828 [2,0,0,0,0,0|1,0,1]=4 2243 B5R0.2 OC=CCCBr MCULE-5728835735 [2,0,0,0,0,0|1,0,1]=4 2244 B5R0.2 OCCCCBr MCULE-9231591925 [2,0,0,0,0,0|1,0,1]=4 2245 B5R0.2 OCCCCCl MCULE-3507644812 [2,0,0,0,0,0|1,0,1]=4 2246 B5R0.2 OCCCCF MCULE-9242285588 [2,0,0,0,0,0|1,0,1]=4 2247 B5R0.2 OCCCCI MCULE-8723720522 [2,0,0,0,0,0|1,0,1]=4 2248 B5R0.2 OCCCCO MCULE-2010022287 [2,0,0,0,0,0|1,0,1]=4 2249 B5R0.2 OCCCCO MCULE-6551106098 [2,0,0,0,0,0|1,0,1]=4 2250 B5R0.2 OCCCCS MCULE-8169490949 [2,0,0,0,0,0|1,0,1]=4 2251 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [2,0,0,0,0,0|1,0,1]=4 2252 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [2,0,0,0,0,0|0,0,2]=4 2253 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [2,0,0,0,0,0|1,0,1]=4 2254 B5R0.3 C=C(C=O)CC MCULE-2875154067 [2,0,0,0,0,0|0,0,2]=4 2255 B5R0.3 C=C(CC)CO MCULE-8127766352 [2,0,0,0,0,0|0,0,2]=4 2256 B5R0.3 C=CC(C)CC MCULE-8112547661 [2,0,0,0,0,0|0,0,1]=3 2257 B5R0.3 C=CC(C)NC MCULE-1929679074 [2,0,0,0,0,0|1,0,1]=4 2258 B5R0.3 C=CC(C)NC MCULE-6382339452 [2,0,0,0,0,0|1,0,1]=4 2259 B5R0.3 C=CC(N)CC MCULE-6270835453 [2,0,0,0,0,0|1,0,1]=4 2260 B5R0.3 C=CC(N)CC MCULE-7920121163 [2,0,0,0,0,0|1,0,1]=4 2261 B5R0.3 C=CC(O)CC MCULE-2794806228 [2,0,0,0,0,0|1,0,1]=4 2262 B5R0.3 CC(C#N)CO MCULE-1644391554 [2,0,0,0,0,0|1,0,1]=4 2263 B5R0.3 CC(CBr)CBr MCULE-7586113999 [2,0,0,0,0,0|2,0,0]=4 2264 B5R0.3 CC(CCl)CBr MCULE-5101754687 [2,0,0,0,0,0|2,0,0]=4 2265 B5R0.3 CC(CCl)CCl MCULE-1169456620 [2,0,0,0,0,0|2,0,0]=4 2266 B5R0.3 CC(CI)CI MCULE-4568725580 [2,0,0,0,0,0|2,0,0]=4 2267 B5R0.3 CC(CN)CCl MCULE-2423692318 [2,0,0,0,0,0|2,0,0]=4 2268 B5R0.3 CC(CN)CCl MCULE-8419541212 [2,0,0,0,0,0|2,0,0]=4 2269 B5R0.3 CC(CN)CN MCULE-1464804013 [2,0,0,0,0,0|2,0,0]=4 2270 B5R0.3 CC(CN)CN MCULE-3273307813 [2,0,0,0,0,0|2,0,0]=4 2271 B5R0.3 CC(CN)CO MCULE-5880795484 [2,0,0,0,0,0|1,0,0]=3 2272 B5R0.3 CC(CN)CO MCULE-8083007887 [2,0,0,0,0,0|1,0,0]=3 2273 B5R0.3 CC(CO)CBr MCULE-3815333295 [2,0,0,0,0,0|1,0,0]=3 2274 B5R0.3 CC(CO)CBr MCULE-5695891877 [2,0,0,0,0,0|1,0,0]=3 2275 B5R0.3 CC(CO)CO MCULE-2340730326 [2,0,0,0,0,0|1,0,0]=3 2276 B5R0.3 CC(CO)CS MCULE-1990992504 [2,0,0,0,0,0|1,0,0]=3 2277 B5R0.3 CC(CO)NN MCULE-3362748538 [2,0,0,0,0,0|2,0,0]=4 2278 B5R0.3 CC(CO)NN MCULE-4440318216 [2,0,0,0,0,0|2,0,0]=4 2279 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [2,0,0,0,0,0|1,0,1]=4 2280 B5R0.3 CC=C(C)C=O MCULE-9453566957 [2,0,0,0,0,0|0,0,2]=4 2281 B5R0.3 CC=C(C)CC MCULE-5790494157 [2,0,0,0,0,0|1,0,1]=4 2282 B5R0.3 CCC(=NO)C MCULE-1859652505 [2,0,0,0,0,0|1,0,1]=4 2283 B5R0.3 CCC(=O)CO MCULE-8674894820 [2,0,0,0,0,0|1,0,1]=4 2284 B5R0.3 CCC(Br)C=O MCULE-3064952987 [2,0,0,0,0,0|1,0,0]=3 2285 B5R0.3 CCC(Br)CBr MCULE-5254958560 [2,0,0,0,0,0|2,0,0]=4 2286 B5R0.3 CCC(Br)CC MCULE-7435628721 [2,0,0,0,0,0|1,0,1]=4 2287 B5R0.3 CCC(Br)CO MCULE-7211805716 [2,0,0,0,0,0|1,0,0]=3 2288 B5R0.3 CCC(C)C#N MCULE-6204122967 [2,0,0,0,0,0|1,0,1]=4 2289 B5R0.3 CCC(C)C=O MCULE-2523669899 [2,0,0,0,0,0|0,0,0]=2 2290 B5R0.3 CCC(C)CBr MCULE-5451416952 [2,0,0,0,0,0|1,0,0]=3 2291 B5R0.3 CCC(C)CC MCULE-2542807917 [2,0,0,0,0,0|0,0,1]=3 2292 B5R0.3 CCC(C)CCl MCULE-7450386476 [2,0,0,0,0,0|1,0,0]=3 2293 B5R0.3 CCC(C)CI MCULE-5444509280 [2,0,0,0,0,0|1,0,0]=3 2294 B5R0.3 CCC(C)CN MCULE-2777327284 [2,0,0,0,0,0|1,0,0]=3 2295 B5R0.3 CCC(C)CN MCULE-7014901600 [2,0,0,0,0,0|1,0,0]=3 2296 B5R0.3 CCC(C)CO MCULE-6521026296 [2,0,0,0,0,0|0,0,0]=2 2297 B5R0.3 CCC(C)CS MCULE-7795095685 [2,0,0,0,0,0|0,1,0]=3 2298 B5R0.3 CCC(C)NC MCULE-2676584804 [2,0,0,0,0,0|1,0,1]=4 2299 B5R0.3 CCC(C)NC MCULE-6158046887 [2,0,0,0,0,0|1,0,1]=4 2300 B5R0.3 CCC(C)NN MCULE-6074476998 [2,0,0,0,0,0|2,0,0]=4 2301 B5R0.3 CCC(C)NN MCULE-8130021960 [2,0,0,0,0,0|2,0,0]=4 2302 B5R0.3 CCC(C)NN MCULE-8519369369 [2,0,0,0,0,0|2,0,0]=4 2303 B5R0.3 CCC(C)NO MCULE-1247092627 [2,0,0,0,0,0|1,0,0]=3 2304 B5R0.3 CCC(C)NO MCULE-6169819668 [2,0,0,0,0,0|1,0,0]=3 2305 B5R0.3 CCC(C)OC MCULE-7354431606 [2,0,0,0,0,0|1,0,1]=4 2306 B5R0.3 CCC(C)ON MCULE-2907890438 [2,0,0,0,0,0|2,0,0]=4 2307 B5R0.3 CCC(C)ON MCULE-4364205813 [2,0,0,0,0,0|2,0,0]=4 2308 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [2,0,0,0,0,0|1,0,0]=3 2309 B5R0.3 CCC(Cl)CCl MCULE-5122022797 [2,0,0,0,0,0|2,0,0]=4 2310 B5R0.3 CCC(Cl)CO MCULE-1756262629 [2,0,0,0,0,0|1,0,0]=3 2311 B5R0.3 CCC(F)CBr MCULE-3226052264 [2,0,0,0,0,0|2,0,0]=4 2312 B5R0.3 CCC(F)CN MCULE-1291385596 [2,0,0,0,0,0|2,0,0]=4 2313 B5R0.3 CCC(F)CN MCULE-7421331323 [2,0,0,0,0,0|2,0,0]=4 2314 B5R0.3 CCC(I)CC MCULE-1119844552 [2,0,0,0,0,0|1,0,1]=4 2315 B5R0.3 CCC(N)CBr MCULE-3567691924 [2,0,0,0,0,0|2,0,0]=4 2316 B5R0.3 CCC(N)CC MCULE-4261937519 [2,0,0,0,0,0|1,0,1]=4 2317 B5R0.3 CCC(N)CC MCULE-5899128891 [2,0,0,0,0,0|1,0,1]=4 2318 B5R0.3 CCC(N)CN MCULE-6911484065 [2,0,0,0,0,0|2,0,0]=4 2319 B5R0.3 CCC(N)CN MCULE-8376506697 [2,0,0,0,0,0|2,0,0]=4 2320 B5R0.3 CCC(N)CO MCULE-1135809021 [2,0,0,0,0,0|1,0,0]=3 2321 B5R0.3 CCC(N)CO MCULE-7588854111 [2,0,0,0,0,0|1,0,0]=3 2322 B5R0.3 CCC(O)CBr MCULE-4205031860 [2,0,0,0,0,0|2,0,0]=4 2323 B5R0.3 CCC(O)CC MCULE-5553645045 [2,0,0,0,0,0|1,0,1]=4 2324 B5R0.3 CCC(O)CCl MCULE-8359810208 [2,0,0,0,0,0|2,0,0]=4 2325 B5R0.3 CCC(O)CN MCULE-5197026448 [2,0,0,0,0,0|2,0,0]=4 2326 B5R0.3 CCC(O)CO MCULE-2488753438 [2,0,0,0,0,0|1,0,0]=3 2327 B5R0.3 CCC(O)CO MCULE-7297282094 [2,0,0,0,0,0|1,0,0]=3 2328 B5R0.3 CCC(S)CC MCULE-2556259434 [2,0,0,0,0,0|1,0,1]=4 2329 B5R0.3 CCC(S)CS MCULE-9332449950 [2,0,0,0,0,0|1,1,0]=4 2330 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [2,0,0,0,0,0|2,0,0]=4 2331 B5R0.3 CCN(C)C=O MCULE-2308681384 [2,0,0,0,0,0|1,0,0]=3 2332 B5R0.3 CCN(C)CC MCULE-7207964917 [2,0,0,0,0,0|1,0,1]=4 2333 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [2,0,0,0,0,0|1,0,0]=3 2334 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [2,0,0,0,0,0|1,0,0]=3 2335 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [2,0,0,0,0,0|0,0,0]=2 2336 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [2,0,0,0,0,0|0,0,0]=2 2337 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [2,0,0,0,0,0|1,0,0]=3 2338 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [2,0,0,0,0,0|1,0,0]=3 2339 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [2,0,0,0,0,0|2,0,0]=4 2340 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [2,0,0,0,0,0|2,0,0]=4 2341 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [2,0,0,0,0,0|1,0,0]=3 2342 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [2,0,0,0,0,0|1,0,0]=3 2343 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [2,0,0,0,0,0|1,0,1]=4 2344 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [2,0,0,0,0,0|1,0,0]=3 2345 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [2,0,0,0,0,0|1,0,0]=3 2346 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [2,0,0,0,0,0|1,0,0]=3 2347 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [2,0,0,0,0,0|1,0,0]=3 2348 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [2,0,0,0,0,0|1,0,0]=3 2349 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [2,0,0,0,0,0|1,0,0]=3 2350 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [2,0,0,0,0,0|1,0,0]=3 2351 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [2,0,0,0,0,0|1,0,0]=3 2352 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [2,0,0,0,0,0|1,0,0]=3 2353 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [2,0,0,0,0,0|0,0,0]=2 2354 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [2,0,0,0,0,0|0,0,0]=2 2355 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [2,0,0,0,0,0|2,0,0]=4 2356 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [2,0,0,0,0,0|2,0,0]=4 2357 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [2,0,0,0,0,0|1,0,0]=3 2358 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [2,0,0,0,0,0|1,0,0]=3 2359 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [2,0,0,0,0,0|2,0,0]=4 2360 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [2,0,0,0,0,0|1,0,0]=3 2361 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [2,0,0,0,0,0|1,0,0]=3 2362 B5R0.3 CNC(C)CN MCULE-1599162912 [2,0,0,0,0,0|2,0,0]=4 2363 B5R0.3 CNC(C)CN MCULE-1637391260 [2,0,0,0,0,0|2,0,0]=4 2364 B5R0.3 CNC(C)CO MCULE-3841057780 [2,0,0,0,0,0|1,0,0]=3 2365 B5R0.3 CNC(C)CO MCULE-6474892275 [2,0,0,0,0,0|1,0,0]=3 2366 B5R0.3 CN[C@@H](C)CO MCULE-1633741835 [2,0,0,0,0,0|1,0,0]=3 2367 B5R0.3 CN[C@@H](C)CO MCULE-6736108875 [2,0,0,0,0,0|1,0,0]=3 2368 B5R0.3 CN[C@@H](C)CO MCULE-7554801630 [2,0,0,0,0,0|1,0,0]=3 2369 B5R0.3 CN[C@@H](C)CO MCULE-9312521497 [2,0,0,0,0,0|1,0,0]=3 2370 B5R0.3 CN[C@H](C)CO MCULE-2402322400 [2,0,0,0,0,0|1,0,0]=3 2371 B5R0.3 CN[C@H](C)CO MCULE-4362091386 [2,0,0,0,0,0|1,0,0]=3 2372 B5R0.3 CN[C@H](C)CO MCULE-5426855707 [2,0,0,0,0,0|1,0,0]=3 2373 B5R0.3 CN[C@H](C)CO MCULE-9777995604 [2,0,0,0,0,0|1,0,0]=3 2374 B5R0.3 COC(C)CBr MCULE-6831960550 [2,0,0,0,0,0|2,0,0]=4 2375 B5R0.3 COC(C)CCl MCULE-6614968111 [2,0,0,0,0,0|2,0,0]=4 2376 B5R0.3 COC(C)CI MCULE-9561627722 [2,0,0,0,0,0|2,0,0]=4 2377 B5R0.3 COC(C)CN MCULE-1378513525 [2,0,0,0,0,0|2,0,0]=4 2378 B5R0.3 COC(C)CN MCULE-6114730248 [2,0,0,0,0,0|2,0,0]=4 2379 B5R0.3 COC(C)CN MCULE-7516064224 [2,0,0,0,0,0|2,0,0]=4 2380 B5R0.3 COC(C)CN MCULE-8277408054 [2,0,0,0,0,0|2,0,0]=4 2381 B5R0.3 COC(C)CO MCULE-5269990702 [2,0,0,0,0,0|1,0,0]=3 2382 B5R0.3 COC(C)CO MCULE-7173093332 [2,0,0,0,0,0|1,0,0]=3 2383 B5R0.3 CON(C)C=O MCULE-6743121315 [2,0,0,0,0,0|2,0,0]=4 2384 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [2,0,0,0,0,0|2,0,0]=4 2385 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [2,0,0,0,0,0|2,0,0]=4 2386 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [2,0,0,0,0,0|2,0,0]=4 2387 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [2,0,0,0,0,0|2,0,0]=4 2388 B5R0.3 CO[C@@H](C)CO MCULE-5600457791 [2,0,0,0,0,0|1,0,0]=3 2389 B5R0.3 CO[C@@H](C)CO MCULE-7981152382 [2,0,0,0,0,0|1,0,0]=3 2390 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [2,0,0,0,0,0|2,0,0]=4 2391 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [2,0,0,0,0,0|2,0,0]=4 2392 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [2,0,0,0,0,0|2,0,0]=4 2393 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [2,0,0,0,0,0|2,0,0]=4 2394 B5R0.3 CO[C@H](C)CO MCULE-4211976708 [2,0,0,0,0,0|1,0,0]=3 2395 B5R0.3 CO[C@H](C)CO MCULE-7592020348 [2,0,0,0,0,0|1,0,0]=3 2396 B5R0.3 CSC(C)CN MCULE-8841622109 [2,0,0,0,0,0|2,0,0]=4 2397 B5R0.3 CSC(C)CO MCULE-4646435737 [2,0,0,0,0,0|1,0,0]=3 2398 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [2,0,0,0,0,0|1,0,0]=3 2399 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [2,0,0,0,0,0|1,0,0]=3 2400 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [2,0,0,0,0,0|1,0,0]=3 2401 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [2,0,0,0,0,0|1,0,0]=3 2402 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [2,0,0,0,0,0|1,0,0]=3 2403 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [2,0,0,0,0,0|1,0,0]=3 2404 B5R0.3 NC(CO)CF MCULE-3756808200 [2,0,0,0,0,0|2,0,0]=4 2405 B5R0.3 NC(CO)CF MCULE-9468719402 [2,0,0,0,0,0|2,0,0]=4 2406 B5R0.3 NC(CO)CO MCULE-1559988016 [2,0,0,0,0,0|2,0,0]=4 2407 B5R0.3 NC(CO)CO MCULE-4954119952 [2,0,0,0,0,0|2,0,0]=4 2408 B5R0.3 NCC(F)CO MCULE-6156319956 [2,0,0,0,0,0|2,0,0]=4 2409 B5R0.3 NCC(F)CO MCULE-7472307328 [2,0,0,0,0,0|2,0,0]=4 2410 B5R0.3 NCC(O)CO MCULE-2689763818 [2,0,0,0,0,0|2,0,0]=4 2411 B5R0.3 NCC(O)CO MCULE-6096620010 [2,0,0,0,0,0|2,0,0]=4 2412 B5R0.3 NCC(O)CO MCULE-7307777212 [2,0,0,0,0,0|2,0,0]=4 2413 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [2,0,0,0,0,0|2,0,0]=4 2414 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [2,0,0,0,0,0|2,0,0]=4 2415 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [2,0,0,0,0,0|2,0,0]=4 2416 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [2,0,0,0,0,0|2,0,0]=4 2417 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [2,0,0,0,0,0|2,0,0]=4 2418 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [2,0,0,0,0,0|2,0,0]=4 2419 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [2,0,0,0,0,0|2,0,0]=4 2420 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [2,0,0,0,0,0|2,0,0]=4 2421 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [2,0,0,0,0,0|2,0,0]=4 2422 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [2,0,0,0,0,0|2,0,0]=4 2423 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [2,0,0,0,0,0|2,0,0]=4 2424 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [2,0,0,0,0,0|2,0,0]=4 2425 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [2,0,0,0,0,0|2,0,0]=4 2426 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [2,0,0,0,0,0|2,0,0]=4 2427 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [2,0,0,0,0,0|2,0,0]=4 2428 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [2,0,0,0,0,0|2,0,0]=4 2429 B5R0.3 N[C@@H](CO)CF MCULE-1103631898 [2,0,0,0,0,0|2,0,0]=4 2430 B5R0.3 N[C@@H](CO)CF MCULE-1137418239 [2,0,0,0,0,0|2,0,0]=4 2431 B5R0.3 N[C@@H](CO)CF MCULE-7452275160 [2,0,0,0,0,0|2,0,0]=4 2432 B5R0.3 N[C@@H](CO)CF MCULE-9154795583 [2,0,0,0,0,0|2,0,0]=4 2433 B5R0.3 N[C@H](CO)CF MCULE-1070351343 [2,0,0,0,0,0|2,0,0]=4 2434 B5R0.3 N[C@H](CO)CF MCULE-4715788718 [2,0,0,0,0,0|2,0,0]=4 2435 B5R0.3 N[C@H](CO)CF MCULE-8220585202 [2,0,0,0,0,0|2,0,0]=4 2436 B5R0.3 N[C@H](CO)CF MCULE-8991857376 [2,0,0,0,0,0|2,0,0]=4 2437 B5R0.3 O=CC(O)CO MCULE-9581740191 [2,0,0,0,0,0|2,0,0]=4 2438 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [2,0,0,0,0,0|2,0,0]=4 2439 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [2,0,0,0,0,0|2,0,0]=4 2440 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [2,0,0,0,0,0|2,0,0]=4 2441 B5R0.3 OCC(Br)CBr MCULE-9616107956 [2,0,0,0,0,0|2,0,0]=4 2442 B5R0.3 OCC(Br)CO MCULE-9272628834 [2,0,0,0,0,0|2,0,0]=4 2443 B5R0.3 OCC(Cl)CCl MCULE-2120585852 [2,0,0,0,0,0|2,0,0]=4 2444 B5R0.3 OCC(Cl)CO MCULE-7487945326 [2,0,0,0,0,0|2,0,0]=4 2445 B5R0.3 OCC(F)CBr MCULE-2889937576 [2,0,0,0,0,0|2,0,0]=4 2446 B5R0.3 OCC(F)CO MCULE-2970537690 [2,0,0,0,0,0|2,0,0]=4 2447 B5R0.3 OCC(O)CBr MCULE-9116190245 [2,0,0,0,0,0|2,0,0]=4 2448 B5R0.3 OCC(O)CCl MCULE-7895191088 [2,0,0,0,0,0|2,0,0]=4 2449 B5R0.3 OCC(O)CCl MCULE-8992242488 [2,0,0,0,0,0|2,0,0]=4 2450 B5R0.3 OCC(O)CF MCULE-3575952891 [2,0,0,0,0,0|2,0,0]=4 2451 B5R0.3 OCC(O)CF MCULE-8981430411 [2,0,0,0,0,0|2,0,0]=4 2452 B5R0.3 OCC(O)CI MCULE-6705992930 [2,0,0,0,0,0|2,0,0]=4 2453 B5R0.3 OCC(O)CO MCULE-6349111826 [2,0,0,0,0,0|2,0,0]=4 2454 B5R0.3 OCC(O)CS MCULE-6300188207 [2,0,0,0,0,0|2,0,0]=4 2455 B5R0.3 OCC(S)CS MCULE-9735516119 [2,0,0,0,0,0|2,0,0]=4 2456 B5R0.3 OC[C@@H](O)CCl MCULE-1311776512 [2,0,0,0,0,0|2,0,0]=4 2457 B5R0.3 OC[C@@H](O)CCl MCULE-2685107404 [2,0,0,0,0,0|2,0,0]=4 2458 B5R0.3 OC[C@@H](O)CF MCULE-3274443966 [2,0,0,0,0,0|2,0,0]=4 2459 B5R0.3 OC[C@@H](O)CF MCULE-5908395855 [2,0,0,0,0,0|2,0,0]=4 2460 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [2,0,0,0,0,0|2,0,0]=4 2461 B5R0.3 OC[C@H](O)CCl MCULE-2098232262 [2,0,0,0,0,0|2,0,0]=4 2462 B5R0.3 OC[C@H](O)CCl MCULE-5801605349 [2,0,0,0,0,0|2,0,0]=4 2463 B5R0.3 OC[C@H](O)CF MCULE-3309672397 [2,0,0,0,0,0|2,0,0]=4 2464 B5R0.3 OC[C@H](O)CF MCULE-7695783253 [2,0,0,0,0,0|2,0,0]=4 2465 B7R0.3 C=CCCC(C)CN MCULE-2246705867 [1,1,0,0,0,0|2,0,0]=4 2466 B7R0.3 C=CCCC(C)CN MCULE-5238030814 [1,1,0,0,0,0|2,0,0]=4 2467 B7R0.3 C=CCCC(N)CC MCULE-4520234599 [1,1,0,0,0,0|2,0,0]=4 2468 B7R0.3 C=CCCC(N)CC MCULE-9493759139 [1,1,0,0,0,0|2,0,0]=4 2469 B7R0.3 C=CCCC(O)CC MCULE-1265881694 [1,1,0,0,0,0|2,0,0]=4 2470 B7R0.3 C=CCOC(C)CN MCULE-7634569955 [1,1,0,0,0,0|2,0,0]=4 2471 B7R0.3 C=CCO[C@@H](C)CN MCULE-4623222070 [1,1,0,0,0,0|2,0,0]=4 2472 B7R0.3 C=CCO[C@@H](C)CO MCULE-6699692288 [1,1,0,0,0,0|2,0,0]=4 2473 B7R0.3 CC(CN)CCCO MCULE-2908684674 [1,1,0,0,0,0|1,0,1]=4 2474 B7R0.3 CC(CN)CCCO MCULE-5608783947 [1,1,0,0,0,0|1,0,1]=4 2475 B7R0.3 CC(CN)CCCO MCULE-9269954426 [1,1,0,0,0,0|1,0,1]=4 2476 B7R0.3 CC(CO)CCCO MCULE-8589885622 [1,1,0,0,0,0|1,0,1]=4 2477 B7R0.3 CC(CO)NCCO MCULE-5180763491 [1,1,0,0,0,0|1,0,1]=4 2478 B7R0.3 CC/C=C/C(C)CC MCULE-2438890702 [1,1,0,0,0,0|1,0,1]=4 2479 B7R0.3 CC=CCC(C)CC MCULE-4817855750 [1,1,0,0,0,0|1,0,0]=3 2480 B7R0.3 CCC(C)CCCO MCULE-2323419626 [1,1,0,0,0,0|0,0,1]=3 2481 B7R0.3 CCC(C)CN=C=S MCULE-2028313910 [1,1,0,0,0,0|0,1,1]=4 2482 B7R0.3 CCC(C)NCCO MCULE-1340916666 [1,1,0,0,0,0|0,0,1]=3 2483 B7R0.3 CCC(N)CCCO MCULE-3868205501 [1,1,0,0,0,0|1,0,1]=4 2484 B7R0.3 CCC(N)CCOC MCULE-8279767210 [1,1,0,0,0,0|1,0,1]=4 2485 B7R0.3 CCC(O)C=CC=O MCULE-4385008411 [1,1,0,0,0,0|1,0,1]=4 2486 B7R0.3 CCC(O)CCCO MCULE-1099760826 [1,1,0,0,0,0|1,0,1]=4 2487 B7R0.3 CCC(O)CCOC MCULE-1245099360 [1,1,0,0,0,0|1,0,1]=4 2488 B7R0.3 CCC=CC(C)CC MCULE-8910467842 [1,1,0,0,0,0|1,0,1]=4 2489 B7R0.3 CCCCC(C)CC MCULE-9471981954 [1,1,0,0,0,0|1,0,1]=4 2490 B7R0.3 CCCNC(C)CC MCULE-8533643430 [1,1,0,0,0,0|1,0,1]=4 2491 B7R0.3 CCN(C)CCCO MCULE-9090885474 [1,1,0,0,0,0|1,0,1]=4 2492 B7R0.3 CCNCC(C)CC MCULE-8768620428 [1,1,0,0,0,0|1,0,1]=4 2493 B7R0.3 CCNCC(C)CC MCULE-9491990692 [1,1,0,0,0,0|1,0,1]=4 2494 B7R0.3 CC[C@H](C)CCCO MCULE-1760153718 [1,1,0,0,0,0|0,0,1]=3 2495 B7R0.3 CC[C@H](C)CCCO MCULE-3488695651 [1,1,0,0,0,0|0,0,1]=3 2496 B7R0.3 COCCC(C)CN MCULE-7288397543 [1,1,0,0,0,0|1,0,1]=4 2497 B7R0.3 C[C@@H](CN)CCCO MCULE-2859776250 [1,1,0,0,0,0|1,0,1]=4 2498 B7R0.3 C[C@@H](CN)CCCO MCULE-3245433953 [1,1,0,0,0,0|1,0,1]=4 2499 B7R0.3 C[C@@H](CN)CCCO MCULE-7698870351 [1,1,0,0,0,0|1,0,1]=4 2500 B7R0.3 C[C@@H](CN)CCCO MCULE-9900676606 [1,1,0,0,0,0|1,0,1]=4 2501 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [1,1,0,0,0,0|1,0,1]=4 2502 B7R0.5 C=CCC(C)C(C)C MCULE-8461199830 [1,1,0,0,0,0|1,0,0]=3 2503 B7R0.5 C=CCC(O)C(C)C MCULE-2334905388 [1,1,0,0,0,0|2,0,0]=4 2504 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [1,1,0,0,0,0|0,0,2]=4 2505 B7R0.5 CC(C)C(C)CCO MCULE-9837449555 [1,1,0,0,0,0|0,0,1]=3 2506 B7R0.5 CC(C)C(C)N=C=O MCULE-2911676446 [1,1,0,0,0,0|1,0,1]=4 2507 B7R0.5 CC(C)C(N)CCO MCULE-4571836019 [1,1,0,0,0,0|1,0,1]=4 2508 B7R0.5 CC(C)C(O)CCO MCULE-8819967893 [1,1,0,0,0,0|1,0,1]=4 2509 B7R0.5 CC(C)N(C)CCO MCULE-5948661117 [1,1,0,0,0,0|1,0,1]=4 2510 B7R0.5 CC(C)[C@H](N)CCO MCULE-5628923252 [1,1,0,0,0,0|1,0,1]=4 2511 B7R0.5 CC(CCO)N(C)C MCULE-4175956173 [1,1,0,0,0,0|1,0,1]=4 2512 B7R0.5 CCCC(C)C(C)C MCULE-1008931357 [1,1,0,0,0,0|1,0,1]=4 2513 B7R0.5 CCCC(C)C(C)N MCULE-3555650010 [1,1,0,0,0,0|1,0,1]=4 2514 B7R0.5 CCCC(C)C(C)N MCULE-8637319249 [1,1,0,0,0,0|1,0,1]=4 2515 B7R0.5 CCCC(C)C(C)O MCULE-3222709632 [1,1,0,0,0,0|1,0,1]=4 2516 B7R0.5 COCC(C)C(C)N MCULE-6465669754 [1,1,0,0,0,0|2,0,0]=4 2517 B7R0.7 C=CCC(N)COC MCULE-6306522587 [1,1,0,0,0,0|2,0,0]=4 2518 B7R0.7 C=CCC(O)CCC MCULE-4006607391 [1,1,0,0,0,0|2,0,0]=4 2519 B7R0.7 C=CCN(C)CCO MCULE-5364416545 [1,1,0,0,0,0|2,0,0]=4 2520 B7R0.7 CC(CCBr)CCBr MCULE-4358998001 [1,1,0,0,0,0|1,0,1]=4 2521 B7R0.7 CC(CCN)CCO MCULE-7864092529 [1,1,0,0,0,0|0,0,1]=3 2522 B7R0.7 CC(CCO)CCO MCULE-5426211201 [1,1,0,0,0,0|0,0,1]=3 2523 B7R0.7 CCCC(C)CCC MCULE-5291190768 [1,1,0,0,0,0|1,0,1]=4 2524 B7R0.7 CCCC(C)CCO MCULE-6887128167 [1,1,0,0,0,0|0,0,1]=3 2525 B7R0.7 CCCC(C)N=C=O MCULE-9843542105 [1,1,0,0,0,0|1,0,1]=4 2526 B7R0.7 CCCC(C)NCC MCULE-3443551812 [1,1,0,0,0,0|1,0,1]=4 2527 B7R0.7 CCCC(C)NCC MCULE-7227087576 [1,1,0,0,0,0|1,0,1]=4 2528 B7R0.7 CCCC(C)OCC MCULE-2678814077 [1,1,0,0,0,0|1,0,1]=4 2529 B7R0.7 CCCC(N)CCO MCULE-3641094890 [1,1,0,0,0,0|1,0,1]=4 2530 B7R0.7 CCCC(N)CCO MCULE-5323991138 [1,1,0,0,0,0|1,0,1]=4 2531 B7R0.7 CCCC(N)CCO MCULE-6597027417 [1,1,0,0,0,0|1,0,1]=4 2532 B7R0.7 CCCC(N)CCO MCULE-8093709628 [1,1,0,0,0,0|1,0,1]=4 2533 B7R0.7 CCCC(O)CCO MCULE-6957178966 [1,1,0,0,0,0|1,0,1]=4 2534 B7R0.7 CCCC(S)CCO MCULE-7972451905 [1,1,0,0,0,0|1,0,1]=4 2535 B7R0.7 CCC[C@@H](N)CCO MCULE-1862127512 [1,1,0,0,0,0|1,0,1]=4 2536 B7R0.7 CCC[C@@H](N)CCO MCULE-3031366486 [1,1,0,0,0,0|1,0,1]=4 2537 B7R0.7 CCC[C@@H](N)CCO MCULE-4433535200 [1,1,0,0,0,0|1,0,1]=4 2538 B7R0.7 CCC[C@@H](N)CCO MCULE-8325506694 [1,1,0,0,0,0|1,0,1]=4 2539 B7R0.7 CCC[C@H](N)CCO MCULE-3164100995 [1,1,0,0,0,0|1,0,1]=4 2540 B7R0.7 CCC[C@H](N)CCO MCULE-3262978007 [1,1,0,0,0,0|1,0,1]=4 2541 B7R0.7 CCC[C@H](N)CCO MCULE-3382311889 [1,1,0,0,0,0|1,0,1]=4 2542 B7R0.7 CCC[C@H](N)CCO MCULE-4865013919 [1,1,0,0,0,0|1,0,1]=4 2543 B7R0.7 CCNC(C)CCO MCULE-5904294074 [1,1,0,0,0,0|0,0,1]=3 2544 B7R0.7 CCNC(C)COC MCULE-3519332383 [1,1,0,0,0,0|2,0,0]=4 2545 B7R0.7 CCNC(C)COC MCULE-9226487666 [1,1,0,0,0,0|2,0,0]=4 2546 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [1,1,0,0,0,0|1,0,1]=4 2547 B7R0.7 CCOC(C)CNC MCULE-9630095723 [1,1,0,0,0,0|2,0,0]=4 2548 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [1,1,0,0,0,0|0,0,0]=2 2549 B7R0.7 CN(CCN)CCO MCULE-2960427748 [1,1,0,0,0,0|1,0,1]=4 2550 B7R0.7 CN(CCO)CCO MCULE-3967840948 [1,1,0,0,0,0|1,0,1]=4 2551 B7R0.7 CN(CCO)CCO MCULE-6878116085 [1,1,0,0,0,0|1,0,1]=4 2552 B7R0.7 COCC(C)CC#N MCULE-8156908577 [1,1,0,0,0,0|1,0,1]=4 2553 B7R0.7 COCC(C)CCO MCULE-6812981556 [1,1,0,0,0,0|0,0,1]=3 2554 B7R0.7 COCC(C)N=C=O MCULE-5875044784 [1,1,0,0,0,0|1,0,1]=4 2555 B7R0.7 COCC(N)CCO MCULE-2569422233 [1,1,0,0,0,0|1,0,1]=4 2556 B7R0.7 CSCC(N)CCO MCULE-2899374338 [1,1,0,0,0,0|1,0,1]=4 2557 B7R0.7 OCCC(O)CCO MCULE-1162803524 [1,1,0,0,0,0|1,0,1]=4 2558 B7R0.10 C#CC(N)C(C)CC MCULE-4599913336 [1,1,0,0,0,0|1,0,1]=4 2559 B7R0.10 C#CC(N)C(C)CC MCULE-6841022785 [1,1,0,0,0,0|1,0,1]=4 2560 B7R0.10 C=CC(C)C(C)CC MCULE-2366850706 [1,1,0,0,0,0|1,0,0]=3 2561 B7R0.10 CC(CN)C(N)CO MCULE-1520376315 [1,1,0,0,0,0|1,0,1]=4 2562 B7R0.10 CC(CN)[C@H](N)CO MCULE-9250442888 [1,1,0,0,0,0|1,0,1]=4 2563 B7R0.10 CCC(C)/C(=N/O)/N MCULE-3220820796 [1,1,0,0,0,0|1,0,1]=4 2564 B7R0.10 CCC(C)/C(=N/O)/N MCULE-6860766298 [1,1,0,0,0,0|1,0,1]=4 2565 B7R0.10 CCC(C)C(C)CC MCULE-8164178184 [1,1,0,0,0,0|1,0,1]=4 2566 B7R0.10 CCC(C)C(N)C#N MCULE-4516295423 [1,1,0,0,0,0|1,0,1]=4 2567 B7R0.10 CCC(C)C(N)C#N MCULE-9668149479 [1,1,0,0,0,0|1,0,1]=4 2568 B7R0.10 CCC(C)C(N)CO MCULE-3990781918 [1,1,0,0,0,0|0,0,1]=3 2569 B7R0.10 CCC(C)C(N)CO MCULE-9261445768 [1,1,0,0,0,0|0,0,1]=3 2570 B7R0.10 CCC(C)C(O)CC MCULE-3936368693 [1,1,0,0,0,0|1,0,1]=4 2571 B7R0.10 CCC(C)C(O)CN MCULE-1941564207 [1,1,0,0,0,0|1,0,1]=4 2572 B7R0.10 CCC(C)C(O)CO MCULE-9999862073 [1,1,0,0,0,0|0,0,1]=3 2573 B7R0.10 CCC(C)[C@H](N)C#N MCULE-7403677699 [1,1,0,0,0,0|1,0,1]=4 2574 B7R0.10 CCC(C)[C@H](N)C#N MCULE-7724941860 [1,1,0,0,0,0|1,0,1]=4 2575 B7R0.10 CCC(C)[C@H](N)C#N MCULE-8975526389 [1,1,0,0,0,0|1,0,1]=4 2576 B7R0.10 CCC(C)[C@H](N)C#N MCULE-9352431409 [1,1,0,0,0,0|1,0,1]=4 2577 B7R0.10 CCC(O)C(C)CO MCULE-3930931405 [1,1,0,0,0,0|1,0,1]=4 2578 B7R0.10 CCC(O)C(C)CO MCULE-4472852672 [1,1,0,0,0,0|1,0,1]=4 2579 B7R0.10 CCC(S)C(C)CO MCULE-1500370684 [1,1,0,0,0,0|1,0,1]=4 2580 B7R0.10 CCN(C)C(C)CO MCULE-3647031998 [1,1,0,0,0,0|1,0,1]=4 2581 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-2122638055 [1,1,0,0,0,0|0,0,1]=3 2582 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-7964651759 [1,1,0,0,0,0|0,0,1]=3 2583 B7R0.10 CC[C@@H](C)[C@@H](N)CO MCULE-8482653298 [1,1,0,0,0,0|0,0,1]=3 2584 B7R0.10 CC[C@H](C)[C@H](N)CF MCULE-3409941550 [1,1,0,0,0,0|1,0,1]=4 2585 B7R0.10 CC[C@H](C)[C@H](N)CF MCULE-9750756690 [1,1,0,0,0,0|1,0,1]=4 2586 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-3647332227 [1,1,0,0,0,0|0,0,1]=3 2587 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-5774547825 [1,1,0,0,0,0|0,0,1]=3 2588 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8401203397 [1,1,0,0,0,0|0,0,1]=3 2589 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-8452836661 [1,1,0,0,0,0|0,0,1]=3 2590 B7R0.10 CC[C@H](C)[C@H](N)CO MCULE-9307589673 [1,1,0,0,0,0|0,0,1]=3 2591 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [1,1,0,0,0,0|2,0,0]=4 2592 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [1,1,0,0,0,0|2,0,0]=4 2593 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [1,1,0,0,0,0|2,0,0]=4 2594 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [1,1,0,0,0,0|2,0,0]=4 2595 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [1,1,0,0,0,0|2,0,0]=4 2596 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [1,1,0,0,0,0|2,0,0]=4 2597 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [1,1,0,0,0,0|2,0,0]=4 2598 B7R0.10 [C@@H](C)(CC)[C@@H](N)CO MCULE-4423825378 [1,1,0,0,0,0|0,0,1]=3 2599 B7R0.11 C#CCC(C)(O)CC MCULE-6426679594 [1,1,0,0,0,0|1,0,1]=4 2600 B7R0.11 C=CCC(C)(C)CBr MCULE-9740943164 [1,1,0,0,0,0|2,0,0]=4 2601 B7R0.11 C=CCC(C)(C)CN MCULE-2595926487 [1,1,0,0,0,0|2,0,0]=4 2602 B7R0.11 C=CCC(C)(C)CN MCULE-2740367961 [1,1,0,0,0,0|2,0,0]=4 2603 B7R0.11 C=CCC(C)(C)CO MCULE-7471335170 [1,1,0,0,0,0|2,0,0]=4 2604 B7R0.11 C=CCC(C)(O)CC MCULE-9630662931 [1,1,0,0,0,0|1,0,0]=3 2605 B7R0.11 CC(C)(C#N)CC=O MCULE-9073567251 [1,1,0,0,0,0|1,0,1]=4 2606 B7R0.11 CC(C)(CN)CCO MCULE-8453542373 [1,1,0,0,0,0|1,0,1]=4 2607 B7R0.11 CC(C)(CO)CCO MCULE-1756560398 [1,1,0,0,0,0|1,0,1]=4 2608 B7R0.11 CC(C)(CO)NC=O MCULE-3904144073 [1,1,0,0,0,0|2,0,0]=4 2609 B7R0.11 CC(O)(CO)CCO MCULE-4148316300 [1,1,0,0,0,0|1,0,1]=4 2610 B7R0.11 CCC(C)(C)C=NO MCULE-6597900233 [1,1,0,0,0,0|1,0,1]=4 2611 B7R0.11 CCC(C)(C)CC=O MCULE-5511626130 [1,1,0,0,0,0|0,0,0]=2 2612 B7R0.11 CCC(C)(C)CCBr MCULE-8754627573 [1,1,0,0,0,0|1,0,1]=4 2613 B7R0.11 CCC(C)(C)CCCl MCULE-2699346020 [1,1,0,0,0,0|1,0,1]=4 2614 B7R0.11 CCC(C)(C)CCN MCULE-3224833531 [1,1,0,0,0,0|1,0,1]=4 2615 B7R0.11 CCC(C)(C)CCN MCULE-6016829915 [1,1,0,0,0,0|1,0,1]=4 2616 B7R0.11 CCC(C)(C)CCO MCULE-5248034600 [1,1,0,0,0,0|0,0,1]=3 2617 B7R0.11 CCC(C)(N)CCO MCULE-7673513204 [1,1,0,0,0,0|0,0,1]=3 2618 B7R0.11 CCC(C)(O)CCO MCULE-6173398477 [1,1,0,0,0,0|0,0,1]=3 2619 B7R0.11 CCCC(C)(C)CC MCULE-6673337989 [1,1,0,0,0,0|1,0,1]=4 2620 B7R0.11 CCCC(C)(O)CC MCULE-9155096022 [1,1,0,0,0,0|1,0,1]=4 2621 B7R0.11 CNC(C)(C)CCO MCULE-4689746373 [1,1,0,0,0,0|1,0,1]=4 2622 B7R0.11 COC(C)(C)CC=O MCULE-7442199663 [1,1,0,0,0,0|1,0,0]=3 2623 B7R0.11 COC(C)(C)CCO MCULE-4448949329 [1,1,0,0,0,0|1,0,1]=4 2624 B7R0.11 CSC(C)(C)CC=O MCULE-1759296791 [1,1,0,0,0,0|1,0,0]=3 2625 B7R0.12 C=CCC(CO)CO MCULE-4178696072 [1,1,0,0,0,0|2,0,0]=4 2626 B7R0.12 C=CCN(CC)CC MCULE-1169203218 [1,1,0,0,0,0|2,0,0]=4 2627 B7R0.12 CCC(CC)CC=O MCULE-2208426846 [1,1,0,0,0,0|0,0,0]=2 2628 B7R0.12 CCC(CC)CCN MCULE-4512470364 [1,1,0,0,0,0|1,0,1]=4 2629 B7R0.12 CCC(CC)CCO MCULE-1684491793 [1,1,0,0,0,0|0,0,1]=3 2630 B7R0.12 CCC(CC)CNN MCULE-7524193355 [1,1,0,0,0,0|2,0,0]=4 2631 B7R0.12 CCC(CC)CNN MCULE-7889669164 [1,1,0,0,0,0|2,0,0]=4 2632 B7R0.12 CCC(CC)CON MCULE-6366873843 [1,1,0,0,0,0|2,0,0]=4 2633 B7R0.12 CCC(CC)N=C=O MCULE-1936358951 [1,1,0,0,0,0|1,0,1]=4 2634 B7R0.12 CCC(CN)CCO MCULE-4612619767 [1,1,0,0,0,0|0,0,1]=3 2635 B7R0.12 CCC(CSC)NC MCULE-6079897043 [1,1,0,0,0,0|2,0,0]=4 2636 B7R0.12 CCN(CC)CCO MCULE-6638681325 [1,1,0,0,0,0|1,0,1]=4 2637 B7R0.12 CCN(CC)CCO MCULE-8115329454 [1,1,0,0,0,0|1,0,1]=4 2638 B7R0.12 OCCC(CO)CO MCULE-7198799967 [1,1,0,0,0,0|1,0,1]=4 2639 B7R0.9 C=C(C)CC(C)(C)C MCULE-2888894392 [1,1,0,0,0,0|2,0,0]=4 2640 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [1,1,0,0,0,0|1,0,0]=3 2641 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [1,1,0,0,0,0|1,0,0]=3 2642 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [1,1,0,0,0,0|1,0,0]=3 2643 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [1,1,0,0,0,0|1,0,0]=3 2644 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [1,1,0,0,0,0|1,0,0]=3 2645 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [1,1,0,0,0,0|1,0,0]=3 2646 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [1,1,0,0,0,0|1,0,0]=3 2647 B7R0.9 CC(=O)NC(C)(C)C MCULE-7590749185 [1,1,0,0,0,0|2,0,0]=4 2648 B7R0.9 CC(=O)OC(C)(C)C MCULE-4713236745 [1,1,0,0,0,0|2,0,0]=4 2649 B7R0.9 CC(=O)SC(C)(C)C MCULE-7111846167 [1,1,0,0,0,0|2,0,0]=4 2650 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [1,1,0,0,0,0|0,0,0]=2 2651 B7R0.9 CC(C)(C)CB(O)O MCULE-7159615994 [1,1,0,0,0,0|1,0,1]=4 2652 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [1,1,0,0,0,0|1,0,0]=3 2653 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [1,1,0,0,0,0|1,0,0]=3 2654 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [1,1,0,0,0,0|0,0,0]=2 2655 B7R0.9 CC(C)(C)CS(=O)[O-] MCULE-3570989156 [1,1,0,0,0,0|1,0,1]=4 2656 B7R0.9 CC(C)(C)CS(=O)[O-] MCULE-8224255733 [1,1,0,0,0,0|1,0,1]=4 2657 B7R0.9 CC(C)(C)NC(=O)N MCULE-7867571542 [1,1,0,0,0,0|2,0,0]=4 2658 B7R0.9 CC(C)(C)OC(=O)N MCULE-8089044173 [1,1,0,0,0,0|2,0,0]=4 2659 B7R0.9 CC(C)(C)SC(=O)Cl MCULE-5079482641 [1,1,0,0,0,0|2,0,0]=4 2660 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [1,1,0,0,0,0|1,0,0]=3 2661 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [1,1,0,0,0,0|1,0,0]=3 2662 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [1,1,0,0,0,0|0,0,0]=2 2663 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [1,1,0,0,0,0|0,0,0]=2 2664 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [1,1,0,0,0,0|0,0,0]=2 2665 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [1,1,0,0,0,0|0,0,0]=2 2666 B7R0.9 CC(C)(O)CN(=O)=O MCULE-5099028458 [1,1,0,0,0,0|1,0,1]=4 2667 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [1,1,0,0,0,0|0,0,0]=2 2668 B7R0.9 CC(C)CC(C)(C)O MCULE-3204875128 [1,1,0,0,0,0|1,0,1]=4 2669 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [1,1,0,0,0,0|1,0,0]=3 2670 B7R0.9 CC(C)CS(=O)(=O)Cl MCULE-9367875558 [1,1,0,0,0,0|1,0,1]=4 2671 B7R0.9 CC(C)CS(=O)(=O)F MCULE-1313713922 [1,1,0,0,0,0|1,0,1]=4 2672 B7R0.9 CC(C)CS(=O)(=O)N MCULE-9972789825 [1,1,0,0,0,0|1,0,1]=4 2673 B7R0.9 CC(C)NS(=O)(=O)O MCULE-8414216278 [1,1,0,0,0,0|2,0,0]=4 2674 B7R0.9 CC(C)OS(=O)(=O)O MCULE-9056417787 [1,1,0,0,0,0|2,0,0]=4 2675 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [1,1,0,0,0,0|1,0,0]=3 2676 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [1,1,0,0,0,0|2,0,0]=4 2677 B7R0.9 CC(O)CC(C)(C)C MCULE-3536219229 [1,1,0,0,0,0|1,0,1]=4 2678 B7R0.9 CC(O)CC(C)(C)N MCULE-2860111904 [1,1,0,0,0,0|1,0,1]=4 2679 B7R0.9 CC(O)CC(C)(C)O MCULE-5281049691 [1,1,0,0,0,0|1,0,1]=4 2680 B7R0.9 CC(O)CC(C)(C)O MCULE-8163963858 [1,1,0,0,0,0|1,0,1]=4 2681 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [1,1,0,0,0,0|2,0,0]=4 2682 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [1,1,0,0,0,0|1,0,0]=3 2683 B7R0.9 C[As+](C)(C)CC(=O)[O-] MCULE-4852790942 [1,1,0,0,0,0|1,0,1]=4 2684 B7R0.9 C[C@@H](O)CC(C)(C)O MCULE-5779966658 [1,1,0,0,0,0|1,0,1]=4 2685 B7R0.9 C[C@H](O)CC(C)(C)O MCULE-6903579241 [1,1,0,0,0,0|1,0,1]=4 2686 B7R0.9 C[N+](C)(C)CC(=O)Cl MCULE-1674168490 [1,1,0,0,0,0|2,0,0]=4 2687 B7R0.9 C[N+](C)(C)CC(=O)Cl MCULE-2186832169 [1,1,0,0,0,0|2,0,0]=4 2688 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-3264501433 [1,1,0,0,0,0|2,0,0]=4 2689 B7R0.9 C[N+](C)(C)CC(=O)N MCULE-9355968445 [1,1,0,0,0,0|2,0,0]=4 2690 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [1,1,0,0,0,0|1,0,0]=3 2691 B7R0.9 C[N+](C)(C)CC(=O)[O-] MCULE-8745470661 [1,1,0,0,0,0|1,0,1]=4 2692 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [1,1,0,0,0,0|0,1,0]=3 2693 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [1,1,0,0,0,0|2,0,0]=4 2694 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [1,1,0,0,0,0|0,0,1]=3 2695 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [1,1,0,0,0,0|0,0,2]=4 2696 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [1,1,0,0,0,0|0,0,2]=4 2697 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [1,1,0,0,0,0|0,0,2]=4 2698 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [1,1,0,0,0,0|0,0,2]=4 