0 B6R0.1 C#C/C(=C\CO)/C MCULE-5643545939 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 C#CC(=CCO)C MCULE-7063837718 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,0,0,0,0,0|2,0,2]=4 6 B6R0.1 C/C(=N\O)/C=N/O MCULE-3049929204 [0,0,0,0,0,0|3,0,1]=4 7 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [0,0,0,0,0,0|4,0,0]=4 12 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,0,0,0,0,0|3,0,0]=3 13 B6R0.1 C=CC(C)CCC MCULE-2692803387 [0,0,0,0,0,0|1,0,2]=3 14 B6R0.1 C=CC(C)CCO MCULE-2890369298 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 C=CC(O)CCC MCULE-3664453040 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [0,0,0,0,0,0|0,0,4]=4 17 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [0,0,0,0,0,0|0,0,4]=4 18 B6R0.1 CC(=CCBr)CBr MCULE-6875050264 [0,0,0,0,0,0|2,0,1]=3 19 B6R0.1 CC(=CCBr)CCl MCULE-3390489656 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.1 CC(=CCN)C#N MCULE-1319014311 [0,0,0,0,0,0|2,0,1]=3 21 B6R0.1 CC(=CCN)C#N MCULE-4924794215 [0,0,0,0,0,0|2,0,1]=3 22 B6R0.1 CC(=CN=O)NO MCULE-1780424821 [0,0,0,0,0,0|3,0,1]=4 23 B6R0.1 CC(=NO)C=NO MCULE-9711224051 [0,0,0,0,0,0|3,0,1]=4 24 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,0,0,0,0,0|0,0,0]=0 25 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,0,0,0,0,0|2,0,2]=4 26 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,0,0,0,0,0|3,0,1]=4 27 B6R0.1 CCC(=CCO)C MCULE-5264054153 [0,0,0,0,0,0|2,0,1]=3 28 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,0,0,0,0,0|2,0,2]=4 29 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,0,0,0,0,0|2,0,2]=4 30 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,0,0,0,0,0|0,0,0]=0 31 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,0,0,0,0,0|1,0,2]=3 32 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,0,0,0,0,0|2,0,2]=4 33 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,0,0,0,0,0|2,0,2]=4 34 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,0,0,0,0,0|2,0,2]=4 35 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,0,0,0,0,0|2,0,2]=4 36 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,0,0,0,0,0|2,0,2]=4 37 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,0,0,0,0,0|1,0,3]=4 38 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,0,0,0,0,0|3,0,1]=4 39 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,0,0,0,0,0|3,0,1]=4 40 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,0,0,0,0,0|2,0,2]=4 41 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,0,0,0,0,0|3,0,1]=4 42 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,0,0,0,0,0|3,0,1]=4 43 B6R0.1 CCCC(=S)OC MCULE-8125476093 [0,0,0,0,0,0|3,0,1]=4 44 B6R0.1 CCCC(C)C#N MCULE-2492294131 [0,0,0,0,0,0|1,0,3]=4 45 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,0,0,0,0,0|0,0,2]=2 46 B6R0.1 CCCC(C)CBr MCULE-3437352091 [0,0,0,0,0,0|1,0,3]=4 47 B6R0.1 CCCC(C)CC MCULE-7082933967 [0,0,0,0,0,0|1,0,3]=4 48 B6R0.1 CCCC(C)CCl MCULE-2381010454 [0,0,0,0,0,0|1,0,3]=4 49 B6R0.1 CCCC(C)CN MCULE-9552289739 [0,0,0,0,0,0|1,0,3]=4 50 B6R0.1 CCCC(C)CO MCULE-9777250826 [0,0,0,0,0,0|0,0,4]=4 51 B6R0.1 CCCC(C)NC MCULE-1560121168 [0,0,0,0,0,0|2,0,2]=4 52 B6R0.1 CCCC(C)NC MCULE-2169396338 [0,0,0,0,0,0|2,0,2]=4 53 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,0,0,0,0,0|3,0,1]=4 54 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,0,0,0,0,0|3,0,1]=4 55 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,0,0,0,0,0|3,0,1]=4 56 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,0,0,0,0,0|3,0,1]=4 57 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,0,0,0,0,0|3,0,1]=4 58 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,0,0,0,0,0|2,0,2]=4 59 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,0,0,0,0,0|4,0,0]=4 60 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,0,0,0,0,0|4,0,0]=4 61 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,0,0,0,0,0|3,0,1]=4 62 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,0,0,0,0,0|4,0,0]=4 63 B6R0.1 CCNC(=S)NN MCULE-9599210899 [0,0,0,0,0,0|4,0,0]=4 64 B6R0.1 CCNC(C)C#N MCULE-2197533334 [0,0,0,0,0,0|2,0,2]=4 65 B6R0.1 CCNC(C)C#N MCULE-2463800188 [0,0,0,0,0,0|2,0,2]=4 66 B6R0.1 CCNC(C)CC MCULE-1017617081 [0,0,0,0,0,0|2,0,2]=4 67 B6R0.1 CCNC(C)CC MCULE-2691229640 [0,0,0,0,0,0|2,0,2]=4 68 B6R0.1 CCNC(C)CO MCULE-4344397973 [0,0,0,0,0,0|1,0,3]=4 69 B6R0.1 CCN[C@@H](C)CO MCULE-5648721449 [0,0,0,0,0,0|1,0,3]=4 70 B6R0.1 CCN[C@H](C)CO MCULE-8047465405 [0,0,0,0,0,0|1,0,3]=4 71 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,0,0,0,0,0|2,0,1]=3 72 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,0,0,0,0,0|2,0,1]=3 73 B6R0.1 CCOC(=N)CC MCULE-4645506860 [0,0,0,0,0,0|3,0,1]=4 74 B6R0.1 CCOC(=N)CC MCULE-9526837631 [0,0,0,0,0,0|3,0,1]=4 75 B6R0.1 CCOC(=N)CCl MCULE-6291047852 [0,0,0,0,0,0|3,0,1]=4 76 B6R0.1 CCOC(=N)CCl MCULE-9207251975 [0,0,0,0,0,0|3,0,1]=4 77 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,0,0,0,0,0|2,0,1]=3 78 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,0,0,0,0,0|3,0,1]=4 79 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,0,0,0,0,0|2,0,0]=2 80 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,0,0,0,0,0|3,0,1]=4 81 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,0,0,0,0,0|3,0,1]=4 82 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,0,0,0,0,0|3,0,1]=4 83 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,0,0,0,0,0|3,0,1]=4 84 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,0,0,0,0,0|3,0,1]=4 85 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,0,0,0,0,0|3,0,1]=4 86 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,0,0,0,0,0|3,0,1]=4 87 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,0,0,0,0,0|2,0,2]=4 88 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,0,0,0,0,0|2,1,1]=4 89 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,0,0,0,0,0|4,0,0]=4 90 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,0,0,0,0,0|4,0,0]=4 91 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,0,0,0,0,0|3,0,1]=4 92 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,0,0,0,0,0|4,0,0]=4 93 B6R0.1 CCOC(=S)SC MCULE-6959447720 [0,0,0,0,0,0|4,0,0]=4 94 B6R0.1 CCOC(C)CC MCULE-5049998907 [0,0,0,0,0,0|2,0,2]=4 95 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,0,0,0,0,0|2,0,2]=4 96 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,0,0,0,0,0|2,0,2]=4 97 B6R0.1 CCOC(C)CO MCULE-1592146913 [0,0,0,0,0,0|1,0,3]=4 98 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,0,0,0,0,0|3,0,1]=4 99 B6R0.1 CCSC(C)C#N MCULE-1159924867 [0,0,0,0,0,0|2,0,2]=4 100 B6R0.1 CN(C=O)CCO MCULE-3588371476 [0,0,0,0,0,0|2,0,1]=3 101 B6R0.1 CN(CCO)N=O MCULE-3975606321 [0,0,0,0,0,0|3,0,1]=4 102 B6R0.1 COCC(C)C=O MCULE-7679332713 [0,0,0,0,0,0|1,0,2]=3 103 B5R0.1 C(C)(N)CCC MCULE-4800297905 [1,0,0,0,0,0|1,0,2]=4 104 B5R0.1 C(C)(N)CCC MCULE-7674864567 [1,0,0,0,0,0|1,0,2]=4 105 B5R0.1 C/C(=C/C#N)/N MCULE-2195544039 [1,0,0,0,0,0|2,0,1]=4 106 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [1,0,0,0,0,0|2,0,0]=3 107 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [1,0,0,0,0,0|2,0,0]=3 108 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [1,0,0,0,0,0|2,0,0]=3 109 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [1,0,0,0,0,0|2,0,0]=3 110 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [1,0,0,0,0,0|0,0,1]=2 111 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [1,0,0,0,0,0|1,0,1]=3 112 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [1,0,0,0,0,0|1,0,1]=3 113 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [1,0,0,0,0,0|1,0,1]=3 114 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [1,0,0,0,0,0|0,0,3]=4 115 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [1,0,0,0,0,0|0,0,3]=4 116 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [1,0,0,0,0,0|2,0,1]=4 117 B5R0.1 C=C(Br)CCO MCULE-3743908958 [1,0,0,0,0,0|2,0,1]=4 118 B5R0.1 C=C(Br)COC MCULE-5349428431 [1,0,0,0,0,0|2,0,1]=4 119 B5R0.1 C=C(C)CCBr MCULE-3439794005 [1,0,0,0,0,0|1,0,1]=3 120 B5R0.1 C=C(C)CCC MCULE-8225129744 [1,0,0,0,0,0|0,0,1]=2 121 B5R0.1 C=C(C)CCCl MCULE-2816016781 [1,0,0,0,0,0|1,0,1]=3 122 B5R0.1 C=C(C)CCI MCULE-6317205481 [1,0,0,0,0,0|1,0,1]=3 123 B5R0.1 C=C(C)CCN MCULE-4037025602 [1,0,0,0,0,0|1,0,1]=3 124 B5R0.1 C=C(C)CCN MCULE-5001503744 [1,0,0,0,0,0|1,0,1]=3 125 B5R0.1 C=C(C)CCO MCULE-2689800711 [1,0,0,0,0,0|1,0,1]=3 126 B5R0.1 C=C(C)CNC MCULE-6783886553 [1,0,0,0,0,0|1,0,1]=3 127 B5R0.1 C=C(C)CNC MCULE-8292313282 [1,0,0,0,0,0|1,0,1]=3 128 B5R0.1 C=C(C)CNN MCULE-1117931770 [1,0,0,0,0,0|2,0,1]=4 129 B5R0.1 C=C(C)CON MCULE-2773974323 [1,0,0,0,0,0|2,0,1]=4 130 B5R0.1 C=C(C)CON MCULE-5978680243 [1,0,0,0,0,0|2,0,1]=4 131 B5R0.1 C=C(C)OCC MCULE-5303468686 [1,0,0,0,0,0|1,0,0]=2 132 B5R0.1 C=CC=C(C)C MCULE-7590870659 [1,0,0,0,0,0|0,0,3]=4 133 B5R0.1 C=CCC(=C)C MCULE-6294070836 [1,0,0,0,0,0|0,0,3]=4 134 B5R0.1 C=CNC(=O)C MCULE-1260296806 [1,0,0,0,0,0|1,0,2]=4 135 B5R0.1 C=COC(=O)C MCULE-7626795765 [1,0,0,0,0,0|1,0,2]=4 136 B5R0.1 CC#CC(=O)C MCULE-4083248904 [1,0,0,0,0,0|0,0,2]=3 137 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [1,0,0,0,0,0|1,0,2]=4 138 B5R0.1 CC#CC(=O)O MCULE-9994142213 [1,0,0,0,0,0|1,0,2]=4 139 B5R0.1 CC(=CC#N)C MCULE-7179601066 [1,0,0,0,0,0|1,0,2]=4 140 B5R0.1 CC(=CC#N)N MCULE-7342293837 [1,0,0,0,0,0|2,0,1]=4 141 B5R0.1 CC(=CC=O)C MCULE-7002222435 [1,0,0,0,0,0|1,0,2]=4 142 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [1,0,0,0,0,0|2,0,1]=4 143 B5R0.1 CC(=CC=O)N MCULE-2659507627 [1,0,0,0,0,0|2,0,1]=4 144 B5R0.1 CC(=CCBr)C MCULE-7961276795 [1,0,0,0,0,0|1,0,1]=3 145 B5R0.1 CC(=CCCl)C MCULE-1110417103 [1,0,0,0,0,0|1,0,1]=3 146 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [1,0,0,0,0,0|2,0,0]=3 147 B5R0.1 CC(=CCI)I MCULE-4204968539 [1,0,0,0,0,0|2,0,0]=3 148 B5R0.1 CC(=CCN)C MCULE-7220252581 [1,0,0,0,0,0|1,0,1]=3 149 B5R0.1 CC(=CCN)C MCULE-8394581250 [1,0,0,0,0,0|1,0,1]=3 150 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [1,0,0,0,0,0|2,0,0]=3 151 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [1,0,0,0,0,0|2,0,0]=3 152 B5R0.1 CC(=CCO)C MCULE-3984123588 [1,0,0,0,0,0|1,0,1]=3 153 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [1,0,0,0,0,0|2,0,0]=3 154 B5R0.1 CC(=CCO)I MCULE-4600854759 [1,0,0,0,0,0|2,0,0]=3 155 B5R0.1 CC(=CCS)C MCULE-4180446913 [1,0,0,0,0,0|1,0,1]=3 156 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [1,0,0,0,0,0|2,0,0]=3 157 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [1,0,0,0,0,0|2,0,0]=3 158 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [1,0,0,0,0,0|1,0,1]=3 159 B5R0.1 CC(=O)C=NO MCULE-5513006918 [1,0,0,0,0,0|2,0,0]=3 