2699 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [1,1,0,0,0,0|0,0,2]=4 2700 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [1,1,0,0,0,0|0,0,2]=4 2701 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [1,1,0,0,0,0|0,0,2]=4 2702 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [1,1,0,0,0,0|0,0,2]=4 2703 B7R0.16 CC(=C(Br)C(=O)O)C MCULE-8944482091 [1,1,0,0,0,0|0,0,2]=4 2704 B7R0.16 CC(=C(C)C(=O)O)C MCULE-1062537992 [1,1,0,0,0,0|0,0,2]=4 2705 B7R0.16 CC(=C(Cl)C(=O)O)C MCULE-9408683615 [1,1,0,0,0,0|0,0,2]=4 2706 B7R0.16 CC(=C(F)C(=O)O)C MCULE-9025515032 [1,1,0,0,0,0|0,0,2]=4 2707 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [1,1,0,0,0,0|1,0,0]=3 2708 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [1,1,0,0,0,0|1,0,0]=3 2709 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [1,1,0,0,0,0|1,0,0]=3 2710 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [1,1,0,0,0,0|1,0,0]=3 2711 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [1,1,0,0,0,0|1,0,0]=3 2712 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [1,1,0,0,0,0|1,0,0]=3 2713 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [1,1,0,0,0,0|2,0,0]=4 2714 B7R0.16 CC(C)C(=O)C(=O)Cl MCULE-6254092186 [1,1,0,0,0,0|1,0,1]=4 2715 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [1,1,0,0,0,0|0,0,1]=3 2716 B7R0.16 CC(C)C(=O)C(=O)[O-] MCULE-3960241746 [1,1,0,0,0,0|0,0,2]=4 2717 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [1,1,0,0,0,0|1,0,0]=3 2718 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [1,1,0,0,0,0|1,0,0]=3 2719 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [1,1,0,0,0,0|1,0,0]=3 2720 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [1,1,0,0,0,0|0,0,0]=2 2721 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [1,1,0,0,0,0|0,0,0]=2 2722 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [1,1,0,0,0,0|1,0,0]=3 2723 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [1,1,0,0,0,0|0,0,0]=2 2724 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [1,1,0,0,0,0|1,0,0]=3 2725 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [1,1,0,0,0,0|0,0,0]=2 2726 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [1,1,0,0,0,0|0,0,0]=2 2727 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [1,1,0,0,0,0|1,0,0]=3 2728 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [1,1,0,0,0,0|1,0,0]=3 2729 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [1,1,0,0,0,0|0,0,0]=2 2730 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [1,1,0,0,0,0|0,0,0]=2 2731 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [1,1,0,0,0,0|0,0,0]=2 2732 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [1,1,0,0,0,0|0,0,0]=2 2733 B7R0.16 CC(C)N(C)C(=O)Cl MCULE-1063482503 [1,1,0,0,0,0|2,0,0]=4 2734 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [1,1,0,0,0,0|0,0,0]=2 2735 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [1,1,0,0,0,0|0,0,0]=2 2736 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [1,1,0,0,0,0|1,0,0]=3 2737 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [1,1,0,0,0,0|1,0,0]=3 2738 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [1,1,0,0,0,0|1,0,0]=3 2739 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [1,1,0,0,0,0|1,0,0]=3 2740 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [1,1,0,0,0,0|0,0,0]=2 2741 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [1,1,0,0,0,0|0,0,0]=2 2742 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [1,1,0,0,0,0|0,0,0]=2 2743 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [1,1,0,0,0,0|0,0,0]=2 2744 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [1,1,0,0,0,0|0,0,0]=2 2745 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [1,1,0,0,0,0|0,0,0]=2 2746 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [1,1,0,0,0,0|0,0,0]=2 2747 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [1,1,0,0,0,0|0,0,0]=2 2748 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [1,1,0,0,0,0|0,0,0]=2 2749 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [1,1,0,0,0,0|0,0,0]=2 2750 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [1,1,0,0,0,0|1,0,0]=3 2751 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [1,1,0,0,0,0|1,0,0]=3 2752 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [1,1,0,0,0,0|1,0,0]=3 2753 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [1,1,0,0,0,0|1,0,0]=3 2754 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [1,1,0,0,0,0|1,0,0]=3 2755 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [1,1,0,0,0,0|1,0,0]=3 2756 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [1,1,0,0,0,0|0,0,0]=2 2757 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [1,1,0,0,0,0|0,0,0]=2 2758 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [1,1,0,0,0,0|0,0,0]=2 2759 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [1,1,0,0,0,0|0,0,0]=2 2760 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [1,1,0,0,0,0|1,0,0]=3 2761 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [1,1,0,0,0,0|1,0,0]=3 2762 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [1,1,0,0,0,0|1,0,0]=3 2763 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [1,1,0,0,0,0|1,0,0]=3 2764 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [1,1,0,0,0,0|1,0,0]=3 2765 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [1,1,0,0,0,0|1,0,0]=3 2766 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [1,1,0,0,0,0|2,0,0]=4 2767 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [1,1,0,0,0,0|2,0,0]=4 2768 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [1,1,0,0,0,0|1,0,0]=3 2769 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [1,1,0,0,0,0|1,0,0]=3 2770 B7R0.16 CN(C)C(=O)C(=O)O MCULE-4063274840 [1,1,0,0,0,0|1,0,1]=4 2771 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [1,1,0,0,0,0|1,0,0]=3 2772 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [1,1,0,0,0,0|1,0,0]=3 2773 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [1,1,0,0,0,0|1,0,0]=3 2774 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [1,1,0,0,0,0|1,0,0]=3 2775 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [1,1,0,0,0,0|1,0,0]=3 2776 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [1,1,0,0,0,0|1,0,0]=3 2777 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [1,1,0,0,0,0|1,0,0]=3 2778 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [1,1,0,0,0,0|1,0,0]=3 2779 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [1,1,0,0,0,0|2,0,0]=4 2780 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [1,1,0,0,0,0|2,0,0]=4 2781 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [1,1,0,0,0,0|2,0,0]=4 2782 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [1,1,0,0,0,0|2,0,0]=4 2783 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [1,1,0,0,0,0|2,0,0]=4 2784 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [1,1,0,0,0,0|2,0,0]=4 2785 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [1,1,0,0,0,0|1,0,0]=3 2786 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [1,1,0,0,0,0|1,0,0]=3 2787 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [1,1,0,0,0,0|1,0,0]=3 2788 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [1,1,0,0,0,0|1,0,0]=3 2789 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [1,1,0,0,0,0|1,0,0]=3 2790 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [1,1,0,0,0,0|1,0,0]=3 2791 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-1489374162 [1,1,0,0,0,0|2,0,0]=4 2792 B7R0.16 C[C@H](C(=O)N)N(C)C MCULE-7938995734 [1,1,0,0,0,0|2,0,0]=4 2793 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [1,1,0,0,0,0|1,0,0]=3 2794 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [1,1,0,0,0,0|1,0,0]=3 2795 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [1,1,0,0,0,0|1,0,0]=3 2796 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [1,1,0,0,0,0|1,0,0]=3 2797 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [1,1,0,0,0,0|1,0,0]=3 2798 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [1,1,0,0,0,0|1,0,0]=3 2799 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [1,1,0,0,0,0|1,0,0]=3 2800 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [1,1,0,0,0,0|1,0,0]=3 2801 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [1,1,0,0,0,0|1,0,0]=3 2802 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [1,1,0,0,0,0|1,0,0]=3 2803 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [1,1,0,0,0,0|1,0,0]=3 2804 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [1,1,0,0,0,0|1,0,0]=3 2805 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [1,1,0,0,0,0|1,0,0]=3 2806 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [1,1,0,0,0,0|1,0,0]=3 2807 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [1,1,0,0,0,0|1,0,0]=3 2808 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [1,1,0,0,0,0|2,0,0]=4 2809 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [1,1,0,0,0,0|1,0,1]=4 2810 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [1,1,0,0,0,0|1,0,1]=4 2811 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [1,1,0,0,0,0|1,0,1]=4 2812 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [1,1,0,0,0,0|0,0,1]=3 2813 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [1,1,0,0,0,0|0,0,2]=4 2814 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [1,1,0,0,0,0|0,0,2]=4 2815 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [1,1,0,0,0,0|0,0,2]=4 2816 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [1,1,0,0,0,0|0,0,2]=4 2817 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [1,1,0,0,0,0|0,0,1]=3 2818 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [1,1,0,0,0,0|0,0,1]=3 2819 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [1,1,0,0,0,0|2,0,0]=4 2820 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [1,1,0,0,0,0|2,0,0]=4 2821 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [1,1,0,0,0,0|2,0,0]=4 2822 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [1,1,0,0,0,0|0,0,2]=4 2823 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [1,1,0,0,0,0|1,0,1]=4 2824 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [1,1,0,0,0,0|0,0,1]=3 2825 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [1,1,0,0,0,0|0,0,2]=4 2826 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [1,1,0,0,0,0|0,0,2]=4 2827 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [1,1,0,0,0,0|0,0,2]=4 2828 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [1,1,0,0,0,0|0,0,2]=4 2829 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [1,1,0,0,0,0|0,0,1]=3 2830 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [1,1,0,0,0,0|1,0,1]=4 2831 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [1,1,0,0,0,0|1,0,0]=3 2832 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [1,1,0,0,0,0|1,0,0]=3 2833 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [1,1,0,0,0,0|1,0,0]=3 2834 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [1,1,0,0,0,0|2,0,0]=4 2835 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [1,1,0,0,0,0|2,0,0]=4 2836 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [1,1,0,0,0,0|2,0,0]=4 2837 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [1,1,0,0,0,0|2,0,0]=4 2838 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [1,1,0,0,0,0|2,0,0]=4 2839 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [1,1,0,0,0,0|2,0,0]=4 2840 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [1,1,0,0,0,0|2,0,0]=4 2841 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [1,1,0,0,0,0|2,0,0]=4 2842 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [1,1,0,0,0,0|2,0,0]=4 2843 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [1,1,0,0,0,0|2,0,0]=4 2844 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [1,1,0,0,0,0|2,0,0]=4 2845 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [1,1,0,0,0,0|2,0,0]=4 2846 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [1,1,0,0,0,0|2,0,0]=4 2847 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [1,1,0,0,0,0|2,0,0]=4 2848 B7R0.4 CC(O)CCCCO MCULE-3790969400 [1,1,0,0,0,0|1,0,1]=4 2849 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [1,1,0,0,0,0|0,0,1]=3 2850 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [1,1,0,0,0,0|1,0,1]=4 2851 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [1,1,0,0,0,0|0,0,1]=3 2852 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [1,1,0,0,0,0|0,0,1]=3 2853 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [1,1,0,0,0,0|1,0,1]=4 2854 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [1,1,0,0,0,0|1,0,1]=4 2855 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [1,1,0,0,0,0|0,0,1]=3 2856 B7R0.4 CCCCCB(O)O MCULE-3441747739 [1,1,0,0,0,0|1,0,1]=4 2857 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [1,1,0,0,0,0|2,0,0]=4 2858 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [1,1,0,0,0,0|2,0,0]=4 2859 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [1,1,0,0,0,0|1,0,0]=3 2860 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [1,1,0,0,0,0|1,0,0]=3 2861 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [1,1,0,0,0,0|1,0,0]=3 2862 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [1,1,0,0,0,0|0,0,0]=2 2863 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [1,1,0,0,0,0|0,0,1]=3 2864 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [1,1,0,0,0,0|0,0,1]=3 2865 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [1,1,0,0,0,0|1,1,0]=4 2866 B7R0.4 CCCCCC(C)O MCULE-2463855771 [1,1,0,0,0,0|1,0,1]=4 2867 B7R0.4 CCCCCN(=O)=O MCULE-6853489453 [1,1,0,0,0,0|1,0,1]=4 2868 B7R0.4 CCCCC[C@@H](C)O MCULE-1984852239 [1,1,0,0,0,0|1,0,1]=4 2869 B7R0.4 CCCCC[C@@H](C)O MCULE-2769933740 [1,1,0,0,0,0|1,0,1]=4 2870 B7R0.4 CCCCC[C@H](C)O MCULE-2305379902 [1,1,0,0,0,0|1,0,1]=4 2871 B7R0.4 CCCCC[C@H](C)O MCULE-5898721044 [1,1,0,0,0,0|1,0,1]=4 2872 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [1,1,0,0,0,0|2,0,0]=4 2873 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [1,1,0,0,0,0|2,0,0]=4 2874 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [1,1,0,0,0,0|1,0,0]=3 2875 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [1,1,0,0,0,0|1,0,0]=3 2876 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [1,1,0,0,0,0|1,0,0]=3 2877 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [1,1,0,0,0,0|1,1,0]=4 2878 B7R0.4 CCCCNN(=O)=O MCULE-2055512271 [1,1,0,0,0,0|1,0,1]=4 2879 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [1,1,0,0,0,0|1,0,0]=3 2880 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [1,1,0,0,0,0|1,0,0]=3 2881 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [1,1,0,0,0,0|1,0,0]=3 2882 B7R0.4 CCCCOC(=S)[S-] MCULE-2197583773 [1,1,0,0,0,0|0,2,0]=4 2883 B7R0.4 CCCCOC(=S)[S-] MCULE-3219674247 [1,1,0,0,0,0|0,2,0]=4 2884 B7R0.4 CCCCON(=O)=O MCULE-9175662186 [1,1,0,0,0,0|1,0,1]=4 2885 B7R0.4 CCCCSC(=N)N MCULE-1202813594 [1,1,0,0,0,0|2,0,0]=4 2886 B7R0.4 CCCCSC(=N)N MCULE-6798856505 [1,1,0,0,0,0|2,0,0]=4 2887 B7R0.4 CCCCSC(=N)N MCULE-8701506154 [1,1,0,0,0,0|2,0,0]=4 2888 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [1,1,0,0,0,0|1,0,0]=3 2889 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [1,1,0,0,0,0|1,0,0]=3 2890 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [1,1,0,0,0,0|1,0,0]=3 2891 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [1,1,0,0,0,0|1,0,0]=3 2892 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [1,1,0,0,0,0|0,0,0]=2 2893 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [1,1,0,0,0,0|0,0,0]=2 2894 B7R0.4 CCCNCC(C)O MCULE-8110237473 [1,1,0,0,0,0|1,0,1]=4 2895 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [1,1,0,0,0,0|0,0,0]=2 2896 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [1,1,0,0,0,0|1,1,0]=4 2897 B7R0.4 CCCOCC(C)O MCULE-9214840563 [1,1,0,0,0,0|1,0,1]=4 2898 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [1,1,0,0,0,0|1,0,0]=3 2899 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [1,1,0,0,0,0|0,0,0]=2 2900 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [1,1,0,0,0,0|1,0,0]=3 2901 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [1,1,0,0,0,0|1,0,0]=3 2902 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [1,1,0,0,0,0|0,0,0]=2 2903 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [1,1,0,0,0,0|0,0,0]=2 2904 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [1,1,0,0,0,0|0,0,2]=4 2905 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [1,1,0,0,0,0|0,0,2]=4 2906 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [1,1,0,0,0,0|2,0,0]=4 2907 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [1,1,0,0,0,0|2,0,0]=4 2908 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [1,1,0,0,0,0|1,0,0]=3 2909 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [1,1,0,0,0,0|1,0,0]=3 2910 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [1,1,0,0,0,0|0,0,0]=2 2911 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [1,1,0,0,0,0|2,0,0]=4 2912 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [1,1,0,0,0,0|0,0,0]=2 2913 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [1,1,0,0,0,0|1,0,0]=3 2914 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [1,1,0,0,0,0|1,0,0]=3 2915 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [1,1,0,0,0,0|0,0,0]=2 2916 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [1,1,0,0,0,0|0,0,0]=2 2917 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [1,1,0,0,0,0|2,0,0]=4 2918 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [1,1,0,0,0,0|2,0,0]=4 2919 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [1,1,0,0,0,0|2,0,0]=4 2920 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [1,1,0,0,0,0|2,0,0]=4 2921 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [1,1,0,0,0,0|0,0,2]=4 2922 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [1,1,0,0,0,0|0,0,2]=4 2923 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [1,1,0,0,0,0|0,0,2]=4 2924 B7R0.4 COCCCC(=O)C MCULE-3606369396 [1,1,0,0,0,0|1,0,0]=3 2925 B7R0.4 COCCCC(=O)O MCULE-3165881573 [1,1,0,0,0,0|0,0,0]=2 2926 B7R0.4 COCCCC(=S)N MCULE-5066867181 [1,1,0,0,0,0|1,1,0]=4 2927 B7R0.4 COCCCC(C)O MCULE-4190294636 [1,1,0,0,0,0|1,0,1]=4 2928 B7R0.4 COCCNC(=O)C MCULE-2794263612 [1,1,0,0,0,0|2,0,0]=4 2929 B7R0.4 COCCNC(=O)N MCULE-1380726553 [1,1,0,0,0,0|2,0,0]=4 2930 B7R0.4 COCCOC(=O)C MCULE-3221264060 [1,1,0,0,0,0|2,0,0]=4 2931 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [1,1,0,0,0,0|2,0,0]=4 2932 B7R0.4 COCCOC(=O)N MCULE-3401505850 [1,1,0,0,0,0|2,0,0]=4 2933 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [1,1,0,0,0,0|0,0,2]=4 2934 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [1,1,0,0,0,0|0,0,0]=2 2935 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [1,1,0,0,0,0|2,0,0]=4 2936 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [1,1,0,0,0,0|2,0,0]=4 2937 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [1,1,0,0,0,0|2,0,0]=4 2938 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [1,1,0,0,0,0|1,0,0]=3 2939 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [1,1,0,0,0,0|0,0,1]=3 2940 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [1,1,0,0,0,0|1,0,1]=4 2941 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [1,1,0,0,0,0|2,0,0]=4 2942 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [1,1,0,0,0,0|2,0,0]=4 2943 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [1,1,0,0,0,0|2,0,0]=4 2944 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [1,1,0,0,0,0|1,0,0]=3 2945 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [1,1,0,0,0,0|1,0,0]=3 2946 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [1,1,0,0,0,0|1,0,0]=3 2947 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [1,1,0,0,0,0|2,0,0]=4 2948 B7R0.4 NC(=O)COCCO MCULE-3158372920 [1,1,0,0,0,0|2,0,0]=4 2949 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [1,1,0,0,0,0|2,0,0]=4 2950 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [1,1,0,0,0,0|2,0,0]=4 2951 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [1,1,0,0,0,0|1,0,0]=3 2952 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [1,1,0,0,0,0|1,0,0]=3 2953 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [1,1,0,0,0,0|0,0,0]=2 2954 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [1,1,0,0,0,0|0,0,0]=2 2955 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [1,1,0,0,0,0|0,0,0]=2 2956 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [1,1,0,0,0,0|0,0,0]=2 2957 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [1,1,0,0,0,0|2,0,0]=4 2958 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [1,1,0,0,0,0|2,0,0]=4 2959 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [1,1,0,0,0,0|2,0,0]=4 2960 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [1,1,0,0,0,0|1,0,0]=3 2961 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [1,1,0,0,0,0|1,0,0]=3 2962 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [1,1,0,0,0,0|1,0,0]=3 2963 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [1,1,0,0,0,0|1,0,0]=3 2964 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [1,1,0,0,0,0|1,0,0]=3 2965 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [1,1,0,0,0,0|1,0,0]=3 2966 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [1,1,0,0,0,0|1,0,0]=3 2967 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [1,1,0,0,0,0|1,0,0]=3 2968 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [1,1,0,0,0,0|1,0,0]=3 2969 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [1,1,0,0,0,0|1,0,0]=3 2970 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [1,1,0,0,0,0|1,0,0]=3 2971 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [1,1,0,0,0,0|2,0,0]=4 2972 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [1,1,0,0,0,0|2,0,0]=4 2973 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [1,1,0,0,0,0|2,0,0]=4 2974 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [1,1,0,0,0,0|0,0,2]=4 2975 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [1,1,0,0,0,0|0,0,2]=4 2976 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [1,1,0,0,0,0|0,0,0]=2 2977 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [1,1,0,0,0,0|0,0,0]=2 2978 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [1,1,0,0,0,0|0,0,0]=2 2979 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [1,1,0,0,0,0|0,0,0]=2 2980 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [1,1,0,0,0,0|1,0,0]=3 2981 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [1,1,0,0,0,0|1,0,0]=3 2982 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [1,1,0,0,0,0|1,0,0]=3 2983 B7R0.4 O=C(O)COCCF MCULE-9820799514 [1,1,0,0,0,0|1,0,0]=3 2984 B7R0.4 O=C(O)COCCO MCULE-8297137880 [1,1,0,0,0,0|1,0,0]=3 2985 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [1,1,0,0,0,0|1,0,0]=3 2986 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [1,1,0,0,0,0|1,0,0]=3 2987 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [1,1,0,0,0,0|0,0,1]=3 2988 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [1,1,0,0,0,0|1,0,1]=4 2989 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [1,1,0,0,0,0|0,0,1]=3 2990 B7R0.4 O=N(=O)CCCCBr MCULE-8310183286 [1,1,0,0,0,0|1,0,1]=4 2991 B7R0.4 O=N(=O)CCCCCl MCULE-9069384470 [1,1,0,0,0,0|1,0,1]=4 2992 B7R0.4 O=N(=O)CCCCO MCULE-4639070341 [1,1,0,0,0,0|1,0,1]=4 2993 B7R0.4 OB(O)CCCCBr MCULE-3231135677 [1,1,0,0,0,0|1,0,1]=4 2994 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [1,1,0,0,0,0|0,0,2]=4 2995 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [1,1,0,0,0,0|1,0,1]=4 2996 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [1,1,0,0,0,0|1,0,1]=4 2997 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [1,1,0,0,0,0|0,0,1]=3 2998 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [1,1,0,0,0,0|2,0,0]=4 2999 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [1,1,0,0,0,0|2,0,0]=4 3000 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [1,1,0,0,0,0|2,0,0]=4 3001 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [1,1,0,0,0,0|2,0,0]=4 3002 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [1,1,0,0,0,0|1,0,1]=4 3003 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [1,1,0,0,0,0|0,0,2]=4 3004 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [1,1,0,0,0,0|0,0,2]=4 3005 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [1,1,0,0,0,0|1,0,1]=4 3006 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [1,1,0,0,0,0|1,0,1]=4 3007 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [1,1,0,0,0,0|0,0,1]=3 3008 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [1,1,0,0,0,0|0,0,2]=4 3009 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [1,1,0,0,0,0|1,0,0]=3 3010 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [1,1,0,0,0,0|2,0,0]=4 3011 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [1,1,0,0,0,0|2,0,0]=4 3012 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [1,1,0,0,0,0|2,0,0]=4 3013 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [1,1,0,0,0,0|2,0,0]=4 3014 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [1,1,0,0,0,0|2,0,0]=4 3015 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [1,1,0,0,0,0|2,0,0]=4 3016 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [1,1,0,0,0,0|2,0,0]=4 3017 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [1,1,0,0,0,0|1,0,1]=4 3018 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [1,1,0,0,0,0|2,0,0]=4 3019 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [1,1,0,0,0,0|1,0,1]=4 3020 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [1,1,0,0,0,0|2,0,0]=4 3021 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [1,1,0,0,0,0|2,0,0]=4 3022 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [1,1,0,0,0,0|1,0,1]=4 3023 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [1,1,0,0,0,0|1,0,1]=4 3024 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [1,1,0,0,0,0|0,0,2]=4 3025 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [1,1,0,0,0,0|0,0,2]=4 3026 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [1,1,0,0,0,0|0,0,2]=4 3027 B7R0.6 CC(C)CCB(O)O MCULE-7387060292 [1,1,0,0,0,0|1,0,1]=4 3028 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [1,1,0,0,0,0|2,0,0]=4 3029 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [1,1,0,0,0,0|2,0,0]=4 3030 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [1,1,0,0,0,0|1,0,0]=3 3031 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [1,1,0,0,0,0|1,0,0]=3 3032 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [1,1,0,0,0,0|0,0,0]=2 3033 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [1,1,0,0,0,0|1,1,0]=4 3034 B7R0.6 CC(C)CCC(C)O MCULE-6292509345 [1,1,0,0,0,0|1,0,1]=4 3035 B7R0.6 CC(C)CCN(=O)=O MCULE-1596287630 [1,1,0,0,0,0|1,0,1]=4 3036 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [1,1,0,0,0,0|2,0,0]=4 3037 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [1,1,0,0,0,0|2,0,0]=4 3038 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [1,1,0,0,0,0|2,0,0]=4 3039 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [1,1,0,0,0,0|2,0,0]=4 3040 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [1,1,0,0,0,0|2,0,0]=4 3041 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [1,1,0,0,0,0|2,0,0]=4 3042 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [1,1,0,0,0,0|1,0,0]=3 3043 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [1,1,0,0,0,0|1,0,0]=3 3044 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [1,1,0,0,0,0|2,0,0]=4 3045 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [1,1,0,0,0,0|1,0,0]=3 3046 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [1,1,0,0,0,0|1,0,0]=3 3047 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [1,1,0,0,0,0|1,0,0]=3 3048 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [1,1,0,0,0,0|0,0,0]=2 3049 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [1,1,0,0,0,0|0,0,0]=2 3050 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [1,1,0,0,0,0|2,0,0]=4 3051 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [1,1,0,0,0,0|2,0,0]=4 3052 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [1,1,0,0,0,0|0,0,0]=2 3053 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [1,1,0,0,0,0|0,0,1]=3 3054 B7R0.6 CC(O)CCC(C)O MCULE-6170497684 [1,1,0,0,0,0|1,0,1]=4 3055 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [1,1,0,0,0,0|0,0,0]=2 3056 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [1,1,0,0,0,0|1,0,0]=3 3057 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [1,1,0,0,0,0|1,0,0]=3 3058 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [1,1,0,0,0,0|1,0,0]=3 3059 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [1,1,0,0,0,0|0,0,0]=2 3060 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [1,1,0,0,0,0|0,0,0]=2 3061 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [1,1,0,0,0,0|0,0,0]=2 3062 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [1,1,0,0,0,0|0,0,0]=2 3063 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-3982464496 [1,1,0,0,0,0|1,0,1]=4 3064 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-6083261012 [1,1,0,0,0,0|1,0,1]=4 3065 B7R0.6 C[C@@H](O)CC[C@@H](C)O MCULE-8142548171 [1,1,0,0,0,0|1,0,1]=4 3066 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [1,1,0,0,0,0|1,0,0]=3 3067 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [1,1,0,0,0,0|0,0,0]=2 3068 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [1,1,0,0,0,0|0,0,0]=2 3069 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-5867971604 [1,1,0,0,0,0|1,0,1]=4 3070 B7R0.6 C[C@H](O)CC[C@H](C)O MCULE-7024859164 [1,1,0,0,0,0|1,0,1]=4 3071 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [1,1,0,0,0,0|1,0,0]=3 3072 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [1,1,0,0,0,0|1,0,0]=3 3073 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [1,1,0,0,0,0|1,0,1]=4 3074 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [1,1,0,0,0,0|1,0,1]=4 3075 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [1,1,0,0,0,0|2,0,0]=4 3076 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [1,1,0,0,0,0|1,0,1]=4 3077 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [1,1,0,0,0,0|1,0,1]=4 3078 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [1,1,0,0,0,0|1,0,0]=3 3079 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [1,1,0,0,0,0|2,0,0]=4 3080 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [1,1,0,0,0,0|2,0,0]=4 3081 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [1,1,0,0,0,0|2,0,0]=4 3082 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [1,1,0,0,0,0|1,0,1]=4 3083 B7R0.8 CCCCC(C)(C)O MCULE-6518378731 [1,1,0,0,0,0|1,0,1]=4 3084 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [1,1,0,0,0,0|1,0,0]=3 3085 B7R0.8 CCCCS(=O)(=O)Cl MCULE-8979625112 [1,1,0,0,0,0|1,0,1]=4 3086 B7R0.8 CCCCS(=O)(=O)F MCULE-6322697475 [1,1,0,0,0,0|1,0,1]=4 3087 B7R0.8 CCCCS(=O)(=O)N MCULE-2248674497 [1,1,0,0,0,0|1,0,1]=4 3088 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [1,1,0,0,0,0|1,0,0]=3 3089 B7R0.8 CCCCS(=O)(=O)[O-] MCULE-9859570424 [1,1,0,0,0,0|1,0,1]=4 3090 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [1,1,0,0,0,0|2,0,0]=4 3091 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [1,1,0,0,0,0|2,0,0]=4 3092 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [1,1,0,0,0,0|2,0,0]=4 3093 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [1,1,0,0,0,0|2,0,0]=4 3094 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [1,1,0,0,0,0|2,0,0]=4 