160 B5R0.1 CC(=O)CC#N MCULE-7203242552 [1,0,0,0,0,0|1,0,2]=4 161 B5R0.1 CC(=O)CCBr MCULE-2615300206 [1,0,0,0,0,0|1,0,1]=3 162 B5R0.1 CC(=O)CCCl MCULE-8019748964 [1,0,0,0,0,0|1,0,1]=3 163 B5R0.1 CC(=O)CCN MCULE-7550348751 [1,0,0,0,0,0|1,0,1]=3 164 B5R0.1 CC(=O)CCN MCULE-9519063810 [1,0,0,0,0,0|1,0,1]=3 165 B5R0.1 CC(=O)CCO MCULE-6328537335 [1,0,0,0,0,0|1,0,1]=3 166 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [1,0,0,0,0,0|2,0,1]=4 167 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [1,0,0,0,0,0|3,0,0]=4 168 B5R0.1 CC(=O)NC#N MCULE-8444599659 [1,0,0,0,0,0|2,0,1]=4 169 B5R0.1 CC(=O)NCO MCULE-4563335540 [1,0,0,0,0,0|2,0,0]=3 170 B5R0.1 CC(=O)OCBr MCULE-9842804945 [1,0,0,0,0,0|2,0,0]=3 171 B5R0.1 CC(=O)OCCl MCULE-6822222026 [1,0,0,0,0,0|2,0,0]=3 172 B5R0.1 CC(=O)SCBr MCULE-9794607323 [1,0,0,0,0,0|2,0,0]=3 173 B5R0.1 CC=CC(=O)C MCULE-4826977340 [1,0,0,0,0,0|0,0,1]=2 174 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [1,0,0,0,0,0|1,0,1]=3 175 B5R0.1 CC=CC(=O)N MCULE-9693879476 [1,0,0,0,0,0|1,0,1]=3 176 B5R0.1 CC=CC(=O)O MCULE-7970410217 [1,0,0,0,0,0|1,0,1]=3 177 B5R0.1 CC=CC(C)C MCULE-9898453837 [1,0,0,0,0,0|0,0,3]=4 178 B5R0.1 CC=CC(C)O MCULE-4806592836 [1,0,0,0,0,0|0,0,3]=4 179 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [1,0,0,0,0,0|2,0,1]=4 180 B5R0.1 CCC=C(C)C MCULE-2405063894 [1,0,0,0,0,0|0,0,1]=2 181 B5R0.1 CCC=C(F)F MCULE-5180612061 [1,0,0,0,0,0|2,0,0]=3 182 B5R0.1 CCCC(=N)N MCULE-5974105638 [1,0,0,0,0,0|2,0,1]=4 183 B5R0.1 CCCC(=N)N MCULE-9230704591 [1,0,0,0,0,0|2,0,1]=4 184 B5R0.1 CCCC(=O)C MCULE-7174095676 [1,0,0,0,0,0|0,0,1]=2 185 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [1,0,0,0,0,0|1,0,1]=3 186 B5R0.1 CCCC(=O)N MCULE-2712067671 [1,0,0,0,0,0|1,0,1]=3 187 B5R0.1 CCCC(=O)O MCULE-4116382006 [1,0,0,0,0,0|1,0,1]=3 188 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [1,0,0,0,0,0|1,0,1]=3 189 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [1,0,0,0,0,0|1,0,1]=3 190 B5R0.1 CCCC(=S)N MCULE-3529335988 [1,0,0,0,0,0|1,1,1]=4 191 B5R0.1 CCCC(=S)O MCULE-3382199964 [1,0,0,0,0,0|1,0,2]=4 192 B5R0.1 CCCC(C)Br MCULE-3178073667 [1,0,0,0,0,0|1,0,2]=4 193 B5R0.1 CCCC(C)C MCULE-9604552974 [1,0,0,0,0,0|0,0,3]=4 194 B5R0.1 CCCC(C)N MCULE-2640298430 [1,0,0,0,0,0|1,0,2]=4 195 B5R0.1 CCCC(C)N MCULE-7225905167 [1,0,0,0,0,0|1,0,2]=4 196 B5R0.1 CCCC(C)O MCULE-8205906299 [1,0,0,0,0,0|0,0,3]=4 197 B5R0.1 CCCC(C)S MCULE-1649095713 [1,0,0,0,0,0|0,1,2]=4 198 B5R0.1 CCCN(=O)=O MCULE-5615753372 [1,0,0,0,0,0|2,0,1]=4 199 B5R0.1 CCCN(C)C MCULE-8702643596 [1,0,0,0,0,0|1,0,2]=4 200 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [1,0,0,0,0,0|2,0,1]=4 201 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [1,0,0,0,0,0|2,0,1]=4 202 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [1,0,0,0,0,0|1,0,2]=4 203 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [1,0,0,0,0,0|1,0,2]=4 204 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [1,0,0,0,0,0|1,0,2]=4 205 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [1,0,0,0,0,0|1,0,2]=4 206 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [1,0,0,0,0,0|0,0,3]=4 207 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [1,0,0,0,0,0|1,0,2]=4 208 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [1,0,0,0,0,0|1,0,2]=4 209 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [1,0,0,0,0,0|1,0,2]=4 210 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [1,0,0,0,0,0|1,0,2]=4 211 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [1,0,0,0,0,0|0,0,3]=4 212 B5R0.1 CCNC(=N)N MCULE-4729418155 [1,0,0,0,0,0|3,0,0]=4 213 B5R0.1 CCNC(=N)N MCULE-5123343071 [1,0,0,0,0,0|3,0,0]=4 214 B5R0.1 CCNC(=O)C MCULE-7543656350 [1,0,0,0,0,0|1,0,0]=2 215 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [1,0,0,0,0,0|2,0,0]=3 216 B5R0.1 CCNC(=O)N MCULE-1913599861 [1,0,0,0,0,0|2,0,0]=3 217 B5R0.1 CCNC(=S)N MCULE-3849517146 [1,0,0,0,0,0|2,1,0]=4 218 B5R0.1 CCNC(C)C MCULE-8064118469 [1,0,0,0,0,0|1,0,2]=4 219 B5R0.1 CCOC(=N)C MCULE-3060267072 [1,0,0,0,0,0|2,0,0]=3 220 B5R0.1 CCOC(=N)C MCULE-3943786182 [1,0,0,0,0,0|2,0,0]=3 221 B5R0.1 CCOC(=N)N MCULE-3570858508 [1,0,0,0,0,0|3,0,0]=4 222 B5R0.1 CCOC(=N)N MCULE-6061063856 [1,0,0,0,0,0|3,0,0]=4 223 B5R0.1 CCOC(=O)C MCULE-6628539781 [1,0,0,0,0,0|1,0,0]=2 224 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [1,0,0,0,0,0|2,0,0]=3 225 B5R0.1 CCOC(=O)N MCULE-1776877276 [1,0,0,0,0,0|2,0,0]=3 226 B5R0.1 CCOC(=S)C MCULE-3358897597 [1,0,0,0,0,0|1,1,0]=3 227 B5R0.1 CCOC(=S)N MCULE-4649285010 [1,0,0,0,0,0|2,1,0]=4 228 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [1,0,0,0,0,0|2,1,0]=4 229 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [1,0,0,0,0,0|2,1,0]=4 230 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [1,0,0,0,0,0|2,1,0]=4 231 B5R0.1 CCOC(C)C MCULE-1934548340 [1,0,0,0,0,0|1,0,2]=4 232 B5R0.1 CCOC(C)Cl MCULE-8486994638 [1,0,0,0,0,0|2,0,1]=4 233 B5R0.1 CCSC(=N)N MCULE-2161729152 [1,0,0,0,0,0|3,0,0]=4 234 B5R0.1 CCSC(=N)N MCULE-2547252984 [1,0,0,0,0,0|3,0,0]=4 235 B5R0.1 CCSC(=O)C MCULE-8015440229 [1,0,0,0,0,0|1,0,0]=2 236 B5R0.1 CCSC(=S)C MCULE-1502137460 [1,0,0,0,0,0|1,1,0]=3 237 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [1,0,0,0,0,0|2,1,0]=4 238 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [1,0,0,0,0,0|2,1,0]=4 239 