3095 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [1,1,0,0,0,0|2,0,0]=4 3096 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [1,1,0,0,0,0|2,0,0]=4 3097 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [1,1,0,0,0,0|2,0,0]=4 3098 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [1,1,0,0,0,0|2,0,0]=4 3099 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [1,1,0,0,0,0|2,0,0]=4 3100 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [1,1,0,0,0,0|2,0,0]=4 3101 B7R0.13 C#CC(C)(C)C(=O)O MCULE-4971472343 [0,1,0,0,1,0|0,0,2]=4 3102 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [0,1,0,0,1,0|0,0,2]=4 3103 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,1,0,0,1,0|0,0,2]=4 3104 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,1,0,0,1,0|0,0,2]=4 3105 B7R0.13 CC(=O)C(C)(C)CO MCULE-7885820738 [0,1,0,0,1,0|2,0,0]=4 3106 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [0,1,0,0,1,0|1,0,0]=3 3107 B7R0.13 CC(C)(C#N)C(=O)O MCULE-8297007076 [0,1,0,0,1,0|1,0,1]=4 3108 B7R0.13 CC(C)(CBr)C(=O)Cl MCULE-2173837084 [0,1,0,0,1,0|2,0,0]=4 3109 B7R0.13 CC(C)(CBr)C(=O)F MCULE-3596602192 [0,1,0,0,1,0|2,0,0]=4 3110 B7R0.13 CC(C)(CBr)C(=O)N MCULE-5685972374 [0,1,0,0,1,0|2,0,0]=4 3111 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [0,1,0,0,1,0|1,0,0]=3 3112 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [0,1,0,0,1,0|1,0,0]=3 3113 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [0,1,0,0,1,0|1,0,0]=3 3114 B7R0.13 CC(C)(CN)C(=O)N MCULE-6885361465 [0,1,0,0,1,0|2,0,0]=4 3115 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,1,0,0,1,0|1,0,0]=3 3116 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,1,0,0,1,0|1,0,0]=3 3117 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,1,0,0,1,0|1,0,0]=3 3118 B7R0.13 CC(C)(ON)C(=O)O MCULE-3628409953 [0,1,0,0,1,0|2,0,0]=4 3119 B7R0.13 CC(C)(ON)C(=O)O MCULE-4840137554 [0,1,0,0,1,0|2,0,0]=4 3120 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [0,1,0,0,1,0|1,0,0]=3 3121 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,1,0,0,1,0|1,0,0]=3 3122 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,1,0,0,1,0|1,0,0]=3 3123 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,1,0,0,1,0|1,0,0]=3 3124 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,1,0,0,1,0|1,0,0]=3 3125 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,1,0,0,1,0|1,0,0]=3 3126 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,1,0,0,1,0|1,0,0]=3 3127 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,1,0,0,1,0|1,0,0]=3 3128 B7R0.13 CCC(C)(Br)B(O)O MCULE-2332813193 [0,1,0,0,1,0|1,0,1]=4 3129 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [0,1,0,0,1,0|1,0,0]=3 3130 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,1,0,0,1,0|0,0,0]=2 3131 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [0,1,0,0,1,0|1,0,0]=3 3132 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [0,1,0,0,1,0|1,0,0]=3 3133 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,1,0,0,1,0|0,0,0]=2 3134 B7R0.13 CCC(C)(C)S(=O)N MCULE-1907765063 [0,1,0,0,1,0|2,0,0]=4 3135 B7R0.13 CCC(C)(C)[S@@](=O)N MCULE-2523817278 [0,1,0,0,1,0|2,0,0]=4 3136 B7R0.13 CCC(C)(C)[S@@](=O)N MCULE-5923909544 [0,1,0,0,1,0|2,0,0]=4 3137 B7R0.13 CCC(C)(C)[S@](=O)N MCULE-9246547080 [0,1,0,0,1,0|2,0,0]=4 3138 B7R0.13 CCC(C)(C)[S@](=O)N MCULE-9419544831 [0,1,0,0,1,0|2,0,0]=4 3139 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,1,0,0,1,0|1,0,0]=3 3140 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,1,0,0,1,0|0,0,0]=2 3141 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,1,0,0,1,0|0,0,0]=2 3142 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,1,0,0,1,0|0,0,0]=2 3143 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [0,1,0,0,1,0|1,0,0]=3 3144 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [0,1,0,0,1,0|1,0,0]=3 3145 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,1,0,0,1,0|1,0,0]=3 3146 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,1,0,0,1,0|0,0,0]=2 3147 B7R0.13 CCC(C)(O)C(C)O MCULE-5475978311 [0,1,0,0,1,0|1,0,1]=4 3148 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,1,0,0,1,0|1,0,0]=3 3149 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,1,0,0,1,0|1,0,0]=3 3150 B7R0.13 CCC(F)(F)C(=O)[O-] MCULE-3572838764 [0,1,0,0,1,0|1,0,1]=4 3151 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,1,0,0,1,0|0,0,0]=2 3152 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,1,0,0,1,0|0,0,0]=2 3153 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,1,0,0,1,0|0,0,0]=2 3154 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,1,0,0,1,0|0,0,0]=2 3155 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,1,0,0,1,0|0,0,0]=2 3156 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,1,0,0,1,0|0,0,0]=2 3157 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,1,0,0,1,0|0,0,0]=2 3158 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,1,0,0,1,0|0,0,0]=2 3159 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,1,0,0,1,0|0,0,0]=2 3160 B7R0.13 CNC(C)(C)C(=O)N MCULE-6402593977 [0,1,0,0,1,0|2,0,0]=4 3161 B7R0.13 CNC(C)(C)C(=O)N MCULE-9381926111 [0,1,0,0,1,0|2,0,0]=4 3162 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [0,1,0,0,1,0|1,0,0]=3 3163 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [0,1,0,0,1,0|1,0,0]=3 3164 B7R0.13 COC(C)(C)C(=O)C MCULE-2989232242 [0,1,0,0,1,0|2,0,0]=4 3165 B7R0.13 COC(C)(C)C(=O)N MCULE-4305162688 [0,1,0,0,1,0|2,0,0]=4 3166 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [0,1,0,0,1,0|1,0,0]=3 3167 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [0,1,0,0,1,0|1,0,0]=3 3168 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,1,0,0,1,0|1,0,0]=3 3169 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,1,0,0,1,0|1,0,0]=3 3170 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,1,0,0,1,0|1,0,0]=3 3171 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,1,0,0,1,0|1,0,0]=3 3172 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,1,0,0,1,0|1,0,0]=3 3173 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,1,0,0,1,0|1,0,0]=3 3174 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,1,0,0,1,0|1,0,0]=3 3175 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,1,0,0,1,0|1,0,0]=3 3176 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,1,0,0,1,0|1,0,0]=3 3177 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,1,0,0,1,0|1,0,0]=3 3178 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,1,0,0,1,0|1,0,0]=3 3179 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,1,0,0,1,0|1,0,0]=3 3180 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,1,0,0,1,0|1,0,0]=3 3181 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,1,0,0,1,0|1,0,0]=3 3182 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,1,0,0,1,0|1,0,0]=3 3183 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,1,0,0,1,0|1,0,0]=3 3184 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,1,0,0,1,0|2,0,0]=4 3185 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,1,0,0,1,0|2,0,0]=4 3186 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [0,1,0,0,1,0|2,0,0]=4 3187 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,1,0,0,1,0|2,0,0]=4 3188 B7R0.14 CCC(C)S(=N)(=O)C MCULE-7078981450 [0,1,0,0,1,0|2,0,0]=4 3189 B7R0.14 CCC(C)S(=O)(=O)Cl MCULE-2920227730 [0,1,0,0,1,0|1,0,1]=4 3190 B7R0.14 CCC(C)S(=O)(=O)N MCULE-1411854215 [0,1,0,0,1,0|1,0,1]=4 3191 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [0,1,0,0,1,0|1,0,0]=3 3192 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,1,0,0,1,0|2,0,0]=4 3193 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,1,0,0,1,0|2,0,0]=4 3194 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,1,0,0,1,0|0,0,2]=4 3195 B7R0.15 C=C(C)C(CC)CC MCULE-2424136176 [0,1,0,0,1,0|2,0,0]=4 3196 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,1,0,0,1,0|2,0,0]=4 3197 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,1,0,0,1,0|0,0,1]=3 3198 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,1,0,0,1,0|0,0,1]=3 3199 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [0,1,0,0,1,0|1,0,0]=3 3200 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [0,1,0,0,1,0|1,0,0]=3 3201 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,1,0,0,1,0|1,0,0]=3 3202 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,1,0,0,1,0|0,0,0]=2 3203 B7R0.15 CCC(CC)C(=S)N MCULE-8027076934 [0,1,0,0,1,0|1,1,0]=4 3204 B7R0.15 CCC(CC)C(C)O MCULE-9742014522 [0,1,0,0,1,0|1,0,1]=4 3205 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,1,0,0,1,0|0,0,0]=2 3206 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,1,0,0,1,0|0,0,0]=2 3207 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,1,0,0,1,0|0,0,0]=2 3208 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,1,0,0,1,0|0,0,1]=3 3209 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,1,0,0,1,0|1,0,0]=3 3210 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,1,0,0,1,0|1,0,0]=3 3211 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,1,0,0,1,0|0,0,0]=2 3212 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,1,0,0,1,0|0,0,0]=2 3213 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,1,0,0,1,0|1,0,0]=3 3214 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,1,0,0,1,0|1,0,0]=3 3215 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,1,0,0,1,0|1,0,0]=3 3216 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,1,0,0,1,0|0,0,0]=2 3217 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,1,0,0,1,0|0,0,0]=2 3218 B7R0.15 CCN(CC)C(=O)C MCULE-6584128098 [0,1,0,0,1,0|2,0,0]=4 3219 B7R0.15 CCN(CC)C(=O)Cl MCULE-2162985195 [0,1,0,0,1,0|2,0,0]=4 3220 B7R0.15 CCN(CC)C(=O)N MCULE-7011051295 [0,1,0,0,1,0|2,0,0]=4 3221 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,1,0,0,1,0|0,0,0]=2 3222 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,1,0,0,1,0|0,0,0]=2 3223 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,1,0,0,1,0|0,0,0]=2 3224 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,1,0,0,1,0|0,0,0]=2 3225 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,1,0,0,1,0|0,0,0]=2 3226 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,1,0,0,1,0|0,0,0]=2 3227 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,1,0,0,1,0|1,0,0]=3 3228 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,1,0,0,1,0|1,0,0]=3 3229 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,1,0,0,1,0|1,0,0]=3 3230 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,1,0,0,1,0|1,0,0]=3 3231 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,1,0,0,1,0|2,0,0]=4 3232 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,1,0,0,1,0|1,0,0]=3 3233 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,1,0,0,1,0|1,0,0]=3 3234 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,1,0,0,1,0|1,0,0]=3 3235 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,1,0,0,1,0|1,0,0]=3 3236 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,1,0,0,1,0|1,0,0]=3 3237 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,1,0,0,1,0|1,0,0]=3 3238 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,1,0,0,1,0|1,0,0]=3 3239 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,1,0,0,1,0|1,0,0]=3 3240 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,1,0,0,1,0|1,0,0]=3 3241 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,1,0,0,1,0|1,0,0]=3 3242 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,1,0,0,1,0|1,0,0]=3 3243 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,1,0,0,1,0|1,0,0]=3 3244 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,1,0,0,1,0|1,0,0]=3 3245 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,1,0,0,1,0|1,0,0]=3 3246 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,1,0,0,1,0|1,0,0]=3 3247 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,1,0,0,1,0|2,0,0]=4 3248 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,1,0,0,1,0|1,0,0]=3 3249 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,1,0,0,1,0|1,0,0]=3 3250 B7R0.15 COC(OC)C(=O)C MCULE-9746788369 [0,1,0,0,1,0|2,0,0]=4 3251 B7R0.15 COC(OC)C(=O)N MCULE-2624682764 [0,1,0,0,1,0|2,0,0]=4 3252 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,1,0,0,1,0|1,0,0]=3 3253 B7R0.15 COC(OC)C(=O)[O-] MCULE-5345464135 [0,1,0,0,1,0|1,0,1]=4 3254 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,1,0,0,1,0|1,0,0]=3 3255 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,1,0,0,1,0|1,0,0]=3 3256 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,1,0,0,1,0|1,0,1]=4 3257 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,1,0,0,1,0|1,0,0]=3 3258 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,1,0,0,1,0|1,0,0]=3 3259 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,1,0,0,1,0|1,0,0]=3 3260 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,1,0,0,1,0|1,0,0]=3 3261 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,1,0,0,1,0|1,0,0]=3 3262 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,1,0,0,1,0|1,0,0]=3 3263 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,1,0,0,1,0|1,0,0]=3 3264 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,1,0,0,1,0|2,0,0]=4 3265 B9R0.7 CC(=O)C(C)CCC(=O)O MCULE-9124111940 [0,1,0,0,0,1|0,0,1]=3 3266 B9R0.7 CC(=O)C(C)CCC(=O)[O-] MCULE-8051941482 [0,1,0,0,0,1|0,0,2]=4 3267 B9R0.7 CC(=O)N(C)CCC(=O)O MCULE-3939402773 [0,1,0,0,0,1|1,0,1]=4 3268 B9R0.7 CC(C)C(=O)CCC(=O)O MCULE-9072643820 [0,1,0,0,0,1|1,0,1]=4 3269 B9R0.7 CC(C)C(=O)NCC(=O)O MCULE-8263786936 [0,1,0,0,0,1|1,0,1]=4 3270 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-1211739557 [0,1,0,0,0,1|1,0,0]=3 3271 B9R0.7 CC(C)N(C)CCC(=O)O MCULE-7992959591 [0,1,0,0,0,1|1,0,0]=3 3272 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1523371907 [0,1,0,0,0,1|1,0,1]=4 3273 B9R0.7 CC(CCC(=O)O)C(=O)O MCULE-1939523418 [0,1,0,0,0,1|1,0,1]=4 3274 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-5148332124 [0,1,0,0,0,1|1,0,0]=3 3275 B9R0.7 CC(CCC(=O)O)N(C)C MCULE-6459126538 [0,1,0,0,0,1|1,0,0]=3 3276 B9R0.7 CC(Cl)C(=O)NCC(=O)O MCULE-9908034208 [0,1,0,0,0,1|1,0,1]=4 3277 B9R0.7 CC(N)C(=O)NCC(=O)O MCULE-5334499783 [0,1,0,0,0,1|1,0,1]=4 3278 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-1111290878 [0,1,0,0,0,1|1,0,1]=4 3279 B9R0.7 CC(NCC(=O)O)C(=O)O MCULE-6569987660 [0,1,0,0,0,1|1,0,1]=4 3280 B9R0.7 CC(S)C(=O)NCC(=O)O MCULE-8593628629 [0,1,0,0,0,1|1,0,1]=4 3281 B9R0.7 CC(SCC(=O)O)C(=O)O MCULE-8523268796 [0,1,0,0,0,1|1,0,1]=4 3282 B9R0.7 C[C@@H](CCC(=O)O)C(=O)O MCULE-7515023265 [0,1,0,0,0,1|1,0,1]=4 3283 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-1572586456 [0,1,0,0,0,1|1,0,1]=4 3284 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-2334963197 [0,1,0,0,0,1|1,0,1]=4 3285 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-3041567092 [0,1,0,0,0,1|1,0,1]=4 3286 B9R0.7 C[C@@H](N)C(=O)NCC(=O)O MCULE-5810433569 [0,1,0,0,0,1|1,0,1]=4 3287 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-8441860655 [0,1,0,0,0,1|1,0,1]=4 3288 B9R0.7 C[C@H](CCC(=O)O)C(=O)O MCULE-9071150671 [0,1,0,0,0,1|1,0,1]=4 3289 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-1231323853 [0,1,0,0,0,1|1,0,1]=4 3290 B9R0.7 C[C@H](N)C(=O)NCC(=O)O MCULE-6793382418 [0,1,0,0,0,1|1,0,1]=4 3291 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-1511229567 [0,1,0,0,0,1|1,0,1]=4 3292 B9R0.7 C[C@H](NCC(=O)O)C(=O)O MCULE-4530562082 [0,1,0,0,0,1|1,0,1]=4 3293 B9R0.7 C[C@H](S)C(=O)NCC(=O)O MCULE-3909668002 [0,1,0,0,0,1|1,0,1]=4 3294 B9R0.7 N[C@@H](CCC(=O)O)C(O)O MCULE-4882070910 [0,1,0,0,0,1|2,0,0]=4 3295 B9R0.21 CC[C@H](C)COS(=O)(=O)C MCULE-9388768058 [0,1,0,0,0,1|1,0,1]=4 3296 B9R0.23 CCC(=O)N(C)CC(=O)O MCULE-1259899510 [0,1,0,0,0,1|1,0,1]=4 3297 B9R0.23 CCC(C)C(=N)CC(=O)C MCULE-9690278340 [0,1,0,0,0,1|1,0,0]=3 3298 B9R0.23 CCC(C)C(=O)CC(=O)C MCULE-8072360859 [0,1,0,0,0,1|1,0,0]=3 3299 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-4327977098 [0,1,0,0,0,1|0,0,0]=2 3300 B9R0.23 CCC(C)C(N)CC(=O)O MCULE-9731178196 [0,1,0,0,0,1|0,0,0]=2 3301 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-8864839000 [0,1,0,0,0,1|1,0,0]=3 3302 B9R0.23 CCN(C)C(C)CC(=O)O MCULE-9691138087 [0,1,0,0,0,1|1,0,0]=3 3303 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-3497593262 [0,1,0,0,0,1|0,0,0]=2 3304 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-4155901879 [0,1,0,0,0,1|0,0,0]=2 3305 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-8221314475 [0,1,0,0,0,1|0,0,0]=2 3306 B9R0.23 CC[C@@H](C)[C@H](N)CC(=O)O MCULE-9196761404 [0,1,0,0,0,1|0,0,0]=2 3307 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-2430009158 [0,1,0,0,0,1|0,0,0]=2 3308 B9R0.23 CC[C@H](C)[C@@H](N)CC(=O)O MCULE-9647386489 [0,1,0,0,0,1|0,0,0]=2 3309 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-2618743733 [0,1,0,0,0,1|0,0,0]=2 3310 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-5773439736 [0,1,0,0,0,1|0,0,0]=2 3311 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-6590436922 [0,1,0,0,0,1|0,0,0]=2 3312 B9R0.23 CC[C@H](C)[C@H](N)CC(=O)O MCULE-9722049324 [0,1,0,0,0,1|0,0,0]=2 3313 B9R0.23 O=C(O)C[C@@H](O)[C@@H](O)CO MCULE-5394522095 [0,1,0,0,0,1|2,0,0]=4 3314 B9R0.23 O=C(O)C[C@H](O)[C@H](O)CO MCULE-2704229472 [0,1,0,0,0,1|2,0,0]=4 3315 B9R0.24 CCC(=O)CCC(=O)OC MCULE-9090609782 [0,1,0,0,0,1|1,0,1]=4 3316 B9R0.24 CCC(C)C#CC(=O)OC MCULE-5356018366 [0,1,0,0,0,1|0,0,1]=3 3317 B9R0.24 CCC(C)CCC(C)CO MCULE-2874782306 [0,1,0,0,0,1|1,0,1]=4 3318 B9R0.24 CCC(C)NCC(=O)OC MCULE-5997453349 [0,1,0,0,0,1|0,0,0]=2 3319 B9R0.24 CCC(C)SCC(=O)OC MCULE-7927875176 [0,1,0,0,0,1|0,0,0]=2 3320 B9R0.24 CCC(N)CCC(=O)OC MCULE-8096200173 [0,1,0,0,0,1|1,0,0]=3 3321 B9R0.24 CCC(N)CCC(=O)OC MCULE-9735533305 [0,1,0,0,0,1|1,0,0]=3 3322 B9R0.24 CCC(O)C#CC(=O)OC MCULE-8230920349 [0,1,0,0,0,1|1,0,1]=4 3323 B9R0.24 CCC(O)CCC(=O)NN MCULE-1166870258 [0,1,0,0,0,1|2,0,0]=4 3324 B9R0.42 CC(CO)CC(N)C(=O)O MCULE-1659842949 [0,1,0,0,0,1|1,0,0]=3 3325 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-7167843152 [0,1,0,0,0,1|1,0,1]=4 3326 B9R0.42 CCC(=O)CC(N)C(=O)O MCULE-9225518491 [0,1,0,0,0,1|1,0,1]=4 3327 B9R0.42 CCC(=O)NC(C)C(=O)O MCULE-5488194337 [0,1,0,0,0,1|1,0,1]=4 3328 B9R0.42 CCC(=O)N[C@@H](C)C(=O)O MCULE-5552061501 [0,1,0,0,0,1|1,0,1]=4 3329 B9R0.42 CCC(C)CC(C)C(=O)O MCULE-6856405301 [0,1,0,0,0,1|0,0,0]=2 3330 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-1321158720 [0,1,0,0,0,1|0,0,0]=2 3331 B9R0.42 CCC(C)CC(N)C(=O)O MCULE-9833457318 [0,1,0,0,0,1|0,0,0]=2 3332 B9R0.42 CCC(C)NC(=O)C(=O)O MCULE-6488437367 [0,1,0,0,0,1|0,0,1]=3 3333 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-6094320295 [0,1,0,0,0,1|1,0,0]=3 3334 B9R0.42 CCN(C)CC(C)C(=O)O MCULE-8043640135 [0,1,0,0,0,1|1,0,0]=3 3335 B9R0.43 C=C(C)CCC(CC)CC MCULE-8102897212 [0,1,0,0,0,1|2,0,0]=4 3336 B9R0.43 CC(=O)SCC(CN)CN MCULE-4601063498 [0,1,0,0,0,1|2,0,0]=4 3337 B9R0.43 CC(=O)SCC(CN)CN MCULE-7349435143 [0,1,0,0,0,1|2,0,0]=4 3338 B9R0.43 CCC(CC)CCC(=O)O MCULE-3619246107 [0,1,0,0,0,1|0,0,0]=2 3339 B9R0.43 CCC(CC)CCC(C)O MCULE-8617358020 [0,1,0,0,0,1|1,0,1]=4 3340 B9R0.43 CCC(CC)COC(=O)C MCULE-4514204921 [0,1,0,0,0,1|1,0,0]=3 3341 B9R0.43 CCC(CC)COC(=O)Cl MCULE-6063084653 [0,1,0,0,0,1|1,0,0]=3 3342 B9R0.43 CCC(CC)OCC(=O)O MCULE-1363431600 [0,1,0,0,0,1|0,0,0]=2 3343 B9R0.43 CCC(CO)CCC(=O)C MCULE-7352596779 [0,1,0,0,0,1|1,0,0]=3 3344 B9R0.43 CCC(CO)CCC(C)O MCULE-3799427279 [0,1,0,0,0,1|1,0,1]=4 3345 B9R0.43 CCC(COC(=O)C)OC MCULE-7626279147 [0,1,0,0,0,1|1,0,0]=3 3346 B9R0.43 CCN(CC)CCC(=O)C MCULE-9384286876 [0,1,0,0,0,1|2,0,0]=4 3347 B9R0.43 CCN(CC)CCC(=O)N MCULE-3761363591 [0,1,0,0,0,1|2,0,0]=4 3348 B9R0.43 CCN(CC)CCC(=O)O MCULE-3198217857 [0,1,0,0,0,1|1,0,0]=3 3349 B9R0.43 CCN(CC)CCC(=O)O MCULE-7749215074 [0,1,0,0,0,1|1,0,0]=3 3350 B9R0.43 COC(/C=C/C(=O)O)OC MCULE-9922370689 [0,1,0,0,0,1|1,0,1]=4 3351 B9R0.43 COC(CNC(=O)C)OC MCULE-6424703856 [0,1,0,0,0,1|2,0,0]=4 3352 B9R0.43 COC(CNC(=O)N)OC MCULE-9784464974 [0,1,0,0,0,1|2,0,0]=4 3353 B9R0.48 C=C(C)CCC(C)CCC MCULE-7509184096 [0,1,0,0,0,1|2,0,0]=4 3354 B9R0.48 CCCC(=O)CCC(=O)O MCULE-4809633073 [0,1,0,0,0,1|1,0,1]=4 3355 B9R0.48 CCCC(=O)NCC(=O)O MCULE-1331310812 [0,1,0,0,0,1|1,0,1]=4 3356 B9R0.48 CCCC(C)CCC(=O)C MCULE-1446034135 [0,1,0,0,0,1|1,0,0]=3 3357 B9R0.48 CCCC(C)CCC(=O)O MCULE-2307170636 [0,1,0,0,0,1|0,0,0]=2 3358 B9R0.48 CCCC(C)COC(=O)C MCULE-3322580373 [0,1,0,0,0,1|1,0,0]=3 3359 B9R0.48 CCCC(C)COC(=O)Cl MCULE-1504594923 [0,1,0,0,0,1|1,0,0]=3 3360 B9R0.48 CCCC(Cl)CCC(=O)Cl MCULE-1887322362 [0,1,0,0,0,1|2,0,0]=4 3361 B9R0.48 CCCC(N)CCC(=O)O MCULE-2596842997 [0,1,0,0,0,1|1,0,0]=3 3362 B9R0.48 CCCC(N)CCC(=O)O MCULE-4723059719 [0,1,0,0,0,1|1,0,0]=3 3363 B9R0.48 CCCN(C)CCC(=O)O MCULE-4436694860 [0,1,0,0,0,1|1,0,0]=3 3364 B9R0.48 CCCN(C)CCC(=O)O MCULE-5636730093 [0,1,0,0,0,1|1,0,0]=3 3365 B9R0.48 CCNC(=O)CCC(=O)O MCULE-1979773964 [0,1,0,0,0,1|1,0,1]=4 3366 B9R0.48 CCNC(=S)NCC(=O)O MCULE-3996581742 [0,1,0,0,0,1|1,0,1]=4 3367 B9R0.48 CCOC(=O)CCC(=O)O MCULE-4329005000 [0,1,0,0,0,1|1,0,1]=4 3368 B9R0.48 CCOC(=O)NCC(=O)O MCULE-6050328577 [0,1,0,0,0,1|1,0,1]=4 3369 B9R0.48 CCOC(=S)SCC(=O)O MCULE-8546838454 [0,1,0,0,0,1|1,0,1]=4 3370 B9R0.48 CCOC(C)COC(=O)C MCULE-7641307016 [0,1,0,0,0,1|1,0,0]=3 3371 B9R0.48 CN(CCO)CCC(=O)O MCULE-1755715725 [0,1,0,0,0,1|1,0,0]=3 3372 B9R0.48 COCC(=O)NCC(=O)O MCULE-2679622476 [0,1,0,0,0,1|1,0,1]=4 3373 B9R0.48 COCC(C)NCC(=O)O MCULE-1388451631 [0,1,0,0,0,1|0,0,0]=2 3374 B9R0.48 COCC(C)NCC(=O)O MCULE-8506123448 [0,1,0,0,0,1|0,0,0]=2 3375 B9R0.48 COCC(C)OCC(C)O MCULE-1172706932 [0,1,0,0,0,1|1,0,1]=4 3376 B9R0.48 NCCC(=O)NCC(=O)O MCULE-4396558835 [0,1,0,0,0,1|1,0,1]=4 3377 B9R0.48 NCCC(=O)NCC(=O)O MCULE-9256160395 [0,1,0,0,0,1|1,0,1]=4 3378 B9R0.64 CC(C)(C#N)CCC(=O)O MCULE-9778482265 [0,1,0,0,0,1|1,0,1]=4 3379 B9R0.64 CC(C)(CO)COC(=O)N MCULE-1642548295 [0,1,0,0,0,1|2,0,0]=4 3380 B9R0.64 CCC(C)(C)OCC(=O)O MCULE-6870018986 [0,1,0,0,0,1|0,0,0]=2 3381 B9R0.64 CCS(=O)(=O)CCC(=O)O MCULE-6074163165 [0,1,0,0,0,1|2,0,0]=4 3382 B9R0.64 CCS(=O)(=O)NCC(=O)O MCULE-6269745813 [0,1,0,0,0,1|2,0,0]=4 3383 B9R0.6 CCCC(C)C(N)C(=O)O MCULE-3481285649 [0,2,0,0,0,0|0,0,0]=2 3384 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-3877102152 [0,2,0,0,0,0|2,0,0]=4 3385 B9R0.6 CCCC(N)C(O)C(=O)N MCULE-5998533545 [0,2,0,0,0,0|2,0,0]=4 3386 B9R0.6 CCCC(O)C(N)C(=O)O MCULE-5391337444 [0,2,0,0,0,0|1,0,0]=3 3387 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-1873801018 [0,2,0,0,0,0|2,0,0]=4 3388 B9R0.6 CCC[C@@H](N)C(O)C(=O)N MCULE-5086135715 [0,2,0,0,0,0|2,0,0]=4 3389 B9R0.6 CCC[C@@H](N)[C@@H](O)C(=O)O MCULE-2918610954 [0,2,0,0,0,0|1,0,0]=3 3390 B9R0.6 CCC[C@@H](N)[C@H](O)C(=O)O MCULE-1958502407 [0,2,0,0,0,0|1,0,0]=3 3391 B9R0.6 CCC[C@H](N)C(O)C(=O)O MCULE-8649182139 [0,2,0,0,0,0|1,0,0]=3 3392 B9R0.6 CCOC(=O)C(C)C(=O)O MCULE-8985852240 [0,2,0,0,0,0|1,0,1]=4 3393 B9R0.6 COCC(C)C(C)C(=O)O MCULE-8168198082 [0,2,0,0,0,0|0,0,0]=2 3394 B9R0.27 CCC(=O)C(C)C(=O)OC MCULE-2153331264 [0,2,0,0,0,0|1,0,1]=4 3395 B9R0.27 CCC(=O)C(Cl)C(=O)OC MCULE-6097382115 [0,2,0,0,0,0|1,0,1]=4 3396 B9R0.27 CCC(=O)C(F)C(=O)OC MCULE-7376153502 [0,2,0,0,0,0|1,0,1]=4 3397 B9R0.27 CCC(C)C(Cl)C(=O)OC MCULE-4549387192 [0,2,0,0,0,0|0,0,0]=2 3398 B9R0.27 CCC(C)C(N)C(=O)CCl MCULE-4483538140 [0,2,0,0,0,0|1,0,0]=3 3399 B9R0.27 CCC(C)C(N)C(=O)CCl MCULE-8837034349 [0,2,0,0,0,0|1,0,0]=3 3400 B9R0.27 CCC(C)C(N)C(=O)OC MCULE-1846968686 [0,2,0,0,0,0|0,0,0]=2 3401 B9R0.27 CCC(C)C(N)C(=O)OC MCULE-3209850544 [0,2,0,0,0,0|0,0,0]=2 3402 B9R0.27 CCC(C)C(O)C(=O)OC MCULE-8434457313 [0,2,0,0,0,0|0,0,0]=2 3403 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-5958902036 [0,2,0,0,0,0|1,0,0]=3 3404 B9R0.27 CCC(N)C(O)C(=O)OC MCULE-7272235506 [0,2,0,0,0,0|1,0,0]=3 3405 B9R0.27 CCC(O)C(C)C(=O)OC MCULE-2007143538 [0,2,0,0,0,0|1,0,0]=3 3406 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-5533680436 [0,2,0,0,0,0|0,0,0]=2 3407 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-7868747169 [0,2,0,0,0,0|0,0,0]=2 3408 B9R0.27 CC[C@@H](C)[C@H](N)C(=O)OC MCULE-9579020209 [0,2,0,0,0,0|0,0,0]=2 3409 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-1729886523 [0,2,0,0,0,0|0,0,0]=2 3410 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-2521314466 [0,2,0,0,0,0|0,0,0]=2 3411 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-5130592222 [0,2,0,0,0,0|0,0,0]=2 3412 B9R0.27 CC[C@H](C)[C@@H](N)C(=O)OC MCULE-6653217048 [0,2,0,0,0,0|0,0,0]=2 3413 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-2281100748 [0,2,0,0,0,0|1,0,0]=3 3414 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-5249500214 [0,2,0,0,0,0|1,0,0]=3 3415 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-6738846261 [0,2,0,0,0,0|1,0,0]=3 3416 B9R0.27 CC[C@H](C)[C@H](N)C(=O)CCl MCULE-9006274135 [0,2,0,0,0,0|1,0,0]=3 3417 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NC MCULE-4817137974 [0,2,0,0,0,0|1,0,0]=3 3418 B9R0.27 CC[C@H](C)[C@H](N)C(=O)NC MCULE-6810748923 [0,2,0,0,0,0|1,0,0]=3 3419 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-5150983559 [0,2,0,0,0,0|0,0,0]=2 3420 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-6620651568 [0,2,0,0,0,0|0,0,0]=2 3421 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-7115424543 [0,2,0,0,0,0|0,0,0]=2 3422 B9R0.27 CC[C@H](C)[C@H](N)C(=O)OC MCULE-9658781072 [0,2,0,0,0,0|0,0,0]=2 3423 B9R0.27 COC(=O)C(Br)C(C)OC MCULE-6549332688 [0,2,0,0,0,0|1,0,0]=3 3424 B9R0.27 COC(=O)C(Cl)C(C)OC MCULE-5732373323 [0,2,0,0,0,0|1,0,0]=3 3425 B9R0.27 COC(=O)C(O)C(C)OC MCULE-5538819656 [0,2,0,0,0,0|1,0,0]=3 3426 B9R0.27 COC(=O)[C@@H](Br)[C@H](O)CBr MCULE-2908359031 [0,2,0,0,0,0|2,0,0]=4 3427 B9R0.27 COC(=O)[C@@H](Cl)[C@@H](C)OC MCULE-1203632970 [0,2,0,0,0,0|1,0,0]=3 3428 B9R0.27 O=C(CO)C(O)C(O)CO MCULE-8935556784 [0,2,0,0,0,0|2,0,0]=4 3429 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-2725905076 [0,2,0,0,0,0|2,0,0]=4 3430 B9R0.27 O=C(CO)[C@@H](O)[C@@H](O)CO MCULE-9876605173 [0,2,0,0,0,0|2,0,0]=4 3431 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-7865729102 [0,2,0,0,0,0|2,0,0]=4 3432 B9R0.27 O=C(CO)[C@@H](O)[C@H](O)CO MCULE-9552269577 [0,2,0,0,0,0|2,0,0]=4 3433 B9R0.27 O=C(CO)[C@H](O)[C@@H](O)CO MCULE-2032052659 [0,2,0,0,0,0|2,0,0]=4 3434 B9R0.27 O=C(CO)[C@H](O)[C@H](O)CO MCULE-5136624528 [0,2,0,0,0,0|2,0,0]=4 3435 B9R0.28 CCC(C)C(F)(F)C(=O)O MCULE-8813807658 [0,2,0,0,0,0|0,0,0]=2 3436 B9R0.28 CCC(O)C(F)(F)C(=O)O MCULE-8473962124 [0,2,0,0,0,0|1,0,0]=3 3437 B9R0.28 CCN(C)C(C)(C)C(=O)O MCULE-1120650068 [0,2,0,0,0,0|1,0,0]=3 3438 B9R0.29 CCC(C(=O)O)N(C)CC MCULE-1956799237 [0,2,0,0,0,0|1,0,0]=3 3439 B9R0.29 CCC(C)C(CC)C(=O)N MCULE-4344033333 [0,2,0,0,0,0|1,0,0]=3 3440 B9R0.29 CCC(C)C(NC)C(=O)O MCULE-1957885665 [0,2,0,0,0,0|0,0,0]=2 3441 B9R0.29 CCC(C)C(OC)C(=O)O MCULE-7966384544 [0,2,0,0,0,0|0,0,0]=2 3442 B9R0.29 CC[C@@H](C)[C@H](NC)C(=O)O MCULE-8364477291 [0,2,0,0,0,0|0,0,0]=2 3443 B9R0.29 CC[C@H](C)[C@@H](CC)C(=O)N MCULE-3247505890 [0,2,0,0,0,0|1,0,0]=3 3444 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O MCULE-6136891317 [0,2,0,0,0,0|0,0,0]=2 3445 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-1871065287 [0,2,0,0,0,0|0,0,0]=2 3446 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-3891615565 [0,2,0,0,0,0|0,0,0]=2 3447 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)O MCULE-9489341112 [0,2,0,0,0,0|0,0,0]=2 3448 B9R0.29 COC(C)C(OC)C(=O)O MCULE-8500320405 [0,2,0,0,0,0|1,0,0]=3 3449 B9R0.29 [C@H](C)(CC)[C@H](NC)C(=O)O MCULE-1663789159 [0,2,0,0,0,0|0,0,0]=2 3450 B9R0.32 C=CC(C)(C)C(N)C(=O)O MCULE-2556027740 [0,2,0,0,0,0|0,0,2]=4 3451 B9R0.32 CC(C)(CN)C(O)C(=O)O MCULE-1251426662 [0,2,0,0,0,0|1,0,0]=3 3452 B9R0.32 CC(C)(CO)C(=O)C(=O)O MCULE-6046561180 [0,2,0,0,0,0|1,0,1]=4 3453 B9R0.32 CC(C)(CO)C(O)C(=O)N MCULE-2942836455 [0,2,0,0,0,0|2,0,0]=4 3454 B9R0.32 CC(C)(CO)C(O)C(=O)O MCULE-3752332762 [0,2,0,0,0,0|1,0,0]=3 3455 B9R0.32 CC(C)(CO)C(O)C(=O)[O-] MCULE-8284553290 [0,2,0,0,0,0|1,0,1]=4 3456 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)O MCULE-7418140514 [0,2,0,0,0,0|1,0,0]=3 3457 B9R0.32 CC(C)(CO)[C@@H](O)C(=O)[O-] MCULE-3131803550 [0,2,0,0,0,0|1,0,1]=4 3458 B9R0.32 CCC(C)(C)C(=O)C(=O)O MCULE-2609139055 [0,2,0,0,0,0|0,0,1]=3 3459 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-2030759346 [0,2,0,0,0,0|0,0,0]=2 3460 B9R0.32 CCC(C)(C)C(N)C(=O)O MCULE-8756866734 [0,2,0,0,0,0|0,0,0]=2 3461 B9R0.32 CCC(C)(C)C(O)C(=O)O MCULE-6783140520 [0,2,0,0,0,0|0,0,0]=2 3462 B9R0.32 CCC(C)(C)N(C)C(=O)Cl MCULE-2696642386 [0,2,0,0,0,0|2,0,0]=4 3463 B9R0.32 CCC(C)(O)C(O)C(=O)O MCULE-6322081363 [0,2,0,0,0,0|0,0,0]=2 3464 B9R0.32 CCS(=O)(=O)C(C)C(=O)O MCULE-8630070520 [0,2,0,0,0,0|2,0,0]=4 3465 B9R0.32 COC(C)(C)C(Br)C(=O)O MCULE-4686359113 [0,2,0,0,0,0|1,0,0]=3 3466 B9R0.32 COC(C)(C)C(N)C(=O)O MCULE-7291117506 [0,2,0,0,0,0|1,0,0]=3 3467 B9R0.32 COC(C)(C)[C@H](N)C(=O)O MCULE-1351027484 [0,2,0,0,0,0|1,0,0]=3 3468 B9R0.41 CCC(CC)C(C)C(=O)O MCULE-8487981910 [0,2,0,0,0,0|0,0,0]=2 3469 B9R0.41 CCC(CC)C(N)C(=O)N MCULE-1437498037 [0,2,0,0,0,0|1,0,0]=3 3470 B9R0.41 CCC(CC)C(N)C(=O)O MCULE-5833155408 [0,2,0,0,0,0|0,0,0]=2 3471 B9R0.41 CCC(CC)C(N)C(=O)O MCULE-6712053086 [0,2,0,0,0,0|0,0,0]=2 3472 B9R0.41 CCC(CC)C(O)C(=O)N MCULE-7184457381 [0,2,0,0,0,0|1,0,0]=3 3473 B9R0.41 CCC(CC)[C@@H](N)C(=O)O MCULE-2731098319 [0,2,0,0,0,0|0,0,0]=2 3474 B9R0.41 CCC(CC)[C@H](N)C(=O)O MCULE-2848963263 [0,2,0,0,0,0|0,0,0]=2 3475 B9R0.41 CCC(CC)[C@H](N)C(=O)O MCULE-7573557331 [0,2,0,0,0,0|0,0,0]=2 3476 B9R0.41 CCN(CC)C(=O)C(=O)O MCULE-9769368325 [0,2,0,0,0,0|1,0,1]=4 3477 B9R0.41 CCN(CC)C(C)C(=O)O MCULE-1799679345 [0,2,0,0,0,0|1,0,0]=3 3478 B9R0.41 COC(OC)C(C)C(=O)C MCULE-7475392468 [0,2,0,0,0,0|2,0,0]=4 3479 B9R0.79 CC(=O)C(C)C(C)C(=O)C MCULE-1642593127 [0,2,0,0,0,0|1,0,1]=4 3480 B9R0.79 CC(=O)N(C)C(C)C(=O)O MCULE-8770175961 [0,2,0,0,0,0|1,0,1]=4 3481 B9R0.79 CC(C(=O)O)C(C)C(=O)O MCULE-6112773421 [0,2,0,0,0,0|1,0,1]=4 3482 B9R0.79 CC(C(=O)O)C(N)C(=O)O MCULE-7699599383 [0,2,0,0,0,0|1,0,1]=4 3483 B9R0.79 CC(C(=O)O)C(O)C(=O)O MCULE-1644748819 [0,2,0,0,0,0|1,0,1]=4 3484 B9R0.79 CC(C(=O)O)[C@H](N)C(=O)O MCULE-1516476673 [0,2,0,0,0,0|1,0,1]=4 3485 B9R0.79 CC(C)C(O)C(N)C(=O)O MCULE-8766263714 [0,2,0,0,0,0|1,0,0]=3 3486 B9R0.79 CC(C)C(O)[C@H](N)C(=O)O MCULE-5332720895 [0,2,0,0,0,0|1,0,0]=3 3487 B9R0.79 CC(C)[C@@H](O)[C@@H](C)C(=O)O MCULE-5667397461 [0,2,0,0,0,0|1,0,0]=3 3488 B9R0.79 CC(C)[C@@H](O)[C@@H](N)C(=O)O MCULE-2425417830 [0,2,0,0,0,0|1,0,0]=3 3489 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-5438285037 [0,2,0,0,0,0|1,0,0]=3 3490 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-6278820254 [0,2,0,0,0,0|1,0,0]=3 3491 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-7542741263 [0,2,0,0,0,0|1,0,0]=3 3492 B9R0.79 CC(C)[C@@H](O)[C@H](N)C(=O)O MCULE-8101644962 [0,2,0,0,0,0|1,0,0]=3 3493 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-6429723072 [0,2,0,0,0,0|1,0,0]=3 3494 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O MCULE-8455636907 [0,2,0,0,0,0|1,0,0]=3 3495 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9657202987 [0,2,0,0,0,0|1,0,0]=3 3496 B9R0.79 CC(C)[C@H](O)[C@H](N)C(=O)O MCULE-9762128000 [0,2,0,0,0,0|1,0,0]=3 3497 B9R0.79 CC(O)C(C)C(N)C(=O)O MCULE-2897656809 [0,2,0,0,0,0|0,0,0]=2 3498 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-6535308910 [0,2,0,0,0,0|0,0,0]=2 3499 B9R0.79 CC(O)[C@H](C)[C@H](N)C(=O)O MCULE-8450789997 [0,2,0,0,0,0|0,0,0]=2 3500 B9R0.79 