B5R0.1 CCSC(C)C MCULE-3738251898 [1,0,0,0,0,0|1,0,2]=4 240 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [1,0,0,0,0,0|3,0,0]=4 241 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [1,0,0,0,0,0|3,0,0]=4 242 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [1,0,0,0,0,0|3,0,0]=4 243 B5R0.1 CN=CN(C)C MCULE-2522407175 [1,0,0,0,0,0|2,0,1]=4 244 B5R0.1 CNCC(=O)C MCULE-3695443024 [1,0,0,0,0,0|1,0,1]=3 245 B5R0.1 CNCC(=O)C MCULE-7402723072 [1,0,0,0,0,0|1,0,1]=3 246 B5R0.1 CNCC(=O)N MCULE-2328887394 [1,0,0,0,0,0|2,0,1]=4 247 B5R0.1 CNCC(=O)N MCULE-3031605853 [1,0,0,0,0,0|2,0,1]=4 248 B5R0.1 CNCC(=O)N MCULE-7300977677 [1,0,0,0,0,0|2,0,1]=4 249 B5R0.1 CNCC(=O)O MCULE-3448356048 [1,0,0,0,0,0|2,0,1]=4 250 B5R0.1 CNCC(=O)O MCULE-4484444573 [1,0,0,0,0,0|2,0,1]=4 251 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [1,0,0,0,0,0|2,0,1]=4 252 B5R0.1 CNN=C(C)C MCULE-6307375856 [1,0,0,0,0,0|2,0,1]=4 253 B5R0.1 CNOC(=O)C MCULE-1464426541 [1,0,0,0,0,0|2,0,0]=3 254 B5R0.1 CNOC(=O)C MCULE-2976282666 [1,0,0,0,0,0|2,0,0]=3 255 B5R0.1 COC=C(C)C MCULE-6348538911 [1,0,0,0,0,0|1,0,1]=3 256 B5R0.1 COCC(=O)C MCULE-7262197587 [1,0,0,0,0,0|1,0,1]=3 257 B5R0.1 COCC(=O)Cl MCULE-5449267495 [1,0,0,0,0,0|2,0,1]=4 258 B5R0.1 COCC(=O)N MCULE-6674958132 [1,0,0,0,0,0|2,0,1]=4 259 B5R0.1 COCC(=O)O MCULE-3945589151 [1,0,0,0,0,0|2,0,1]=4 260 B5R0.1 CONC(=O)C MCULE-6601866630 [1,0,0,0,0,0|2,0,0]=3 261 B5R0.1 CONC(=O)N MCULE-3063713861 [1,0,0,0,0,0|3,0,0]=4 262 B5R0.1 CONC(=S)C MCULE-1876042939 [1,0,0,0,0,0|2,1,0]=4 263 B5R0.1 CS(=O)CCBr MCULE-7846126230 [1,0,0,0,0,0|2,0,1]=4 264 B5R0.1 CS(=O)CCCl MCULE-7012781505 [1,0,0,0,0,0|2,0,1]=4 265 B5R0.1 CS(=O)CCN MCULE-6497874560 [1,0,0,0,0,0|2,0,1]=4 266 B5R0.1 CS(=O)CCN MCULE-8275663766 [1,0,0,0,0,0|2,0,1]=4 267 B5R0.1 CS(=O)CCN MCULE-8330490290 [1,0,0,0,0,0|2,0,1]=4 268 B5R0.1 CS(=O)CCO MCULE-8331553582 [1,0,0,0,0,0|2,0,1]=4 269 B5R0.1 CSC=[N+](C)C MCULE-3818988576 [1,0,0,0,0,0|2,0,1]=4 270 B5R0.1 CSC=[N+](C)C MCULE-8015580251 [1,0,0,0,0,0|2,0,1]=4 271 B5R0.1 CSCC(=O)C MCULE-4131794172 [1,0,0,0,0,0|1,0,1]=3 272 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [1,0,0,0,0,0|2,0,1]=4 273 B5R0.1 CSCC(=O)N MCULE-4865579476 [1,0,0,0,0,0|2,0,1]=4 274 B5R0.1 CSCC(=O)O MCULE-7003418159 [1,0,0,0,0,0|2,0,1]=4 275 B5R0.1 CSCS(=O)C MCULE-3167702486 [1,0,0,0,0,0|2,0,1]=4 276 B5R0.1 CSNC(=O)C MCULE-7350061514 [1,0,0,0,0,0|2,0,0]=3 277 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [1,0,0,0,0,0|2,0,1]=4 278 B5R0.1 ClC(=CCBr)Cl MCULE-5947456231 [1,0,0,0,0,0|3,0,0]=4 279 B5R0.1 ClCC=C(Cl)Cl MCULE-8294724084 [1,0,0,0,0,0|3,0,0]=4 280 B5R0.1 FC(=CCBr)F MCULE-1770710917 [1,0,0,0,0,0|3,0,0]=4 281 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [1,0,0,0,0,0|2,0,1]=4 282 B5R0.1 NC(=O)C=NO MCULE-6447662753 [1,0,0,0,0,0|3,0,0]=4 283 B5R0.1 NC(=O)CCBr MCULE-3930714776 [1,0,0,0,0,0|2,0,1]=4 284 B5R0.1 NC(=O)CCCl MCULE-8300320959 [1,0,0,0,0,0|2,0,1]=4 285 B5R0.1 NC(=O)CCO MCULE-4026170350 [1,0,0,0,0,0|2,0,1]=4 286 B5R0.1 NC(=O)CCS MCULE-7451827717 [1,0,0,0,0,0|2,0,1]=4 287 B5R0.1 NC(=O)NCO MCULE-7403641101 [1,0,0,0,0,0|3,0,0]=4 288 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [1,0,0,0,0,0|3,0,0]=4 289 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [1,0,0,0,0,0|3,0,0]=4 290 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [1,0,0,0,0,0|2,0,1]=4 291 B5R0.1 NCCC(=O)N MCULE-2899414135 [1,0,0,0,0,0|2,0,1]=4 292 B5R0.1 NCCC(=O)N MCULE-6993286668 [1,0,0,0,0,0|2,0,1]=4 293 B5R0.1 NCCC(=O)O MCULE-1344289084 [1,0,0,0,0,0|2,0,1]=4 294 B5R0.1 NCCC(=O)O MCULE-2298605337 [1,0,0,0,0,0|2,0,1]=4 295 B5R0.1 NCCC(=O)O MCULE-9375577631 [1,0,0,0,0,0|2,0,1]=4 296 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [1,0,0,0,0,0|2,0,1]=4 297 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [1,0,0,0,0,0|2,0,1]=4 298 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [1,0,0,0,0,0|2,0,1]=4 299 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [1,0,0,0,0,0|2,0,1]=4 300 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [1,0,0,0,0,0|2,0,1]=4 301 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [1,0,0,0,0,0|3,0,0]=4 302 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [1,0,0,0,0,0|2,0,1]=4 303 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [1,0,0,0,0,0|2,0,1]=4 304 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [1,0,0,0,0,0|2,0,1]=4 305 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [1,0,0,0,0,0|2,0,1]=4 306 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [1,0,0,0,0,0|2,0,1]=4 307 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [1,0,0,0,0,0|2,0,1]=4 308 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [1,0,0,0,0,0|3,0,0]=4 309 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [1,0,0,0,0,0|2,0,1]=4 310 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [1,0,0,0,0,0|2,0,1]=4 311 B5R0.1 O=C(O)C=CI MCULE-7162332129 [1,0,0,0,0,0|2,0,1]=4 312 B5R0.1 O=C(O)C=NO MCULE-2039309679 [1,0,0,0,0,0|3,0,0]=4 313 B5R0.1 O=C(O)CCBr MCULE-2816055853 [1,0,0,0,0,0|2,0,1]=4 314 B5R0.1 O=C(O)CCCl MCULE-8511144183 [1,0,0,0,0,0|2,0,1]=4 315 B5R0.1 O=C(O)CCF MCULE-4382025684 [1,0,0,0,0,0|2,0,1]=4 316 B5R0.1 O=C(O)CCI MCULE-3371354708 [1,0,0,0,0,0|2,0,1]=4 317 B5R0.1 O=C(O)CCO MCULE-3428604829 [1,0,0,0,0,0|2,0,1]=4 318 B5R0.1 