C[C@H](C(=O)O)[C@@H](C)C(=O)O MCULE-1961663558 [0,2,0,0,0,0|1,0,1]=4 3501 B9R0.79 C[C@H](C(=O)O)[C@@H](N)C(=O)O MCULE-1232463081 [0,2,0,0,0,0|1,0,1]=4 3502 B9R0.79 C[C@H](C(=O)O)[C@H](N)C(=O)O MCULE-3277052139 [0,2,0,0,0,0|1,0,1]=4 3503 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-1376333194 [0,2,0,0,0,0|0,0,0]=2 3504 B9R0.79 C[C@H](O)[C@H](C)[C@H](N)C(=O)O MCULE-4005119004 [0,2,0,0,0,0|0,0,0]=2 3505 B9R0.79 [C@@H](N)(C(=O)O)[C@@H](C)C(C)O MCULE-7488780154 [0,2,0,0,0,0|0,0,0]=2 3506 B9R0.4 C#CCCN(C)CC(=O)O MCULE-2368300215 [0,2,0,0,0,0|1,0,0]=3 3507 B9R0.4 C#CCCN(C)CC(=O)O MCULE-3491335280 [0,2,0,0,0,0|1,0,0]=3 3508 B9R0.4 C=CCCC(=CC(=O)O)C MCULE-7109579460 [0,2,0,0,0,0|0,0,2]=4 3509 B9R0.4 C=CCCC(N)CC(=O)O MCULE-1616151020 [0,2,0,0,0,0|1,0,0]=3 3510 B9R0.4 C=CCCC(N)CC(=O)O MCULE-6121434138 [0,2,0,0,0,0|1,0,0]=3 3511 B9R0.4 CC(CC(=O)O)NCCO MCULE-6990108869 [0,2,0,0,0,0|0,0,0]=2 3512 B9R0.4 CCCCC(C)CC(=O)O MCULE-1674327007 [0,2,0,0,0,0|0,0,0]=2 3513 B9R0.4 CCCCC(C)OC(=O)Cl MCULE-3267128498 [0,2,0,0,0,0|2,0,0]=4 3514 B9R0.4 CCCCC(N)CC(=O)O MCULE-4002800812 [0,2,0,0,0,0|1,0,0]=3 3515 B9R0.4 CCCCC(N)CC(=O)O MCULE-8705314129 [0,2,0,0,0,0|1,0,0]=3 3516 B9R0.4 CCCCC(O)CC(=O)O MCULE-6348296633 [0,2,0,0,0,0|1,0,0]=3 3517 B9R0.4 CCCC[C@@H](N)CC(=O)O MCULE-8271790861 [0,2,0,0,0,0|1,0,0]=3 3518 B9R0.4 CCCC[C@H](C)CC(=O)O MCULE-2048808547 [0,2,0,0,0,0|0,0,0]=2 3519 B9R0.4 CCCC[C@H](N)CC(=O)O MCULE-1387096023 [0,2,0,0,0,0|1,0,0]=3 3520 B9R0.4 CN(CCC#N)CC(=O)O MCULE-1515172721 [0,2,0,0,0,0|1,0,0]=3 3521 B9R0.4 COCCN(C)CC(=O)O MCULE-2440763888 [0,2,0,0,0,0|1,0,0]=3 3522 B9R0.4 COCCN(C)CC(=O)O MCULE-6319676297 [0,2,0,0,0,0|1,0,0]=3 3523 B9R0.4 CSCCC(N)CC(=O)O MCULE-1046928513 [0,2,0,0,0,0|1,0,0]=3 3524 B9R0.4 CSCCC(N)CC(=O)O MCULE-8979030814 [0,2,0,0,0,0|1,0,0]=3 3525 B9R0.4 CSCCC(O)CC(=O)O MCULE-8328222292 [0,2,0,0,0,0|1,0,0]=3 3526 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-2765615228 [0,2,0,0,0,0|1,0,0]=3 3527 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-5262188114 [0,2,0,0,0,0|1,0,0]=3 3528 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-7951099593 [0,2,0,0,0,0|1,0,0]=3 3529 B9R0.4 CSCC[C@@H](N)CC(=O)O MCULE-9117868798 [0,2,0,0,0,0|1,0,0]=3 3530 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-1875547228 [0,2,0,0,0,0|1,0,0]=3 3531 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2149586027 [0,2,0,0,0,0|1,0,0]=3 3532 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-2492945888 [0,2,0,0,0,0|1,0,0]=3 3533 B9R0.4 CSCC[C@H](N)CC(=O)O MCULE-3229832789 [0,2,0,0,0,0|1,0,0]=3 3534 B9R0.4 NCCCC(N)CC(=O)O MCULE-3705980324 [0,2,0,0,0,0|1,0,0]=3 3535 B9R0.4 NCCCC(N)CC(=O)O MCULE-5566899547 [0,2,0,0,0,0|1,0,0]=3 3536 B9R0.4 NCCC[C@@H](N)CC(=O)O MCULE-3425525065 [0,2,0,0,0,0|1,0,0]=3 3537 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-2321041121 [0,2,0,0,0,0|1,0,0]=3 3538 B9R0.4 NCCC[C@H](N)CC(=O)O MCULE-6552199637 [0,2,0,0,0,0|1,0,0]=3 3539 B9R0.4 [N-]=[N+]=NC[C@@H](N)CC(=O)O MCULE-2831741781 [0,2,0,0,0,0|2,0,0]=4 3540 B9R0.14 C=CC(CCC)CC(=O)O MCULE-7907267151 [0,2,0,0,0,0|0,0,1]=3 3541 B9R0.14 CCCC(CC)CC(=O)O MCULE-7716353443 [0,2,0,0,0,0|0,0,0]=2 3542 B9R0.14 CCCC(CC)OC(=O)C MCULE-8250494331 [0,2,0,0,0,0|2,0,0]=4 3543 B9R0.14 CCCC(CC)OC(=O)Cl MCULE-1870486997 [0,2,0,0,0,0|2,0,0]=4 3544 B9R0.34 C/C=C/C(=O)OC(C)CC MCULE-4075261572 [0,2,0,0,0,0|2,0,0]=4 3545 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9776508302 [0,2,0,0,0,0|1,0,1]=4 3546 B9R0.34 C=CC[C@@H](N)CC(=O)OC MCULE-9805416518 [0,2,0,0,0,0|1,0,1]=4 3547 B9R0.34 CC=CC(=O)OC(C)CC MCULE-8510889235 [0,2,0,0,0,0|2,0,0]=4 3548 B9R0.34 CCC(=O)OC(C)COC MCULE-8750401706 [0,2,0,0,0,0|2,0,0]=4 3549 B9R0.34 CCC(C)NC(=O)CCN MCULE-2185039427 [0,2,0,0,0,0|2,0,0]=4 3550 B9R0.34 CCC(C)NC(=O)CCN MCULE-4362201629 [0,2,0,0,0,0|2,0,0]=4 3551 B9R0.34 CCC(C)NC(=O)CNC MCULE-1236971937 [0,2,0,0,0,0|2,0,0]=4 3552 B9R0.34 CCC(C)NC(=O)CNC MCULE-5210348292 [0,2,0,0,0,0|2,0,0]=4 3553 B9R0.34 CCCC(=O)CC(=O)OC MCULE-2510974701 [0,2,0,0,0,0|1,0,1]=4 3554 B9R0.34 CCCC(=O)OC(C)CC MCULE-2445269271 [0,2,0,0,0,0|2,0,0]=4 3555 B9R0.34 CCCC(C)NC(=O)CCl MCULE-3205397083 [0,2,0,0,0,0|2,0,0]=4 3556 B9R0.34 CCCC(N)CC(=O)OC MCULE-5451525631 [0,2,0,0,0,0|1,0,0]=3 3557 B9R0.34 CCCC(N)CC(=O)OC MCULE-7351529051 [0,2,0,0,0,0|1,0,0]=3 3558 B9R0.34 CCCC(O)CC(=O)OC MCULE-5453080247 [0,2,0,0,0,0|1,0,0]=3 3559 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-1916315590 [0,2,0,0,0,0|1,0,0]=3 3560 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-6083487116 [0,2,0,0,0,0|1,0,0]=3 3561 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-7324647206 [0,2,0,0,0,0|1,0,0]=3 3562 B9R0.34 CCC[C@H](N)CC(=O)OC MCULE-8276275492 [0,2,0,0,0,0|1,0,0]=3 3563 B9R0.34 CCC[C@H](O)CC(=O)OC MCULE-6660623319 [0,2,0,0,0,0|1,0,0]=3 3564 B9R0.34 CCOC(=O)/C=C(\C)/CC MCULE-9989234580 [0,2,0,0,0,0|0,0,2]=4 3565 B9R0.34 CCOC(=O)C=C(C)CC MCULE-6939013516 [0,2,0,0,0,0|0,0,2]=4 3566 B9R0.34 CCOC(=O)CC(=O)CC MCULE-8189546247 [0,2,0,0,0,0|1,0,1]=4 3567 B9R0.34 CCOC(=O)CC(=O)CO MCULE-2594117173 [0,2,0,0,0,0|1,0,1]=4 3568 B9R0.34 CCOC(=O)CC(=O)OC MCULE-4720438339 [0,2,0,0,0,0|1,0,1]=4 3569 B9R0.34 CCOC(=O)CC(C)CC MCULE-4014035383 [0,2,0,0,0,0|0,0,0]=2 3570 B9R0.34 CCOC(=O)CC(C)NC MCULE-1705889583 [0,2,0,0,0,0|1,0,0]=3 3571 B9R0.34 CCOC(=O)CC(F)CI MCULE-8570199151 [0,2,0,0,0,0|2,0,0]=4 3572 B9R0.34 CCOC(=O)CC(N)CO MCULE-1698986423 [0,2,0,0,0,0|2,0,0]=4 3573 B9R0.34 CCOC(=O)CC(N)CO MCULE-3133814849 [0,2,0,0,0,0|2,0,0]=4 3574 B9R0.34 CCOC(=O)CC(O)CC MCULE-1917822917 [0,2,0,0,0,0|1,0,0]=3 3575 B9R0.34 CCOC(=O)CC(O)CCl MCULE-2262718063 [0,2,0,0,0,0|2,0,0]=4 3576 B9R0.34 CCOC(=O)CC(O)CCl MCULE-5360276844 [0,2,0,0,0,0|2,0,0]=4 3577 B9R0.34 CCOC(=O)CC(O)CI MCULE-6198631807 [0,2,0,0,0,0|2,0,0]=4 3578 B9R0.34 CCOC(=O)CC(O)CO MCULE-8896194093 [0,2,0,0,0,0|2,0,0]=4 3579 B9R0.34 CCOC(=O)C[C@@H](O)CBr MCULE-5715312033 [0,2,0,0,0,0|2,0,0]=4 3580 B9R0.34 CCOC(=O)C[C@@H](O)CBr MCULE-5871241096 [0,2,0,0,0,0|2,0,0]=4 3581 B9R0.34 CCOC(=O)C[C@@H](O)CCl MCULE-7631433830 [0,2,0,0,0,0|2,0,0]=4 3582 B9R0.34 CCOC(=O)C[C@@H](O)CCl MCULE-9413705440 [0,2,0,0,0,0|2,0,0]=4 3583 B9R0.34 CCOC(=O)C[C@H](O)CBr MCULE-3856953058 [0,2,0,0,0,0|2,0,0]=4 3584 B9R0.34 CCOC(=O)C[C@H](O)CBr MCULE-8467993550 [0,2,0,0,0,0|2,0,0]=4 3585 B9R0.34 CCOC(=O)C[C@H](O)CCl MCULE-2512912579 [0,2,0,0,0,0|2,0,0]=4 3586 B9R0.34 CCOC(=O)C[C@H](O)CCl MCULE-4665153523 [0,2,0,0,0,0|2,0,0]=4 3587 B9R0.34 CCOC(=O)C[C@H](O)CI MCULE-7954654327 [0,2,0,0,0,0|2,0,0]=4 3588 B9R0.34 COC(=O)CC(=O)CCO MCULE-6784952769 [0,2,0,0,0,0|1,0,1]=4 3589 B9R0.34 COC(=O)CS(=O)CCCl MCULE-2731283159 [0,2,0,0,0,0|2,0,0]=4 3590 B9R0.34 COCC(=O)CC(=O)OC MCULE-9780946808 [0,2,0,0,0,0|1,0,1]=4 3591 B9R0.34 COCC(C)NC(=O)CCl MCULE-9530666430 [0,2,0,0,0,0|2,0,0]=4 3592 B9R0.34 COCC(C)NC(=O)SC MCULE-9667438206 [0,2,0,0,0,0|1,1,0]=4 3593 B9R0.34 CONC(C)CC(=O)OC MCULE-6714954600 [0,2,0,0,0,0|1,0,0]=3 3594 B9R0.34 [C@@H](O)(CCC)CC(=O)OC MCULE-5886148746 [0,2,0,0,0,0|1,0,0]=3 3595 B9R0.44 CCCC(C)CS(=O)(=O)F MCULE-8671657897 [0,2,0,0,0,0|1,0,1]=4 3596 B9R0.44 CCCC(C)CS(=O)(=O)N MCULE-7764608034 [0,2,0,0,0,0|1,0,1]=4 3597 B9R0.44 CCNC(C)CS(=O)(=O)C MCULE-8721862069 [0,2,0,0,0,0|1,0,1]=4 3598 B9R0.44 COCC(C)CS(=O)(=O)Cl MCULE-1356143463 [0,2,0,0,0,0|1,0,1]=4 3599 B9R0.53 C=C(C)CC(C)CC(C)C MCULE-4505551323 [0,2,0,0,0,0|2,0,0]=4 3600 B9R0.53 C=C(C)CC(C)OC(=O)C MCULE-1562545021 [0,2,0,0,0,0|2,0,0]=4 3601 B9R0.53 CC(=O)CC(=NC(C)C)C MCULE-7568775053 [0,2,0,0,0,0|1,0,1]=4 3602 B9R0.53 CC(=O)CC(C)CC(C)C MCULE-3290069482 [0,2,0,0,0,0|1,0,0]=3 3603 B9R0.53 CC(=O)NC(C)CC(=O)O MCULE-8603148812 [0,2,0,0,0,0|0,0,1]=3 3604 B9R0.53 CC(=O)NC(C)OC(C)C MCULE-6295741916 [0,2,0,0,0,0|2,0,0]=4 3605 B9R0.53 CC(=O)OC(C)CC(C)C MCULE-4956954975 [0,2,0,0,0,0|2,0,0]=4 3606 B9R0.53 CC(C)CC(C)CC(=O)O MCULE-6189870651 [0,2,0,0,0,0|0,0,0]=2 3607 B9R0.53 CC(C)CC(C)CC(C)O MCULE-3603844824 [0,2,0,0,0,0|1,0,1]=4 3608 B9R0.53 CC(C)CC(C)OC(=O)Cl MCULE-5901476510 [0,2,0,0,0,0|2,0,0]=4 3609 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-3491123553 [0,2,0,0,0,0|1,0,0]=3 3610 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-4917004131 [0,2,0,0,0,0|1,0,0]=3 3611 B9R0.53 CC(C)CC(N)CC(=O)O MCULE-9751191377 [0,2,0,0,0,0|1,0,0]=3 3612 B9R0.53 CC(C)CC(O)CC(=O)O MCULE-2536433460 [0,2,0,0,0,0|1,0,0]=3 3613 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-1906257031 [0,2,0,0,0,0|1,0,0]=3 3614 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-5676550364 [0,2,0,0,0,0|1,0,0]=3 3615 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-8752852377 [0,2,0,0,0,0|1,0,0]=3 3616 B9R0.53 CC(C)C[C@@H](N)CC(=O)O MCULE-9926372034 [0,2,0,0,0,0|1,0,0]=3 3617 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5502640895 [0,2,0,0,0,0|1,0,0]=3 3618 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-5602246196 [0,2,0,0,0,0|1,0,0]=3 3619 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-6522397846 [0,2,0,0,0,0|1,0,0]=3 3620 B9R0.53 CC(C)C[C@H](N)CC(=O)O MCULE-8594791252 [0,2,0,0,0,0|1,0,0]=3 3621 B9R0.53 CC(C)NC(=O)CC(=O)O MCULE-6733291485 [0,2,0,0,0,0|1,0,1]=4 3622 B9R0.53 CC(C)OC(=O)CC(=O)O MCULE-9720330421 [0,2,0,0,0,0|1,0,1]=4 3623 B9R0.53 CC(CC(=O)N)CC(=O)N MCULE-8411499627 [0,2,0,0,0,0|1,0,1]=4 3624 B9R0.53 CC(CC(=O)O)CC(=O)O MCULE-7399673381 [0,2,0,0,0,0|0,0,1]=3 3625 B9R0.53 CC(CC(=O)O)NC(=O)N MCULE-2917505998 [0,2,0,0,0,0|1,0,1]=4 3626 B9R0.53 CN(C)CC(O)CC(=O)O MCULE-7052117725 [0,2,0,0,0,0|1,0,0]=3 3627 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-6535937676 [0,2,0,0,0,0|1,0,1]=4 3628 B9R0.53 CN(CC(=O)O)CC(=O)O MCULE-9119313390 [0,2,0,0,0,0|1,0,1]=4 3629 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-4205352281 [0,2,0,0,0,0|1,0,1]=4 3630 B9R0.53 NC(CC(=O)O)CC(=O)O MCULE-5754399431 [0,2,0,0,0,0|1,0,1]=4 3631 B9R0.53 O=C(O)CC(O)CC(=O)O MCULE-7670149511 [0,2,0,0,0,0|1,0,1]=4 3632 B9R0.58 C=C(C)CC(C)(C)CCC MCULE-6567193721 [0,2,0,0,0,0|2,0,0]=4 3633 B9R0.58 C=CCC(C)(C)CC(=O)O MCULE-3859494910 [0,2,0,0,0,0|0,0,1]=3 3634 B9R0.58 CC(C)(CC(=O)O)N=N#N MCULE-9681055092 [0,2,0,0,0,0|2,0,0]=4 3635 B9R0.58 CC(O)(CCO)CC(=O)O MCULE-1728546222 [0,2,0,0,0,0|0,0,0]=2 3636 B9R0.58 CC(O)(CCO)CC(=O)[O-] MCULE-2842724264 [0,2,0,0,0,0|0,0,1]=3 3637 B9R0.58 CCCC(C)(C)CC(=O)O MCULE-3472003458 [0,2,0,0,0,0|0,0,0]=2 3638 B9R0.58 CCCC(C)(O)CC(=O)O MCULE-7082436494 [0,2,0,0,0,0|0,0,0]=2 3639 B9R0.58 CCCS(=O)(=O)CC(=O)O MCULE-2673302591 [0,2,0,0,0,0|2,0,0]=4 3640 B9R0.58 CNCC(C)(C)CC(=O)O MCULE-9673126610 [0,2,0,0,0,0|0,0,0]=2 3641 B9R0.58 COCC(C)(C)CC(=O)O MCULE-3020905492 [0,2,0,0,0,0|0,0,0]=2 3642 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-1986337120 [0,2,0,0,0,0|0,0,0]=2 3643 B9R0.58 C[C@](O)(CCO)CC(=O)O MCULE-8476600793 [0,2,0,0,0,0|0,0,0]=2 3644 B9R0.58 O=C(O)CS(=O)(=O)CCO MCULE-3180738518 [0,2,0,0,0,0|2,0,0]=4 3645 B9R0.26 CCC(=O)CC(OC)OC MCULE-9361143270 [0,2,0,0,0,0|2,0,0]=4 3646 B9R0.26 CCC(CC)NC(=O)CCl MCULE-3924576097 [0,2,0,0,0,0|2,0,0]=4 3647 B9R0.26 CCN(CC)CC(=N)NO MCULE-2779797189 [0,2,0,0,0,0|2,0,0]=4 3648 B9R0.26 CCN(CC)CC(=NO)C MCULE-2483066033 [0,2,0,0,0,0|2,0,0]=4 3649 B9R0.26 CCN(CC)CC(=O)NN MCULE-4429265348 [0,2,0,0,0,0|2,0,0]=4 3650 B9R0.26 CCN(CC)CC(=O)OC MCULE-2727228975 [0,2,0,0,0,0|1,0,0]=3 3651 B9R0.26 COC(=O)CC(CN)OC MCULE-1711356157 [0,2,0,0,0,0|1,0,0]=3 3652 B9R0.26 COC(=O)CC(CN)OC MCULE-3322928470 [0,2,0,0,0,0|1,0,0]=3 3653 B9R0.26 COC(=O)CC(OC)OC MCULE-6254201521 [0,2,0,0,0,0|1,0,0]=3 3654 B9R0.26 COC(CC(=N)NO)OC MCULE-2548516374 [0,2,0,0,0,0|2,0,0]=4 3655 B9R0.26 COC(CC(=O)NN)OC MCULE-3628625687 [0,2,0,0,0,0|2,0,0]=4 3656 B9R0.39 CCC(CC(=O)Cl)C(=O)Cl MCULE-4134104716 [0,2,0,0,0,0|1,0,1]=4 3657 B9R0.39 CCC(CC(=O)O)C(=O)O MCULE-6275256194 [0,2,0,0,0,0|0,0,1]=3 3658 B9R0.39 CCC(CC(=O)O)C(C)C MCULE-3121416106 [0,2,0,0,0,0|0,0,0]=2 3659 B9R0.39 CC[C@H](CC(=O)O)C(C)C MCULE-7554516678 [0,2,0,0,0,0|0,0,0]=2 3660 B9R0.39 CNC(CC(=O)O)C(=O)O MCULE-5049531079 [0,2,0,0,0,0|1,0,1]=4 3661 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-4725692041 [0,2,0,0,0,0|1,0,1]=4 3662 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-6356483886 [0,2,0,0,0,0|1,0,1]=4 3663 B9R0.39 CN[C@@H](CC(=O)O)C(=O)O MCULE-9428412153 [0,2,0,0,0,0|1,0,1]=4 3664 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-1405442072 [0,2,0,0,0,0|1,0,1]=4 3665 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-8611804669 [0,2,0,0,0,0|1,0,1]=4 3666 B9R0.39 CN[C@H](CC(=O)O)C(=O)O MCULE-9080466863 [0,2,0,0,0,0|1,0,1]=4 3667 B9R0.39 COC(CC(=O)O)C(=O)O MCULE-3778948045 [0,2,0,0,0,0|1,0,1]=4 3668 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-1683659350 [0,2,0,0,0,0|1,0,1]=4 3669 B9R0.39 NCC(CC(=O)O)C(=O)O MCULE-8428141166 [0,2,0,0,0,0|1,0,1]=4 3670 B9R0.39 NCC(CC(=O)O)C(F)F MCULE-2405781497 [0,2,0,0,0,0|1,0,0]=3 3671 B9R0.39 NCC(CC(=O)O)C(F)F MCULE-7311956768 [0,2,0,0,0,0|1,0,0]=3 3672 B9R0.39 O=C(O)CC(CS)C(=O)O MCULE-7352825049 [0,2,0,0,0,0|1,0,1]=4 3673 B9R0.52 CCC(CC)CS(=O)(=O)F MCULE-3932555873 [0,2,0,0,0,0|1,0,1]=4 3674 B9R0.52 CCC(CC)CS(=O)(=O)N MCULE-6355887339 [0,2,0,0,0,0|1,0,1]=4 3675 B9R0.52 CCC(CS(=O)(=O)Cl)OC MCULE-4993140514 [0,2,0,0,0,0|1,0,1]=4 3676 B9R0.63 C#CC(C)(CC)OC(=O)N MCULE-1478667664 [0,2,0,0,0,0|2,0,0]=4 3677 B9R0.63 C=C(C)CC(C)(CC)CC MCULE-3800589553 [0,2,0,0,0,0|2,0,0]=4 3678 B9R0.63 CC(C#N)(CO)CC(=O)O MCULE-7644811798 [0,2,0,0,0,0|1,0,0]=3 3679 B9R0.63 CC(CN)(CO)CC(=O)O MCULE-3238773867 [0,2,0,0,0,0|1,0,0]=3 3680 B9R0.63 CC(CN)(CO)CC(=O)O MCULE-9021134491 [0,2,0,0,0,0|1,0,0]=3 3681 B9R0.63 CCC(C)(CC)OC(=O)N MCULE-7485099295 [0,2,0,0,0,0|2,0,0]=4 3682 B9R0.63 COP(=O)(CC(=O)O)OC MCULE-9725277410 [0,2,0,0,0,0|2,0,0]=4 3683 B9R0.22 C=CC(C)(C)CC(=O)OC MCULE-7102304980 [0,2,0,0,0,0|0,0,2]=4 3684 B9R0.22 CCC(=O)CC(C)(O)CC MCULE-6647150636 [0,2,0,0,0,0|1,0,0]=3 3685 B9R0.22 CCC(C)(C)CC(=O)OC MCULE-9086898294 [0,2,0,0,0,0|0,0,0]=2 3686 B9R0.22 CCC(C)(C)NC(=O)CCl MCULE-2010718751 [0,2,0,0,0,0|2,0,0]=4 3687 B9R0.22 CCC(C)CC(C)(O)CC MCULE-1418889839 [0,2,0,0,0,0|1,0,1]=4 3688 B9R0.22 CCC(F)(F)CC(=O)OC MCULE-3813818214 [0,2,0,0,0,0|1,0,0]=3 3689 B9R0.22 CCS(=O)(=O)CC(=O)OC MCULE-3015523789 [0,2,0,0,0,0|2,0,0]=4 3690 B9R0.22 CNC(C)(C)CC(=O)OC MCULE-7640864823 [0,2,0,0,0,0|1,0,0]=3 3691 B9R0.22 COC(=O)CC(C)(C)C#N MCULE-2895287084 [0,2,0,0,0,0|1,0,1]=4 3692 B9R0.22 COC(=O)CC(C)(C)CN MCULE-1994410298 [0,2,0,0,0,0|1,0,0]=3 3693 B9R0.22 COC(=O)CC(C)(C)CN MCULE-9711171520 [0,2,0,0,0,0|1,0,0]=3 3694 B9R0.22 COC(=O)CC(F)(F)CCl MCULE-2418347985 [0,2,0,0,0,0|2,0,0]=4 3695 B9R0.22 COC(C)(C)CC(=O)NN MCULE-5138793455 [0,2,0,0,0,0|2,0,0]=4 3696 B9R0.10 C/C(=C\C(=O)O)/C(C)(C)C MCULE-2172546258 [0,2,0,0,0,0|0,0,2]=4 3697 B9R0.10 CC(=CC(=O)O)C(C)(C)C MCULE-6247723647 [0,2,0,0,0,0|0,0,2]=4 3698 B9R0.10 CC(=O)CC(C)C(F)(F)F MCULE-3694471423 [0,2,0,0,0,0|2,0,0]=4 3699 B9R0.10 CC(=O)N[C@@H](C)C(C)(C)C MCULE-1802847315 [0,2,0,0,0,0|2,0,0]=4 3700 B9R0.10 CC(=O)N[C@H](C)C(C)(C)C MCULE-6917267025 [0,2,0,0,0,0|2,0,0]=4 3701 B9R0.10 CC(C)(C)C(N)CC(=O)O MCULE-6654125396 [0,2,0,0,0,0|1,0,0]=3 3702 B9R0.10 CC(C)(C)C(N)CC(=O)O MCULE-6842051841 [0,2,0,0,0,0|1,0,0]=3 3703 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O MCULE-5408253054 [0,2,0,0,0,0|1,0,0]=3 3704 B9R0.10 CC(C)(C)[C@@H](N)CC(=O)O MCULE-6704022659 [0,2,0,0,0,0|1,0,0]=3 3705 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O MCULE-4579899518 [0,2,0,0,0,0|1,0,0]=3 3706 B9R0.10 CC(C)(C)[C@H](N)CC(=O)O MCULE-4645205176 [0,2,0,0,0,0|1,0,0]=3 3707 B9R0.10 CC(CC(=O)O)C(C)(C)C MCULE-4114895909 [0,2,0,0,0,0|0,0,0]=2 3708 B9R0.10 CC(CC(=O)O)C(C)(C)N MCULE-4308904314 [0,2,0,0,0,0|0,0,0]=2 3709 B9R0.10 CC(CC(=O)O)C(C)(C)N MCULE-6683372980 [0,2,0,0,0,0|0,0,0]=2 3710 B9R0.10 CC(CC(=O)O)C(C)(C)O MCULE-5216715591 [0,2,0,0,0,0|0,0,0]=2 3711 B9R0.10 CC(CC(=O)O)C(F)(F)F MCULE-3242469107 [0,2,0,0,0,0|1,0,0]=3 3712 B9R0.10 CN(CC(=O)O)S(=O)(=O)C MCULE-6401759445 [0,2,0,0,0,0|2,0,0]=4 3713 B9R0.10 NC(CC(=O)O)C(F)(F)F MCULE-1895408699 [0,2,0,0,0,0|2,0,0]=4 3714 B9R0.10 NC(CC(=O)O)C(F)(F)F MCULE-8626766835 [0,2,0,0,0,0|2,0,0]=4 3715 B9R0.10 NC(CC(=O)O)C(F)(F)F MCULE-9145718434 [0,2,0,0,0,0|2,0,0]=4 3716 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F MCULE-7887087837 [0,2,0,0,0,0|2,0,0]=4 3717 B9R0.10 N[C@@H](CC(=O)O)C(F)(F)F MCULE-8616386693 [0,2,0,0,0,0|2,0,0]=4 3718 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F MCULE-3328223896 [0,2,0,0,0,0|2,0,0]=4 3719 B9R0.10 N[C@H](CC(=O)O)C(F)(F)F MCULE-8617897331 [0,2,0,0,0,0|2,0,0]=4 3720 B9R0.10 O=C(O)CC(O)C(Cl)(Cl)Cl MCULE-3017473082 [0,2,0,0,0,0|2,0,0]=4 3721 B9R0.10 O=C(O)CC(O)C(F)(F)F MCULE-2248514305 [0,2,0,0,0,0|2,0,0]=4 3722 B9R0.10 O=C(O)CC(O)C(F)(F)F MCULE-8674287224 [0,2,0,0,0,0|2,0,0]=4 3723 B9R0.10 O=C(O)C[C@@H](O)C(F)(F)F MCULE-6927162695 [0,2,0,0,0,0|2,0,0]=4 3724 B9R0.10 O=C(O)C[C@H](O)C(F)(F)F MCULE-9533775652 [0,2,0,0,0,0|2,0,0]=4 3725 B9R0.10 [C@@H](N)(CC(=O)O)C(C)(C)C MCULE-5327849230 [0,2,0,0,0,0|1,0,0]=3 3726 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-2432744381 [0,2,0,0,0,0|0,0,1]=3 3727 B9R0.11 C=C(C)C(C)(N)CC(=O)O MCULE-7800105371 [0,2,0,0,0,0|0,0,1]=3 3728 B9R0.11 CC(=O)C(C)(C)CC(=O)O MCULE-3797968347 [0,2,0,0,0,0|0,0,1]=3 3729 B9R0.11 CC(=O)NC(C)(C)C(C)C MCULE-5595520176 [0,2,0,0,0,0|2,0,0]=4 3730 B9R0.11 CC(C)(CC(=O)O)C(=O)O MCULE-7005043054 [0,2,0,0,0,0|1,0,1]=4 3731 B9R0.11 CC(C)(CC(=O)O)C(F)F MCULE-3977275616 [0,2,0,0,0,0|1,0,0]=3 3732 B9R0.11 CC(C)S(=O)(=O)CC(=O)O MCULE-6390715034 [0,2,0,0,0,0|2,0,0]=4 3733 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-3390093551 [0,2,0,0,0,0|1,0,1]=4 3734 B9R0.11 CC(N)(CC(=O)O)C(=O)O MCULE-4137717341 [0,2,0,0,0,0|1,0,1]=4 3735 B9R0.11 CC(O)(CC(=O)O)C(=O)O MCULE-8670926890 [0,2,0,0,0,0|1,0,1]=4 3736 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-5803003392 [0,2,0,0,0,0|1,0,1]=4 3737 B9R0.11 C[C@@](N)(CC(=O)O)C(=O)O MCULE-7987571569 [0,2,0,0,0,0|1,0,1]=4 3738 B9R0.11 C[C@](N)(CC(=O)O)C(=O)O MCULE-4314292616 [0,2,0,0,0,0|1,0,1]=4 3739 B9R0.11 C[C@](O)(CC(=O)O)C(=O)O MCULE-1934088864 [0,2,0,0,0,0|1,0,1]=4 3740 B9R0.11 O=C(O)CC(F)(F)C(F)F MCULE-4330223528 [0,2,0,0,0,0|2,0,0]=4 3741 B9R0.57 CC(C)C(C)CS(=O)(=O)Cl MCULE-4353398078 [0,2,0,0,0,0|1,0,1]=4 3742 B9R0.30 CCC(C)(C)CS(=O)(=O)N MCULE-6623027172 [0,2,0,0,0,0|1,0,1]=4 3743 B7R1.1 BrCC1CC=CC1 MCULE-8694814510 [1,0,0,1,0,0|2,0,0]=4 3744 B7R1.1 BrCC1CCOC1 MCULE-5109533414 [1,0,0,1,0,0|1,0,1]=4 3745 B7R1.1 BrC[C@H]1CCOC1 MCULE-3326059942 [1,0,0,1,0,0|1,0,1]=4 3746 B7R1.1 C1(CCNC1)CC MCULE-1733412139 [1,0,0,1,0,0|1,0,1]=4 3747 B7R1.1 C1(CCNC1)CC MCULE-9295480110 [1,0,0,1,0,0|1,0,1]=4 3748 B7R1.1 C1(CCOC1)CN MCULE-1674920995 [1,0,0,1,0,0|1,0,1]=4 3749 B7R1.1 C1(CCOC1)CN MCULE-9715233219 [1,0,0,1,0,0|1,0,1]=4 3750 B7R1.1 C1(CCOC1)CO MCULE-2350780678 [1,0,0,1,0,0|1,0,1]=4 3751 B7R1.1 C1(CCOC1)NC MCULE-8636753374 [1,0,0,1,0,0|1,0,1]=4 3752 B7R1.1 CCC1CCCC1 MCULE-1974854934 [1,0,0,1,0,0|1,0,1]=4 3753 B7R1.1 CCC1CCNC1 MCULE-1558031098 [1,0,0,1,0,0|1,0,1]=4 3754 B7R1.1 CCC1CCNC1 MCULE-1877930466 [1,0,0,1,0,0|1,0,1]=4 3755 B7R1.1 CC[C@@H]1CCNC1 MCULE-1468303255 [1,0,0,1,0,0|1,0,1]=4 3756 B7R1.1 CC[C@@H]1CCNC1 MCULE-2434021547 [1,0,0,1,0,0|1,0,1]=4 3757 B7R1.1 CC[C@@H]1CCNC1 MCULE-4288710106 [1,0,0,1,0,0|1,0,1]=4 3758 B7R1.1 CC[C@@H]1CCNC1 MCULE-5295271815 [1,0,0,1,0,0|1,0,1]=4 3759 B7R1.1 CC[C@H]1CCNC1 MCULE-5122116015 [1,0,0,1,0,0|1,0,1]=4 3760 B7R1.1 CC[C@H]1CCNC1 MCULE-5302237772 [1,0,0,1,0,0|1,0,1]=4 3761 B7R1.1 CC[C@H]1CCNC1 MCULE-9447387540 [1,0,0,1,0,0|1,0,1]=4 3762 B7R1.1 CC[C@H]1CCNC1 MCULE-9743799071 [1,0,0,1,0,0|1,0,1]=4 3763 B7R1.1 CNC1CCOC1 MCULE-5628928593 [1,0,0,1,0,0|1,0,1]=4 3764 B7R1.1 CNC1CCOC1 MCULE-7465078745 [1,0,0,1,0,0|1,0,1]=4 3765 B7R1.1 CNC1CCOC1 MCULE-8928979869 [1,0,0,1,0,0|1,0,1]=4 3766 B7R1.1 CN[C@@H]1CCOC1 MCULE-2275496757 [1,0,0,1,0,0|1,0,1]=4 3767 B7R1.1 CN[C@@H]1CCOC1 MCULE-4479731635 [1,0,0,1,0,0|1,0,1]=4 3768 B7R1.1 CN[C@@H]1CCOC1 MCULE-4936509842 [1,0,0,1,0,0|1,0,1]=4 3769 B7R1.1 CN[C@@H]1CCOC1 MCULE-7543653230 [1,0,0,1,0,0|1,0,1]=4 3770 B7R1.1 CN[C@H]1CCOC1 MCULE-3884907072 [1,0,0,1,0,0|1,0,1]=4 3771 B7R1.1 CN[C@H]1CCOC1 MCULE-5671082057 [1,0,0,1,0,0|1,0,1]=4 3772 B7R1.1 CN[C@H]1CCOC1 MCULE-7223789451 [1,0,0,1,0,0|1,0,1]=4 3773 B7R1.1 CN[C@H]1CCOC1 MCULE-7903690510 [1,0,0,1,0,0|1,0,1]=4 3774 B7R1.1 COC1CC=CC1 MCULE-3537302351 [1,0,0,1,0,0|2,0,0]=4 3775 B7R1.1 COC1CNOC1 MCULE-1407072401 [1,0,0,1,0,0|2,0,0]=4 3776 B7R1.1 COC1CNOC1 MCULE-3670243548 [1,0,0,1,0,0|2,0,0]=4 3777 B7R1.1 ClCC1CCOC1 MCULE-1203835826 [1,0,0,1,0,0|1,0,1]=4 3778 B7R1.1 ICC1CC=CC1 MCULE-8435970870 [1,0,0,1,0,0|2,0,0]=4 3779 B7R1.1 ICC1CCOC1 MCULE-2014671156 [1,0,0,1,0,0|1,0,1]=4 3780 B7R1.1 IC[C@H]1CCOC1 MCULE-5163407500 [1,0,0,1,0,0|1,0,1]=4 3781 B7R1.1 NCC1CC=CC1 MCULE-4315281916 [1,0,0,1,0,0|2,0,0]=4 3782 B7R1.1 NCC1CCOC1 MCULE-4208746127 [1,0,0,1,0,0|1,0,1]=4 3783 B7R1.1 NCC1CCOC1 MCULE-6540410947 [1,0,0,1,0,0|1,0,1]=4 3784 B7R1.1 NC[C@@H]1CCOC1 MCULE-2941934022 [1,0,0,1,0,0|1,0,1]=4 3785 B7R1.1 NC[C@@H]1CCOC1 MCULE-2981279377 [1,0,0,1,0,0|1,0,1]=4 3786 B7R1.1 NC[C@@H]1CCOC1 MCULE-6671508282 [1,0,0,1,0,0|1,0,1]=4 3787 B7R1.1 NC[C@@H]1CCOC1 MCULE-7170580817 [1,0,0,1,0,0|1,0,1]=4 3788 B7R1.1 NC[C@H]1CCOC1 MCULE-1537228220 [1,0,0,1,0,0|1,0,1]=4 3789 B7R1.1 NC[C@H]1CCOC1 MCULE-2673094483 [1,0,0,1,0,0|1,0,1]=4 3790 B7R1.1 NC[C@H]1CCOC1 MCULE-4873739830 [1,0,0,1,0,0|1,0,1]=4 3791 B7R1.1 NC[C@H]1CCOC1 MCULE-6059527282 [1,0,0,1,0,0|1,0,1]=4 3792 B7R1.1 OCC1CC=CC1 MCULE-4213030098 [1,0,0,1,0,0|2,0,0]=4 3793 B7R1.1 OCC1CCOC1 MCULE-8926405046 [1,0,0,1,0,0|1,0,1]=4 3794 B7R1.1 OC[C@@H]1CCOC1 MCULE-2004616524 [1,0,0,1,0,0|1,0,1]=4 3795 B7R1.1 OC[C@@H]1CCOC1 MCULE-3801423698 [1,0,0,1,0,0|1,0,1]=4 3796 B7R1.1 OC[C@H]1CCOC1 MCULE-4226412289 [1,0,0,1,0,0|1,0,1]=4 3797 B7R1.1 OC[C@H]1CCOC1 MCULE-9076004118 [1,0,0,1,0,0|1,0,1]=4 3798 B7R1.1 SCC1CCOC1 MCULE-4504314486 [1,0,0,1,0,0|1,0,1]=4 3799 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [1,0,0,1,0,0|1,0,1]=4 3800 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [1,0,0,1,0,0|2,0,0]=4 3801 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [1,0,0,1,0,0|2,0,0]=4 3802 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [1,0,0,1,0,0|2,0,0]=4 3803 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [1,0,0,1,0,0|2,0,0]=4 3804 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [1,0,0,1,0,0|0,0,2]=4 3805 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [1,0,0,1,0,0|2,0,0]=4 3806 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [1,0,0,1,0,0|1,0,0]=3 3807 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [1,0,0,1,0,0|1,0,0]=3 3808 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [1,0,0,1,0,0|2,0,0]=4 3809 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [1,0,0,1,0,0|2,0,0]=4 3810 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [1,0,0,1,0,0|1,0,1]=4 3811 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [1,0,0,1,0,0|1,0,1]=4 3812 B7R1.2 CC1CC(CO1)O MCULE-1304022283 [1,0,0,1,0,0|1,0,1]=4 3813 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [1,0,0,1,0,0|2,0,0]=4 3814 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [1,0,0,1,0,0|2,0,0]=4 3815 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [1,0,0,1,0,0|0,0,0]=2 3816 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [1,0,0,1,0,0|1,0,0]=3 3817 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [1,0,0,1,0,0|1,0,0]=3 3818 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [1,0,0,1,0,0|1,0,0]=3 3819 B7R1.2 CC1CCC(C1)Br MCULE-3834311364 [1,0,0,1,0,0|1,0,1]=4 3820 B7R1.2 CC1CCC(C1)Cl MCULE-7669391571 [1,0,0,1,0,0|1,0,1]=4 3821 B7R1.2 CC1CCC(C1)N MCULE-3681457592 [1,0,0,1,0,0|1,0,1]=4 3822 B7R1.2 CC1CCC(C1)N MCULE-8238390084 [1,0,0,1,0,0|1,0,1]=4 3823 B7R1.2 CC1CCC(C1)O MCULE-7892602703 [1,0,0,1,0,0|0,0,1]=3 3824 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [1,0,0,1,0,0|1,0,0]=3 3825 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [1,0,0,1,0,0|2,0,0]=4 3826 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [1,0,0,1,0,0|2,0,0]=4 3827 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [1,0,0,1,0,0|1,0,0]=3 3828 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [1,0,0,1,0,0|2,0,0]=4 3829 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [1,0,0,1,0,0|2,0,0]=4 3830 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [1,0,0,1,0,0|2,0,0]=4 3831 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [1,0,0,1,0,0|2,0,0]=4 3832 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [1,0,0,1,0,0|1,0,0]=3 3833 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [1,0,0,1,0,0|1,0,0]=3 3834 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [1,0,0,1,0,0|1,0,1]=4 3835 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [1,0,0,1,0,0|1,0,1]=4 3836 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [1,0,0,1,0,0|1,0,1]=4 3837 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [1,0,0,1,0,0|1,0,1]=4 3838 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [1,0,0,1,0,0|1,0,1]=4 3839 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [1,0,0,1,0,0|1,0,0]=3 3840 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [1,0,0,1,0,0|1,0,0]=3 3841 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [1,0,0,1,0,0|1,0,0]=3 3842 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [1,0,0,1,0,0|1,0,0]=3 3843 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [1,0,0,1,0,0|1,0,0]=3 3844 B7R1.2 C[C@@H]1CC[C@@H](C1)N MCULE-9471729241 [1,0,0,1,0,0|1,0,1]=4 3845 B7R1.2 C[C@@H]1CC[C@H](C1)N MCULE-5368765184 [1,0,0,1,0,0|1,0,1]=4 3846 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [1,0,0,1,0,0|1,0,0]=3 3847 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [1,0,0,1,0,0|1,0,0]=3 3848 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [1,0,0,1,0,0|2,0,0]=4 3849 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [1,0,0,1,0,0|2,0,0]=4 3850 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [1,0,0,1,0,0|1,0,0]=3 3851 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [1,0,0,1,0,0|1,0,0]=3 3852 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [1,0,0,1,0,0|2,0,0]=4 3853 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [1,0,0,1,0,0|2,0,0]=4 3854 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [1,0,0,1,0,0|2,0,0]=4 3855 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [1,0,0,1,0,0|2,0,0]=4 3856 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [1,0,0,1,0,0|1,0,1]=4 3857 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [1,0,0,1,0,0|1,0,1]=4 3858 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [1,0,0,1,0,0|1,0,1]=4 3859 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [1,0,0,1,0,0|1,0,1]=4 3860 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [1,0,0,1,0,0|1,0,1]=4 3861 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [1,0,0,1,0,0|1,0,1]=4 3862 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [1,0,0,1,0,0|1,0,1]=4 3863 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [1,0,0,1,0,0|1,0,1]=4 3864 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [1,0,0,1,0,0|1,0,0]=3 3865 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [1,0,0,1,0,0|1,0,0]=3 3866 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [1,0,0,1,0,0|1,0,0]=3 3867 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [1,0,0,1,0,0|1,0,0]=3 3868 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [1,0,0,1,0,0|0,0,0]=2 3869 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [1,0,0,1,0,0|1,0,0]=3 3870 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [1,0,0,1,0,0|1,0,0]=3 3871 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [1,0,0,1,0,0|1,0,0]=3 3872 B7R1.2 C[C@H]1CC[C@@H](C1)N MCULE-1080493056 [1,0,0,1,0,0|1,0,1]=4 3873 B7R1.2 C[C@H]1CC[C@H](C1)C MCULE-8059507758 [1,0,0,1,0,0|1,0,1]=4 3874 B7R1.2 C[C@H]1CC[C@H](C1)N MCULE-7070775136 [1,0,0,1,0,0|1,0,1]=4 3875 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [1,0,0,1,0,0|1,0,0]=3 3876 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [1,0,0,1,0,0|1,0,0]=3 3877 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [1,0,0,1,0,0|1,0,0]=3 3878 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [1,0,0,1,0,0|2,0,0]=4 3879 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [1,0,0,1,0,0|2,0,0]=4 3880 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [1,0,0,1,0,0|2,0,0]=4 3881 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [1,0,0,1,0,0|2,0,0]=4 3882 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [1,0,0,1,0,0|1,0,1]=4 3883 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [1,0,0,1,0,0|1,0,1]=4 3884 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [1,0,0,1,0,0|1,0,1]=4 3885 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [1,0,0,1,0,0|1,0,1]=4 3886 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [1,0,0,1,0,0|1,0,1]=4 3887 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [1,0,0,1,0,0|1,0,1]=4 3888 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [1,0,0,1,0,0|1,0,1]=4 3889 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [1,0,0,1,0,0|1,0,1]=4 3890 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [1,0,0,1,0,0|1,0,0]=3 3891 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [1,0,0,1,0,0|1,0,0]=3 3892 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [1,0,0,1,0,0|2,0,0]=4 3893 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [1,0,0,1,0,0|2,0,0]=4 3894 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [1,0,0,1,0,0|1,0,1]=4 3895 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [1,0,0,1,0,0|1,0,1]=4 3896 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [1,0,0,1,0,0|2,0,0]=4 3897 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [1,0,0,1,0,0|2,0,0]=4 3898 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [1,0,0,1,0,0|2,0,0]=4 3899 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [1,0,0,1,0,0|2,0,0]=4 3900 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [1,0,0,1,0,0|2,0,0]=4 3901 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [1,0,0,1,0,0|2,0,0]=4 3902 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [1,0,0,1,0,0|2,0,0]=4 3903 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [1,0,0,1,0,0|2,0,0]=4 3904 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [1,0,0,1,0,0|2,0,0]=4 3905 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [1,0,0,1,0,0|2,0,0]=4 3906 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [1,0,0,1,0,0|1,0,1]=4 3907 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [1,0,0,1,0,0|1,0,1]=4 3908 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [1,0,0,1,0,0|1,0,1]=4 3909 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [1,0,0,1,0,0|1,0,1]=4 3910 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [1,0,0,1,0,0|1,0,1]=4 3911 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [1,0,0,1,0,0|1,0,1]=4 3912 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [1,0,0,1,0,0|1,0,1]=4 3913 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [1,0,0,1,0,0|1,0,1]=4 3914 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [1,0,0,1,0,0|1,0,1]=4 3915 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [1,0,0,1,0,0|1,0,1]=4 3916 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [1,0,0,1,0,0|2,0,0]=4 3917 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [1,0,0,1,0,0|2,0,0]=4 3918 