O=C(O)CCS MCULE-3211932163 [1,0,0,0,0,0|2,0,1]=4 319 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [1,0,0,0,0,0|2,0,1]=4 320 B5R0.1 O=C([O-])CCO MCULE-4429611588 [1,0,0,0,0,0|2,0,1]=4 321 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [1,0,0,0,0,0|3,0,0]=4 322 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [1,0,0,0,0,0|0,0,3]=4 323 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [1,0,0,0,0,0|0,0,3]=4 324 B5R0.1 [NH+](=CN(C)C)C MCULE-8771175095 [1,0,0,0,0,0|2,0,1]=4 325 B5R0.2 BrC/C=C/CBr MCULE-9004545331 [1,0,0,0,0,0|2,0,1]=4 326 B5R0.2 BrCC=CCBr MCULE-4240565660 [1,0,0,0,0,0|2,0,1]=4 327 B5R0.2 C(=CCCl)CN MCULE-8092426171 [1,0,0,0,0,0|2,0,1]=4 328 B5R0.2 C(=CCCl)CN MCULE-9706120646 [1,0,0,0,0,0|2,0,1]=4 329 B5R0.2 C(=C\CCl)\CN MCULE-3474871402 [1,0,0,0,0,0|2,0,1]=4 330 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [1,0,0,0,0,0|1,0,1]=3 331 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,0,0,0,0,0|1,0,1]=3 332 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,0,0,0,0,0|2,0,1]=4 333 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,0,0,0,0,0|2,0,0]=3 334 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,0,0,0,0,0|1,0,1]=3 335 B5R0.2 C=C/C=C/C=C MCULE-2938938774 [1,0,0,0,0,0|1,0,2]=4 336 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,0,0,0,0,0|1,0,0]=2 337 B5R0.2 C=CC/C=C/C MCULE-8732875285 [1,0,0,0,0,0|1,0,2]=4 338 B5R0.2 C=CCC=CC MCULE-8643449832 [1,0,0,0,0,0|1,0,2]=4 339 B5R0.2 C=CCCCC MCULE-4750698031 [1,0,0,0,0,0|1,0,2]=4 340 B5R0.2 C=CCNCC MCULE-6987567673 [1,0,0,0,0,0|2,0,1]=4 341 B5R0.2 C=CCNCC MCULE-8318544337 [1,0,0,0,0,0|2,0,1]=4 342 B5R0.2 C=CCOCC MCULE-4363356618 [1,0,0,0,0,0|2,0,1]=4 343 B5R0.2 C=CCSCC MCULE-3816911529 [1,0,0,0,0,0|2,0,1]=4 344 B5R0.2 C=COCCC MCULE-4423853666 [1,0,0,0,0,0|2,0,1]=4 345 B5R0.2 CC#CCC=O MCULE-6071390808 [1,0,0,0,0,0|0,0,3]=4 346 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,0,0,0,0,0|0,0,0]=1 347 B5R0.2 CC/C=C/CC MCULE-6762040186 [1,0,0,0,0,0|1,0,1]=3 348 B5R0.2 CC/C=C\C#N MCULE-2648641382 [1,0,0,0,0,0|1,0,1]=3 349 B5R0.2 CC/C=C\CC MCULE-9418110460 [1,0,0,0,0,0|1,0,1]=3 350 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,0,0,0,0,0|0,0,2]=3 351 B5R0.2 CC=CC=CC MCULE-7702675183 [1,0,0,0,0,0|1,0,1]=3 352 B5R0.2 CC=CCCBr MCULE-7329159278 [1,0,0,0,0,0|2,0,1]=4 353 B5R0.2 CC=CCCC MCULE-8736231124 [1,0,0,0,0,0|1,0,1]=3 354 B5R0.2 CC=CCCN MCULE-5129102475 [1,0,0,0,0,0|2,0,1]=4 355 B5R0.2 CC=CCCN MCULE-8500001929 [1,0,0,0,0,0|2,0,1]=4 356 B5R0.2 CC=CCCO MCULE-4302367089 [1,0,0,0,0,0|2,0,1]=4 357 B5R0.2 CC=COCC MCULE-1473170404 [1,0,0,0,0,0|2,0,0]=3 358 B5R0.2 CC=CSSC MCULE-2442770677 [1,0,0,0,0,0|3,0,0]=4 359 B5R0.2 CCC#CC=O MCULE-3889262436 [1,0,0,0,0,0|0,0,2]=3 360 B5R0.2 CCC=CC#N MCULE-1091834842 [1,0,0,0,0,0|1,0,1]=3 361 B5R0.2 CCC=CC=O MCULE-1318250395 [1,0,0,0,0,0|0,0,0]=1 362 B5R0.2 CCC=CCBr MCULE-5326763881 [1,0,0,0,0,0|1,0,1]=3 363 B5R0.2 CCC=CCC MCULE-5435957422 [1,0,0,0,0,0|1,0,1]=3 364 B5R0.2 CCC=CCO MCULE-5633399984 [1,0,0,0,0,0|0,0,2]=3 365 B5R0.2 CCCC=NO MCULE-7364375780 [1,0,0,0,0,0|1,0,2]=4 366 B5R0.2 CCCCC=O MCULE-4736782822 [1,0,0,0,0,0|0,0,2]=3 367 B5R0.2 CCCN=C=O MCULE-9014468293 [1,0,0,0,0,0|1,0,2]=4 368 B5R0.2 CCCNC=O MCULE-6344556391 [1,0,0,0,0,0|1,0,1]=3 369 B5R0.2 CCCOC=O MCULE-3133604529 [1,0,0,0,0,0|1,0,1]=3 370 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,0,0,0,0,0|2,0,0]=3 371 B5R0.2 CCOC=CBr MCULE-5241125671 [1,0,0,0,0,0|2,0,0]=3 372 B5R0.2 CCSCC=O MCULE-8069035019 [1,0,0,0,0,0|1,0,1]=3 373 B5R0.2 COC=CC#N MCULE-4212629233 [1,0,0,0,0,0|2,0,1]=4 374 B5R0.2 COCCC=O MCULE-2812117208 [1,0,0,0,0,0|1,0,2]=4 375 B5R0.2 CSCCC=O MCULE-6273241704 [1,0,0,0,0,0|1,0,2]=4 376 B5R0.2 ClC/C=C/CCl MCULE-3586653669 [1,0,0,0,0,0|2,0,1]=4 377 B5R0.2 ClC/C=C\CCl MCULE-9193094097 [1,0,0,0,0,0|2,0,1]=4 378 B5R0.2 ClCC=CCCl MCULE-9190878082 [1,0,0,0,0,0|2,0,1]=4 379 B5R0.2 N#CC=CCBr MCULE-2538176669 [1,0,0,0,0,0|2,0,1]=4 380 B5R0.2 NC/C=C/CN MCULE-3194321905 [1,0,0,0,0,0|2,0,1]=4 381 B5R0.2 NC/C=C/CN MCULE-8357316852 [1,0,0,0,0,0|2,0,1]=4 382 B5R0.2 NC/C=C\CCl MCULE-7895966955 [1,0,0,0,0,0|2,0,1]=4 383 B5R0.2 NC/C=C\CN MCULE-6310541400 [1,0,0,0,0,0|2,0,1]=4 384 B5R0.2 NC/C=C\CN MCULE-8765736519 [1,0,0,0,0,0|2,0,1]=4 385 B5R0.2 NCC=CCN MCULE-3768809289 [1,0,0,0,0,0|2,0,1]=4 386 B5R0.2 NCC=CCN MCULE-4004493343 [1,0,0,0,0,0|2,0,1]=4 387 B5R0.2 NCC=CCN MCULE-6780035248 [1,0,0,0,0,0|2,0,1]=4 388 B5R0.2 NCC=CCO MCULE-4993379992 [1,0,0,0,0,0|1,0,2]=4 389 B5R0.2 O=CCCCBr MCULE-7239613396 [1,0,0,0,0,0|1,0,2]=4 390 B5R0.2 O=CCCCCl MCULE-3011225716 [1,0,0,0,0,0|1,0,2]=4 391 B5R0.2 O=CCCCI MCULE-3153720790 [1,0,0,0,0,0|1,0,2]=4 392 B5R0.2 O=CCCCO MCULE-8728420992 [1,0,0,0,0,0|1,0,2]=4 393 B5R0.2 O=CNCCO MCULE-3688614090 [1,0,0,0,0,0|2,0,1]=4 394 B5R0.2 O=COCCO MCULE-1922672843 [1,0,0,0,0,0|2,0,1]=4 395 B5R0.2 OC/C=C/CCl MCULE-4378785113 [1,0,0,0,0,0|1,0,2]=4 396 B5R0.2 OC/C=C/CO MCULE-4752272005 [1,0,0,0,0,0|1,0,2]=4 397 B5R0.2 OC/C=C\CO MCULE-2695577582 [1,0,0,0,0,0|1,0,2]=4 398 B5R0.2 OC=CCCBr MCULE-3964604828 [1,0,0,0,0,0|1,0,2]=4 399 B5R0.2 OC=CCCBr MCULE-5728835735 [1,0,0,0,0,0|1,0,2]=4 400 B5R0.2 OCC=CCCl MCULE-7597942117 [1,0,0,0,0,0|1,0,2]=4 401 B5R0.2 OCC=CCO MCULE-9559211408 [1,0,0,0,0,0|1,0,2]=4 402 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,0,0,0,0,0|2,0,1]=4 