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [1,0,0,1,0,0|2,0,0]=4 3919 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [1,0,0,1,0,0|2,0,0]=4 3920 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [1,0,0,1,0,0|2,0,0]=4 3921 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [1,0,0,1,0,0|2,0,0]=4 3922 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [1,0,0,1,0,0|2,0,0]=4 3923 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [1,0,0,1,0,0|2,0,0]=4 3924 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [1,0,0,1,0,0|1,0,1]=4 3925 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [1,0,0,1,0,0|1,0,1]=4 3926 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [1,0,0,1,0,0|1,0,1]=4 3927 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [1,0,0,1,0,0|1,0,1]=4 3928 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [1,0,0,1,0,0|1,0,1]=4 3929 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [1,0,0,1,0,0|1,0,1]=4 3930 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [1,0,0,1,0,0|1,0,1]=4 3931 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [1,0,0,1,0,0|1,0,1]=4 3932 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [1,0,0,1,0,0|1,0,1]=4 3933 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [1,0,0,1,0,0|1,0,1]=4 3934 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [1,0,0,1,0,0|2,0,0]=4 3935 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [1,0,0,1,0,0|2,0,0]=4 3936 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [1,0,0,1,0,0|2,0,0]=4 3937 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [1,0,0,1,0,0|2,0,0]=4 3938 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [1,0,0,1,0,0|2,0,0]=4 3939 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [1,0,0,1,0,0|2,0,0]=4 3940 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [1,0,0,1,0,0|2,0,0]=4 3941 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [1,0,0,1,0,0|2,0,0]=4 3942 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [1,0,0,1,0,0|2,0,0]=4 3943 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [1,0,0,1,0,0|2,0,0]=4 3944 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [1,0,0,1,0,0|2,0,0]=4 3945 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [1,0,0,1,0,0|2,0,0]=4 3946 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [1,0,0,1,0,0|2,0,0]=4 3947 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [1,0,0,1,0,0|2,0,0]=4 3948 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [1,0,0,1,0,0|1,0,1]=4 3949 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [1,0,0,1,0,0|1,0,0]=3 3950 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [1,0,0,1,0,0|1,0,0]=3 3951 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [1,0,0,1,0,0|1,0,0]=3 3952 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [1,0,0,1,0,0|2,0,0]=4 3953 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [1,0,0,1,0,0|2,0,0]=4 3954 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [1,0,0,1,0,0|2,0,0]=4 3955 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [1,0,0,1,0,0|2,0,0]=4 3956 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [1,0,0,1,0,0|2,0,0]=4 3957 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [1,0,0,1,0,0|2,0,0]=4 3958 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [1,0,0,1,0,0|2,0,0]=4 3959 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [1,0,0,1,0,0|2,0,0]=4 3960 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [1,0,0,1,0,0|2,0,0]=4 3961 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [1,0,0,1,0,0|2,0,0]=4 3962 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [1,0,0,1,0,0|2,0,0]=4 3963 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [1,0,0,1,0,0|2,0,0]=4 3964 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [1,0,0,1,0,0|2,0,0]=4 3965 B7R1.2 OC1CCC(C1)O MCULE-2799846813 [1,0,0,1,0,0|1,0,1]=4 3966 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-4481324218 [1,0,0,1,0,0|1,0,1]=4 3967 B7R1.2 O[C@@H]1CC[C@H](C1)O MCULE-6560672131 [1,0,0,1,0,0|1,0,1]=4 3968 B7R1.2 O[C@H]1CC[C@H](C1)O MCULE-4640874873 [1,0,0,1,0,0|1,0,1]=4 3969 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [1,0,0,1,0,0|1,0,1]=4 3970 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [1,0,0,1,0,0|1,0,1]=4 3971 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [1,0,0,1,0,0|0,0,0]=2 3972 B7R1.2 [C@H]1(CC[C@H](C1)O)O MCULE-4834858159 [1,0,0,1,0,0|1,0,1]=4 3973 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [1,0,0,1,0,0|1,0,1]=4 3974 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [1,0,0,1,0,0|1,0,1]=4 3975 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [1,0,0,1,0,0|1,0,1]=4 3976 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [1,0,0,1,0,0|1,0,1]=4 3977 B7R1.3 BrC1CCOCC1 MCULE-4896539126 [1,0,0,1,0,0|1,0,1]=4 3978 B7R1.3 CC1C=CCCC1 MCULE-8057302830 [1,0,0,1,0,0|1,0,1]=4 3979 B7R1.3 CC1CC=CCC1 MCULE-6343106785 [1,0,0,1,0,0|1,0,0]=3 3980 B7R1.3 CC1CCCCC1 MCULE-3843525768 [1,0,0,1,0,0|1,0,1]=4 3981 B7R1.3 CC1CCCNC1 MCULE-3344207132 [1,0,0,1,0,0|2,0,0]=4 3982 B7R1.3 CC1CCCNC1 MCULE-5707832183 [1,0,0,1,0,0|2,0,0]=4 3983 B7R1.3 CC1CCCNC1 MCULE-7033850891 [1,0,0,1,0,0|2,0,0]=4 3984 B7R1.3 CC1CCCNC1 MCULE-7153943487 [1,0,0,1,0,0|2,0,0]=4 3985 B7R1.3 CC1CCNCC1 MCULE-5873723365 [1,0,0,1,0,0|1,0,1]=4 3986 B7R1.3 CC1CCNCC1 MCULE-6994675149 [1,0,0,1,0,0|1,0,1]=4 3987 B7R1.3 CC1CCNCC1 MCULE-9043030659 [1,0,0,1,0,0|1,0,1]=4 3988 B7R1.3 CC1CCOCC1 MCULE-8623581625 [1,0,0,1,0,0|0,0,1]=3 3989 B7R1.3 CC1CCOCN1 MCULE-5420262342 [1,0,0,1,0,0|1,0,1]=4 3990 B7R1.3 CC1CCOCO1 MCULE-5013590651 [1,0,0,1,0,0|1,0,1]=4 3991 B7R1.3 CN1CC=CCC1 MCULE-1566475259 [1,0,0,1,0,0|2,0,0]=4 3992 B7R1.3 CN1CC=CCC1 MCULE-7879022625 [1,0,0,1,0,0|2,0,0]=4 3993 B7R1.3 CN1CCOCC1 MCULE-1649171852 [1,0,0,1,0,0|1,0,1]=4 3994 B7R1.3 C[C@@H]1CCCNC1 MCULE-1079173995 [1,0,0,1,0,0|2,0,0]=4 3995 B7R1.3 C[C@@H]1CCCNC1 MCULE-1230145662 [1,0,0,1,0,0|2,0,0]=4 3996 B7R1.3 C[C@@H]1CCCNC1 MCULE-3423787676 [1,0,0,1,0,0|2,0,0]=4 3997 B7R1.3 C[C@@H]1CCCNC1 MCULE-9303264483 [1,0,0,1,0,0|2,0,0]=4 3998 B7R1.3 C[C@H]1CCCNC1 MCULE-3372852932 [1,0,0,1,0,0|2,0,0]=4 3999 B7R1.3 C[C@H]1CCCNC1 MCULE-5146147676 [1,0,0,1,0,0|2,0,0]=4 4000 B7R1.3 C[C@H]1CCCNC1 MCULE-7894943546 [1,0,0,1,0,0|2,0,0]=4 4001 B7R1.3 C[C@H]1CCCNC1 MCULE-8016414984 [1,0,0,1,0,0|2,0,0]=4 4002 B7R1.3 ClC1CCOCC1 MCULE-5672440693 [1,0,0,1,0,0|1,0,1]=4 4003 B7R1.3 IC1CCOCC1 MCULE-7226892860 [1,0,0,1,0,0|1,0,1]=4 4004 B7R1.3 NC1CC=CCC1 MCULE-4040563231 [1,0,0,1,0,0|2,0,0]=4 4005 B7R1.3 NC1CC=CCC1 MCULE-9904098902 [1,0,0,1,0,0|2,0,0]=4 4006 B7R1.3 NC1CCOCC1 MCULE-4830730893 [1,0,0,1,0,0|1,0,1]=4 4007 B7R1.3 NC1CCOCC1 MCULE-6229850202 [1,0,0,1,0,0|1,0,1]=4 4008 B7R1.3 NC1CCOCC1 MCULE-7619874469 [1,0,0,1,0,0|1,0,1]=4 4009 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7764023195 [1,0,0,1,0,0|2,0,0]=4 4010 B7R1.3 N[C@@H]1CC=CCC1 MCULE-7983408030 [1,0,0,1,0,0|2,0,0]=4 4011 B7R1.3 N[C@H]1CC=CCC1 MCULE-2054948922 [1,0,0,1,0,0|2,0,0]=4 4012 B7R1.3 N[C@H]1CC=CCC1 MCULE-6634059436 [1,0,0,1,0,0|2,0,0]=4 4013 B7R1.3 OC1CC=CCC1 MCULE-9472259407 [1,0,0,1,0,0|2,0,0]=4 4014 B7R1.3 OC1CCOCC1 MCULE-3789534226 [1,0,0,1,0,0|1,0,1]=4 4015 B7R1.3 SC1CCOCC1 MCULE-1287019115 [1,0,0,1,0,0|1,0,1]=4 4016 B7R1.4 CC1CCNC1C MCULE-2184586167 [1,0,0,1,0,0|1,0,1]=4 4017 B7R1.4 CC1CNCC1C MCULE-5821391512 [1,0,0,1,0,0|2,0,0]=4 4018 B7R1.4 CC1CNCC1C MCULE-6626101399 [1,0,0,1,0,0|2,0,0]=4 4019 B7R1.4 CC1OCCC1N MCULE-4343663724 [1,0,0,1,0,0|1,0,1]=4 4020 B7R1.4 CC1OCCC1N MCULE-9003879039 [1,0,0,1,0,0|1,0,1]=4 4021 B7R1.4 CC1OCCC1O MCULE-6904695721 [1,0,0,1,0,0|1,0,1]=4 4022 B7R1.4 CC1OCCC1S MCULE-9127694888 [1,0,0,1,0,0|1,0,1]=4 4023 B7R1.4 CC1OCOC1C MCULE-9497186094 [1,0,0,1,0,0|1,0,1]=4 4024 B7R1.4 C[C@@H]1CNC[C@@H]1C MCULE-4592161485 [1,0,0,1,0,0|2,0,0]=4 4025 B7R1.4 C[C@@H]1CNC[C@@H]1C MCULE-5506149631 [1,0,0,1,0,0|2,0,0]=4 4026 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-2567871968 [1,0,0,1,0,0|2,0,0]=4 4027 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-5626188867 [1,0,0,1,0,0|2,0,0]=4 4028 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-7438009663 [1,0,0,1,0,0|2,0,0]=4 4029 B7R1.4 C[C@@H]1CNC[C@H]1C MCULE-8649896095 [1,0,0,1,0,0|2,0,0]=4 4030 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-5910807847 [1,0,0,1,0,0|1,0,1]=4 4031 B7R1.4 C[C@@H]1OCC[C@H]1N MCULE-7586038907 [1,0,0,1,0,0|1,0,1]=4 4032 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7622265949 [1,0,0,1,0,0|1,0,1]=4 4033 B7R1.4 C[C@H]1CCN[C@@H]1C MCULE-7686056776 [1,0,0,1,0,0|1,0,1]=4 4034 B7R1.4 C[C@H]1CNC[C@@H]1C MCULE-2214344957 [1,0,0,1,0,0|2,0,0]=4 4035 B7R1.4 C[C@H]1CNC[C@@H]1C MCULE-2877312650 [1,0,0,1,0,0|2,0,0]=4 4036 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-1432785321 [1,0,0,1,0,0|1,0,1]=4 4037 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-3008045787 [1,0,0,1,0,0|1,0,1]=4 4038 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-7656776924 [1,0,0,1,0,0|1,0,1]=4 4039 B7R1.4 C[C@H]1OCC[C@H]1N MCULE-8087379612 [1,0,0,1,0,0|1,0,1]=4 4040 B7R1.5 CC1CC1N=C=O MCULE-2439771505 [1,0,0,1,0,0|1,0,1]=4 4041 B7R1.5 CNCC1CC1C MCULE-9748636910 [1,0,0,1,0,0|2,0,0]=4 4042 B7R1.6 BrCCC1CCC1 MCULE-8124070706 [1,0,0,1,0,0|1,0,1]=4 4043 B7R1.6 C=CCC1CNC1 MCULE-2499763329 [1,0,0,1,0,0|2,0,0]=4 4044 B7R1.6 C=CCC1CNC1 MCULE-7063989348 [1,0,0,1,0,0|2,0,0]=4 4045 B7R1.6 CNCC1CCC1 MCULE-3632390845 [1,0,0,1,0,0|2,0,0]=4 4046 B7R1.6 CNCC1CCC1 MCULE-4932211047 [1,0,0,1,0,0|2,0,0]=4 4047 B7R1.6 N#CCC1CCC1 MCULE-6463664417 [1,0,0,1,0,0|1,0,1]=4 4048 B7R1.6 NCCC1CCC1 MCULE-2620603238 [1,0,0,1,0,0|1,0,1]=4 4049 B7R1.6 NCCC1CCC1 MCULE-8653518690 [1,0,0,1,0,0|1,0,1]=4 4050 B7R1.6 NNCC1CCC1 MCULE-1501882161 [1,0,0,1,0,0|2,0,0]=4 4051 B7R1.6 NNCC1CCC1 MCULE-2534970700 [1,0,0,1,0,0|2,0,0]=4 4052 B7R1.6 NNCC1CCC1 MCULE-3026467418 [1,0,0,1,0,0|2,0,0]=4 4053 B7R1.6 NOCC1CCC1 MCULE-1477129462 [1,0,0,1,0,0|2,0,0]=4 4054 B7R1.6 NOCC1CCC1 MCULE-7638467520 [1,0,0,1,0,0|2,0,0]=4 4055 B7R1.6 O=C=NC1CCC1 MCULE-9904450065 [1,0,0,1,0,0|1,0,1]=4 4056 B7R1.6 O=CCC1CCC1 MCULE-6234957728 [1,0,0,1,0,0|0,0,0]=2 4057 B7R1.6 O=CCC1COC1 MCULE-3070858256 [1,0,0,1,0,0|1,0,0]=3 4058 B7R1.6 OCCC1CCC1 MCULE-1014969390 [1,0,0,1,0,0|0,0,1]=3 4059 B7R1.6 OCCC1CCN1 MCULE-4368379502 [1,0,0,1,0,0|1,0,1]=4 4060 B7R1.6 OCCC1CCO1 MCULE-3323265996 [1,0,0,1,0,0|1,0,1]=4 4061 B7R1.6 OCCC1CNC1 MCULE-1975411420 [1,0,0,1,0,0|1,0,1]=4 4062 B7R1.6 OCCC1CNC1 MCULE-4993890888 [1,0,0,1,0,0|1,0,1]=4 4063 B7R1.6 OCCC1COC1 MCULE-2515762048 [1,0,0,1,0,0|1,0,1]=4 4064 B7R1.6 OCCN1CCC1 MCULE-5517552533 [1,0,0,1,0,0|1,0,1]=4 4065 B7R1.6 OCC[C@@H]1CCN1 MCULE-9567198532 [1,0,0,1,0,0|1,0,1]=4 4066 B7R1.6 OCC[C@@H]1CCO1 MCULE-6606073727 [1,0,0,1,0,0|1,0,1]=4 4067 B7R1.6 OCC[C@H]1CCN1 MCULE-7385668340 [1,0,0,1,0,0|1,0,1]=4 4068 B7R1.6 OCC[C@H]1CCO1 MCULE-4848994972 [1,0,0,1,0,0|1,0,1]=4 4069 B7R1.6 OCC[C@H]1CCO1 MCULE-9787306242 [1,0,0,1,0,0|1,0,1]=4 4070 B7R1.8 CC1CCC1C=O MCULE-9541644884 [1,0,0,1,0,0|0,0,0]=2 4071 B7R1.8 CC1CCC1CO MCULE-4677269341 [1,0,0,1,0,0|0,0,1]=3 4072 B7R1.8 CN1CCC1CO MCULE-3475629266 [1,0,0,1,0,0|1,0,1]=4 4073 B7R1.8 CN1CC[C@@H]1CO MCULE-2590783241 [1,0,0,1,0,0|1,0,1]=4 4074 B7R1.8 CN1CC[C@@H]1CO MCULE-9683847113 [1,0,0,1,0,0|1,0,1]=4 4075 B7R1.8 CN1CC[C@H]1CO MCULE-6507300625 [1,0,0,1,0,0|1,0,1]=4 4076 B7R1.8 CN1CC[C@H]1CO MCULE-9641004134 [1,0,0,1,0,0|1,0,1]=4 4077 B7R1.8 OCC1CCC1F MCULE-2481035584 [1,0,0,1,0,0|1,0,1]=4 4078 B7R1.8 OCC1CCC1O MCULE-9764745395 [1,0,0,1,0,0|1,0,1]=4 4079 B7R1.8 OC[C@@H]1CC[C@H]1O MCULE-5043281368 [1,0,0,1,0,0|1,0,1]=4 4080 B7R1.8 OC[C@H]1CC[C@H]1O MCULE-1536326248 [1,0,0,1,0,0|1,0,1]=4 4081 B7R1.9 CCC1CC1CN MCULE-6264158284 [1,0,0,1,0,0|1,0,1]=4 4082 B7R1.9 CCC1CC1CN MCULE-7047201371 [1,0,0,1,0,0|1,0,1]=4 4083 B7R1.9 CCC1CC1CO MCULE-3342087238 [1,0,0,1,0,0|0,0,1]=3 4084 B7R1.9 COC1CC1C=O MCULE-8346964880 [1,0,0,1,0,0|1,0,0]=3 4085 B7R1.9 NCC1CC1CO MCULE-2679526126 [1,0,0,1,0,0|1,0,1]=4 4086 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [1,0,0,1,0,0|1,0,1]=4 4087 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [1,0,0,1,0,0|1,0,1]=4 4088 B7R1.9 OCC1CC1CO MCULE-5153064657 [1,0,0,1,0,0|1,0,1]=4 4089 B7R1.9 OC[C@H]1C[C@H]1CO MCULE-9036138013 [1,0,0,1,0,0|1,0,1]=4 4090 B7R1.10 C#CC1CC(=O)C1 MCULE-3858789141 [1,0,0,1,0,0|0,0,2]=4 4091 B7R1.10 C=C1CC(C1)CBr MCULE-5306604568 [1,0,0,1,0,0|2,0,0]=4 4092 B7R1.10 C=C1CC(C1)CN MCULE-1227151583 [1,0,0,1,0,0|2,0,0]=4 4093 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [1,0,0,1,0,0|2,0,0]=4 4094 B7R1.10 C=C1CC(C1)NC MCULE-3988893291 [1,0,0,1,0,0|2,0,0]=4 4095 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [1,0,0,1,0,0|0,0,2]=4 4096 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [1,0,0,1,0,0|0,0,0]=2 4097 B7R1.10 CCN1CC(C1)O MCULE-6471655695 [1,0,0,1,0,0|1,0,1]=4 4098 B7R1.10 CCN1CC(C1)O MCULE-9317904836 [1,0,0,1,0,0|1,0,1]=4 4099 B7R1.10 CNC1CC(C1)O MCULE-1360972312 [1,0,0,1,0,0|1,0,1]=4 4100 B7R1.10 CNC1CC(C1)O MCULE-1798280109 [1,0,0,1,0,0|1,0,1]=4 4101 B7R1.10 CN[C@H]1C[C@@H](C1)O MCULE-2573139583 [1,0,0,1,0,0|1,0,1]=4 4102 B7R1.10 CN[C@H]1C[C@@H](C1)O MCULE-8240672064 [1,0,0,1,0,0|1,0,1]=4 4103 B7R1.10 CN[C@H]1C[C@H](C1)O MCULE-1676114682 [1,0,0,1,0,0|1,0,1]=4 4104 B7R1.10 CN[C@H]1C[C@H](C1)O MCULE-5219886186 [1,0,0,1,0,0|1,0,1]=4 4105 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [1,0,0,1,0,0|1,0,0]=3 4106 B7R1.10 COC1CC(C1)O MCULE-6762585493 [1,0,0,1,0,0|1,0,1]=4 4107 B7R1.10 CO[C@H]1C[C@@H](C1)O MCULE-8355585959 [1,0,0,1,0,0|1,0,1]=4 4108 B7R1.10 CO[C@H]1C[C@H](C1)O MCULE-4960775262 [1,0,0,1,0,0|1,0,1]=4 4109 B7R1.10 CSC1CC(=O)C1 MCULE-4578180421 [1,0,0,1,0,0|1,0,0]=3 4110 B7R1.10 CSC1CC(C1)O MCULE-1605912153 [1,0,0,1,0,0|1,0,1]=4 4111 B7R1.10 N#CC1CC(=O)C1 MCULE-7054848642 [1,0,0,1,0,0|1,0,1]=4 4112 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [1,0,0,1,0,0|1,0,0]=3 4113 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [1,0,0,1,0,0|1,0,0]=3 4114 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [1,0,0,1,0,0|2,0,0]=4 4115 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [1,0,0,1,0,0|1,0,1]=4 4116 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [1,0,0,1,0,0|1,0,1]=4 4117 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [1,0,0,1,0,0|1,0,1]=4 4118 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [1,0,0,1,0,0|1,0,1]=4 4119 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [1,0,0,1,0,0|1,0,1]=4 4120 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [1,0,0,1,0,0|1,0,1]=4 4121 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [1,0,0,1,0,0|1,0,0]=3 4122 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [1,0,0,1,0,0|1,0,0]=3 4123 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [1,0,0,1,0,0|1,0,0]=3 4124 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [1,0,0,1,0,0|1,0,0]=3 4125 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [1,0,0,1,0,0|2,0,0]=4 4126 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [1,0,0,1,0,0|2,0,0]=4 4127 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [1,0,0,1,0,0|2,0,0]=4 4128 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [1,0,0,1,0,0|2,0,0]=4 4129 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [1,0,0,1,0,0|2,0,0]=4 4130 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [1,0,0,1,0,0|2,0,0]=4 4131 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [1,0,0,1,0,0|2,0,0]=4 4132 B7R1.10 OC1CC(C1)CBr MCULE-8641406432 [1,0,0,1,0,0|1,0,1]=4 4133 B7R1.10 OC1CC(C1)CF MCULE-9152872996 [1,0,0,1,0,0|1,0,1]=4 4134 B7R1.10 OCC1CC(C1)O MCULE-3885216336 [1,0,0,1,0,0|1,0,1]=4 4135 B7R1.10 OC[C@H]1C[C@H](C1)O MCULE-2350233032 [1,0,0,1,0,0|1,0,1]=4 4136 B7R1.10 O[C@H]1C[C@H](C1)CF MCULE-2417083162 [1,0,0,1,0,0|1,0,1]=4 4137 B7R1.11 CC1C(C1C=O)Cl MCULE-4531897284 [1,0,0,1,0,0|1,0,0]=3 4138 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [1,0,0,1,0,0|0,0,0]=2 4139 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [1,0,0,1,0,0|2,0,0]=4 4140 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [1,0,0,1,0,0|2,0,0]=4 4141 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [1,0,0,1,0,0|2,0,0]=4 4142 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [1,0,0,1,0,0|2,0,0]=4 4143 B7R1.21 C=CCC1(CC1)N MCULE-3459936147 [1,0,0,1,0,0|2,0,0]=4 4144 B7R1.21 C=CCC1(CC1)N MCULE-9778934131 [1,0,0,1,0,0|2,0,0]=4 4145 B7R1.21 CC1(CC1)CCBr MCULE-4700835198 [1,0,0,1,0,0|1,0,1]=4 4146 B7R1.21 CC1(CC1)CCN MCULE-1525421562 [1,0,0,1,0,0|1,0,1]=4 4147 B7R1.21 CC1(CC1)CCN MCULE-2587012619 [1,0,0,1,0,0|1,0,1]=4 4148 B7R1.21 CC1(CC1)CCO MCULE-4173763460 [1,0,0,1,0,0|0,0,1]=3 4149 B7R1.21 CNCC1(CC1)C MCULE-5523822723 [1,0,0,1,0,0|2,0,0]=4 4150 B7R1.21 NC1(CC1)CCO MCULE-6023170197 [1,0,0,1,0,0|1,0,1]=4 4151 B7R1.21 NC1(CC1)CCO MCULE-6146864546 [1,0,0,1,0,0|1,0,1]=4 4152 B7R1.21 OCCC1(CC1)O MCULE-9575986419 [1,0,0,1,0,0|1,0,1]=4 4153 B7R1.25 CC1(CCO1)CN MCULE-1371408706 [1,0,0,1,0,0|1,0,1]=4 4154 B7R1.25 CC1(CCO1)CO MCULE-6424264752 [1,0,0,1,0,0|1,0,1]=4 4155 B7R1.25 CCC1(CNC1)C MCULE-6047240128 [1,0,0,1,0,0|2,0,0]=4 4156 B7R1.25 CCC1(CNC1)C MCULE-7401095376 [1,0,0,1,0,0|2,0,0]=4 4157 B7R1.25 C[C@@]1(CCO1)CN MCULE-8755107224 [1,0,0,1,0,0|1,0,1]=4 4158 B7R1.25 C[C@@]1(CCO1)CO MCULE-4685471926 [1,0,0,1,0,0|1,0,1]=4 4159 B7R1.25 C[C@@]1(CCO1)CO MCULE-5799098537 [1,0,0,1,0,0|1,0,1]=4 4160 B7R1.25 C[C@]1(CCO1)CO MCULE-5749345841 [1,0,0,1,0,0|1,0,1]=4 4161 B7R1.27 CCC1(CC1N)C MCULE-2073505141 [1,0,0,1,0,0|1,0,1]=4 4162 B7R1.27 CCC1(CC1N)C MCULE-3927183672 [1,0,0,1,0,0|1,0,1]=4 4163 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [1,0,0,1,0,0|0,0,2]=4 4164 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [1,0,0,1,0,0|1,0,0]=3 4165 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [1,0,0,1,0,0|1,0,0]=3 4166 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [1,0,0,1,0,0|0,0,2]=4 4167 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [1,0,0,1,0,0|1,0,0]=3 4168 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [1,0,0,1,0,0|1,0,0]=3 4169 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [1,0,0,1,0,0|0,0,0]=2 4170 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [1,0,0,1,0,0|2,0,0]=4 4171 B7R1.12 C[C@@H]1C[C@@H]1B(O)O MCULE-4091409950 [1,0,0,1,0,0|1,0,1]=4 4172 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [1,0,0,1,0,0|0,0,0]=2 4173 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [1,0,0,1,0,0|0,0,0]=2 4174 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [1,0,0,1,0,0|0,0,0]=2 4175 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [1,0,0,1,0,0|0,0,0]=2 4176 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [1,0,0,1,0,0|0,0,0]=2 4177 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [1,0,0,1,0,0|0,0,0]=2 4178 B7R1.12 C[C@H]1C[C@H]1B(O)O MCULE-9584013970 [1,0,0,1,0,0|1,0,1]=4 4179 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [1,0,0,1,0,0|0,0,0]=2 4180 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [1,0,0,1,0,0|0,0,0]=2 4181 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [1,0,0,1,0,0|0,0,0]=2 4182 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [1,0,0,1,0,0|2,0,0]=4 4183 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [1,0,0,1,0,0|2,0,0]=4 4184 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [1,0,0,1,0,0|1,0,0]=3 4185 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [1,0,0,1,0,0|1,0,0]=3 4186 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [1,0,0,1,0,0|1,0,0]=3 4187 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [1,0,0,1,0,0|1,0,0]=3 4188 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [1,0,0,1,0,0|1,0,0]=3 4189 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [1,0,0,1,0,0|1,0,0]=3 4190 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [1,0,0,1,0,0|1,0,0]=3 4191 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [1,0,0,1,0,0|1,0,0]=3 4192 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [1,0,0,1,0,0|1,0,0]=3 4193 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [1,0,0,1,0,0|1,0,0]=3 4194 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [1,0,0,1,0,0|1,0,0]=3 4195 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [1,0,0,1,0,0|1,0,0]=3 4196 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [1,0,0,1,0,0|1,0,0]=3 4197 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [1,0,0,1,0,0|1,0,0]=3 4198 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [1,0,0,1,0,0|1,0,0]=3 4199 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [1,0,0,1,0,0|1,0,0]=3 4200 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [1,0,0,1,0,0|1,0,0]=3 4201 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [1,0,0,1,0,0|1,0,0]=3 4202 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [1,0,0,1,0,0|1,0,0]=3 4203 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [1,0,0,1,0,0|1,0,0]=3 4204 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [1,0,0,1,0,0|1,0,0]=3 4205 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [1,0,0,1,0,0|1,0,0]=3 4206 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [1,0,0,1,0,0|0,0,0]=2 4207 B7R1.16 CC1(CC(=O)C1)C MCULE-4306266527 [1,0,0,1,0,0|1,0,0]=3 4208 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [1,0,0,1,0,0|2,0,0]=4 4209 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [1,0,0,1,0,0|2,0,0]=4 4210 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [1,0,0,1,0,0|1,0,0]=3 4211 B7R1.16 CC1(CC(C1)O)C MCULE-3648206950 [1,0,0,1,0,0|1,0,1]=4 4212 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [1,0,0,1,0,0|1,0,0]=3 4213 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [1,0,0,1,0,0|2,0,0]=4 4214 B7R1.20 CC(C)CC1CO1 MCULE-7259971470 [1,0,0,1,0,0|1,0,1]=4 4215 B7R1.20 CC(O)CC1CC1 MCULE-1952195648 [1,0,0,1,0,0|1,0,1]=4 4216 B7R1.20 C[C@@H](O)CC1CC1 MCULE-2616688976 [1,0,0,1,0,0|1,0,1]=4 4217 B7R1.20 C[C@H](O)CC1CC1 MCULE-5001414363 [1,0,0,1,0,0|1,0,1]=4 4218 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [1,0,0,1,0,0|2,0,0]=4 4219 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [1,0,0,1,0,0|2,0,0]=4 4220 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [1,0,0,1,0,0|1,0,0]=3 4221 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [1,0,0,1,0,0|2,0,0]=4 4222 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [1,0,0,1,0,0|2,0,0]=4 4223 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [1,0,0,1,0,0|1,1,0]=4 4224 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [1,0,0,1,0,0|1,0,0]=3 4225 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [1,0,0,1,0,0|2,0,0]=4 4226 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [1,0,0,1,0,0|2,0,0]=4 4227 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [1,0,0,1,0,0|0,0,2]=4 4228 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [1,0,0,1,0,0|0,0,0]=2 4229 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [1,0,0,1,0,0|1,0,0]=3 4230 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [1,0,0,1,0,0|1,0,0]=3 4231 B7R1.20 O=N(=O)CC1CC1 MCULE-1695328225 [1,0,0,1,0,0|1,0,1]=4 4232 B7R1.20 O=S([O-])CC1CC1 MCULE-5174157846 [1,0,0,1,0,0|1,0,1]=4 4233 B7R1.20 O=S([O-])CC1CC1 MCULE-8367574745 [1,0,0,1,0,0|1,0,1]=4 4234 B7R1.20 OB(O)CC1CC1 MCULE-2775080556 [1,0,0,1,0,0|1,0,1]=4 4235 B7R1.7 CCCCC1CO1 MCULE-8403189539 [1,0,0,1,0,0|1,0,1]=4 4236 B7R1.14 CC1(CCCC1)O MCULE-1425529053 [1,0,0,1,0,0|1,0,1]=4 4237 B7R1.14 N=S1(=O)CCCC1 MCULE-6922708158 [1,0,0,1,0,0|2,0,0]=4 4238 B7R1.14 O=P1(CCCC1)Cl MCULE-9877294162 [1,0,0,1,0,0|2,0,0]=4 4239 B7R1.14 O=S1(=O)CCCC1 MCULE-3506686856 [1,0,0,1,0,0|1,0,1]=4 4240 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [1,0,0,1,0,0|1,0,0]=3 4241 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [1,0,0,1,0,0|1,0,0]=3 4242 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [1,0,0,1,0,0|2,0,0]=4 4243 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [1,0,0,1,0,0|2,0,0]=4 4244 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [1,0,0,1,0,0|2,0,0]=4 4245 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [1,0,0,1,0,0|2,0,0]=4 4246 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [1,0,0,1,0,0|2,0,0]=4 4247 B7R1.18 CC(O)C1CCC1 MCULE-7846963519 [1,0,0,1,0,0|1,0,1]=4 4248 B7R1.18 C[C@@H](O)C1CCC1 MCULE-6990873960 [1,0,0,1,0,0|1,0,1]=4 4249 B7R1.18 C[C@H](O)C1CCC1 MCULE-5072123772 [1,0,0,1,0,0|1,0,1]=4 4250 B7R1.18 C[C@H](O)C1CCC1 MCULE-6701623925 [1,0,0,1,0,0|1,0,1]=4 4251 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [1,0,0,1,0,0|2,0,0]=4 4252 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [1,0,0,1,0,0|2,0,0]=4 4253 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [1,0,0,1,0,0|2,0,0]=4 4254 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [1,0,0,1,0,0|1,0,0]=3 4255 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [1,0,0,1,0,0|2,0,0]=4 4256 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [1,0,0,1,0,0|2,0,0]=4 4257 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [1,0,0,1,0,0|2,0,0]=4 4258 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [1,0,0,1,0,0|2,0,0]=4 4259 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [1,0,0,1,0,0|2,0,0]=4 4260 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [1,0,0,1,0,0|2,0,0]=4 4261 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [1,0,0,1,0,0|2,0,0]=4 4262 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [1,0,0,1,0,0|2,0,0]=4 4263 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [1,0,0,1,0,0|1,1,0]=4 4264 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [1,0,0,1,0,0|1,0,0]=3 4265 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [1,0,0,1,0,0|2,0,0]=4 4266 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [1,0,0,1,0,0|0,0,2]=4 4267 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [1,0,0,1,0,0|0,0,0]=2 4268 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [1,0,0,1,0,0|1,0,0]=3 4269 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [1,0,0,1,0,0|1,0,0]=3 4270 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [1,0,0,1,0,0|1,0,0]=3 4271 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [1,0,0,1,0,0|1,0,0]=3 4272 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [1,0,0,1,0,0|1,0,0]=3 4273 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [1,0,0,1,0,0|1,0,0]=3 4274 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [1,0,0,1,0,0|1,0,0]=3 4275 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [1,0,0,1,0,0|1,0,0]=3 4276 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [1,0,0,1,0,0|1,0,0]=3 4277 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [1,0,0,1,0,0|1,0,0]=3 4278 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [1,0,0,1,0,0|1,0,0]=3 4279 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [1,0,0,1,0,0|1,0,0]=3 4280 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [1,0,0,1,0,0|1,0,0]=3 4281 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [1,0,0,1,0,0|1,0,0]=3 4282 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [1,0,0,1,0,0|1,0,0]=3 4283 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [1,0,0,1,0,0|1,0,0]=3 4284 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [1,0,0,1,0,0|1,0,0]=3 4285 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [1,0,0,1,0,0|1,0,0]=3 4286 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [1,0,0,1,0,0|1,0,0]=3 4287 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [1,0,0,1,0,0|1,0,0]=3 4288 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [1,0,0,1,0,0|1,0,0]=3 4289 B7R1.18 O=N(=O)C1CCC1 MCULE-1263563910 [1,0,0,1,0,0|1,0,1]=4 4290 B7R1.18 O=S([O-])C1CCC1 MCULE-2181260614 [1,0,0,1,0,0|1,0,1]=4 4291 B7R1.18 O=S([O-])C1CCC1 MCULE-5691798035 [1,0,0,1,0,0|1,0,1]=4 4292 B7R1.18 OB(O)C1CCC1 MCULE-3574521261 [1,0,0,1,0,0|1,0,1]=4 4293 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [0,0,0,1,1,0|2,0,0]=4 4294 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [0,0,0,1,1,0|1,0,0]=3 4295 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [0,0,0,1,1,0|2,0,0]=4 4296 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [0,0,0,1,1,0|2,0,0]=4 4297 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,0,0,1,1,0|2,0,0]=4 4298 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,0,0,1,1,0|2,0,0]=4 4299 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,0,0,1,1,0|2,0,0]=4 4300 B7R1.19 CC(O)C1(CC1)C MCULE-6644959738 [0,0,0,1,1,0|1,0,1]=4 4301 B7R1.19 CC1(CC1)B(O)O MCULE-4256202693 [0,0,0,1,1,0|1,0,1]=4 4302 B7R1.19 CC1(CC1)C(=N)N MCULE-1351695314 [0,0,0,1,1,0|2,0,0]=4 4303 B7R1.19 CC1(CC1)C(=N)N MCULE-5893769308 [0,0,0,1,1,0|2,0,0]=4 4304 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [0,0,0,1,1,0|1,0,0]=3 4305 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,0,0,1,1,0|1,0,0]=3 4306 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,0,0,1,1,0|0,0,0]=2 4307 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,0,0,1,1,0|1,0,0]=3 4308 B7R1.19 CC1(CS1)C(=O)N MCULE-5046393193 [0,0,0,1,1,0|2,0,0]=4 4309 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,0,0,1,1,0|2,0,0]=4 4310 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,0,0,1,1,0|2,0,0]=4 4311 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,0,0,1,1,0|2,0,0]=4 4312 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,0,0,1,1,0|2,0,0]=4 4313 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,0,0,1,1,0|2,0,0]=4 4314 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,0,0,1,1,0|2,0,0]=4 4315 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,0,0,1,1,0|1,0,0]=3 4316 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,0,0,1,1,0|1,0,0]=3 4317 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,0,0,1,1,0|1,0,0]=3 4318 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,0,0,1,1,0|1,0,0]=3 4319 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,0,0,1,1,0|1,0,0]=3 4320 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,0,0,1,1,0|1,0,0]=3 4321 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,0,0,1,1,0|1,0,0]=3 4322 B9R1.1 CCC1CCC(=O)CC1 MCULE-4419010963 [0,0,0,1,0,1|1,0,0]=3 4323 B9R1.1 CCC1CCC(CC1)O MCULE-8097752772 [0,0,0,1,0,1|1,0,1]=4 4324 B9R1.1 CCC1COC(CN1)C MCULE-1901675082 [0,0,0,1,0,1|1,0,1]=4 4325 B9R1.1 CCN1CCC(=O)CC1 MCULE-7687588927 [0,0,0,1,0,1|2,0,0]=4 4326 B9R1.1 CC[C@H]1CC[C@@H](CC1)O MCULE-2707983247 [0,0,0,1,0,1|1,0,1]=4 4327 B9R1.1 CC[C@H]1CC[C@H](CC1)O MCULE-2491233696 [0,0,0,1,0,1|1,0,1]=4 4328 B9R1.1 CNC1CCC(=O)CC1 MCULE-1156128032 [0,0,0,1,0,1|2,0,0]=4 4329 B9R1.1 CNC1CCC(=O)CC1 MCULE-3156763747 [0,0,0,1,0,1|2,0,0]=4 4330 B9R1.1 COC1CCC(=O)CC1 MCULE-7787037916 [0,0,0,1,0,1|2,0,0]=4 4331 B9R1.1 NCC1CCC(=O)CC1 MCULE-6777974410 [0,0,0,1,0,1|2,0,0]=4 4332 B9R1.1 NCC1CCC(=O)CC1 MCULE-8440793392 [0,0,0,1,0,1|2,0,0]=4 4333 B9R1.1 NCC1CCC(=O)NC1 MCULE-5893065665 [0,0,0,1,0,1|2,0,0]=4 4334 B9R1.1 NCC1CCC(=O)NC1 MCULE-9881642861 [0,0,0,1,0,1|2,0,0]=4 4335 B9R1.1 NCC1CNC(=O)CO1 MCULE-1373630821 [0,0,0,1,0,1|2,0,0]=4 4336 B9R1.1 NCC1CNC(=O)CO1 MCULE-2564136433 [0,0,0,1,0,1|2,0,0]=4 4337 B9R1.1 NC[C@H]1CCC(=O)NC1 MCULE-9489755430 [0,0,0,1,0,1|2,0,0]=4 4338 B9R1.1 O=C1CCC(CC1)CBr MCULE-8223349080 [0,0,0,1,0,1|2,0,0]=4 4339 B9R1.1 O=C1CCC(CC1)CF MCULE-2139942920 [0,0,0,1,0,1|2,0,0]=4 4340 B9R1.1 O=C1CCC(CC1)CO MCULE-4178685012 [0,0,0,1,0,1|2,0,0]=4 4341 B9R1.1 O=C1CCC(CN1)CBr MCULE-4686085649 [0,0,0,1,0,1|2,0,0]=4 4342 B9R1.1 O=C1CCC(CN1)CO MCULE-5019571847 [0,0,0,1,0,1|2,0,0]=4 4343 B9R1.1 O=C1CNC(CN1)CF MCULE-3284861757 [0,0,0,1,0,1|2,0,0]=4 4344 B9R1.1 O=C1COC(CN1)CBr MCULE-8897613695 [0,0,0,1,0,1|2,0,0]=4 4345 B9R1.1 O=C1COC(CN1)CO MCULE-3703451145 [0,0,0,1,0,1|2,0,0]=4 4346 B9R1.1 O=C1COC(CN1)CO MCULE-5925278805 [0,0,0,1,0,1|2,0,0]=4 4347 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-1871269946 [0,0,0,1,0,1|2,0,0]=4 4348 B9R1.1 O=C1CO[C@@H](CN1)CO MCULE-9723228936 [0,0,0,1,0,1|2,0,0]=4 4349 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-2317836867 [0,0,0,1,0,1|2,0,0]=4 4350 B9R1.1 O=C1CO[C@H](CN1)CO MCULE-9180023061 [0,0,0,1,0,1|2,0,0]=4 4351 B9R1.1 O=C1NCC(CN1)CO MCULE-7349716251 [0,0,0,1,0,1|2,0,0]=4 4352 B9R1.35 C1(CCC(=O)C1)C(=O)O MCULE-7485965564 [0,0,0,1,0,1|1,0,1]=4 4353 B9R1.35 C1(CCC(=O)O1)C(=O)O MCULE-6663255579 [0,0,0,1,0,1|1,0,1]=4 4354 B9R1.35 C1(CCN(C1)C(=O)C)O MCULE-2995435877 [0,0,0,1,0,1|2,0,0]=4 4355 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-6561840637 [0,0,0,1,0,1|1,0,0]=3 4356 B9R1.35 C1(CCN(C1)C)C(=O)O MCULE-7766846765 [0,0,0,1,0,1|1,0,0]=3 4357 B9R1.35 C=C1CCC(C1)C(=O)O MCULE-7982355069 [0,0,0,1,0,1|0,0,2]=4 4358 B9R1.35 CC(=O)C1CCN(C1)C MCULE-4293303594 [0,0,0,1,0,1|2,0,0]=4 4359 B9R1.35 CC(=O)N1CCC(C1)Br MCULE-8355936501 [0,0,0,1,0,1|2,0,0]=4 4360 B9R1.35 CC(=O)N1CCC(C1)Cl MCULE-6832350132 [0,0,0,1,0,1|2,0,0]=4 4361 B9R1.35 CC(=O)N1CCC(C1)I MCULE-8317311112 [0,0,0,1,0,1|2,0,0]=4 4362 B9R1.35 CC(=O)N1CCC(C1)N MCULE-4859899694 [0,0,0,1,0,1|2,0,0]=4 4363 B9R1.35 CC(=O)N1CCC(C1)N MCULE-5207016672 [0,0,0,1,0,1|2,0,0]=4 4364 B9R1.35 CC(=O)N1CCC(C1)O MCULE-4508537142 [0,0,0,1,0,1|2,0,0]=4 4365 B9R1.35 CC(=O)N1CC[C@@H](C1)Br MCULE-1322966275 [0,0,0,1,0,1|2,0,0]=4 4366 B9R1.35 CC(=O)N1CC[C@@H](C1)Cl MCULE-2029967624 [0,0,0,1,0,1|2,0,0]=4 4367 B9R1.35 CC(=O)N1CC[C@@H](C1)I MCULE-7320383470 [0,0,0,1,0,1|2,0,0]=4 4368 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-2398948421 [0,0,0,1,0,1|2,0,0]=4 4369 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-5902852942 [0,0,0,1,0,1|2,0,0]=4 4370 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-7792031754 [0,0,0,1,0,1|2,0,0]=4 4371 B9R1.35 CC(=O)N1CC[C@@H](C1)N MCULE-9501815600 [0,0,0,1,0,1|2,0,0]=4 4372 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-4145127323 [0,0,0,1,0,1|2,0,0]=4 4373 B9R1.35 CC(=O)N1CC[C@@H](C1)O MCULE-8205833952 [0,0,0,1,0,1|2,0,0]=4 4374 B9R1.35 CC(=O)N1CC[C@H](C1)Br MCULE-4315476515 [0,0,0,1,0,1|2,0,0]=4 4375 B9R1.35 CC(=O)N1CC[C@H](C1)Cl MCULE-4172580306 [0,0,0,1,0,1|2,0,0]=4 4376 B9R1.35 CC(=O)N1CC[C@H](C1)I MCULE-1825691667 [0,0,0,1,0,1|2,0,0]=4 4377 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-2775875761 [0,0,0,1,0,1|2,0,0]=4 4378 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-3800389790 [0,0,0,1,0,1|2,0,0]=4 4379 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-5934390450 [0,0,0,1,0,1|2,0,0]=4 4380 B9R1.35 CC(=O)N1CC[C@H](C1)N MCULE-6629805054 [0,0,0,1,0,1|2,0,0]=4 4381 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1031340554 [0,0,0,1,0,1|2,0,0]=4 4382 B9R1.35 CC(=O)N1CC[C@H](C1)O MCULE-1348897751 [0,0,0,1,0,1|2,0,0]=4 4383 B9R1.35 CC1=CC(SC1)C(=O)O MCULE-1599288333 [0,0,0,1,0,1|1,0,1]=4 4384 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-1278773172 [0,0,0,1,0,1|0,0,1]=3 4385 B9R1.35 CC1=NC(CC1)C(=O)O MCULE-5768248357 [0,0,0,1,0,1|0,0,1]=3 4386 B9R1.35 CC1=NC(CS1)C(=O)O MCULE-2658936955 [0,0,0,1,0,1|1,0,1]=4 4387 B9R1.35 CC1CC(=NO1)C(=O)O MCULE-8733803647 [0,0,0,1,0,1|2,0,0]=4 4388 B9R1.35 CC1CC(CO1)C(=O)O MCULE-6422706201 [0,0,0,1,0,1|1,0,0]=3 4389 B9R1.35 CC1CCC(C1)C(=O)O MCULE-5009837194 [0,0,0,1,0,1|0,0,0]=2 4390 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7716142893 [0,0,0,1,0,1|0,0,0]=2 4391 B9R1.35 CC1CCC(N1)C(=O)O MCULE-7805688291 [0,0,0,1,0,1|0,0,0]=2 4392 B9R1.35 CC1CCC(O1)C(=O)O MCULE-7354058760 [0,0,0,1,0,1|0,0,0]=2 4393 B9R1.35 CC1CCN(C1)C(=O)Cl MCULE-4918001156 [0,0,0,1,0,1|1,0,0]=3 4394 B9R1.35 CC1CNC(C1)C(=O)O MCULE-5999128275 [0,0,0,1,0,1|1,0,0]=3 4395 B9R1.35 CC1CNC(C1)C(=O)O MCULE-9035040660 [0,0,0,1,0,1|1,0,0]=3 4396 B9R1.35 CC1COC(C1)C(=O)O MCULE-4317519603 [0,0,0,1,0,1|1,0,0]=3 4397 B9R1.35 CC1NC(CS1)C(=O)O MCULE-3100233154 [0,0,0,1,0,1|1,0,0]=3 4398 B9R1.35 CC1N[C@H](CS1)C(=O)O MCULE-6392464999 [0,0,0,1,0,1|1,0,0]=3 4399 B9R1.35 CN1CCC(C1)C(=O)O MCULE-5724245212 [0,0,0,1,0,1|1,0,0]=3 4400 B9R1.35 CN1CCC(C1)C(=O)O MCULE-6263233064 [0,0,0,1,0,1|1,0,0]=3 4401 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1382244459 [0,0,0,1,0,1|1,0,0]=3 4402 B9R1.35 CN1CC[C@@H](C1)C(=O)O MCULE-1492032594 [0,0,0,1,0,1|1,0,0]=3 4403 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-1080921095 [0,0,0,1,0,1|1,0,0]=3 4404 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5145674459 [0,0,0,1,0,1|1,0,0]=3 4405 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-5820812779 [0,0,0,1,0,1|1,0,0]=3 4406 B9R1.35 CN1CC[C@H](C1)C(=O)O MCULE-7587726735 [0,0,0,1,0,1|1,0,0]=3 4407 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-1712610304 [0,0,0,1,0,1|0,0,0]=2 4408 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O MCULE-3564743814 [0,0,0,1,0,1|0,0,0]=2 4409 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-2451266259 [0,0,0,1,0,1|0,0,0]=2 4410 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O MCULE-9559412763 [0,0,0,1,0,1|0,0,0]=2 4411 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-1486502980 [0,0,0,1,0,1|0,0,0]=2 4412 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-2728269167 [0,0,0,1,0,1|0,0,0]=2 4413 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-4518040079 [0,0,0,1,0,1|0,0,0]=2 4414 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5687588737 [0,0,0,1,0,1|0,0,0]=2 4415 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-5969663507 [0,0,0,1,0,1|0,0,0]=2 4416 B9R1.35 C[C@@H]1CC[C@H](N1)C(=O)O MCULE-7325534692 [0,0,0,1,0,1|0,0,0]=2 4417 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1541572989 [0,0,0,1,0,1|1,0,0]=3 4418 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-1821254522 [0,0,0,1,0,1|1,0,0]=3 4419 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7426280517 [0,0,0,1,0,1|1,0,0]=3 4420 B9R1.35 C[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8599307960 [0,0,0,1,0,1|1,0,0]=3 4421 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3116688346 [0,0,0,1,0,1|0,0,0]=2 4422 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-3630959366 [0,0,0,1,0,1|0,0,0]=2 4423 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9043504063 [0,0,0,1,0,1|0,0,0]=2 4424 B9R1.35 C[C@H]1CC[C@@H](N1)C(=O)O MCULE-9322368857 [0,0,0,1,0,1|0,0,0]=2 4425 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-2036600768 [0,0,0,1,0,1|1,0,0]=3 4426 B9R1.35 C[C@H]1CN[C@@H](C1)C(=O)O MCULE-4646350445 [0,0,0,1,0,1|1,0,0]=3 4427 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-2974063836 [0,0,0,1,0,1|1,0,0]=3 4428 B9R1.35 C[C@H]1CN[C@H](C1)C(=O)O MCULE-7564386283 [0,0,0,1,0,1|1,0,0]=3 4429 B9R1.35 NC(=O)N1CCC(C1)N MCULE-1767398338 [0,0,0,1,0,1|2,0,0]=4 4430 B9R1.35 NC(=O)N1CCC(C1)N MCULE-2883297977 [0,0,0,1,0,1|2,0,0]=4 4431 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-7570889128 [0,0,0,1,0,1|2,0,0]=4 4432 B9R1.35 NC(=O)[C@@H]1CC[C@@H](C1)N MCULE-8629602486 [0,0,0,1,0,1|2,0,0]=4 4433 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-7944190057 [0,0,0,1,0,1|1,0,1]=4 4434 B9R1.35 NC1CC=C(C1)C(=O)O MCULE-9202589777 [0,0,0,1,0,1|1,0,1]=4 4435 B9R1.35 NC1CCC(C1)C(=O)O MCULE-1740452568 [0,0,0,1,0,1|1,0,0]=3 4436 B9R1.35 NC1CCC(C1)C(=O)O MCULE-4067702279 [0,0,0,1,0,1|1,0,0]=3 4437 B9R1.35 NC1CNC(C1)C(=O)O MCULE-1416144501 [0,0,0,1,0,1|2,0,0]=4 4438 B9R1.35 NC1CNC(C1)C(=O)O MCULE-4706388278 [0,0,0,1,0,1|2,0,0]=4 4439 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-1729778339 [0,0,0,1,0,1|1,0,0]=3 4440 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-2964730214 [0,0,0,1,0,1|1,0,0]=3 4441 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-6758665117 [0,0,0,1,0,1|1,0,0]=3 4442 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O MCULE-8002401712 [0,0,0,1,0,1|1,0,0]=3 4443 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-1941635524 [0,0,0,1,0,1|1,0,0]=3 4444 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-3306995596 [0,0,0,1,0,1|1,0,0]=3 4445 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-5728201062 [0,0,0,1,0,1|1,0,0]=3 4446 B9R1.35 N[C@@H]1CC[C@H](C1)C(=O)O MCULE-8515718052 [0,0,0,1,0,1|1,0,0]=3 4447 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-4990800122 [0,0,0,1,0,1|2,0,0]=4 4448 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-5172267597 [0,0,0,1,0,1|2,0,0]=4 4449 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-7010431429 [0,0,0,1,0,1|2,0,0]=4 4450 B9R1.35 N[C@@H]1CN[C@@H](C1)C(=O)O MCULE-8754522437 [0,0,0,1,0,1|2,0,0]=4 4451 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-4906071490 [0,0,0,1,0,1|2,0,0]=4 4452 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-7656739611 [0,0,0,1,0,1|2,0,0]=4 4453 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-8732136397 [0,0,0,1,0,1|2,0,0]=4 4454 B9R1.35 N[C@@H]1CN[C@H](C1)C(=O)O MCULE-9871023526 [0,0,0,1,0,1|2,0,0]=4 4455 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-3382663689 [0,0,0,1,0,1|1,0,0]=3 4456 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-7889100863 [0,0,0,1,0,1|1,0,0]=3 4457 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9213747671 [0,0,0,1,0,1|1,0,0]=3 4458 B9R1.35 N[C@H]1CC[C@@H](C1)C(=O)O MCULE-9781594017 [0,0,0,1,0,1|1,0,0]=3 4459 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1569946940 [0,0,0,1,0,1|1,0,0]=3 4460 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1675680486 [0,0,0,1,0,1|1,0,0]=3 4461 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-1903292573 [0,0,0,1,0,1|1,0,0]=3 4462 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6695566760 [0,0,0,1,0,1|1,0,0]=3 4463 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-6999679319 [0,0,0,1,0,1|1,0,0]=3 4464 B9R1.35 N[C@H]1CC[C@H](C1)C(=O)O MCULE-8009804408 [0,0,0,1,0,1|1,0,0]=3 4465 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1698400731 [0,0,0,1,0,1|2,0,0]=4 4466 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-1983861108 [0,0,0,1,0,1|2,0,0]=4 4467 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-2838978471 [0,0,0,1,0,1|2,0,0]=4 4468 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5103662767 [0,0,0,1,0,1|2,0,0]=4 4469 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-5299594489 [0,0,0,1,0,1|2,0,0]=4 4470 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-6235136925 [0,0,0,1,0,1|2,0,0]=4 4471 B9R1.35 N[C@H]1CN[C@@H](C1)C(=O)O MCULE-8629641721 [0,0,0,1,0,1|2,0,0]=4 4472 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-2973551231 [0,0,0,1,0,1|2,0,0]=4 4473 B9R1.35 N[C@H]1CN[C@H](C1)C(=O)O MCULE-3190600485 [0,0,0,1,0,1|2,0,0]=4 4474 B9R1.35 O=C(O)C1=CC(CC1)O MCULE-6046983646 [0,0,0,1,0,1|1,0,1]=4 4475 B9R1.35 O=C(O)C1CC(CN1)Br MCULE-3420644560 [0,0,0,1,0,1|2,0,0]=4 4476 B9R1.35 O=C(O)C1CC(CN1)F MCULE-1909829604 [0,0,0,1,0,1|2,0,0]=4 4477 B9R1.35 O=C(O)C1CC(CN1)F MCULE-4908563055 [0,0,0,1,0,1|2,0,0]=4 4478 B9R1.35 O=C(O)C1CC(CN1)O MCULE-3129945874 [0,0,0,1,0,1|2,0,0]=4 4479 B9R1.35 O=C(O)C1CC(CN1)O MCULE-5090896550 [0,0,0,1,0,1|2,0,0]=4 4480 B9R1.35 O=C(O)C1CC(CN1)S MCULE-3928449068 [0,0,0,1,0,1|2,0,0]=4 4481 B9R1.35 O=C(O)C1CC(CN1)S MCULE-7523385510 [0,0,0,1,0,1|2,0,0]=4 4482 B9R1.35 O=C(O)C1CCC(C1)Br MCULE-3893521468 [0,0,0,1,0,1|1,0,0]=3 4483 B9R1.35 O=C(O)C1CCC(C1)F MCULE-5981771251 [0,0,0,1,0,1|1,0,0]=3 4484 B9R1.35 O=C(O)C1CCC(C1)O MCULE-3301759971 [0,0,0,1,0,1|1,0,0]=3 4485 B9R1.35 O=C(O)C1OC(CS1)O MCULE-2827262093 [0,0,0,1,0,1|2,0,0]=4 4486 B9R1.35 O=C(O)[C@@H]1CC(CN1)O MCULE-9602889253 [0,0,0,1,0,1|2,0,0]=4 4487 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6078892837 [0,0,0,1,0,1|2,0,0]=4 4488 B9R1.35 O=C(O)[C@@H]1CC(CN1)S MCULE-6607761456 [0,0,0,1,0,1|2,0,0]=4 4489 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-2017780821 [0,0,0,1,0,1|1,0,0]=3 4490 B9R1.35 O=C(O)[C@@H]1CC[C@@H](C1)O MCULE-8789755356 [0,0,0,1,0,1|1,0,0]=3 4491 B9R1.35 O=C(O)[C@@H]1CC[C@H](C1)O MCULE-6133795580 [0,0,0,1,0,1|1,0,0]=3 4492 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-2600938020 [0,0,0,1,0,1|2,0,0]=4 4493 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)Br MCULE-3945615781 [0,0,0,1,0,1|2,0,0]=4 4494 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-2626475344 [0,0,0,1,0,1|2,0,0]=4 4495 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-4367319835 [0,0,0,1,0,1|2,0,0]=4 4496 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9011373659 [0,0,0,1,0,1|2,0,0]=4 4497 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)F MCULE-9484602400 [0,0,0,1,0,1|2,0,0]=4 4498 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-2778155463 [0,0,0,1,0,1|2,0,0]=4 4499 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3005368457 [0,0,0,1,0,1|2,0,0]=4 4500 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-3510440810 [0,0,0,1,0,1|2,0,0]=4 4501 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-6982589556 [0,0,0,1,0,1|2,0,0]=4 4502 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O MCULE-8797295826 [0,0,0,1,0,1|2,0,0]=4 4503 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-5195240463 [0,0,0,1,0,1|2,0,0]=4 4504 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6442187313 [0,0,0,1,0,1|2,0,0]=4 4505 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-6472004515 [0,0,0,1,0,1|2,0,0]=4 4506 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)S MCULE-8668690351 [0,0,0,1,0,1|2,0,0]=4 4507 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-2784186920 [0,0,0,1,0,1|2,0,0]=4 4508 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-5745425542 [0,0,0,1,0,1|2,0,0]=4 4509 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9253930917 [0,0,0,1,0,1|2,0,0]=4 4510 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)F MCULE-9892414269 [0,0,0,1,0,1|2,0,0]=4 4511 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-4157512603 [0,0,0,1,0,1|2,0,0]=4 4512 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-5389747201 [0,0,0,1,0,1|2,0,0]=4 4513 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-6465399562 [0,0,0,1,0,1|2,0,0]=4 4514 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O MCULE-7830616263 [0,0,0,1,0,1|2,0,0]=4 4515 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-1140594774 [0,0,0,1,0,1|2,0,0]=4 4516 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2383846785 [0,0,0,1,0,1|2,0,0]=4 4517 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-2747224270 [0,0,0,1,0,1|2,0,0]=4 4518 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-5598470577 [0,0,0,1,0,1|2,0,0]=4 4519 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-7268471922 [0,0,0,1,0,1|2,0,0]=4 4520 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)S MCULE-9896850390 [0,0,0,1,0,1|2,0,0]=4 4521 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-3061487094 [0,0,0,1,0,1|1,0,0]=3 4522 B9R1.35 O=C(O)[C@H]1CC[C@@H](C1)O MCULE-8079944181 [0,0,0,1,0,1|1,0,0]=3 4523 B9R1.35 O=C(O)[C@H]1CC[C@H](C1)O MCULE-2713143734 [0,0,0,1,0,1|1,0,0]=3 4524 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-1499004749 [0,0,0,1,0,1|2,0,0]=4 4525 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-4961028667 [0,0,0,1,0,1|2,0,0]=4 4526 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)F MCULE-9323854334 [0,0,0,1,0,1|2,0,0]=4 4527 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1222229718 [0,0,0,1,0,1|2,0,0]=4 4528 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-1998693022 [0,0,0,1,0,1|2,0,0]=4 4529 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-3836053642 [0,0,0,1,0,1|2,0,0]=4 4530 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-4545441904 [0,0,0,1,0,1|2,0,0]=4 4531 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O MCULE-8358409700 [0,0,0,1,0,1|2,0,0]=4 4532 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-1326882154 [0,0,0,1,0,1|2,0,0]=4 4533 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-4409765623 [0,0,0,1,0,1|2,0,0]=4 4534 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-5169579313 [0,0,0,1,0,1|2,0,0]=4 4535 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)F MCULE-8834390438 [0,0,0,1,0,1|2,0,0]=4 4536 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-3080568728 [0,0,0,1,0,1|2,0,0]=4 4537 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-4521316626 [0,0,0,1,0,1|2,0,0]=4 4538 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-5972935636 [0,0,0,1,0,1|2,0,0]=4 4539 B9R1.35 O=C(O)[C@H]1C[C@H](CN1)O MCULE-7908625938 [0,0,0,1,0,1|2,0,0]=4 4540 B9R1.35 O=C1CCC(C1)C(=O)O MCULE-8715651663 [0,0,0,1,0,1|1,0,1]=4 4541 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-4175874303 [0,0,0,1,0,1|1,0,1]=4 4542 B9R1.35 O=C1CCC(N1)C(=O)O MCULE-9028773140 [0,0,0,1,0,1|1,0,1]=4 4543 B9R1.35 O=C1CCC(O1)C(=O)O MCULE-1992756541 [0,0,0,1,0,1|1,0,1]=4 4544 B9R1.35 O=C1CCC(S1)C(=O)O MCULE-8929436839 [0,0,0,1,0,1|1,0,1]=4 4545 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-1554776363 [0,0,0,1,0,1|1,0,1]=4 4546 B9R1.35 O=C1CC[C@@H](C1)C(=O)O MCULE-4649943680 [0,0,0,1,0,1|1,0,1]=4 4547 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-5900221010 [0,0,0,1,0,1|1,0,1]=4 4548 B9R1.35 O=C1CC[C@@H](N1)C(=O)O MCULE-8170238114 [0,0,0,1,0,1|1,0,1]=4 4549 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-1446049605 [0,0,0,1,0,1|1,0,1]=4 4550 B9R1.35 O=C1CC[C@@H](O1)C(=O)O MCULE-6745317325 [0,0,0,1,0,1|1,0,1]=4 4551 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-6597072682 [0,0,0,1,0,1|1,0,1]=4 4552 B9R1.35 O=C1CC[C@H](C1)C(=O)O MCULE-7880064966 [0,0,0,1,0,1|1,0,1]=4 4553 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4204877494 [0,0,0,1,0,1|1,0,1]=4 4554 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-4908547112 [0,0,0,1,0,1|1,0,1]=4 4555 B9R1.35 O=C1CC[C@H](N1)C(=O)O MCULE-6422141688 [0,0,0,1,0,1|1,0,1]=4 4556 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-5669975621 [0,0,0,1,0,1|1,0,1]=4 4557 B9R1.35 O=C1CC[C@H](O1)C(=O)O MCULE-7113736527 [0,0,0,1,0,1|1,0,1]=4 4558 B9R1.35 O=C1CC[C@H](S1)C(=O)O MCULE-4843749267 [0,0,0,1,0,1|1,0,1]=4 4559 B9R1.35 [C@@H]1(CN[C@H](C1)C(=O)O)O MCULE-3075663401 [0,0,0,1,0,1|2,0,0]=4 4560 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-1734860042 [0,0,0,1,0,1|1,0,0]=3 4561 B9R1.35 [C@H]1(CC[C@H](C1)C(=O)O)N MCULE-3698574567 [0,0,0,1,0,1|1,0,0]=3 4562 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-1784559931 [0,0,0,1,0,1|2,0,0]=4 4563 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)F MCULE-8392302309 [0,0,0,1,0,1|2,0,0]=4 4564 B9R1.35 [C@H]1(CN[C@@H](C1)C(=O)O)S MCULE-7662717521 [0,0,0,1,0,1|2,0,0]=4 4565 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-2026019561 [0,0,0,1,0,1|2,0,0]=4 4566 B9R1.35 [C@H]1(CN[C@H](C1)C(=O)O)F MCULE-8023038198 [0,0,0,1,0,1|2,0,0]=4 4567 B9R1.35 [C@H]1(C[C@H](CN1)O)C(=O)O MCULE-3462627258 [0,0,0,1,0,1|2,0,0]=4 4568 B9R1.49 CC1CCCC(=O)CC1 MCULE-8026581790 [0,0,0,1,0,1|1,0,0]=3 4569 B9R1.49 CC1CCNC(=O)CC1 MCULE-4158970437 [0,0,0,1,0,1|1,0,0]=3 4570 B9R1.49 CC1CNC(=O)CCN1 MCULE-4770101901 [0,0,0,1,0,1|2,0,0]=4 4571 B9R1.49 CC1CNC(=O)CCN1 MCULE-5299288950 [0,0,0,1,0,1|2,0,0]=4 4572 B9R1.49 CN1CCCC(=O)CC1 MCULE-1607887623 [0,0,0,1,0,1|2,0,0]=4 4573 B9R1.49 CN1CCCC(=O)CC1 MCULE-9380092932 [0,0,0,1,0,1|2,0,0]=4 4574 B9R1.49 CN1CCNC(=O)CC1 MCULE-4386852783 [0,0,0,1,0,1|2,0,0]=4 4575 B9R1.49 CN1CCNC(=O)CC1 MCULE-7599377981 [0,0,0,1,0,1|2,0,0]=4 4576 B9R1.49 NC1CCCC(=O)NC1 MCULE-1344459585 [0,0,0,1,0,1|2,0,0]=4 4577 B9R1.49 NC1CCCC(=O)NC1 MCULE-1546951296 [0,0,0,1,0,1|2,0,0]=4 4578 B9R1.49 NC1CCNC(=O)CC1 MCULE-5608507579 [0,0,0,1,0,1|2,0,0]=4 4579 B9R1.49 NC1CCNC(=O)CC1 MCULE-7880148448 [0,0,0,1,0,1|2,0,0]=4 4580 B9R1.49 O=C1CCCC(CC1)F MCULE-3071750497 [0,0,0,1,0,1|2,0,0]=4 4581 B9R1.49 O=C1CCCC(CN1)O MCULE-2883103344 [0,0,0,1,0,1|2,0,0]=4 4582 B9R1.69 CC1CC(=O)CCC1O MCULE-7552412875 [0,0,0,1,0,1|2,0,0]=4 4583 B9R1.69 CC1CC(=O)CCN1C MCULE-7342530598 [0,0,0,1,0,1|2,0,0]=4 4584 B9R1.69 CC1CCC(=O)CC1C MCULE-5304188182 [0,0,0,1,0,1|1,0,0]=3 4585 B9R1.69 CC1CCC(CC1C)O MCULE-6171532647 [0,0,0,1,0,1|1,0,1]=4 4586 B9R1.69 CC1CNC(C(O1)C)C MCULE-7872244038 [0,0,0,1,0,1|1,0,1]=4 4587 B9R1.69 CC1NC(=O)CCC1N MCULE-2884344617 [0,0,0,1,0,1|2,0,0]=4 4588 B9R1.69 CC1NC(=O)CCC1O MCULE-3879531993 [0,0,0,1,0,1|2,0,0]=4 4589 B9R1.69 CC1OC(=O)COC1=O MCULE-8718960339 [0,0,0,1,0,1|1,0,1]=4 4590 B9R1.69 CC1SCC(=O)OC1=O MCULE-4179176992 [0,0,0,1,0,1|1,0,1]=4 4591 B9R1.69 C[C@@H]1CC(=O)CC[C@@H]1O MCULE-8675773780 [0,0,0,1,0,1|2,0,0]=4 4592 B9R1.69 C[C@H]1CC(=O)CC[C@@H]1O MCULE-5873948412 [0,0,0,1,0,1|2,0,0]=4 4593 B9R1.84 CC(=O)NCC1CNC1 MCULE-2902079896 [0,0,0,1,0,1|2,0,0]=4 4594 B9R1.84 CC(=O)NCC1CNC1 MCULE-8064528419 [0,0,0,1,0,1|2,0,0]=4 4595 B9R1.84 NC(=S)NCC1CCC1 MCULE-7506306285 [0,0,0,1,0,1|1,1,0]=4 4596 B9R1.84 O=C(O)/C=C/C1CCC1 MCULE-9431961317 [0,0,0,1,0,1|0,0,1]=3 4597 B9R1.84 O=C(O)C#CC1CCC1 MCULE-8110230761 [0,0,0,1,0,1|0,0,1]=3 4598 B9R1.84 O=C(O)C=CC1CCC1 MCULE-9173078337 [0,0,0,1,0,1|0,0,1]=3 4599 B9R1.84 O=C(O)CCC1CCC1 MCULE-5780532364 [0,0,0,1,0,1|0,0,0]=2 4600 B9R1.84 O=C(O)CCN1CCC1 MCULE-6537917818 [0,0,0,1,0,1|1,0,0]=3 4601 B9R1.84 O=C(O)CNC1CCC1 MCULE-3999560243 [0,0,0,1,0,1|0,0,0]=2 4602 B9R1.84 O=C(O)CNC1COC1 MCULE-3211874256 [0,0,0,1,0,1|1,0,0]=3 4603 B9R1.84 O=C(O)CNC1COC1 MCULE-8317257994 [0,0,0,1,0,1|1,0,0]=3 4604 B9R1.84 O=C(O)COC1CCC1 MCULE-3354883487 [0,0,0,1,0,1|0,0,0]=2 4605 B9R1.84 O=C(O)COC1CNC1 MCULE-6412418210 [0,0,0,1,0,1|1,0,0]=3 4606 B9R1.84 O=C([O-])CCN1CCC1 MCULE-8406428888 [0,0,0,1,0,1|1,0,1]=4 4607 B9R1.84 O=N(=O)CCC1CCC1 MCULE-8361883109 [0,0,0,1,0,1|1,0,1]=4 4608 B9R1.86 CCC1CC1CC(=O)O MCULE-9659162510 [0,0,0,1,0,1|0,0,0]=2 4609 B9R1.95 CC(=O)N1CC(C1)CN MCULE-7914814524 [0,0,0,1,0,1|2,0,0]=4 4610 B9R1.95 CC(=O)N1CC(C1)CN MCULE-9875135935 [0,0,0,1,0,1|2,0,0]=4 4611 B9R1.95 CC(=O)N1CC(C1)CO MCULE-9848922086 [0,0,0,1,0,1|2,0,0]=4 4612 B9R1.95 CCC1CC(C1)C(=O)O MCULE-4399154195 [0,0,0,1,0,1|0,0,0]=2 4613 B9R1.95 CCC1CC(C1)C(=O)O MCULE-6408590394 [0,0,0,1,0,1|0,0,0]=2 4614 B9R1.95 CCN1CC(C1)C(=O)O MCULE-3132525132 [0,0,0,1,0,1|1,0,0]=3 4615 B9R1.95 CNC1CC(C1)C(=O)O MCULE-1477649750 [0,0,0,1,0,1|1,0,0]=3 4616 B9R1.95 CNC1CC(C1)C(=O)O MCULE-2034598338 [0,0,0,1,0,1|1,0,0]=3 4617 B9R1.95 CNC1CN(C1)C(=O)C MCULE-1726602772 [0,0,0,1,0,1|2,0,0]=4 4618 B9R1.95 CNC1CN(C1)C(=O)C MCULE-3939006603 [0,0,0,1,0,1|2,0,0]=4 4619 B9R1.95 COC1CC(C1)C(=O)C MCULE-5091337590 [0,0,0,1,0,1|2,0,0]=4 4620 B9R1.95 COC1CC(C1)C(=O)O MCULE-8232247707 [0,0,0,1,0,1|1,0,0]=3 4621 B9R1.95 COC1CN(C1)C(=O)Cl MCULE-4154655930 [0,0,0,1,0,1|2,0,0]=4 4622 B9R1.95 CO[C@H]1C[C@@H](C1)C(=O)O MCULE-4399635730 [0,0,0,1,0,1|1,0,0]=3 4623 B9R1.95 CO[C@H]1C[C@H](C1)C(=O)O MCULE-1315313306 [0,0,0,1,0,1|1,0,0]=3 4624 B9R1.95 N#CC1CC(C1)C(=O)O MCULE-9043105457 [0,0,0,1,0,1|1,0,1]=4 4625 B9R1.95 NCC1CC(C1)C(=O)O MCULE-5139246766 [0,0,0,1,0,1|1,0,0]=3 4626 B9R1.95 NCC1CC(C1)C(=O)O MCULE-9472863522 [0,0,0,1,0,1|1,0,0]=3 4627 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-5593414975 [0,0,0,1,0,1|1,0,0]=3 4628 B9R1.95 NC[C@H]1C[C@H](C1)C(=O)O MCULE-9152509638 [0,0,0,1,0,1|1,0,0]=3 4629 B9R1.95 O=C(O)C1CC(C1)CBr MCULE-6774883657 [0,0,0,1,0,1|1,0,0]=3 4630 B9R1.95 O=C(O)C1CC(C1)CF MCULE-2946863798 [0,0,0,1,0,1|1,0,0]=3 4631 B9R1.95 O=C(O)C1CC(C1)CO MCULE-8568823768 [0,0,0,1,0,1|1,0,0]=3 4632 B9R1.95 O=C(O)[C@H]1C[C@@H](C1)CO MCULE-5347571520 [0,0,0,1,0,1|1,0,0]=3 4633 B9R1.95 O=C(O)[C@H]1C[C@H](C1)CO MCULE-6623890968 [0,0,0,1,0,1|1,0,0]=3 4634 B9R1.95 O=C([O-])[C@H]1C[C@@H](C1)CO MCULE-8717273234 [0,0,0,1,0,1|1,0,1]=4 4635 B9R1.125 C=CC1(CCC(=O)O1)C MCULE-6337213328 [0,0,0,1,0,1|0,0,2]=4 4636 B9R1.125 CC1(CCC(=O)N1)CN MCULE-5027285094 [0,0,0,1,0,1|2,0,0]=4 4637 B9R1.125 CC1(CCC(=O)N1)CN MCULE-6327832088 [0,0,0,1,0,1|2,0,0]=4 4638 B9R1.125 CC1(CCC(=O)N1)CO MCULE-9700105207 [0,0,0,1,0,1|2,0,0]=4 4639 B9R1.125 CC1(CNC(=O)C1)CO MCULE-1633429143 [0,0,0,1,0,1|2,0,0]=4 4640 B9R1.125 CC1(COC(=O)C1)CO MCULE-2278000717 [0,0,0,1,0,1|2,0,0]=4 4641 B9R1.125 CC1(COC(=O)N1)CI MCULE-2242952890 [0,0,0,1,0,1|2,0,0]=4 4642 B9R1.125 CC1(COC(=O)N1)CN MCULE-6928291098 [0,0,0,1,0,1|2,0,0]=4 4643 B9R1.125 CC1(COC(=O)N1)CO MCULE-7873521103 [0,0,0,1,0,1|2,0,0]=4 4644 B9R1.125 CCC1(CCC(=O)O1)C MCULE-1533992852 [0,0,0,1,0,1|0,0,0]=2 4645 B9R1.125 CCC1(CNC(=O)C1)C MCULE-9614797023 [0,0,0,1,0,1|1,0,0]=3 4646 B9R1.127 CCC1(CC1C(=O)O)C MCULE-5907126944 [0,0,0,1,0,1|0,0,0]=2 4647 B9R1.147 CC1(CC1)C#CC(=O)O MCULE-2641710313 [0,0,0,1,0,1|0,0,1]=3 4648 B9R1.147 CC1(CC1)CCC(=O)O MCULE-7141144115 [0,0,0,1,0,1|0,0,0]=2 4649 B9R1.147 CC1(N=N1)CCC(=O)O MCULE-3120941504 [0,0,0,1,0,1|2,0,0]=4 4650 B9R1.147 O=C(O)CCC1(CC1)O MCULE-2890628610 [0,0,0,1,0,1|1,0,0]=3 4651 B9R1.3 CC1C(=O)NCCN1C MCULE-4438877653 [0,1,0,1,0,0|2,0,0]=4 4652 B9R1.3 CC1C(=O)NCCN1C MCULE-5252043587 [0,1,0,1,0,0|2,0,0]=4 4653 B9R1.3 CC1CCCC(=O)C1=O MCULE-3677088238 [0,1,0,1,0,0|1,0,1]=4 4654 B9R1.3 CC1CCCC(=O)C1C MCULE-1705022712 [0,1,0,1,0,0|1,0,0]=3 4655 B9R1.3 CC1CCCC(C1C)O MCULE-1285216829 [0,1,0,1,0,0|1,0,1]=4 4656 B9R1.3 CC1CCNC(=O)C1N MCULE-8466322754 [0,1,0,1,0,0|1,0,0]=3 4657 B9R1.3 O=C1NCCC(C1Cl)O MCULE-3547246755 [0,1,0,1,0,0|2,0,0]=4 4658 B9R1.3 O=C1NCC[C@H]([C@@H]1Cl)O MCULE-4122559640 [0,1,0,1,0,0|2,0,0]=4 4659 B9R1.37 CC1=C(C(=O)CC1C)O MCULE-3677110376 [0,1,0,1,0,0|0,0,1]=3 4660 B9R1.37 CC1=C(C(=O)OC1C)O MCULE-8685541679 [0,1,0,1,0,0|0,0,2]=4 4661 B9R1.37 CC1=C(C(OC1=O)C)C MCULE-1587463592 [0,1,0,1,0,0|0,0,2]=4 4662 B9R1.37 CC1C(=O)OC(=O)C1C MCULE-1136120780 [0,1,0,1,0,0|1,0,1]=4 4663 B9R1.37 CC1C(CC(=O)N1C)O MCULE-1269195673 [0,1,0,1,0,0|2,0,0]=4 4664 B9R1.37 CC1CC(=O)C(=O)C1C MCULE-1553900326 [0,1,0,1,0,0|0,0,1]=3 4665 B9R1.37 CC1CN(C(=O)C1N)O MCULE-1541937372 [0,1,0,1,0,0|2,0,0]=4 4666 B9R1.37 CC1CN(C(=O)C1N)O MCULE-3876251131 [0,1,0,1,0,0|2,0,0]=4 4667 B9R1.37 CC1OC(=O)C(C1O)O MCULE-1862325809 [0,1,0,1,0,0|1,0,0]=3 4668 B9R1.37 CC1OC(C(C1C)N)C MCULE-6300493082 [0,1,0,1,0,0|1,0,1]=4 4669 B9R1.37 CC1OC(C(C1C)N)C MCULE-8122167979 [0,1,0,1,0,0|1,0,1]=4 4670 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-1789519376 [0,1,0,1,0,0|2,0,0]=4 4671 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-4750685085 [0,1,0,1,0,0|2,0,0]=4 4672 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7635519729 [0,1,0,1,0,0|2,0,0]=4 4673 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-7984264167 [0,1,0,1,0,0|2,0,0]=4 4674 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8015807838 [0,1,0,1,0,0|2,0,0]=4 4675 B9R1.37 C[C@@H]1CN(C(=O)[C@@H]1N)O MCULE-8810381823 [0,1,0,1,0,0|2,0,0]=4 4676 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1I)O MCULE-8523724511 [0,1,0,1,0,0|1,0,0]=3 4677 B9R1.37 C[C@@H]1OC(=O)[C@@H]([C@H]1O)O MCULE-3554272195 [0,1,0,1,0,0|1,0,0]=3 4678 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6099115683 [0,1,0,1,0,0|2,0,0]=4 4679 B9R1.37 C[C@H]1CN(C(=O)[C@H]1N)O MCULE-6659955179 [0,1,0,1,0,0|2,0,0]=4 4680 B9R1.41 C1(CCCN1C)C(=O)O MCULE-7988130618 [0,1,0,1,0,0|1,0,0]=3 4681 B9R1.41 CC1=C(CCC1)C(=O)O MCULE-4166872703 [0,1,0,1,0,0|0,0,2]=4 4682 B9R1.41 CC1=C(CCO1)C(=O)O MCULE-2847123201 [0,1,0,1,0,0|0,0,2]=4 4683 B9R1.41 CC1CCCC1C(=O)O MCULE-5150428001 [0,1,0,1,0,0|0,0,0]=2 4684 B9R1.41 CC1CCNC1C(=O)O MCULE-3835684911 [0,1,0,1,0,0|0,0,0]=2 4685 B9R1.41 CC1CCNC1C(=O)O MCULE-8361777649 [0,1,0,1,0,0|0,0,0]=2 4686 B9R1.41 CC1CNCC1C(=O)O MCULE-1581522558 [0,1,0,1,0,0|0,0,0]=2 4687 B9R1.41 CC1CNCC1C(=O)O MCULE-6848551085 [0,1,0,1,0,0|0,0,0]=2 4688 B9R1.41 CC1NCCC1C(=O)O MCULE-5042669811 [0,1,0,1,0,0|0,0,0]=2 4689 B9R1.41 CC1NCCC1C(=O)O MCULE-8546677468 [0,1,0,1,0,0|0,0,0]=2 4690 B9R1.41 CC1OCCC1C(=O)O MCULE-4181521736 [0,1,0,1,0,0|0,0,0]=2 4691 B9R1.41 CN1CC=CC1C(=O)O MCULE-5525753116 [0,1,0,1,0,0|1,0,1]=4 4692 B9R1.41 CN1CC=CC1C(=O)O MCULE-8585806688 [0,1,0,1,0,0|1,0,1]=4 4693 B9R1.41 CN1CCCC1C(=O)N MCULE-1474656837 [0,1,0,1,0,0|2,0,0]=4 4694 B9R1.41 CN1CCCC1C(=O)O MCULE-4884381644 [0,1,0,1,0,0|1,0,0]=3 4695 B9R1.41 CN1CCCC1C(=O)O MCULE-6241162207 [0,1,0,1,0,0|1,0,0]=3 4696 B9R1.41 CN1CCCC1C(=O)O MCULE-7232060205 [0,1,0,1,0,0|1,0,0]=3 4697 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1129223179 [0,1,0,1,0,0|2,0,0]=4 4698 B9R1.41 CN1CCC[C@@H]1C(=O)N MCULE-1418743058 [0,1,0,1,0,0|2,0,0]=4 4699 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-3947573313 [0,1,0,1,0,0|1,0,0]=3 4700 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-4168419254 [0,1,0,1,0,0|1,0,0]=3 4701 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-6504349835 [0,1,0,1,0,0|1,0,0]=3 4702 B9R1.41 CN1CCC[C@@H]1C(=O)O MCULE-9943329201 [0,1,0,1,0,0|1,0,0]=3 4703 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-1155656545 [0,1,0,1,0,0|2,0,0]=4 4704 B9R1.41 CN1CCC[C@H]1C(=O)N MCULE-5987152150 [0,1,0,1,0,0|2,0,0]=4 4705 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-1661156416 [0,1,0,1,0,0|1,0,0]=3 4706 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-2535799805 [0,1,0,1,0,0|1,0,0]=3 4707 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-3283459585 [0,1,0,1,0,0|1,0,0]=3 4708 B9R1.41 CN1CCC[C@H]1C(=O)O MCULE-5506159927 [0,1,0,1,0,0|1,0,0]=3 4709 B9R1.41 CN1CSCC1C(=O)O MCULE-6053778396 [0,1,0,1,0,0|1,0,0]=3 4710 B9R1.41 CN1CSCC1C(=O)O MCULE-8768199445 [0,1,0,1,0,0|1,0,0]=3 4711 B9R1.41 CN1CSC[C@@H]1C(=O)O MCULE-9390031358 [0,1,0,1,0,0|1,0,0]=3 4712 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-2295281512 [0,1,0,1,0,0|1,0,0]=3 4713 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-3344236668 [0,1,0,1,0,0|1,0,0]=3 4714 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-6116857567 [0,1,0,1,0,0|1,0,0]=3 4715 B9R1.41 CN1CSC[C@H]1C(=O)O MCULE-7315008971 [0,1,0,1,0,0|1,0,0]=3 4716 B9R1.41 C[C@@H]1CCN[C@@H]1C(=O)O MCULE-6239309390 [0,1,0,1,0,0|0,0,0]=2 4717 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-1608471752 [0,1,0,1,0,0|0,0,0]=2 4718 B9R1.41 C[C@@H]1CCN[C@H]1C(=O)O MCULE-2896759092 [0,1,0,1,0,0|0,0,0]=2 4719 B9R1.41 C[C@@H]1CCO[C@H]1C(=O)O MCULE-5338216485 [0,1,0,1,0,0|0,0,0]=2 4720 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-3425733853 [0,1,0,1,0,0|0,0,0]=2 4721 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)O MCULE-5424989009 [0,1,0,1,0,0|0,0,0]=2 4722 B9R1.41 C[C@@H]1NCC[C@@H]1C(=O)O MCULE-1674735474 [0,1,0,1,0,0|0,0,0]=2 4723 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-8959062032 [0,1,0,1,0,0|0,0,0]=2 4724 B9R1.41 C[C@@H]1NCC[C@H]1C(=O)O MCULE-9340754868 [0,1,0,1,0,0|0,0,0]=2 4725 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4624227681 [0,1,0,1,0,0|0,0,0]=2 4726 B9R1.41 C[C@@H]1OCC[C@@H]1C(=O)O MCULE-4653588182 [0,1,0,1,0,0|0,0,0]=2 4727 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-1694933393 [0,1,0,1,0,0|0,0,0]=2 4728 B9R1.41 C[C@H]1CCN[C@@H]1C(=O)O MCULE-9088637113 [0,1,0,1,0,0|0,0,0]=2 4729 B9R1.41 C[C@H]1CCN[C@H]1C(=O)O MCULE-1449988566 [0,1,0,1,0,0|0,0,0]=2 4730 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-3190006541 [0,1,0,1,0,0|0,0,0]=2 4731 B9R1.41 C[C@H]1NCC[C@@H]1C(=O)O MCULE-7835079063 [0,1,0,1,0,0|0,0,0]=2 4732 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-1189864899 [0,1,0,1,0,0|0,0,0]=2 