403 B5R0.3 C/C(=C\Br)/C#N MCULE-5132213304 [1,0,0,0,0,0|2,0,1]=4 404 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,0,0,0,0,0|1,0,0]=2 405 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,0,0,0,0,0|1,0,0]=2 406 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,0,0,0,0,0|0,0,0]=1 407 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,0,0,0,0,0|1,0,0]=2 408 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,0,0,0,0,0|0,0,1]=2 409 B5R0.3 C=C(CC)CBr MCULE-1652422688 [1,0,0,0,0,0|1,0,2]=4 410 B5R0.3 C=C(CC)CC MCULE-9174509622 [1,0,0,0,0,0|1,0,2]=4 411 B5R0.3 C=C(CC)CN MCULE-2269385026 [1,0,0,0,0,0|1,0,2]=4 412 B5R0.3 C=C(CC)CN MCULE-3033447984 [1,0,0,0,0,0|1,0,2]=4 413 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,0,0,0,0,0|0,0,3]=4 414 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [1,0,0,0,0,0|1,0,0]=2 415 B5R0.3 C=CC(=CC)C MCULE-8585683674 [1,0,0,0,0,0|1,0,0]=2 416 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [1,0,0,0,0,0|2,0,1]=4 417 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,0,0,0,0,0|2,0,0]=3 418 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,0,0,0,0,0|3,0,0]=4 419 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,0,0,0,0,0|3,0,0]=4 420 B5R0.3 C=CC(C)CC MCULE-8112547661 [1,0,0,0,0,0|1,0,1]=3 421 B5R0.3 C=CC(C)NC MCULE-1929679074 [1,0,0,0,0,0|2,0,1]=4 422 B5R0.3 C=CC(C)NC MCULE-6382339452 [1,0,0,0,0,0|2,0,1]=4 423 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,0,0,0,0,0|2,0,1]=4 424 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,0,0,0,0,0|2,0,1]=4 425 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,0,0,0,0,0|2,0,1]=4 426 B5R0.3 CC(=CBr)C#N MCULE-9263455697 [1,0,0,0,0,0|2,0,1]=4 427 B5R0.3 CC(=CCl)CCl MCULE-2732105685 [1,0,0,0,0,0|2,0,0]=3 428 B5R0.3 CC(=CI)CI MCULE-3347686188 [1,0,0,0,0,0|2,0,0]=3 429 B5R0.3 CC(=CI)CO MCULE-8491569199 [1,0,0,0,0,0|2,0,0]=3 430 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,0,0,0,0,0|1,0,0]=2 431 B5R0.3 CC(=NO)CS MCULE-9694340512 [1,0,0,0,0,0|2,0,1]=4 432 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [1,0,0,0,0,0|1,0,1]=3 433 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,0,0,0,0,0|2,0,1]=4 434 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,0,0,0,0,0|2,0,1]=4 435 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [1,0,0,0,0,0|1,0,0]=2 436 B5R0.3 CC=C(C)C#N MCULE-4009455127 [1,0,0,0,0,0|1,0,1]=3 437 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,0,0,0,0,0|0,0,0]=1 438 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,0,0,0,0,0|1,0,0]=2 439 B5R0.3 CC=C(C)CCl MCULE-2444762050 [1,0,0,0,0,0|1,0,1]=3 440 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,0,0,0,0,0|3,0,0]=4 441 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,0,0,0,0,0|3,0,0]=4 442 B5R0.3 CCC(=NO)C MCULE-1859652505 [1,0,0,0,0,0|1,0,1]=3 443 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,0,0,0,0,0|2,0,1]=4 444 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,0,0,0,0,0|2,0,1]=4 445 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,0,0,0,0,0|2,0,1]=4 446 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,0,0,0,0,0|2,0,1]=4 447 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,0,0,0,0,0|2,0,1]=4 448 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,0,0,0,0,0|1,0,2]=4 449 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,0,0,0,0,0|3,0,0]=4 450 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,0,0,0,0,0|3,0,0]=4 451 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,0,0,0,0,0|2,0,1]=4 452 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,0,0,0,0,0|3,0,0]=4 453 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,0,0,0,0,0|3,0,0]=4 454 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,0,0,0,0,0|1,0,1]=3 455 B5R0.3 CCC(C)C#N MCULE-6204122967 [1,0,0,0,0,0|1,0,2]=4 456 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,0,0,0,0,0|0,0,1]=2 457 B5R0.3 CCC(C)CBr MCULE-5451416952 [1,0,0,0,0,0|1,0,2]=4 458 B5R0.3 CCC(C)CC MCULE-2542807917 [1,0,0,0,0,0|1,0,2]=4 459 B5R0.3 CCC(C)CCl MCULE-7450386476 [1,0,0,0,0,0|1,0,2]=4 460 B5R0.3 CCC(C)CI MCULE-5444509280 [1,0,0,0,0,0|1,0,2]=4 461 B5R0.3 CCC(C)CN MCULE-2777327284 [1,0,0,0,0,0|1,0,2]=4 462 B5R0.3 CCC(C)CN MCULE-7014901600 [1,0,0,0,0,0|1,0,2]=4 463 B5R0.3 CCC(C)CO MCULE-6521026296 [1,0,0,0,0,0|0,0,3]=4 464 B5R0.3 CCC(C)CS MCULE-7795095685 [1,0,0,0,0,0|0,1,2]=4 465 B5R0.3 CCC(C)NC MCULE-2676584804 [1,0,0,0,0,0|2,0,1]=4 466 B5R0.3 CCC(C)NC MCULE-6158046887 [1,0,0,0,0,0|2,0,1]=4 467 B5R0.3 CCC(C)NN MCULE-6074476998 [1,0,0,0,0,0|2,0,1]=4 468 B5R0.3 CCC(C)NN MCULE-8130021960 [1,0,0,0,0,0|2,0,1]=4 469 B5R0.3 CCC(C)NN MCULE-8519369369 [1,0,0,0,0,0|2,0,1]=4 470 B5R0.3 CCC(C)NO MCULE-1247092627 [1,0,0,0,0,0|1,0,2]=4 471 B5R0.3 CCC(C)NO MCULE-6169819668 [1,0,0,0,0,0|1,0,2]=4 472 B5R0.3 CCC(C)OC MCULE-7354431606 [1,0,0,0,0,0|2,0,1]=4 473 B5R0.3 CCC(C)ON MCULE-2907890438 [1,0,0,0,0,0|2,0,1]=4 474 B5R0.3 CCC(C)ON MCULE-4364205813 [1,0,0,0,0,0|2,0,1]=4 475 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,0,0,0,0,0|1,0,1]=3 476 B5R0.3 CCN(C)C#N MCULE-1247613129 [1,0,0,0,0,0|2,0,1]=4 477 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,0,0,0,0,0|1,0,0]=2 478 B5R0.3 CCN(C)CC MCULE-7207964917 [1,0,0,0,0,0|2,0,1]=4 479 