4733 B9R1.41 C[C@H]1NCC[C@H]1C(=O)O MCULE-8012665255 [0,1,0,1,0,0|0,0,0]=2 4734 B9R1.41 NC(=O)C1CCCC1N MCULE-5593863466 [0,1,0,1,0,0|2,0,0]=4 4735 B9R1.41 NC(=O)C1CCCC1N MCULE-7208597206 [0,1,0,1,0,0|2,0,0]=4 4736 B9R1.41 NC(=O)C1NCCC1O MCULE-1947851170 [0,1,0,1,0,0|2,0,0]=4 4737 B9R1.41 NC(=O)C1NCCC1O MCULE-8983481897 [0,1,0,1,0,0|2,0,0]=4 4738 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-1275176642 [0,1,0,1,0,0|2,0,0]=4 4739 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2107283008 [0,1,0,1,0,0|2,0,0]=4 4740 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-2865532845 [0,1,0,1,0,0|2,0,0]=4 4741 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1N MCULE-3874121291 [0,1,0,1,0,0|2,0,0]=4 4742 B9R1.41 NC(=O)[C@@H]1CCC[C@@H]1O MCULE-7290076922 [0,1,0,1,0,0|2,0,0]=4 4743 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-1119399523 [0,1,0,1,0,0|2,0,0]=4 4744 B9R1.41 NC(=O)[C@H]1NCC[C@@H]1O MCULE-4733398267 [0,1,0,1,0,0|2,0,0]=4 4745 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8085547151 [0,1,0,1,0,0|2,0,0]=4 4746 B9R1.41 NC(=O)[C@H]1NCC[C@H]1O MCULE-8491779714 [0,1,0,1,0,0|2,0,0]=4 4747 B9R1.41 NC1C=CCC1C(=O)O MCULE-8527386281 [0,1,0,1,0,0|1,0,1]=4 4748 B9R1.41 NC1C=CCC1C(=O)O MCULE-8529743719 [0,1,0,1,0,0|1,0,1]=4 4749 B9R1.41 NC1CCCC1C(=O)O MCULE-4916984038 [0,1,0,1,0,0|1,0,0]=3 4750 B9R1.41 NC1CCCC1C(=O)O MCULE-7220342321 [0,1,0,1,0,0|1,0,0]=3 4751 B9R1.41 NC1CCNC1C(=O)O MCULE-3789976956 [0,1,0,1,0,0|1,0,0]=3 4752 B9R1.41 NC1CCNC1C(=O)O MCULE-5356536056 [0,1,0,1,0,0|1,0,0]=3 4753 B9R1.41 NC1CNCC1C(=O)O MCULE-1244086282 [0,1,0,1,0,0|1,0,0]=3 4754 B9R1.41 NC1COCC1C(=O)O MCULE-7325840275 [0,1,0,1,0,0|1,0,0]=3 4755 B9R1.41 NC1COCC1C(=O)O MCULE-9068897815 [0,1,0,1,0,0|1,0,0]=3 4756 B9R1.41 NN1CCCC1C(=O)O MCULE-1374834183 [0,1,0,1,0,0|2,0,0]=4 4757 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-3446631182 [0,1,0,1,0,0|1,0,0]=3 4758 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-4537266002 [0,1,0,1,0,0|1,0,0]=3 4759 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9091292908 [0,1,0,1,0,0|1,0,0]=3 4760 B9R1.41 N[C@@H]1CCC[C@@H]1C(=O)O MCULE-9780104108 [0,1,0,1,0,0|1,0,0]=3 4761 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-1397305924 [0,1,0,1,0,0|1,0,0]=3 4762 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-5447983159 [0,1,0,1,0,0|1,0,0]=3 4763 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-6345808896 [0,1,0,1,0,0|1,0,0]=3 4764 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O MCULE-7658809060 [0,1,0,1,0,0|1,0,0]=3 4765 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-1080605796 [0,1,0,1,0,0|1,0,0]=3 4766 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5666272526 [0,1,0,1,0,0|1,0,0]=3 4767 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-5723263979 [0,1,0,1,0,0|1,0,0]=3 4768 B9R1.41 N[C@@H]1CCN[C@@H]1C(=O)O MCULE-6574312344 [0,1,0,1,0,0|1,0,0]=3 4769 B9R1.41 N[C@@H]1COC[C@@H]1C(=O)O MCULE-9833243208 [0,1,0,1,0,0|1,0,0]=3 4770 B9R1.41 N[C@@H]1COC[C@H]1C(=O)O MCULE-7323429960 [0,1,0,1,0,0|1,0,0]=3 4771 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-5128495564 [0,1,0,1,0,0|1,0,0]=3 4772 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-7721875754 [0,1,0,1,0,0|1,0,0]=3 4773 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-8287396944 [0,1,0,1,0,0|1,0,0]=3 4774 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9470915806 [0,1,0,1,0,0|1,0,0]=3 4775 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9776724097 [0,1,0,1,0,0|1,0,0]=3 4776 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O MCULE-9997148303 [0,1,0,1,0,0|1,0,0]=3 4777 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-1768949677 [0,1,0,1,0,0|1,0,0]=3 4778 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-2999200875 [0,1,0,1,0,0|1,0,0]=3 4779 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-4735278058 [0,1,0,1,0,0|1,0,0]=3 4780 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O MCULE-7501259126 [0,1,0,1,0,0|1,0,0]=3 4781 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-4396526735 [0,1,0,1,0,0|1,0,0]=3 4782 B9R1.41 N[C@H]1COC[C@@H]1C(=O)O MCULE-9025415433 [0,1,0,1,0,0|1,0,0]=3 4783 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-2956846972 [0,1,0,1,0,0|1,0,0]=3 4784 B9R1.41 N[C@H]1COC[C@H]1C(=O)O MCULE-3321988270 [0,1,0,1,0,0|1,0,0]=3 4785 B9R1.41 O=C(O)C1CCCC1=O MCULE-9500236289 [0,1,0,1,0,0|1,0,1]=4 4786 B9R1.41 O=C(O)C1CCCC1O MCULE-5519958446 [0,1,0,1,0,0|1,0,0]=3 4787 B9R1.41 O=C(O)C1CCNC1=O MCULE-3110303122 [0,1,0,1,0,0|1,0,1]=4 4788 B9R1.41 O=C(O)C1CCOC1=O MCULE-1545162383 [0,1,0,1,0,0|1,0,1]=4 4789 B9R1.41 O=C(O)C1CNCC1O MCULE-4948062518 [0,1,0,1,0,0|1,0,0]=3 4790 B9R1.41 O=C(O)C1CNCC1O MCULE-8113161890 [0,1,0,1,0,0|1,0,0]=3 4791 B9R1.41 O=C(O)C1COCC1F MCULE-8830875984 [0,1,0,1,0,0|1,0,0]=3 4792 B9R1.41 O=C(O)C1CSCC1=O MCULE-2401489071 [0,1,0,1,0,0|1,0,1]=4 4793 B9R1.41 O=C(O)C1NCCC1F MCULE-2108063646 [0,1,0,1,0,0|1,0,0]=3 4794 B9R1.41 O=C(O)C1NCCC1F MCULE-6901343291 [0,1,0,1,0,0|1,0,0]=3 4795 B9R1.41 O=C(O)C1NCCC1O MCULE-3415911467 [0,1,0,1,0,0|1,0,0]=3 4796 B9R1.41 O=C(O)C1NCCC1O MCULE-3678949962 [0,1,0,1,0,0|1,0,0]=3 4797 B9R1.41 O=C(O)C1NCCC1O MCULE-6594922763 [0,1,0,1,0,0|1,0,0]=3 4798 B9R1.41 O=C(O)[C@@H]1CCNC1=O MCULE-2092808645 [0,1,0,1,0,0|1,0,1]=4 4799 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-3174474393 [0,1,0,1,0,0|1,0,0]=3 4800 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1F MCULE-5151888407 [0,1,0,1,0,0|1,0,0]=3 4801 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1216340314 [0,1,0,1,0,0|1,0,0]=3 4802 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-1564327038 [0,1,0,1,0,0|1,0,0]=3 4803 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-8208546333 [0,1,0,1,0,0|1,0,0]=3 4804 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9489383113 [0,1,0,1,0,0|1,0,0]=3 4805 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O MCULE-9999937302 [0,1,0,1,0,0|1,0,0]=3 4806 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7001095632 [0,1,0,1,0,0|1,0,0]=3 4807 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F MCULE-7931619369 [0,1,0,1,0,0|1,0,0]=3 4808 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-1637514285 [0,1,0,1,0,0|1,0,0]=3 4809 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-7041138309 [0,1,0,1,0,0|1,0,0]=3 4810 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9174140225 [0,1,0,1,0,0|1,0,0]=3 4811 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O MCULE-9867563873 [0,1,0,1,0,0|1,0,0]=3 4812 B9R1.41 O=C(O)[C@@H]1[NH2+]CC[C@@H]1O MCULE-4350473030 [0,1,0,1,0,0|1,0,0]=3 4813 B9R1.41 O=C(O)[C@H]1CCC[C@H]1O MCULE-7220456005 [0,1,0,1,0,0|1,0,0]=3 4814 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-1175817797 [0,1,0,1,0,0|1,0,0]=3 4815 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-5823079222 [0,1,0,1,0,0|1,0,0]=3 4816 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-6437141041 [0,1,0,1,0,0|1,0,0]=3 4817 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1F MCULE-8496599400 [0,1,0,1,0,0|1,0,0]=3 4818 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-1891620706 [0,1,0,1,0,0|1,0,0]=3 4819 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2757873569 [0,1,0,1,0,0|1,0,0]=3 4820 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O MCULE-2760733859 [0,1,0,1,0,0|1,0,0]=3 4821 B9R1.41 O=C(O)[C@H]1NCC[C@H]1F MCULE-8117073613 [0,1,0,1,0,0|1,0,0]=3 4822 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-2253713572 [0,1,0,1,0,0|1,0,0]=3 4823 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-4523708371 [0,1,0,1,0,0|1,0,0]=3 4824 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6240521801 [0,1,0,1,0,0|1,0,0]=3 4825 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6709232399 [0,1,0,1,0,0|1,0,0]=3 4826 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-6746975985 [0,1,0,1,0,0|1,0,0]=3 4827 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O MCULE-8268334758 [0,1,0,1,0,0|1,0,0]=3 4828 B9R1.41 [C@@H]1(CCN[C@H]1C(=O)O)O MCULE-2060265421 [0,1,0,1,0,0|1,0,0]=3 4829 B9R1.41 [C@@H]1(NCC[C@H]1O)C(=O)O MCULE-1208236317 [0,1,0,1,0,0|1,0,0]=3 4830 B9R1.41 [C@H]1(CCN[C@H]1C(=O)O)O MCULE-3906438921 [0,1,0,1,0,0|1,0,0]=3 4831 B9R1.45 C=C1CC1C(N)C(=O)O MCULE-7249491598 [0,1,0,1,0,0|0,0,2]=4 4832 B9R1.81 COC(=O)C1CCC1N MCULE-4693145444 [0,1,0,1,0,0|1,0,0]=3 4833 B9R1.81 COC(=O)C1CCC1N MCULE-6349653007 [0,1,0,1,0,0|1,0,0]=3 4834 B9R1.81 COC(=O)C1CCC1N MCULE-9208418191 [0,1,0,1,0,0|1,0,0]=3 4835 B9R1.81 COC(=O)C1CNC1C MCULE-3916227394 [0,1,0,1,0,0|1,0,0]=3 4836 B9R1.81 COC(=O)C1CNC1C MCULE-8563024829 [0,1,0,1,0,0|1,0,0]=3 4837 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3799679764 [0,1,0,1,0,0|1,0,0]=3 4838 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-3866135678 [0,1,0,1,0,0|1,0,0]=3 4839 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-5783135311 [0,1,0,1,0,0|1,0,0]=3 4840 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7358443789 [0,1,0,1,0,0|1,0,0]=3 4841 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-7787337160 [0,1,0,1,0,0|1,0,0]=3 4842 B9R1.81 COC(=O)[C@@H]1CC[C@@H]1N MCULE-9352998200 [0,1,0,1,0,0|1,0,0]=3 4843 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-5985438267 [0,1,0,1,0,0|1,0,0]=3 4844 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-6739441737 [0,1,0,1,0,0|1,0,0]=3 4845 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8406342632 [0,1,0,1,0,0|1,0,0]=3 4846 B9R1.81 COC(=O)[C@@H]1CC[C@H]1N MCULE-8945046053 [0,1,0,1,0,0|1,0,0]=3 4847 B9R1.81 COC(=O)[C@H]1CC[C@H]1N MCULE-7383295864 [0,1,0,1,0,0|1,0,0]=3 4848 B9R1.93 C=C[C@@H]1C[C@]1(N)C(=O)O MCULE-4179168539 [0,1,0,1,0,0|0,0,2]=4 4849 B9R1.93 CCC1CC1(N)C(=O)O MCULE-5139419329 [0,1,0,1,0,0|0,0,0]=2 4850 B9R1.96 C1(NCC1CC)C(=O)O MCULE-9517338987 [0,1,0,1,0,0|0,0,0]=2 4851 B9R1.96 CC(=O)N1CCC1CO MCULE-2554026906 [0,1,0,1,0,0|2,0,0]=4 4852 B9R1.96 CCC1CNC1C(=O)O MCULE-5561702986 [0,1,0,1,0,0|0,0,0]=2 4853 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-1585063492 [0,1,0,1,0,0|0,0,0]=2 4854 B9R1.96 CCC1CN[C@@H]1C(=O)O MCULE-7143773936 [0,1,0,1,0,0|0,0,0]=2 4855 B9R1.96 CCN1CCC1C(=O)O MCULE-9616158921 [0,1,0,1,0,0|1,0,0]=3 4856 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-1971461514 [0,1,0,1,0,0|1,0,0]=3 4857 B9R1.96 CCN1CC[C@H]1C(=O)O MCULE-4762142431 [0,1,0,1,0,0|1,0,0]=3 4858 B9R1.96 N#CC1CCC1C(=O)O MCULE-1939970378 [0,1,0,1,0,0|0,0,1]=3 4859 B9R1.96 O=C(O)C1CCC1CO MCULE-9648982851 [0,1,0,1,0,0|0,0,0]=2 4860 B9R1.96 O=C([O-])C1CCC1CO MCULE-8666321081 [0,1,0,1,0,0|0,0,1]=3 4861 B9R1.96 O=NN1CCC1C(=O)O MCULE-4855920103 [0,1,0,1,0,0|2,0,0]=4 4862 B9R1.110 C(N)(C(=O)O)C1CCC1 MCULE-9659994288 [0,1,0,1,0,0|0,0,0]=2 4863 B9R1.110 C(N)(C(=O)O)C1COC1 MCULE-5400337176 [0,1,0,1,0,0|1,0,0]=3 4864 B9R1.110 C=C(C(=O)O)C1CCC1 MCULE-2578265979 [0,1,0,1,0,0|0,0,1]=3 4865 B9R1.110 CC(=C1CCC1)C(=O)O MCULE-8904503252 [0,1,0,1,0,0|0,0,2]=4 4866 B9R1.110 CC(=O)N(C)C1CCC1 MCULE-6997854698 [0,1,0,1,0,0|2,0,0]=4 4867 B9R1.110 CC(C(=O)N)C1CNC1 MCULE-8664603287 [0,1,0,1,0,0|2,0,0]=4 4868 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-1352377374 [0,1,0,1,0,0|0,0,0]=2 4869 B9R1.110 CC(C(=O)O)C1CCC1 MCULE-3278183132 [0,1,0,1,0,0|0,0,0]=2 4870 B9R1.110 CC(C(=O)O)C1CCO1 MCULE-4481804660 [0,1,0,1,0,0|1,0,0]=3 4871 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-3425038216 [0,1,0,1,0,0|1,0,0]=3 4872 B9R1.110 CC(C(=O)O)C1CNC1 MCULE-8368638713 [0,1,0,1,0,0|1,0,0]=3 4873 B9R1.110 CC(C(=O)O)C1COC1 MCULE-1438881074 [0,1,0,1,0,0|1,0,0]=3 4874 B9R1.110 CC(C(=O)O)N1CCC1 MCULE-9923940575 [0,1,0,1,0,0|1,0,0]=3 4875 B9R1.110 CN(C(=O)Cl)C1CCC1 MCULE-6620618396 [0,1,0,1,0,0|2,0,0]=4 4876 B9R1.110 NC(=O)C(N)C1CCC1 MCULE-3518352563 [0,1,0,1,0,0|1,0,0]=3 4877 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-3775442501 [0,1,0,1,0,0|0,0,0]=2 4878 B9R1.110 NC(C(=O)O)C1CCC1 MCULE-4685141546 [0,1,0,1,0,0|0,0,0]=2 4879 B9R1.110 NC(C(=O)O)C1COC1 MCULE-1331194239 [0,1,0,1,0,0|1,0,0]=3 4880 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-2214697836 [0,1,0,1,0,0|0,0,0]=2 4881 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-7786634114 [0,1,0,1,0,0|0,0,0]=2 4882 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-8265180180 [0,1,0,1,0,0|0,0,0]=2 4883 B9R1.110 N[C@@H](C(=O)O)C1CCC1 MCULE-9469768507 [0,1,0,1,0,0|0,0,0]=2 4884 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4389145324 [0,1,0,1,0,0|1,0,0]=3 4885 B9R1.110 N[C@@H](C(=O)O)C1COC1 MCULE-4852474986 [0,1,0,1,0,0|1,0,0]=3 4886 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-4701147798 [0,1,0,1,0,0|0,0,0]=2 4887 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-5196473423 [0,1,0,1,0,0|0,0,0]=2 4888 B9R1.110 N[C@H](C(=O)O)C1CCC1 MCULE-8882106256 [0,1,0,1,0,0|0,0,0]=2 4889 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-3016057788 [0,1,0,1,0,0|1,0,0]=3 4890 B9R1.110 N[C@H](C(=O)O)C1COC1 MCULE-8770476335 [0,1,0,1,0,0|1,0,0]=3 4891 B9R1.110 O=C(O)C(=C1CCC1)F MCULE-3335084975 [0,1,0,1,0,0|0,0,2]=4 4892 B9R1.110 O=C(O)C(=O)C1CCC1 MCULE-3680158952 [0,1,0,1,0,0|0,0,1]=3 4893 B9R1.110 O=C(O)C(=O)N1CCC1 MCULE-2155911842 [0,1,0,1,0,0|1,0,1]=4 4894 B9R1.110 O=C(O)C(Br)C1CCC1 MCULE-4353551170 [0,1,0,1,0,0|0,0,0]=2 4895 B9R1.110 O=C(O)C(F)C1CCC1 MCULE-8989287343 [0,1,0,1,0,0|0,0,0]=2 4896 B9R1.110 O=C(O)C(O)C1CCC1 MCULE-8720651836 [0,1,0,1,0,0|0,0,0]=2 4897 B9R1.110 O=C(O)[C@@H](O)C1CCC1 MCULE-7295025986 [0,1,0,1,0,0|0,0,0]=2 4898 B9R1.110 O=C(O)[C@H](O)C1CCC1 MCULE-7776940136 [0,1,0,1,0,0|0,0,0]=2 4899 B9R1.111 CC(C(=O)O)C1(CC1)N MCULE-1517881247 [0,1,0,1,0,0|1,0,0]=3 4900 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-6145936175 [0,1,0,1,0,0|0,0,0]=2 4901 B9R1.111 CC1(CC1)C(N)C(=O)O MCULE-7535494625 [0,1,0,1,0,0|0,0,0]=2 4902 B9R1.111 CC1(CC1)C(O)C(=O)O MCULE-9368385665 [0,1,0,1,0,0|0,0,0]=2 4903 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-1811208675 [0,1,0,1,0,0|0,0,0]=2 4904 B9R1.111 CC1(CC1)[C@H](N)C(=O)O MCULE-7721561513 [0,1,0,1,0,0|0,0,0]=2 4905 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-6983168418 [0,1,0,1,0,0|1,0,0]=3 4906 B9R1.111 NC(C(=O)O)C1(CC1)O MCULE-8148582012 [0,1,0,1,0,0|1,0,0]=3 4907 B9R1.111 N[C@@H](C(=O)O)C1(CC1)O MCULE-3141771978 [0,1,0,1,0,0|1,0,0]=3 4908 B9R1.111 N[C@H](C(=O)O)C1(CC1)O MCULE-9602505956 [0,1,0,1,0,0|1,0,0]=3 4909 B9R1.111 O=C(O)C(=O)C1(CC1)F MCULE-2939361516 [0,1,0,1,0,0|1,0,1]=4 4910 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-5173033031 [0,1,0,1,0,0|0,0,0]=2 4911 B9R1.111 [C@@H](N)(C(=O)O)C1(CC1)C MCULE-8799551410 [0,1,0,1,0,0|0,0,0]=2 4912 B9R1.132 CN1C(=O)OCC1CN MCULE-6042520549 [0,1,0,1,0,0|2,0,0]=4 4913 B9R1.132 CN1C(=O)OCC1CO MCULE-8007610205 [0,1,0,1,0,0|2,0,0]=4 4914 B9R1.7 C=CCC1CCC(=O)C1 MCULE-2799866455 [0,1,0,1,0,0|1,0,1]=4 4915 B9R1.7 CCCC1=CC(=O)OC1 MCULE-9632653901 [0,1,0,1,0,0|0,0,2]=4 4916 B9R1.7 CCCC1CCC(=O)C1 MCULE-9793680877 [0,1,0,1,0,0|1,0,0]=3 4917 B9R1.7 CCCC1CCC(=O)O1 MCULE-7682573247 [0,1,0,1,0,0|2,0,0]=4 4918 B9R1.7 CCCC1CNC(=O)C1 MCULE-4931707298 [0,1,0,1,0,0|1,0,0]=3 4919 B9R1.7 CCCC1COC(=O)C1 MCULE-1327483782 [0,1,0,1,0,0|0,0,0]=2 4920 B9R1.7 CCCC1COC(=O)C1 MCULE-2912518782 [0,1,0,1,0,0|0,0,0]=2 4921 B9R1.7 CCCC1COC(=O)O1 MCULE-7663556618 [0,1,0,1,0,0|1,0,0]=3 4922 B9R1.7 CCC[C@@H]1COC(=O)C1 MCULE-3295643630 [0,1,0,1,0,0|0,0,0]=2 4923 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4217358413 [0,1,0,1,0,0|0,0,0]=2 4924 B9R1.7 CCC[C@H]1COC(=O)C1 MCULE-4815713221 [0,1,0,1,0,0|0,0,0]=2 4925 B9R1.7 CCOC1CCC(=O)N1 MCULE-6221129998 [0,1,0,1,0,0|2,0,0]=4 4926 B9R1.7 CNCC1CCC(=O)N1 MCULE-3081580104 [0,1,0,1,0,0|2,0,0]=4 4927 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-2568268658 [0,1,0,1,0,0|2,0,0]=4 4928 B9R1.7 CNC[C@@H]1CCC(=O)N1 MCULE-3483815914 [0,1,0,1,0,0|2,0,0]=4 4929 B9R1.7 COCC1CCC(=O)C1 MCULE-5327398944 [0,1,0,1,0,0|1,0,0]=3 4930 B9R1.7 COCC1COC(=O)O1 MCULE-4488263909 [0,1,0,1,0,0|1,0,0]=3 4931 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-4803003402 [0,1,0,1,0,0|1,0,0]=3 4932 B9R1.7 COC[C@@H]1COC(=O)O1 MCULE-7896550849 [0,1,0,1,0,0|1,0,0]=3 4933 B9R1.7 COC[C@H]1CNC(=O)O1 MCULE-1001119582 [0,1,0,1,0,0|2,0,0]=4 4934 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4532523996 [0,1,0,1,0,0|1,0,0]=3 4935 B9R1.7 COC[C@H]1COC(=O)O1 MCULE-4644835151 [0,1,0,1,0,0|1,0,0]=3 4936 B9R1.7 NCCC1CCC(=O)N1 MCULE-5980289637 [0,1,0,1,0,0|2,0,0]=4 4937 B9R1.7 NCCC1CC[C@H](C1)O MCULE-3758609813 [0,1,0,1,0,0|1,0,1]=4 4938 B9R1.7 NCCC1CNC(=O)C1 MCULE-8054842830 [0,1,0,1,0,0|1,0,0]=3 4939 B9R1.7 NCCC1CNC(=O)C1 MCULE-8879419553 [0,1,0,1,0,0|1,0,0]=3 4940 B9R1.7 NCC[C@@H]1CCC(=O)N1 MCULE-8053535061 [0,1,0,1,0,0|2,0,0]=4 4941 B9R1.7 NCC[C@H]1CC[C@H](C1)O MCULE-7245034683 [0,1,0,1,0,0|1,0,1]=4 4942 B9R1.7 O=C1CC(CN1)CCO MCULE-6468116083 [0,1,0,1,0,0|1,0,0]=3 4943 B9R1.7 O=C1CCC(N1)CCO MCULE-8691061986 [0,1,0,1,0,0|2,0,0]=4 4944 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-7396523836 [0,1,0,1,0,0|2,0,0]=4 4945 B9R1.7 O=C1CC[C@H](N1)CCO MCULE-8307506069 [0,1,0,1,0,0|2,0,0]=4 4946 B9R1.7 O=S1OCC(O1)CCCl MCULE-1770094886 [0,1,0,1,0,0|2,0,0]=4 4947 B9R1.13 C1(CCCN1)CC(=O)O MCULE-3743402418 [0,1,0,1,0,0|0,0,0]=2 4948 B9R1.13 C1(CCCN1)CC(=O)O MCULE-9966702869 [0,1,0,1,0,0|0,0,0]=2 4949 B9R1.13 C1(CCNC1)CC(=O)O MCULE-7279534621 [0,1,0,1,0,0|0,0,0]=2 4950 B9R1.13 C1(CCNC1)NC(=O)C MCULE-3187971747 [0,1,0,1,0,0|2,0,0]=4 4951 B9R1.13 C1(CCNC1)NC(=O)C MCULE-5477008391 [0,1,0,1,0,0|2,0,0]=4 4952 B9R1.13 CC(=O)CC1C=CCC1 MCULE-6918580278 [0,1,0,1,0,0|1,0,1]=4 4953 B9R1.13 CC(=O)CC1CCCC1 MCULE-5830536761 [0,1,0,1,0,0|1,0,0]=3 4954 B9R1.13 CC(=O)CC1CCCO1 MCULE-7012539509 [0,1,0,1,0,0|1,0,0]=3 4955 B9R1.13 CC(=O)CC1CCOC1 MCULE-2391008206 [0,1,0,1,0,0|1,0,0]=3 4956 B9R1.13 CC(=O)CC1OCCO1 MCULE-2632722648 [0,1,0,1,0,0|2,0,0]=4 4957 B9R1.13 CC(=O)CN1CCCC1 MCULE-7257105125 [0,1,0,1,0,0|2,0,0]=4 4958 B9R1.13 CC(=O)NC1CCCC1 MCULE-5984597819 [0,1,0,1,0,0|2,0,0]=4 4959 B9R1.13 CC(=O)NC1CCNC1 MCULE-7740912446 [0,1,0,1,0,0|2,0,0]=4 4960 B9R1.13 CC(=O)NC1CCNC1 MCULE-9319017541 [0,1,0,1,0,0|2,0,0]=4 4961 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-1207025314 [0,1,0,1,0,0|2,0,0]=4 4962 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-7984936811 [0,1,0,1,0,0|2,0,0]=4 4963 B9R1.13 CC(=O)N[C@@H]1CCNC1 MCULE-8722694369 [0,1,0,1,0,0|2,0,0]=4 4964 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-3447488838 [0,1,0,1,0,0|2,0,0]=4 4965 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-4093097100 [0,1,0,1,0,0|2,0,0]=4 4966 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-4416464509 [0,1,0,1,0,0|2,0,0]=4 4967 B9R1.13 CC(=O)N[C@H]1CCNC1 MCULE-5561268178 [0,1,0,1,0,0|2,0,0]=4 4968 B9R1.13 CC(=O)OC1CCCC1 MCULE-7737656947 [0,1,0,1,0,0|2,0,0]=4 4969 B9R1.13 CC(=O)OC1CCCO1 MCULE-9160883410 [0,1,0,1,0,0|2,0,0]=4 4970 B9R1.13 CC(=O)OC1CCNC1 MCULE-3149020197 [0,1,0,1,0,0|2,0,0]=4 4971 B9R1.13 CC(=O)OC1CCNC1 MCULE-9159124706 [0,1,0,1,0,0|2,0,0]=4 4972 B9R1.13 CC(=O)SC1CCOC1 MCULE-8318391351 [0,1,0,1,0,0|2,0,0]=4 4973 B9R1.13 CC(O)CC1CCCN1 MCULE-7800705257 [0,1,0,1,0,0|1,0,1]=4 4974 B9R1.13 CC(O)CC1CCOC1 MCULE-4873864951 [0,1,0,1,0,0|1,0,1]=4 4975 B9R1.13 NC(=O)CC1CCCC1 MCULE-2082339108 [0,1,0,1,0,0|1,0,0]=3 4976 B9R1.13 NC(=O)CC1CCCN1 MCULE-2142594957 [0,1,0,1,0,0|1,0,0]=3 4977 B9R1.13 NC(=O)CC1CCCN1 MCULE-8011902334 [0,1,0,1,0,0|1,0,0]=3 4978 B9R1.13 NC(=O)CC1CCNC1 MCULE-7856346382 [0,1,0,1,0,0|1,0,0]=3 4979 B9R1.13 NC(=O)CC1CCNC1 MCULE-9708437402 [0,1,0,1,0,0|1,0,0]=3 4980 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-2790931086 [0,1,0,1,0,0|1,0,0]=3 4981 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3723741843 [0,1,0,1,0,0|1,0,0]=3 4982 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-3877903747 [0,1,0,1,0,0|1,0,0]=3 4983 B9R1.13 NC(=O)C[C@H]1CCCN1 MCULE-5587287647 [0,1,0,1,0,0|1,0,0]=3 4984 B9R1.13 NC(=O)NC1CCCC1 MCULE-9715014489 [0,1,0,1,0,0|2,0,0]=4 4985 B9R1.13 NC(=O)OC1CCCC1 MCULE-7706681395 [0,1,0,1,0,0|2,0,0]=4 4986 B9R1.13 NC(=S)CC1CCCC1 MCULE-6979331241 [0,1,0,1,0,0|1,1,0]=4 4987 B9R1.13 NC(=S)CC1CCCO1 MCULE-7256451681 [0,1,0,1,0,0|1,1,0]=4 4988 B9R1.13 O=C(Cl)CC1CCCC1 MCULE-1532102571 [0,1,0,1,0,0|1,0,0]=3 4989 B9R1.13 O=C(Cl)CC1CCCO1 MCULE-6649417514 [0,1,0,1,0,0|1,0,0]=3 4990 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-5855966340 [0,1,0,1,0,0|2,0,0]=4 4991 B9R1.13 O=C(Cl)CN1CCCC1 MCULE-7423158222 [0,1,0,1,0,0|2,0,0]=4 4992 B9R1.13 O=C(Cl)OC1CCCC1 MCULE-2692212922 [0,1,0,1,0,0|2,0,0]=4 4993 B9R1.13 O=C(Cl)OC1CCOC1 MCULE-2201264760 [0,1,0,1,0,0|2,0,0]=4 4994 B9R1.13 O=C(O)/C=C\1/CCNC1 MCULE-3459034443 [0,1,0,1,0,0|0,0,2]=4 4995 B9R1.13 O=C(O)C=C1CCCC1 MCULE-1637420148 [0,1,0,1,0,0|0,0,2]=4 4996 B9R1.13 O=C(O)CC1=CCCC1 MCULE-5115478269 [0,1,0,1,0,0|0,0,1]=3 4997 B9R1.13 O=C(O)CC1C=CCC1 MCULE-6825390000 [0,1,0,1,0,0|0,0,1]=3 4998 B9R1.13 O=C(O)CC1CC=CC1 MCULE-8417475923 [0,1,0,1,0,0|0,0,1]=3 4999 B9R1.13 O=C(O)CC1CCCC1 MCULE-1115751804 [0,1,0,1,0,0|0,0,0]=2 5000 B9R1.13 O=C(O)CC1CCCN1 MCULE-6784535537 [0,1,0,1,0,0|0,0,0]=2 5001 B9R1.13 O=C(O)CC1CCCN1 MCULE-8302150253 [0,1,0,1,0,0|0,0,0]=2 5002 B9R1.13 O=C(O)CC1CCCO1 MCULE-8027346350 [0,1,0,1,0,0|0,0,0]=2 5003 B9R1.13 O=C(O)CC1CCNC1 MCULE-3199492917 [0,1,0,1,0,0|0,0,0]=2 5004 B9R1.13 O=C(O)CC1CCNC1 MCULE-3887627276 [0,1,0,1,0,0|0,0,0]=2 5005 B9R1.13 O=C(O)CC1CCOC1 MCULE-5167901709 [0,1,0,1,0,0|0,0,0]=2 5006 B9R1.13 O=C(O)CC1CCOC1 MCULE-9171332464 [0,1,0,1,0,0|0,0,0]=2 5007 B9R1.13 O=C(O)CC1CCSS1 MCULE-4893716992 [0,1,0,1,0,0|1,0,0]=3 5008 B9R1.13 O=C(O)CC1OCCO1 MCULE-2253063465 [0,1,0,1,0,0|1,0,0]=3 5009 B9R1.13 O=C(O)CN1CCCC1 MCULE-3979513963 [0,1,0,1,0,0|1,0,0]=3 5010 B9R1.13 O=C(O)CN1CCCC1 MCULE-4046939568 [0,1,0,1,0,0|1,0,0]=3 5011 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-3034711788 [0,1,0,1,0,0|0,0,0]=2 5012 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-8632270998 [0,1,0,1,0,0|0,0,0]=2 5013 B9R1.13 O=C(O)C[C@@H]1CCCN1 MCULE-9053746158 [0,1,0,1,0,0|0,0,0]=2 5014 B9R1.13 O=C(O)C[C@@H]1CCCO1 MCULE-6652130024 [0,1,0,1,0,0|0,0,0]=2 5015 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-1313399028 [0,1,0,1,0,0|0,0,0]=2 5016 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-3013411353 [0,1,0,1,0,0|0,0,0]=2 5017 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4082052328 [0,1,0,1,0,0|0,0,0]=2 5018 B9R1.13 O=C(O)C[C@@H]1CCNC1 MCULE-4709831049 [0,1,0,1,0,0|0,0,0]=2 5019 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-2630690308 [0,1,0,1,0,0|0,0,0]=2 5020 B9R1.13 O=C(O)C[C@@H]1CCOC1 MCULE-6148582776 [0,1,0,1,0,0|0,0,0]=2 5021 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-1934097379 [0,1,0,1,0,0|0,0,0]=2 5022 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-3129569449 [0,1,0,1,0,0|0,0,0]=2 5023 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-8499782890 [0,1,0,1,0,0|0,0,0]=2 5024 B9R1.13 O=C(O)C[C@H]1CCCN1 MCULE-9712071738 [0,1,0,1,0,0|0,0,0]=2 5025 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-3712345326 [0,1,0,1,0,0|0,0,0]=2 5026 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-4882389427 [0,1,0,1,0,0|0,0,0]=2 5027 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-5390328422 [0,1,0,1,0,0|0,0,0]=2 5028 B9R1.13 O=C(O)C[C@H]1CCNC1 MCULE-8402835022 [0,1,0,1,0,0|0,0,0]=2 5029 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-3521696581 [0,1,0,1,0,0|0,0,0]=2 5030 B9R1.13 O=C(O)C[C@H]1CCOC1 MCULE-6096956796 [0,1,0,1,0,0|0,0,0]=2 5031 B9R1.13 OB(O)CC1CCCC1 MCULE-5721807920 [0,1,0,1,0,0|1,0,1]=4 5032 B9R1.13 [C@H]1(CCCN1)CC(=O)O MCULE-6368276149 [0,1,0,1,0,0|0,0,0]=2 5033 B9R1.22 CC1CC(=O)NC1CO MCULE-1890923185 [0,1,0,1,0,0|1,0,0]=3 5034 B9R1.22 CC1CC(C(O1)C)CN MCULE-8332746873 [0,1,0,1,0,0|1,0,1]=4 5035 B9R1.22 CC[C@@H]1NC(=O)OC1=O MCULE-8362688943 [0,1,0,1,0,0|1,0,1]=4 5036 B9R1.22 CC[C@H]1NC(=O)OC1=O MCULE-2218316523 [0,1,0,1,0,0|1,0,1]=4 5037 B9R1.22 C[C@@H]1CC(=O)N[C@@H]1CO MCULE-7022189173 [0,1,0,1,0,0|1,0,0]=3 5038 B9R1.22 C[C@@H]1CC(=O)N[C@H]1CO MCULE-2239273281 [0,1,0,1,0,0|1,0,0]=3 5039 B9R1.22 C[C@H]1CC(=O)N[C@@H]1CO MCULE-6299915210 [0,1,0,1,0,0|1,0,0]=3 5040 B9R1.22 C[C@H]1CC(=O)N[C@H]1CO MCULE-9870605893 [0,1,0,1,0,0|1,0,0]=3 5041 B9R1.22 O=C1CC(C(O1)CO)O MCULE-1210550303 [0,1,0,1,0,0|1,0,0]=3 5042 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-2550191764 [0,1,0,1,0,0|1,0,0]=3 5043 B9R1.22 O=C1C[C@@H]([C@H](O1)CO)O MCULE-3529189398 [0,1,0,1,0,0|1,0,0]=3 5044 B9R1.22 [C@@H]1(CC(=O)O[C@@H]1CO)O MCULE-1905436889 [0,1,0,1,0,0|1,0,0]=3 5045 B9R1.34 CC1=CC(=O)CC(C1)C MCULE-4391727742 [0,1,0,1,0,0|1,0,0]=3 5046 B9R1.34 CC1=CC(CC(=O)C1)C MCULE-3058901389 [0,1,0,1,0,0|1,0,1]=4 5047 B9R1.34 CC1=CC(CC(=O)O1)O MCULE-2892113646 [0,1,0,1,0,0|1,0,1]=4 5048 B9R1.34 CC1CC(=O)C=C(C1)N MCULE-4451452781 [0,1,0,1,0,0|1,0,1]=4 5049 B9R1.34 CC1CC(=O)CC(=O)C1 MCULE-9077952779 [0,1,0,1,0,0|1,0,1]=4 5050 B9R1.34 CC1CC(=O)CC(=O)O1 MCULE-8800349509 [0,1,0,1,0,0|1,0,1]=4 5051 B9R1.34 CC1CC(=O)CC(C1)C MCULE-7560602452 [0,1,0,1,0,0|1,0,0]=3 5052 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6804146726 [0,1,0,1,0,0|1,0,0]=3 5053 B9R1.34 CC1CC(=O)CC(N1)C MCULE-6840092000 [0,1,0,1,0,0|1,0,0]=3 5054 B9R1.34 CC1CC(=O)CC(O1)C MCULE-3466195629 [0,1,0,1,0,0|1,0,0]=3 5055 B9R1.34 CC1CC(=O)OC(=O)C1 MCULE-7493778576 [0,1,0,1,0,0|0,0,1]=3 5056 B9R1.34 CC1CC(CC(C1)O)C MCULE-5050137682 [0,1,0,1,0,0|1,0,1]=4 5057 B9R1.34 CC1CC(CC(N1)C)O MCULE-8501155054 [0,1,0,1,0,0|1,0,1]=4 5058 B9R1.34 CC1CC(CC(N1)C)O MCULE-9792793633 [0,1,0,1,0,0|1,0,1]=4 5059 B9R1.34 CC1CC(CC(O1)C)O MCULE-6800301090 [0,1,0,1,0,0|1,0,1]=4 5060 B9R1.34 CC1CC(CN(C1)C)O MCULE-7441770743 [0,1,0,1,0,0|1,0,1]=4 5061 B9R1.34 CC1CC(CN(C1)C)O MCULE-9654842419 [0,1,0,1,0,0|1,0,1]=4 5062 B9R1.34 CN1CC(=O)OC(=O)C1 MCULE-5682675378 [0,1,0,1,0,0|1,0,1]=4 5063 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-8209155173 [0,1,0,1,0,0|1,0,0]=3 5064 B9R1.34 C[C@@H]1CC(=O)C[C@H](N1)C MCULE-9446746465 [0,1,0,1,0,0|1,0,0]=3 5065 B9R1.34 C[C@@H]1CC(=O)C[C@H](O1)C MCULE-7023432709 [0,1,0,1,0,0|1,0,0]=3 5066 B9R1.34 C[C@@H]1CC(C[C@H](N1)C)O MCULE-2538025513 [0,1,0,1,0,0|1,0,1]=4 5067 B9R1.34 C[C@@H]1CC(C[C@H](N1)C)O MCULE-8633121448 [0,1,0,1,0,0|1,0,1]=4 5068 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-2788235613 [0,1,0,1,0,0|1,0,0]=3 5069 B9R1.34 C[C@H]1CC(=O)C[C@@H](N1)C MCULE-5366721571 [0,1,0,1,0,0|1,0,0]=3 5070 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-5181389040 [0,1,0,1,0,0|1,0,0]=3 5071 B9R1.34 C[C@H]1CC(=O)C[C@H](N1)C MCULE-6787698072 [0,1,0,1,0,0|1,0,0]=3 5072 B9R1.34 C[C@H]1CC(=O)C[C@H](O1)C MCULE-6710108830 [0,1,0,1,0,0|1,0,0]=3 5073 B9R1.34 C[C@H]1C[C@H](C[C@H](O1)C)O MCULE-3661941188 [0,1,0,1,0,0|1,0,1]=4 5074 B9R1.38 CC1(CC(=O)OC1=O)C MCULE-3767285740 [0,1,0,1,0,0|1,0,1]=4 5075 B9R1.38 CC1(NC(=O)CC1N)C MCULE-9628793006 [0,1,0,1,0,0|2,0,0]=4 5076 B9R1.38 CC1(NC(=O)CC1O)C MCULE-8306254701 [0,1,0,1,0,0|2,0,0]=4 5077 B9R1.38 CC1(OC(=O)CC1=O)C MCULE-9824471420 [0,1,0,1,0,0|1,0,1]=4 5078 B9R1.38 CC1CC(=O)NC1(C)C MCULE-4801665077 [0,1,0,1,0,0|1,0,0]=3 5079 B9R1.38 CC1CC(=O)OC1(C)C MCULE-6169528498 [0,1,0,1,0,0|0,0,0]=2 5080 B9R1.38 CC1CC(S(=O)(=O)C1)C MCULE-7873770118 [0,1,0,1,0,0|1,0,1]=4 5081 B9R1.38 CC1OC(=O)CC1(C)C MCULE-2629079906 [0,1,0,1,0,0|0,0,0]=2 5082 B9R1.44 CC1(CC1F)CC(=O)O MCULE-2399259815 [0,1,0,1,0,0|0,0,0]=2 5083 B9R1.48 CC1CC(=O)NCCN1 MCULE-4537177994 [0,1,0,1,0,0|1,0,0]=3 5084 B9R1.48 CC1CC(=O)NCCS1 MCULE-3715670462 [0,1,0,1,0,0|1,0,0]=3 5085 B9R1.48 CC1CCCCC(=O)C1 MCULE-5791948972 [0,1,0,1,0,0|1,0,0]=3 5086 B9R1.48 CC1CCCCC(=O)N1 MCULE-8985894348 [0,1,0,1,0,0|2,0,0]=4 5087 B9R1.48 CC1CNCCC(=O)N1 MCULE-3663408616 [0,1,0,1,0,0|2,0,0]=4 5088 B9R1.48 CC1CNCCS(=O)C1 MCULE-4138647352 [0,1,0,1,0,0|2,0,0]=4 5089 B9R1.48 CC1CNCCS(=O)C1 MCULE-4597207487 [0,1,0,1,0,0|2,0,0]=4 5090 B9R1.48 CN1CCCNC(=O)C1 MCULE-9846049599 [0,1,0,1,0,0|2,0,0]=4 5091 B9R1.48 C[C@H]1CC(=O)NCCN1 MCULE-6214285788 [0,1,0,1,0,0|1,0,0]=3 5092 B9R1.48 NC1CCCNC(=O)C1 MCULE-3170887073 [0,1,0,1,0,0|2,0,0]=4 5093 B9R1.48 O=C1CC(CCCN1)O MCULE-6648954515 [0,1,0,1,0,0|2,0,0]=4 5094 B9R1.52 CC1CN(C1C(=O)O)C MCULE-8572324743 [0,1,0,1,0,0|0,0,0]=2 5095 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-1157987768 [0,1,0,1,0,0|0,0,0]=2 5096 B9R1.52 CC1CN([C@@H]1C(=O)O)C MCULE-2203210701 [0,1,0,1,0,0|0,0,0]=2 5097 B9R1.52 C[C@@H]1CN([C@@H]1C(=O)O)C MCULE-7173137112 [0,1,0,1,0,0|0,0,0]=2 5098 B9R1.53 CC(=O)NC1CC(C1)N MCULE-1496549352 [0,1,0,1,0,0|2,0,0]=4 5099 B9R1.53 CC(=O)NC1CC(C1)N MCULE-5377217070 [0,1,0,1,0,0|2,0,0]=4 5100 B9R1.53 CC(=O)NC1CC(C1)N MCULE-5616964162 [0,1,0,1,0,0|2,0,0]=4 5101 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)N MCULE-9021883914 [0,1,0,1,0,0|2,0,0]=4 5102 B9R1.53 CC(=O)N[C@H]1C[C@@H](C1)N MCULE-9441277768 [0,1,0,1,0,0|2,0,0]=4 5103 B9R1.53 CC1CC(C1)CC(=O)O MCULE-1823232756 [0,1,0,1,0,0|0,0,0]=2 5104 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6114587935 [0,1,0,1,0,0|0,0,0]=2 5105 B9R1.53 CN1CC(C1)CC(=O)O MCULE-6524445855 [0,1,0,1,0,0|0,0,0]=2 5106 B9R1.53 NC(=O)CC1CC(C1)N MCULE-4414712655 [0,1,0,1,0,0|1,0,0]=3 5107 B9R1.53 NC(=O)CC1CC(C1)N MCULE-6104457108 [0,1,0,1,0,0|1,0,0]=3 5108 B9R1.53 NC1CC(C1)CC(=O)O MCULE-1535901081 [0,1,0,1,0,0|0,0,0]=2 5109 B9R1.53 NC1CC(C1)CC(=O)O MCULE-4536482207 [0,1,0,1,0,0|0,0,0]=2 5110 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-2333675175 [0,1,0,1,0,0|0,0,0]=2 5111 B9R1.53 N[C@H]1C[C@@H](C1)CC(=O)O MCULE-3710409300 [0,1,0,1,0,0|0,0,0]=2 5112 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-1039324799 [0,1,0,1,0,0|0,0,0]=2 5113 B9R1.53 N[C@H]1C[C@H](C1)CC(=O)O MCULE-3309485111 [0,1,0,1,0,0|0,0,0]=2 5114 B9R1.53 O=C(O)CC1CC(=O)C1 MCULE-5236898540 [0,1,0,1,0,0|0,0,1]=3 5115 B9R1.53 O=C(O)CC1CC(=O)N1 MCULE-4393961412 [0,1,0,1,0,0|1,0,1]=4 5116 B9R1.53 O=C(O)CC1CC(C1)F MCULE-2736771844 [0,1,0,1,0,0|0,0,0]=2 5117 B9R1.59 CCCC1CC1C(=O)O MCULE-5011491615 [0,1,0,1,0,0|0,0,0]=2 5118 B9R1.59 CCC[C@@H]1C[C@@H]1C(=O)O MCULE-8208745989 [0,1,0,1,0,0|0,0,0]=2 5119 B9R1.59 CCC[C@@H]1C[C@H]1C(=O)O MCULE-1448060038 [0,1,0,1,0,0|0,0,0]=2 5120 B9R1.59 CCC[C@H]1C[C@H]1C(=O)O MCULE-6634735984 [0,1,0,1,0,0|0,0,0]=2 5121 B9R1.59 CCOC1CC1C(=O)O MCULE-2083001018 [0,1,0,1,0,0|0,0,0]=2 5122 B9R1.59 CCO[C@@H]1C[C@H]1C(=O)O MCULE-4372225112 [0,1,0,1,0,0|0,0,0]=2 5123 B9R1.59 CCO[C@H]1C[C@@H]1C(=O)O MCULE-5085446325 [0,1,0,1,0,0|0,0,0]=2 5124 B9R1.59 COC[C@@H]1C[C@H]1C(=O)O MCULE-9183962958 [0,1,0,1,0,0|0,0,0]=2 5125 B9R1.66 CC1(C=COC(=O)C1)C MCULE-6876256388 [0,1,0,1,0,0|0,0,2]=4 5126 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7066435466 [0,1,0,1,0,0|2,0,0]=4 5127 B9R1.66 CC1(CC(=O)CCN1)C MCULE-7610772996 [0,1,0,1,0,0|2,0,0]=4 5128 B9R1.66 CC1(CC(=O)CCO1)C MCULE-8996731620 [0,1,0,1,0,0|2,0,0]=4 5129 B9R1.66 CC1(CC=CC(=O)C1)C MCULE-3774162320 [0,1,0,1,0,0|1,0,1]=4 5130 B9R1.66 CC1(CCCC(=O)C1)C MCULE-5947496314 [0,1,0,1,0,0|1,0,0]=3 5131 B9R1.66 CC1(CCCC(=O)N1)C MCULE-9506005736 [0,1,0,1,0,0|2,0,0]=4 5132 B9R1.66 CC1(CCCC(C1)O)C MCULE-3782371278 [0,1,0,1,0,0|1,0,1]=4 5133 B9R1.66 CC1(CCNC(=O)C1)C MCULE-5703517542 [0,1,0,1,0,0|1,0,0]=3 5134 B9R1.66 CC1(CCOC(=O)C1)C MCULE-4727187858 [0,1,0,1,0,0|0,0,0]=2 5135 B9R1.66 CC1(CCOC(=O)C1)O MCULE-5265065779 [0,1,0,1,0,0|0,0,0]=2 5136 B9R1.66 CC1(CCOS(=O)O1)C MCULE-7552644708 [0,1,0,1,0,0|2,0,0]=4 5137 B9R1.66 CC1(COCC(=O)C1)C MCULE-9899246450 [0,1,0,1,0,0|2,0,0]=4 5138 B9R1.66 CC1(CSCC(=O)C1)C MCULE-2479165636 [0,1,0,1,0,0|2,0,0]=4 5139 B9R1.66 CC1CC(CCN1)(C)O MCULE-1481375407 [0,1,0,1,0,0|1,0,1]=4 5140 B9R1.66 CC1CCOS(=O)(=O)O1 MCULE-9717144678 [0,1,0,1,0,0|2,0,0]=4 5141 B9R1.66 CC1CS(=O)(=O)CCN1 MCULE-2800774610 [0,1,0,1,0,0|1,0,1]=4 5142 B9R1.66 CC1CS(=O)(=O)CCN1 MCULE-5665116086 [0,1,0,1,0,0|1,0,1]=4 5143 B9R1.66 C[C@]1(CCOC(=O)C1)O MCULE-9416165586 [0,1,0,1,0,0|0,0,0]=2 5144 B9R1.66 O=C1CC(CCN1)(F)F MCULE-3058421094 [0,1,0,1,0,0|2,0,0]=4 5145 B9R1.66 O=C1CC(CCN1)(F)F MCULE-7491921693 [0,1,0,1,0,0|2,0,0]=4 5146 B9R1.66 O=C1CCCC(C1)(F)F MCULE-2940546181 [0,1,0,1,0,0|2,0,0]=4 5147 B9R1.136 NCCC1CS(=O)(=O)C1 MCULE-7228144456 [0,1,0,1,0,0|1,0,1]=4 5148 B9R1.136 NCCC1CS(=O)(=O)C1 MCULE-9104426367 [0,1,0,1,0,0|1,0,1]=4 5149 B9R1.136 O=S1(=O)CC(C1)CCBr MCULE-5258394981 [0,1,0,1,0,0|1,0,1]=4 5150 B9R1.137 C/C(=C/C(=O)O)/C1CC1 MCULE-5654935007 [0,1,0,1,0,0|0,0,2]=4 5151 B9R1.137 CC(=CC(=O)O)C1CC1 MCULE-7697317178 [0,1,0,1,0,0|0,0,2]=4 5152 B9R1.137 CC(=O)OC(C)C1CC1 MCULE-5922626122 [0,1,0,1,0,0|2,0,0]=4 5153 B9R1.137 CC(CC(=O)O)C1CC1 MCULE-6791529668 [0,1,0,1,0,0|0,0,0]=2 5154 B9R1.137 CN(CC(=O)O)C1CC1 MCULE-7502980024 [0,1,0,1,0,0|1,0,0]=3 5155 B9R1.137 NC(CC(=O)O)C1CC1 MCULE-8804808816 [0,1,0,1,0,0|1,0,0]=3 5156 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9237422000 [0,1,0,1,0,0|1,0,0]=3 5157 B9R1.137 N[C@@H](CC(=O)O)C1CC1 MCULE-9835342571 [0,1,0,1,0,0|1,0,0]=3 5158 B9R1.137 O=C(O)CC(=O)C1CC1 MCULE-2843513529 [0,1,0,1,0,0|1,0,1]=4 5159 B9R1.171 CC(=O)CC1(CCC1)O MCULE-9059999179 [0,1,0,1,0,0|1,0,0]=3 5160 B9R1.171 CC(=O)CC1(COC1)O MCULE-3975222086 [0,1,0,1,0,0|2,0,0]=4 5161 B9R1.171 CC(=O)NC1(CCC1)C MCULE-3803103967 [0,1,0,1,0,0|2,0,0]=4 5162 B9R1.171 CC1(CCC1)CC(=O)O MCULE-7933536922 [0,1,0,1,0,0|0,0,0]=2 5163 B9R1.171 CC1(COC1)CC(=O)O MCULE-6717906096 [0,1,0,1,0,0|0,0,0]=2 5164 B9R1.171 CC1(COC1)CC(=O)[O-] MCULE-9614788106 [0,1,0,1,0,0|0,0,1]=3 5165 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9066660105 [0,1,0,1,0,0|1,0,0]=3 5166 B9R1.171 NC(=O)CC1(CCC1)N MCULE-9947560643 [0,1,0,1,0,0|1,0,0]=3 5167 B9R1.171 NC(=O)CC1(COC1)N MCULE-9538138103 [0,1,0,1,0,0|2,0,0]=4 5168 B9R1.171 NC1(CCC1)CC(=O)O MCULE-2268387352 [0,1,0,1,0,0|0,0,0]=2 5169 B9R1.171 NC1(CCC1)CC(=O)O MCULE-7887308813 [0,1,0,1,0,0|0,0,0]=2 5170 B9R1.171 NC1(COC1)CC(=O)O MCULE-7347209492 [0,1,0,1,0,0|1,0,0]=3 5171 B9R1.171 O=C(O)CC1(CCC1)O MCULE-4697861595 [0,1,0,1,0,0|0,0,0]=2 5172 B9R1.171 O=C(O)CC1(COC1)F MCULE-8446148413 [0,1,0,1,0,0|1,0,0]=3 5173 B9R1.171 O=N(=O)CC1(CCC1)O MCULE-8583527422 [0,1,0,1,0,0|1,0,1]=4 5174 B9R1.2 C#CC1CCCC(=O)C1 MCULE-9347784864 [0,1,0,1,0,0|1,0,1]=4 5175 B9R1.2 C=C1CC(CCO1)C=O MCULE-3057874524 [0,1,0,1,0,0|1,0,1]=4 5176 B9R1.2 C=CC1CCCC(=O)C1 MCULE-4962666890 [0,1,0,1,0,0|1,0,1]=4 5177 B9R1.2 CC1C=C(CCC1)C=O MCULE-8149754044 [0,1,0,1,0,0|1,0,1]=4 5178 B9R1.2 CC1CC(CCO1)CBr MCULE-2331277769 [0,1,0,1,0,0|1,0,1]=4 5179 B9R1.2 CC1CC(CCO1)CO MCULE-1147018894 [0,1,0,1,0,0|1,0,1]=4 5180 B9R1.2 CC1CCCC(C1)C=O MCULE-8003239715 [0,1,0,1,0,0|1,0,1]=4 5181 B9R1.2 CC1CCCC(C1)CO MCULE-5618525751 [0,1,0,1,0,0|1,0,1]=4 5182 B9R1.2 CCC1CC(=O)CCN1 MCULE-1220676585 [0,1,0,1,0,0|1,0,0]=3 5183 B9R1.2 CCC1CC(=O)CCN1 MCULE-3141090997 [0,1,0,1,0,0|1,0,0]=3 5184 B9R1.2 CCC1CC(=O)CCO1 MCULE-5885330152 [0,1,0,1,0,0|1,0,0]=3 5185 B9R1.2 CCC1CC(CCN1)O MCULE-4953737441 [0,1,0,1,0,0|1,0,1]=4 5186 B9R1.2 CCC1CC(CCN1)O MCULE-9634837614 [0,1,0,1,0,0|1,0,1]=4 5187 B9R1.2 CCC1CC(CCO1)O MCULE-2215415390 [0,1,0,1,0,0|1,0,1]=4 5188 B9R1.2 CCC1CCCC(=O)C1 MCULE-2309757845 [0,1,0,1,0,0|1,0,0]=3 5189 B9R1.2 CCC1CCCC(=O)N1 MCULE-7034650517 [0,1,0,1,0,0|2,0,0]=4 5190 B9R1.2 CCC1CCCC(C1)O MCULE-5149394080 [0,1,0,1,0,0|1,0,1]=4 5191 B9R1.2 CCC1CCNC(=O)C1 MCULE-7827721769 [0,1,0,1,0,0|1,0,0]=3 5192 B9R1.2 CCC1CNCC(=O)N1 MCULE-1768212982 [0,1,0,1,0,0|2,0,0]=4 5193 B9R1.2 CCC1COCC(=O)N1 MCULE-1841359305 [0,1,0,1,0,0|1,0,0]=3 5194 B9R1.2 CCN1CCCC(=O)C1 MCULE-1438900169 [0,1,0,1,0,0|2,0,0]=4 5195 B9R1.2 CCN1CCCC(=O)C1 MCULE-2924579479 [0,1,0,1,0,0|2,0,0]=4 5196 B9R1.2 CCN1CCNC(=O)C1 MCULE-1191268798 [0,1,0,1,0,0|2,0,0]=4 5197 B9R1.2 CCN1CCNC(=O)C1 MCULE-5823830618 [0,1,0,1,0,0|2,0,0]=4 5198 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-6816021578 [0,1,0,1,0,0|1,0,0]=3 5199 B9R1.2 CC[C@@H]1CC(=O)CCN1 MCULE-7481609929 [0,1,0,1,0,0|1,0,0]=3 5200 B9R1.2 CC[C@@H]1CCCC(=O)C1 MCULE-3781767777 [0,1,0,1,0,0|1,0,0]=3 5201 B9R1.2 CC[C@@H]1COCC(=O)N1 MCULE-9098123465 [0,1,0,1,0,0|1,0,0]=3 5202 B9R1.2 CC[C@@H]1C[C@@H](CCN1)O MCULE-1934337871 [0,1,0,1,0,0|1,0,1]=4 5203 B9R1.2 CC[C@@H]1C[C@@H](CCN1)O MCULE-5295834203 [0,1,0,1,0,0|1,0,1]=4 5204 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-1797323490 [0,1,0,1,0,0|1,0,0]=3 5205 B9R1.2 CC[C@H]1CC(=O)CCN1 MCULE-7692205564 [0,1,0,1,0,0|1,0,0]=3 5206 B9R1.2 CC[C@H]1CCCC(=O)C1 MCULE-5055612080 [0,1,0,1,0,0|1,0,0]=3 5207 B9R1.2 CC[C@H]1CNCC(=O)N1 MCULE-5604046217 [0,1,0,1,0,0|2,0,0]=4 5208 B9R1.2 CN1CCC=C(C1)CO MCULE-2390066477 [0,1,0,1,0,0|2,0,0]=4 5209 B9R1.2 CNC1CCCC(C1)O MCULE-3150330707 [0,1,0,1,0,0|1,0,1]=4 5210 B9R1.2 CN[C@@H]1CCC[C@@H](C1)O MCULE-1060958874 [0,1,0,1,0,0|1,0,1]=4 5211 B9R1.2 CN[C@@H]1CCC[C@@H](C1)O MCULE-9730712811 [0,1,0,1,0,0|1,0,1]=4 5212 B9R1.2 CN[C@@H]1CCC[C@H](C1)O MCULE-6828213328 [0,1,0,1,0,0|1,0,1]=4 5213 B9R1.2 CN[C@H]1CCC[C@@H](C1)O MCULE-2291380032 [0,1,0,1,0,0|1,0,1]=4 5214 B9R1.2 CN[C@H]1CCC[C@@H](C1)O MCULE-3803581681 [0,1,0,1,0,0|1,0,1]=4 5215 B9R1.2 CN[C@H]1CCC[C@H](C1)O MCULE-2111305075 [0,1,0,1,0,0|1,0,1]=4 5216 B9R1.2 CN[C@H]1CCC[C@H](C1)O MCULE-2407641582 [0,1,0,1,0,0|1,0,1]=4 5217 B9R1.2 COC1=CCCN(C1)C MCULE-3720745159 [0,1,0,1,0,0|2,0,0]=4 5218 B9R1.2 COC1CCCC(=O)C1 MCULE-4121364026 [0,1,0,1,0,0|1,0,0]=3 5219 B9R1.2 COC1CCCC(=O)N1 MCULE-3771491986 [0,1,0,1,0,0|2,0,0]=4 5220 B9R1.2 COC1CCCC(C1)O MCULE-2685242786 [0,1,0,1,0,0|1,0,1]=4 5221 B9R1.2 CO[C@@H]1CCC[C@@H](C1)O MCULE-3702179990 [0,1,0,1,0,0|1,0,1]=4 5222 B9R1.2 CO[C@@H]1CCC[C@@H](C1)O MCULE-5015018919 [0,1,0,1,0,0|1,0,1]=4 5223 B9R1.2 CO[C@@H]1CCC[C@@H](C1)O MCULE-6057275148 [0,1,0,1,0,0|1,0,1]=4 5224 B9R1.2 CSC1CCCC(=O)C1 MCULE-3076571291 [0,1,0,1,0,0|1,0,0]=3 5225 B9R1.2 CSC1CCCC(C1)O MCULE-7728689337 [0,1,0,1,0,0|1,0,1]=4 5226 B9R1.2 N#CC1CCCC(=O)C1 MCULE-7187855455 [0,1,0,1,0,0|1,0,1]=4 5227 B9R1.2 N#CC1CCNC(=O)C1 MCULE-8868530643 [0,1,0,1,0,0|1,0,1]=4 5228 B9R1.2 NCC1CCCC(=O)N1 MCULE-2515108436 [0,1,0,1,0,0|2,0,0]=4 5229 B9R1.2 NCC1CCCC(=O)N1 MCULE-2893640240 [0,1,0,1,0,0|2,0,0]=4 5230 B9R1.2 NCC1CCCC(=O)N1 MCULE-4568961930 [0,1,0,1,0,0|2,0,0]=4 5231 B9R1.2 NCC1CCCC(C1)O MCULE-3067555499 [0,1,0,1,0,0|1,0,1]=4 5232 B9R1.2 NCC1CCNC(=O)C1 MCULE-8340928139 [0,1,0,1,0,0|1,0,0]=3 5233 B9R1.2 NCC1CCNC(=O)C1 MCULE-9503049309 [0,1,0,1,0,0|1,0,0]=3 5234 B9R1.2 NCC1CCNC(=O)N1 MCULE-7299072097 [0,1,0,1,0,0|2,0,0]=4 5235 B9R1.2 NCC1CCNC(=O)O1 MCULE-4253031438 [0,1,0,1,0,0|2,0,0]=4 5236 B9R1.2 NC[C@@H]1CCC[C@H](C1)O MCULE-9062593795 [0,1,0,1,0,0|1,0,1]=4 5237 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-6439919372 [0,1,0,1,0,0|1,0,0]=3 5238 B9R1.2 NC[C@H]1CCNC(=O)C1 MCULE-8074777058 [0,1,0,1,0,0|1,0,0]=3 5239 B9R1.2 O=C1C=C(CCO1)CO MCULE-1101464960 [0,1,0,1,0,0|0,0,2]=4 5240 B9R1.2 O=C1CC(CCN1)CBr MCULE-5514747029 [0,1,0,1,0,0|1,0,0]=3 5241 B9R1.2 O=C1CC(CCN1)CO MCULE-9526076179 [0,1,0,1,0,0|1,0,0]=3 5242 B9R1.2 O=C1CCCC(C1)CF MCULE-4859859394 [0,1,0,1,0,0|1,0,0]=3 5243 B9R1.2 O=C1CCCC(C1)CO MCULE-5732276352 [0,1,0,1,0,0|1,0,0]=3 5244 B9R1.2 O=C1CCCC(N1)CO MCULE-6546170250 [0,1,0,1,0,0|2,0,0]=4 5245 B9R1.2 O=C1CCC[C@@H](N1)CO MCULE-6845836782 [0,1,0,1,0,0|2,0,0]=4 5246 B9R1.2 O=C1CCC[C@H](C1)CO MCULE-7659844168 [0,1,0,1,0,0|1,0,0]=3 5247 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-2745722091 [0,1,0,1,0,0|2,0,0]=4 5248 B9R1.2 O=C1CCC[C@H](N1)CO MCULE-3358051383 [0,1,0,1,0,0|2,0,0]=4 5249 B9R1.2 O=C1COCC(N1)CO MCULE-2108098178 [0,1,0,1,0,0|2,0,0]=4 5250 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-1640734818 [0,1,0,1,0,0|2,0,0]=4 5251 B9R1.2 O=C1COC[C@@H](N1)CO MCULE-6633625871 [0,1,0,1,0,0|2,0,0]=4 5252 B9R1.2 O=C1C[C@H](CCN1)CO MCULE-5682710079 [0,1,0,1,0,0|1,0,0]=3 5253 B9R1.2 O=S1OCCC(O1)CCl MCULE-2917940908 [0,1,0,1,0,0|2,0,0]=4 5254 B9R1.2 OC1CCCC(C1)CCl MCULE-3541903770 [0,1,0,1,0,0|1,0,1]=4 5255 B9R1.124 CCC1(CC(=O)C1)CC MCULE-7482779268 [0,1,0,1,0,0|1,0,0]=3 5256 B9R1.124 O=C1CC(C1)(CF)CF MCULE-2018058434 [0,1,0,1,0,0|2,0,0]=4 5257 B9R1.124 O=C1CC(C1)(CO)CO MCULE-4534541678 [0,1,0,1,0,0|2,0,0]=4 5258 B9R1.128 COC1(CC1)CC(=O)O MCULE-1379689122 [0,1,0,1,0,0|0,0,0]=2 5259 B9R1.128 N#CC1(CC1)CC(=O)O MCULE-5123449999 [0,1,0,1,0,0|0,0,1]=3 5260 B9R1.128 NCC1(CC1)CC(=O)N MCULE-4131038224 [0,1,0,1,0,0|1,0,0]=3 5261 B9R1.128 NCC1(CC1)CC(=O)N MCULE-7373176417 [0,1,0,1,0,0|1,0,0]=3 5262 B9R1.128 NCC1(CC1)CC(=O)O MCULE-5672358915 [0,1,0,1,0,0|0,0,0]=2 5263 B9R1.128 NCC1(CC1)CC(=O)O MCULE-9536586933 [0,1,0,1,0,0|0,0,0]=2 5264 B9R1.128 O=C(O)CC1(CC1)CO MCULE-8706737331 [0,1,0,1,0,0|0,0,0]=2 5265 B9R1.128 O=C(O)CC1(CC1)CS MCULE-2805511819 [0,1,0,1,0,0|0,0,0]=2 5266 B9R1.23 CN1CC(CC1=O)CBr MCULE-7453728228 [0,1,0,1,0,0|2,0,0]=4 5267 B9R1.23 CN1CC(CC1=O)CCl MCULE-8799305574 [0,1,0,1,0,0|2,0,0]=4 5268 B9R1.23 CN1CC(CC1=O)CI MCULE-6797145294 [0,1,0,1,0,0|2,0,0]=4 5269 B9R1.23 CN1CC(CC1=O)CN MCULE-4610214501 [0,1,0,1,0,0|2,0,0]=4 5270 B9R1.23 CN1CC(CC1=O)CN MCULE-5425833484 [0,1,0,1,0,0|2,0,0]=4 5271 B9R1.23 CN1CC(CC1=O)CN MCULE-7603285273 [0,1,0,1,0,0|2,0,0]=4 5272 B9R1.23 CN1CC(CC1=O)CO MCULE-9935755485 [0,1,0,1,0,0|2,0,0]=4 5273 B9R1.23 CN1C[C@H](CC1=O)CN MCULE-2488884693 [0,1,0,1,0,0|2,0,0]=4 5274 B9R1.23 CN1C[C@H](CC1=O)CN MCULE-3111089731 [0,1,0,1,0,0|2,0,0]=4 5275 B9R1.23 CN1C[C@H](CC1=O)CO MCULE-7091140885 [0,1,0,1,0,0|2,0,0]=4 5276 B9R1.23 CNC1CC(=O)N(C1)C MCULE-9621015704 [0,1,0,1,0,0|2,0,0]=4 5277 B9R1.79 COC(=O)C=C1CCC1 MCULE-7476214558 [0,1,0,1,0,0|0,0,2]=4 5278 B9R1.79 COC(=O)CC1CCC1 MCULE-7297223119 [0,1,0,1,0,0|0,0,0]=2 5279 B9R1.79 COC(=O)CC1CCN1 MCULE-5492491091 [0,1,0,1,0,0|1,0,0]=3 5280 B9R1.79 COC(=O)CC1CCN1 MCULE-7371172089 [0,1,0,1,0,0|1,0,0]=3 5281 B9R1.79 COC(=O)CC1CNC1 MCULE-2445048395 [0,1,0,1,0,0|1,0,0]=3 5282 B9R1.79 COC(=O)CC1CNC1 MCULE-9252830951 [0,1,0,1,0,0|1,0,0]=3 5283 B9R1.79 COC(=O)CC1CNC1 MCULE-9300092140 [0,1,0,1,0,0|1,0,0]=3 5284 B9R1.79 COC(=O)CC1COC1 MCULE-7278428922 [0,1,0,1,0,0|1,0,0]=3 5285 B9R1.79 COC(=O)C[C@@H]1CCN1 MCULE-4458752801 [0,1,0,1,0,0|1,0,0]=3 5286 B9R1.79 COC(=O)C[C@@H]1CCN1 MCULE-7871731865 [0,1,0,1,0,0|1,0,0]=3 5287 B9R1.79 COC(=O)C[C@H]1CCN1 MCULE-3605148245 [0,1,0,1,0,0|1,0,0]=3 5288 B9R1.79 COC(=O)C[C@H]1CCN1 MCULE-5459320153 [0,1,0,1,0,0|1,0,0]=3 5289 B9R1.79 COC(=O)NC1CNC1 MCULE-2457680238 [0,1,0,1,0,0|2,0,0]=4 5290 B9R1.79 COC(=O)NC1CNC1 MCULE-4613885212 [0,1,0,1,0,0|2,0,0]=4 5291 B9R1.79 NC(CO)CC1CCC1 MCULE-2309333579 [0,1,0,1,0,0|1,0,1]=4 5292 B9R1.79 NC(CO)CC1CCC1 MCULE-6676177211 [0,1,0,1,0,0|1,0,1]=4 5293 B9R1.79 NCC(=O)NC1CCC1 MCULE-8040360542 [0,1,0,1,0,0|2,0,0]=4 5294 B9R1.79 NCC(=O)NC1CCC1 MCULE-8774684705 [0,1,0,1,0,0|2,0,0]=4 5295 B9R1.79 O=C(CBr)CC1CCC1 MCULE-1237225227 [0,1,0,1,0,0|1,0,0]=3 5296 B9R1.79 O=C(CCl)NC1CCC1 MCULE-6436866875 [0,1,0,1,0,0|2,0,0]=4 5297 B9R1.88 C#C[C@H]1C[C@H]1C(=O)OC MCULE-9790953077 [0,1,0,1,0,0|0,0,2]=4 5298 B9R1.88 COC(=O)C1CC1C#N MCULE-8556811571 [0,1,0,1,0,0|1,0,1]=4 5299 B9R1.88 COC(=O)C1CC1CN MCULE-1236079239 [0,1,0,1,0,0|1,0,0]=3 5300 B9R1.88 COC(=O)C1CC1CN MCULE-4562850748 [0,1,0,1,0,0|1,0,0]=3 5301 B9R1.88 COC(=O)C1CC1CO MCULE-5565427339 [0,1,0,1,0,0|1,0,0]=3 5302 B9R1.88 COC(=O)[C@@H]1C[C@H]1CBr MCULE-3300025556 [0,1,0,1,0,0|1,0,0]=3 5303 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-3830996710 [0,1,0,1,0,0|1,0,0]=3 5304 B9R1.88 COC(=O)[C@@H]1C[C@H]1CO MCULE-8401143479 [0,1,0,1,0,0|1,0,0]=3 5305 B9R1.88 COC(=O)[C@H]1C[C@@H]1CO MCULE-2397945276 [0,1,0,1,0,0|1,0,0]=3 5306 B9R1.88 COC(=O)[C@H]1O[C@@H]1CO MCULE-8447681594 [0,1,0,1,0,0|2,0,0]=4 5307 B9R1.113 COC(=O)CC1(CC1)N MCULE-1706721546 [0,1,0,1,0,0|1,0,0]=3 5308 B9R1.113 COC(=O)CC1(CC1)N MCULE-8037085673 [0,1,0,1,0,0|1,0,0]=3 5309 B9R1.36 CC1CS(=O)(=O)CC1N MCULE-2775896600 [0,1,0,1,0,0|1,0,1]=4 5310 B9R1.36 CC1CS(=O)(=O)CC1N MCULE-5682066288 [0,1,0,1,0,0|1,0,1]=4 5311 B9R1.152 C=C(C)C1(CC(=O)N1)C MCULE-1394575254 [0,1,0,1,0,0|1,0,1]=4 5312 B9R1.161 CC(C)C1CC1C(=O)O MCULE-4298027549 [0,1,0,1,0,0|0,0,0]=2 5313 B9R1.161 NC(=O)C1CC1C(=O)O MCULE-6146043873 [0,1,0,1,0,0|1,0,1]=4 5314 B9R1.161 O=C(O)C1CC1C(=O)O MCULE-5636831869 [0,1,0,1,0,0|1,0,1]=4 5315 B9R1.161 O=C(O)C1CC1C(F)F MCULE-6859776096 [0,1,0,1,0,0|1,0,0]=3 5316 B9R1.161 O=C(O)C1CC1N(=O)=O MCULE-4711426088 [0,1,0,1,0,0|2,0,0]=4 5317 B9R1.161 O=C(O)[C@@H]1C[C@@H]1C(F)F MCULE-4810792751 [0,1,0,1,0,0|1,0,0]=3 5318 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-2176178577 [0,1,0,1,0,0|1,0,1]=4 5319 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-7341169681 [0,1,0,1,0,0|1,0,1]=4 5320 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(=O)O MCULE-9766210553 [0,1,0,1,0,0|1,0,1]=4 5321 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-1011454400 [0,1,0,1,0,0|1,0,0]=3 5322 B9R1.161 O=C(O)[C@@H]1C[C@H]1C(F)F MCULE-8959639977 [0,1,0,1,0,0|1,0,0]=3 5323 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-8230558967 [0,1,0,1,0,0|1,0,1]=4 5324 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(=O)O MCULE-9433538416 [0,1,0,1,0,0|1,0,1]=4 5325 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-4761495090 [0,1,0,1,0,0|1,0,0]=3 5326 B9R1.161 O=C(O)[C@H]1C[C@@H]1C(F)F MCULE-9106908377 [0,1,0,1,0,0|1,0,0]=3 5327 B9R1.161 O=C(O)[C@H]1C[C@@H]1[N+](=O)[O-] MCULE-1350888359 [0,1,0,1,0,0|2,0,0]=4 5328 B9R1.161 O=C(O)[C@H]1C[C@H]1C(=O)O MCULE-4280807741 [0,1,0,1,0,0|1,0,1]=4 5329 B9R1.161 O=C(O)[C@H]1C[C@H]1C(F)F MCULE-9137583199 [0,1,0,1,0,0|1,0,0]=3 5330 B9R1.164 CC(N)C1CS(=O)(=O)C1 MCULE-2871714740 [0,1,0,1,0,0|1,0,1]=4 5331 B9R1.164 CC(N)C1CS(=O)(=O)C1 MCULE-5312489357 [0,1,0,1,0,0|1,0,1]=4 5332 B9R1.170 CC(=O)CC1CC1(F)F MCULE-1894478460 [0,1,0,1,0,0|2,0,0]=4 5333 B9R1.170 CC1(CC1CC(=O)O)C MCULE-4662857705 [0,1,0,1,0,0|0,0,0]=2 5334 B9R1.170 O=C(O)CC1CC1(Cl)Cl MCULE-1943383074 [0,1,0,1,0,0|1,0,0]=3 5335 B9R1.170 O=C(O)CC1CC1(F)F MCULE-4535964880 [0,1,0,1,0,0|1,0,0]=3 5336 B9R1.170 O=C(O)C[C@H]1CC1(F)F MCULE-7984243726 [0,1,0,1,0,0|1,0,0]=3 5337 B9R1.114 NS(=O)(=O)CC1CCC1 MCULE-6875433725 [0,1,0,1,0,0|1,0,1]=4 5338 B9R1.114 O=S(=O)(Cl)CC1CCC1 MCULE-3531867654 [0,1,0,1,0,0|1,0,1]=4 5339 B9R1.114 O=S(=O)(F)CC1CCC1 MCULE-4785387566 [0,1,0,1,0,0|1,0,1]=4 5340 B9R1.114 O=S(=O)([O-])CC1CCC1 MCULE-2614973218 [0,1,0,1,0,0|1,0,1]=4 5341 B9R1.114 O=S(=O)([O-])CC1CCC1 MCULE-7658240300 [0,1,0,1,0,0|1,0,1]=4 5342 B9R1.145 CC1(CC1)CS(=O)(=O)Cl MCULE-1316953349 [0,1,0,1,0,0|1,0,1]=4 5343 B9R1.146 CC1(CCS(=O)(=O)C1)Br MCULE-9697135485 [0,1,0,1,0,0|1,0,1]=4 5344 B9R1.146 CC1(CCS(=O)(=O)C1)N MCULE-1622028320 [0,1,0,1,0,0|1,0,1]=4 5345 B9R1.146 CC1(CCS(=O)(=O)C1)N MCULE-3413973551 [0,1,0,1,0,0|1,0,1]=4 5346 B9R1.146 CC1(CCS(=O)(=O)C1)O MCULE-8229668499 [0,1,0,1,0,0|1,0,1]=4 5347 B9R1.146 C[C@@]1(CCS(=O)(=O)C1)N MCULE-2880224003 [0,1,0,1,0,0|1,0,1]=4 5348 B9R1.146 C[C@@]1(CCS(=O)(=O)C1)N MCULE-9371741380 [0,1,0,1,0,0|1,0,1]=4 5349 B9R1.146 C[C@]1(CCS(=O)(=O)C1)N MCULE-5474639854 [0,1,0,1,0,0|1,0,1]=4 5350 B9R1.146 C[C@]1(CCS(=O)(=O)C1)N MCULE-9653680627 [0,1,0,1,0,0|1,0,1]=4 5351 B9R1.166 C1(NCC1(C)C)C(=O)O MCULE-8091738282 [0,1,0,1,0,0|1,0,0]=3 5352 B9R1.166 CC1(CCC1C(=O)O)C MCULE-4099946993 [0,1,0,1,0,0|0,0,0]=2 5353 B9R1.166 CC1(CNC1C(=O)O)C MCULE-8386082188 [0,1,0,1,0,0|1,0,0]=3 5354 B9R1.166 CC1(CNC1C(=O)O)C MCULE-9067770862 [0,1,0,1,0,0|1,0,0]=3 5355 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-3707363843 [0,1,0,1,0,0|1,0,0]=3 5356 B9R1.166 CC1(CN[C@@H]1C(=O)O)C MCULE-5671349948 [0,1,0,1,0,0|1,0,0]=3 5357 B9R1.166 CC1(CN[C@H]1C(=O)O)C MCULE-3480839319 [0,1,0,1,0,0|1,0,0]=3 5358 B9R1.166 O=C(O)C1CCC1(F)F MCULE-5646109920 [0,1,0,1,0,0|1,0,0]=3 5359 B9R1.166 O=C(O)C1CCS1(=O)=O MCULE-9812910264 [0,1,0,1,0,0|2,0,0]=4 5360 B9R1.166 O=C(O)[C@@H]1CCC1(F)F MCULE-1777760238 [0,1,0,1,0,0|1,0,0]=3 5361 B9R1.166 O=C(O)[C@H]1CCC1(F)F MCULE-9140397233 [0,1,0,1,0,0|1,0,0]=3 5362 B9R2.20 O=C1OCC2C1CC2 MCULE-4454485399 [0,0,0,2,0,0|0,0,0]=2 5363 B9R2.20 O=C1OC[C@@H]2[C@@H]1CC2 MCULE-8016618193 [0,0,0,2,0,0|0,0,0]=2 5364 B9R2.39 O=C1CC2CC1CN2 MCULE-1513637451 [0,0,0,2,0,0|2,0,0]=4 5365 B9R2.39 O=C1CC2CC1CN2 MCULE-8245110165 [0,0,0,2,0,0|2,0,0]=4 5366 B9R2.39 O=C1CC2CCC1C2 MCULE-2467634489 [0,0,0,2,0,0|1,0,0]=3 5367 B9R2.39 O=C1CC2CCC1N2 MCULE-2060564396 [0,0,0,2,0,0|2,0,0]=4 5368 B9R2.39 O=C1CC2CCC1N2 MCULE-3298355504 [0,0,0,2,0,0|2,0,0]=4 5369 B9R2.39 O=C1CC2CCC1O2 MCULE-3122768457 [0,0,0,2,0,0|2,0,0]=4 5370 B9R2.39 O=C1CC2CNC1C2 MCULE-1302527504 [0,0,0,2,0,0|2,0,0]=4 5371 B9R2.39 O=C1CC2CNC1C2 MCULE-3367580397 [0,0,0,2,0,0|2,0,0]=4 5372 B9R2.39 O=C1CN2CCC1C2 MCULE-2930167084 [0,0,0,2,0,0|2,0,0]=4 5373 B9R2.39 O=C1CN2CCC1C2 MCULE-6962814008 [0,0,0,2,0,0|2,0,0]=4 5374 B9R2.39 O=C1C[C@@H]2CC[C@H]1C2 MCULE-9992741520 [0,0,0,2,0,0|1,0,0]=3 5375 B9R2.39 O=C1C[C@H]2CC[C@@H]1C2 MCULE-2228698965 [0,0,0,2,0,0|1,0,0]=3 5376 B9R2.39 O=C1NC2CCC1C2 MCULE-2050587567 [0,0,0,2,0,0|2,0,0]=4 5377 B9R2.39 O=C1N[C@@H]2CC[C@H]1C2 MCULE-2601085316 [0,0,0,2,0,0|2,0,0]=4 5378 B9R2.39 O=C1N[C@H]2CC[C@@H]1C2 MCULE-6863863448 [0,0,0,2,0,0|2,0,0]=4 5379 B9R2.39 OC1CC2CCC1C2 MCULE-6414891759 [0,0,0,2,0,0|1,0,1]=4 5380 B9R2.39 OC1C[C@@H]2CC[C@H]1C2 MCULE-9639323400 [0,0,0,2,0,0|1,0,1]=4 5381 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1C2 MCULE-4979276205 [0,0,0,2,0,0|1,0,1]=4 5382 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 MCULE-6071426979 [0,0,0,2,0,0|1,0,1]=4 5383 B9R2.39 [C@@H]1(C[C@@H]2CC[C@H]1C2)O MCULE-6218681459 [0,0,0,2,0,0|1,0,1]=4 5384 B9R2.39 [C@H]12CCN(C1)CC2=O MCULE-4642920839 [0,0,0,2,0,0|2,0,0]=4 5385 B9R2.39 [C@H]12CC[C@H](C1)C(=O)N2 MCULE-3838940137 [0,0,0,2,0,0|2,0,0]=4 5386 B9R2.39 [C@H]12CC[C@H](C1)CC2=O MCULE-1488894938 [0,0,0,2,0,0|1,0,0]=3 5387 B9R2.39 [C@H]12CC[C@H](C1)CC2O MCULE-7175651186 [0,0,0,2,0,0|1,0,1]=4 5388 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](C2)O MCULE-4118507960 [0,0,0,2,0,0|1,0,1]=4 5389 B9R2.39 [C@H]12CC[C@H](C1)[C@@H](C2)O MCULE-9141970579 [0,0,0,2,0,0|1,0,1]=4 5390 B9R2.39 [C@H]12CC[C@H](C1)[C@H](C2)O MCULE-4746309717 [0,0,0,2,0,0|1,0,1]=4 5391 B9R2.39 [C@H]12CC[C@H](C1)[C@H](C2)O MCULE-5454625797 [0,0,0,2,0,0|1,0,1]=4 5392 B9R2.110 OC12CCC(C1)CC2 MCULE-6779700955 [0,0,0,2,0,0|1,0,1]=4 5393 B9R2.139 O=C1CC2(CC2)CN1 MCULE-7165257937 [0,0,0,2,0,0|1,0,0]=3 5394 B9R2.139 O=C1CC2(CC2)CO1 MCULE-1305676940 [0,0,0,2,0,0|0,0,0]=2 5395 B9R2.139 O=C1CCC2(C1)CC2 MCULE-5619539726 [0,0,0,2,0,0|1,0,0]=3 5396 B9R2.139 O=C1CCC2(N1)CC2 MCULE-2706136990 [0,0,0,2,0,0|2,0,0]=4 5397 B9R2.139 O=C1NC2(CC2)CO1 MCULE-1385962947 [0,0,0,2,0,0|1,0,0]=3 5398 B9R2.139 O=C1NCC2(O1)CC2 MCULE-6216048113 [0,0,0,2,0,0|2,0,0]=4 5399 B9R2.139 OC1CCC2(C1)CC2 MCULE-7469775678 [0,0,0,2,0,0|1,0,1]=4 5400 B9R2.8 O=C1CC2CC(C1)C2 MCULE-9643976907 [0,0,0,2,0,0|1,0,0]=3 5401 B9R2.8 O=C1CC2CC(C1)N2 MCULE-3666889878 [0,0,0,2,0,0|2,0,0]=4 5402 B9R2.21 CC1CCC2OC2C1 MCULE-6465413460 [0,0,0,2,0,0|1,0,1]=4 5403 B9R2.21 O=C1CC2CC2CN1 MCULE-8535104450 [0,0,0,2,0,0|1,0,0]=3 5404 B9R2.21 O=C1CCC2CC2N1 MCULE-1049659983 [0,0,0,2,0,0|2,0,0]=4 5405 B9R2.25 O=C1OC(=O)C2C1C2 MCULE-2570796017 [0,0,0,2,0,0|1,0,1]=4 5406 B9R2.109 O=C1CCCC2C1C2 MCULE-3371095042 [0,0,0,2,0,0|1,0,0]=3 5407 B9R2.109 O=C1CCCC2C1O2 MCULE-6955178123 [0,0,0,2,0,0|2,0,0]=4 5408 B9R2.109 O=C1NCCC2C1C2 MCULE-8817732346 [0,0,0,2,0,0|1,0,0]=3 5409 B9R2.109 [C@@H]12CCCC(=O)[C@@H]1C2 MCULE-9081823070 [0,0,0,2,0,0|1,0,0]=3 5410 B9R2.138 O=C1CC2(C1)CCC2 MCULE-4867746638 [0,0,0,2,0,0|1,0,0]=3 5411 B9R2.138 O=C1CC2(C1)CNC2 MCULE-1456586130 [0,0,0,2,0,0|2,0,0]=4 5412 B9R2.138 O=C1CC2(C1)CNC2 MCULE-3478091589 [0,0,0,2,0,0|2,0,0]=4 5413 B9R2.138 O=C1CC2(C1)CNC2 MCULE-7458165844 [0,0,0,2,0,0|2,0,0]=4 5414 B9R2.138 O=C1CC2(C1)COC2 MCULE-4967590901 [0,0,0,2,0,0|2,0,0]=4 5415 B9R2.138 O=C1CC2(C1)CSC2 MCULE-3622201316 [0,0,0,2,0,0|2,0,0]=4 5416 B9R2.138 O=C1CC2(N1)CCC2 MCULE-1390764728 [0,0,0,2,0,0|1,0,0]=3 5417 B9R2.138 O=C1CC2(N1)COC2 MCULE-6115206365 [0,0,0,2,0,0|2,0,0]=4 5418 B9R2.138 OC1CC2(C1)CCC2 MCULE-3102798392 [0,0,0,2,0,0|1,0,1]=4 5419 B9R2.148 O=C(O)C1C2C1CC2 MCULE-2273094599 [0,0,0,2,0,0|0,0,0]=2 5420 B9R2.148 O=C(O)C1C2C1NC2 MCULE-5026622210 [0,0,0,2,0,0|1,0,0]=3 5421 B9R2.143 CC(=O)C1CC12CC2 MCULE-1830516621 [0,0,0,2,0,0|1,0,0]=3 5422 B9R2.143 C[C@@H](O)C1CC12CC2 MCULE-4778185928 [0,0,0,2,0,0|1,0,1]=4 5423 B9R2.143 NC(=O)[C@H]1CC12CC2 MCULE-1517066557 [0,0,0,2,0,0|1,0,0]=3 5424 B9R2.143 O=C(O)C1CC12CC2 MCULE-3123393545 [0,0,0,2,0,0|0,0,0]=2 5425 B9R2.143 O=C(O)[C@H]1CC12CC2 MCULE-5995095647 [0,0,0,2,0,0|0,0,0]=2 5426 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,0,0,0,1,0|0,0,2]=4 5427 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [1,0,0,0,1,0|2,0,0]=4 5428 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,0,0,0,1,0|1,0,1]=4 5429 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,0,0,0,1,0|2,0,0]=4 5430 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,0,0,0,1,0|1,0,0]=3 5431 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,0,0,0,1,0|2,0,0]=4 5432 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,0,0,0,1,0|2,0,0]=4 5433 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,0,0,0,1,0|2,0,0]=4 5434 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,0,0,0,1,0|2,0,0]=4 5435 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,0,0,0,1,0|2,0,0]=4 5436 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,0,0,0,1,0|2,0,0]=4 5437 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,0,0,0,1,0|2,0,0]=4 5438 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,0,0,0,1,0|2,0,0]=4 5439 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,0,0,0,1,0|2,0,0]=4 5440 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,0,0,0,1,0|2,0,0]=4 5441 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,0,0,0,1,0|2,0,0]=4 5442 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,0,0,0,1,0|2,0,0]=4 5443 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,0,0,0,1,0|2,0,0]=4 5444 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,0,0,0,1,0|2,0,0]=4 5445 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,0,0,0,1,0|1,0,0]=3 5446 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,0,0,0,1,0|1,0,0]=3 5447 B5R0.5 CC(C)B(O)O MCULE-1255589444 [1,0,0,0,1,0|1,0,1]=4 5448 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [1,0,0,0,1,0|2,0,0]=4 5449 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [1,0,0,0,1,0|2,0,0]=4 5450 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,0,0,0,1,0|1,0,0]=3 5451 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,0,0,0,1,0|1,0,0]=3 5452 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,0,0,0,1,0|1,0,0]=3 5453 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,0,0,0,1,0|0,0,0]=2 5454 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,0,0,0,1,0|0,1,0]=3 5455 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,0,0,0,1,0|1,1,0]=4 5456 B5R0.5 CC(C)C(C)O MCULE-4829392845 [1,0,0,0,1,0|1,0,1]=4 5457 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [1,0,0,0,1,0|1,0,1]=4 5458 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [1,0,0,0,1,0|2,0,0]=4 5459 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,0,0,0,1,0|1,0,0]=3 5460 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [1,0,0,0,1,0|1,0,1]=4 5461 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [1,0,0,0,1,0|1,0,1]=4 5462 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [1,0,0,0,1,0|1,0,1]=4 5463 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [1,0,0,0,1,0|1,0,1]=4 5464 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,0,0,0,1,0|2,0,0]=4 5465 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,0,0,0,1,0|2,0,0]=4 5466 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,0,0,0,1,0|1,0,0]=3 5467 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,0,0,0,1,0|1,0,0]=3 5468 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,0,0,0,1,0|1,0,0]=3 5469 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,0,0,0,1,0|2,0,0]=4 5470 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,0,0,0,1,0|2,0,0]=4 5471 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,0,0,0,1,0|2,0,0]=4 5472 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,0,0,0,1,0|2,0,0]=4 5473 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,0,0,0,1,0|2,0,0]=4 5474 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,0,0,0,1,0|2,0,0]=4 5475 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,0,0,0,1,0|2,0,0]=4 5476 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,0,0,0,1,0|1,0,0]=3 5477 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,0,0,0,1,0|1,0,0]=3 5478 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,0,0,0,1,0|1,0,0]=3 5479 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,0,0,0,1,0|1,0,0]=3 5480 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,0,0,0,1,0|2,0,0]=4 5481 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,0,0,0,1,0|2,0,0]=4 5482 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,0,0,0,1,0|1,0,0]=3 5483 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,0,0,0,1,0|1,0,0]=3 5484 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,0,0,0,1,0|1,0,1]=4 5485 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,0,0,0,1,0|1,0,1]=4 5486 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,0,0,0,1,0|1,0,1]=4 5487 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,0,0,0,1,0|2,0,0]=4 5488 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,0,0,0,1,0|1,0,0]=3 5489 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,0,0,0,1,0|2,0,0]=4 5490 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,0,0,0,1,0|2,0,0]=4 5491 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,0,0,0,1,0|1,0,0]=3 5492 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,0,0,0,1,0|1,0,1]=4 5493 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,0,0,0,1,0|1,0,0]=3 5494 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,0,0,0,1,0|1,0,0]=3 5495 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,0,0,0,1,0|2,0,0]=4 5496 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,0,0,0,1,0|1,0,0]=3 5497 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,0,0,0,1,0|1,0,0]=3 5498 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,0,0,0,1,0|2,0,0]=4 5499 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,0,0,0,1,0|2,0,0]=4 5500 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,0,0,0,1,0|2,0,0]=4 5501 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,0,0,0,1,0|2,0,0]=4 5502 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,0,0,0,1,0|2,0,0]=4 5503 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,0,0,0,1,0|1,0,0]=3 5504 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,0,0,0,1,0|1,0,0]=3 5505 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,0,0,0,1,0|2,0,0]=4 5506 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,0,0,0,1,0|2,0,0]=4 5507 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,0,0,0,1,0|1,0,0]=3 5508 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,0,0,0,1,0|1,0,0]=3 5509 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,0,0,0,1,0|1,0,1]=4 5510 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,0,0,0,1,0|1,0,1]=4 5511 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,0,0,0,1,0|1,0,1]=4 5512 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,0,0,0,1,0|2,0,0]=4 5513 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,0,0,0,1,0|1,0,0]=3 5514 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,0,0,0,1,0|1,0,0]=3 5515 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,0,0,0,1,0|1,0,0]=3 5516 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,0,0,0,1,0|1,0,0]=3 5517 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,0,0,0,1,0|2,0,0]=4 5518 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,0,0,0,1,0|2,0,0]=4 5519 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,0,0,0,1,0|2,0,0]=4 5520 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,0,0,0,1,0|2,0,0]=4 5521 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,0,0,0,1,0|2,0,0]=4 5522 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,0,0,0,1,0|2,0,0]=4 5523 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,0,0,0,1,0|2,0,0]=4 5524 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,0,0,0,1,0|2,0,0]=4 5525 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,0,0,0,1,0|2,0,0]=4 5526 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,0,0,0,1,0|1,0,0]=3 5527 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,0,0,0,1,0|1,0,0]=3 5528 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,0,0,0,1,0|1,0,0]=3 5529 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,0,0,0,1,0|1,0,0]=3 5530 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,0,0,0,1,0|2,0,0]=4 5531 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,0,0,0,1,0|1,0,0]=3 5532 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,0,0,0,1,0|1,0,0]=3 5533 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,0,0,0,1,0|1,0,1]=4 5534 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,0,0,0,1,0|1,0,1]=4 5535 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,0,0,0,1,0|1,0,1]=4 5536 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,0,0,0,1,0|1,0,1]=4 5537 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,0,0,0,1,0|1,0,1]=4 5538 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,0,0,0,1,0|2,0,0]=4 5539 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,0,0,0,1,0|2,0,0]=4 5540 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,0,0,0,1,0|2,0,0]=4 5541 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,0,0,0,1,0|2,0,0]=4 5542 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,0,0,0,1,0|2,0,0]=4 5543 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,0,0,0,1,0|2,0,0]=4 5544 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,0,0,0,1,0|2,0,0]=4 5545 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,0,0,0,1,0|2,0,0]=4 5546 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,0,0,0,1,0|2,0,0]=4 5547 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,0,0,0,1,0|2,0,0]=4 5548 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,0,0,0,1,0|2,0,0]=4 5549 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,0,0,0,1,0|2,0,0]=4 5550 B9R0.1 CCC(=CCCC(=O)O)C MCULE-6674917264 [0,0,0,0,0,2|0,0,1]=3 5551 B9R0.1 CCC(=O)CCCC(=O)O MCULE-9954859815 [0,0,0,0,0,2|1,0,1]=4 5552 B9R0.1 CCC(=O)NCCC(=O)O MCULE-8290753533 [0,0,0,0,0,2|1,0,1]=4 5553 B9R0.1 CCC(C)CCCC(=O)O MCULE-5124776736 [0,0,0,0,0,2|0,0,0]=2 5554 B9R0.1 CCC(C)CCOC(=O)C MCULE-7887852572 [0,0,0,0,0,2|1,0,0]=3 5555 B9R0.1 CCC(C)NCCC(=O)N MCULE-1926892639 [0,0,0,0,0,2|1,0,0]=3 5556 B9R0.1 CCC(C)NCCC(=O)N MCULE-9191758717 [0,0,0,0,0,2|1,0,0]=3 5557 B9R0.1 CCC(C)OCCC(=O)C MCULE-5228891169 [0,0,0,0,0,2|1,0,0]=3 5558 B9R0.1 COC(C)CCOC(=O)C MCULE-3980717537 [0,0,0,0,0,2|2,0,0]=4 5559 B9R0.1 O=C(O)CCCC(O)CO MCULE-8338266320 [0,0,0,0,0,2|2,0,0]=4