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [1,0,0,0,0,0|1,0,2]=4 480 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [1,0,0,0,0,0|1,0,2]=4 481 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [1,0,0,0,0,0|0,0,3]=4 482 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [1,0,0,0,0,0|0,0,3]=4 483 B5R0.3 CC[C@H](C)C#N MCULE-9118306872 [1,0,0,0,0,0|1,0,2]=4 484 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [1,0,0,0,0,0|1,0,2]=4 485 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [1,0,0,0,0,0|1,0,2]=4 486 B5R0.3 CC[C@H](C)CCl MCULE-6795758745 [1,0,0,0,0,0|1,0,2]=4 487 B5R0.3 CC[C@H](C)CCl MCULE-8147276830 [1,0,0,0,0,0|1,0,2]=4 488 B5R0.3 CC[C@H](C)CI MCULE-9690776923 [1,0,0,0,0,0|1,0,2]=4 489 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [1,0,0,0,0,0|1,0,2]=4 490 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [1,0,0,0,0,0|1,0,2]=4 491 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [1,0,0,0,0,0|1,0,2]=4 492 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [1,0,0,0,0,0|1,0,2]=4 493 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [1,0,0,0,0,0|0,0,3]=4 494 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [1,0,0,0,0,0|0,0,3]=4 495 B5R0.3 CN(C=O)C=O MCULE-7774435044 [1,0,0,0,0,0|2,0,0]=3 496 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,0,0,0,0,0|2,0,0]=3 497 B5R0.3 CON(C)C=O MCULE-6743121315 [1,0,0,0,0,0|2,0,0]=3 498 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [1,0,0,0,0,0|2,0,1]=4 499 B5R0.3 CSC(=NO)C MCULE-1500524467 [1,0,0,0,0,0|2,0,1]=4 500 B5R0.3 Cl/C=C(\Cl)/CCl MCULE-8945457634 [1,0,0,0,0,0|3,0,0]=4 501 B5R0.3 ClC=C(Cl)CCl MCULE-5187224514 [1,0,0,0,0,0|3,0,0]=4 502 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [1,0,0,0,0,0|2,0,0]=3 503 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [1,0,0,0,0,0|2,0,0]=3 504 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [1,0,0,0,0,0|2,0,0]=3 505 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,0,0,0,0,0|2,0,0]=3 506 B5R0.3 O=CC(Br)C=O MCULE-4387864308 [1,0,0,0,0,0|2,0,1]=4 507 B5R0.3 O=CC(Cl)C=O MCULE-4927811862 [1,0,0,0,0,0|2,0,1]=4 508 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,0,0,0,0,0|2,0,1]=4 509 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,0,0,0,0,0|2,0,1]=4 510 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,0,0,0,0,0|2,0,1]=4 511 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,0,0,0,0,0|2,0,1]=4 512 B7R0.2 C/C(=C/N(C)C)/C=O MCULE-5191348171 [0,1,0,0,0,0|1,0,0]=2 513 B7R0.2 C/C(=C\N(C)C)/C=O MCULE-4104391160 [0,1,0,0,0,0|1,0,0]=2 514 B7R0.2 C/C(=N\O)/CC(C)C MCULE-1223937315 [0,1,0,0,0,0|1,0,2]=4 515 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [0,1,0,0,0,0|2,0,1]=4 516 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [0,1,0,0,0,0|2,0,1]=4 517 B7R0.2 C=CC(=O)NC(C)C MCULE-1145721543 [0,1,0,0,0,0|3,0,0]=4 518 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [0,1,0,0,0,0|3,0,0]=4 519 B7R0.2 C=CC(C)CC(C)C MCULE-9111388336 [0,1,0,0,0,0|1,0,2]=4 520 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,1,0,0,0,0|1,0,1]=3 521 B7R0.2 CC(=CN(C)C)C=O MCULE-6590049848 [0,1,0,0,0,0|1,0,0]=2 522 B7R0.2 CC(=NO)CC(C)C MCULE-1446840557 [0,1,0,0,0,0|1,0,2]=4 523 B7R0.2 CC(C)/C=C(\F)/CO MCULE-5089231546 [0,1,0,0,0,0|1,0,2]=4 524 B7R0.2 CC(C)CC(C)C=O MCULE-4209363554 [0,1,0,0,0,0|0,0,2]=3 525 B7R0.2 CC(C)CN(C)N=O MCULE-1639713023 [0,1,0,0,0,0|2,0,1]=4 526 B7R0.2 CC(C)C[C@H](N)C=O MCULE-3713415627 [0,1,0,0,0,0|1,0,2]=4 527 B7R0.2 CCC(=CC(C)C)C MCULE-7337557698 [0,1,0,0,0,0|1,0,1]=3 528 B7R0.2 CN(C)C=C(Br)C=O MCULE-6219650032 [0,1,0,0,0,0|2,0,0]=3 529 B7R0.2 CN(C)C=C(F)C=O MCULE-7113199029 [0,1,0,0,0,0|2,0,0]=3 530 B7R0.2 CN(C)C=C(I)C=O MCULE-5701724761 [0,1,0,0,0,0|2,0,0]=3 531 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,1,0,0,0,0|2,0,1]=4 532 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,1,0,0,0,0|2,0,1]=4 533 B7R0.3 C=C(C=O)CCC#N MCULE-3479954551 [0,1,0,0,0,0|0,0,3]=4 534 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [0,1,0,0,0,0|0,0,2]=3 535 B7R0.3 C=CC(=C)CCCO MCULE-3558306961 [0,1,0,0,0,0|1,0,2]=4 536 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [0,1,0,0,0,0|2,0,1]=4 537 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [0,1,0,0,0,0|2,0,1]=4 538 B7R0.3 C=CC(=O)NCCN MCULE-5552021639 [0,1,0,0,0,0|3,0,0]=4 539 B7R0.3 C=CC(=O)NCCN MCULE-6417335153 [0,1,0,0,0,0|3,0,0]=4 540 B7R0.3 C=CC(=O)NCCO MCULE-2036150536 [0,1,0,0,0,0|3,0,0]=4 541 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [0,1,0,0,0,0|3,0,0]=4 542 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [0,1,0,0,0,0|2,0,1]=4 543 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [0,1,0,0,0,0|3,0,0]=4 544 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [0,1,0,0,0,0|3,0,0]=4 545 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [0,1,0,0,0,0|3,0,0]=4 546 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [0,1,0,0,0,0|3,0,0]=4 547 B7R0.3 CC(C=O)CCC#N MCULE-6355316754 [0,1,0,0,0,0|0,0,3]=4 548 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [0,1,0,0,0,0|3,0,0]=4 549 B7R0.3 CC/C=C/C(C)CC MCULE-2438890702 [0,1,0,0,0,0|1,0,2]=4 550 B7R0.3 CC=C(C)C=NNC MCULE-5058431186 [0,1,0,0,0,0|2,0,0]=3 551 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [0,1,0,0,0,0|3,0,0]=4 552 B7R0.3 CCC=CC(C)CC MCULE-8910467842 [0,1,0,0,0,0|1,0,2]=4 553 B7R0.3 CCCC=C(C)CC MCULE-4699949699 [0,1,0,0,0,0|1,0,1]=3 554 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [0,1,0,0,0,0|1,0,2]=4 555 B7R0.3 CCCCC(Cl)C=O MCULE-7474969991 [0,1,0,0,0,0|1,0,2]=4 556 B7R0.3 CCCC[C@H](C)C=O MCULE-7821873587 [0,1,0,0,0,0|0,0,2]=3 557 B7R0.3 CCO/C=C(/C)\C=O MCULE-3167895853 [0,1,0,0,0,0|0,0,0]=1 558 B7R0.3 CCO/C=C(\C)/C=O MCULE-5904529641 [0,1,0,0,0,0|0,0,0]=1 559 B7R0.3 CCOC=C(C)C=O MCULE-8349392891 [0,1,0,0,0,0|0,0,0]=1 560 B7R0.5 C=C(Br)C(=O)OCC MCULE-3441307956 [0,1,0,0,0,0|3,0,0]=4 561 B7R0.5 C=C(C)C(=O)OCC MCULE-9496497565 [0,1,0,0,0,0|3,0,0]=4 562 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,1,0,0,0,0|0,0,2]=3 563 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,1,0,0,0,0|1,0,2]=4 564 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,1,0,0,0,0|1,0,2]=4 565 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,1,0,0,0,0|0,0,3]=4 566 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [0,1,0,0,0,0|0,0,2]=3 567 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,1,0,0,0,0|1,0,2]=4 568 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,1,0,0,0,0|1,0,2]=4 569 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,1,0,0,0,0|1,0,2]=4 570 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [0,1,0,0,0,0|2,0,1]=4 571 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [0,1,0,0,0,0|2,0,1]=4 572 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [0,1,0,0,0,0|2,0,1]=4 573 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,1,0,0,0,0|1,0,2]=4 574 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,1,0,0,0,0|1,0,2]=4 575 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,1,0,0,0,0|1,0,2]=4 576 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,1,0,0,0,0|1,0,2]=4 577 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,1,0,0,0,0|1,0,2]=4 578 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,1,0,0,0,0|1,0,2]=4 579 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,1,0,0,0,0|0,0,0]=1 580 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,1,0,0,0,0|0,0,2]=3 581 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,1,0,0,0,0|1,0,2]=4 582 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,1,0,0,0,0|0,0,0]=1 583 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,1,0,0,0,0|1,0,0]=2 584 B7R0.5 CCCC(=C(F)F)F MCULE-1831306144 [0,1,0,0,0,0|2,0,1]=4 585 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,1,0,0,0,0|1,0,1]=3 586 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,1,0,0,0,0|1,0,1]=3 587 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,1,0,0,0,0|1,0,1]=3 588 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,1,0,0,0,0|1,0,2]=4 589 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,1,0,0,0,0|1,0,2]=4 590 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,1,0,0,0,0|0,0,2]=3 591 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,1,0,0,0,0|0,0,2]=3 592 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,1,0,0,0,0|0,0,2]=3 593 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,1,0,0,0,0|0,0,2]=3 594 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,1,0,0,0,0|1,0,2]=4 595 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,1,0,0,0,0|1,0,2]=4 596 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,1,0,0,0,0|1,0,2]=4 597 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,1,0,0,0,0|1,0,2]=4 598 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,1,0,0,0,0|1,0,2]=4 599 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,1,0,0,0,0|1,0,2]=4 600 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,1,0,0,0,0|1,0,2]=4 601 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,1,0,0,0,0|1,0,2]=4 602 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,1,0,0,0,0|1,0,2]=4 603 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,1,0,0,0,0|1,0,2]=4 604 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [0,1,0,0,0,0|1,0,1]=3 605 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,1,0,0,0,0|1,0,2]=4 606 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,1,0,0,0,0|1,0,2]=4 607 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,1,0,0,0,0|1,0,2]=4 608 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,1,0,0,0,0|1,0,2]=4 609 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,1,0,0,0,0|1,0,2]=4 610 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,1,0,0,0,0|1,0,2]=4 611 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,1,0,0,0,0|1,0,2]=4 612 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,1,0,0,0,0|1,0,2]=4 613 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,1,0,0,0,0|1,0,2]=4 614 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,1,0,0,0,0|1,0,2]=4 615 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,1,0,0,0,0|1,0,2]=4 616 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,1,0,0,0,0|1,0,2]=4 617 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,1,0,0,0,0|1,0,2]=4 618 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,1,0,0,0,0|2,0,0]=3 619 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,1,0,0,0,0|1,0,1]=3 620 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,1,0,0,0,0|1,0,1]=3 621 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,1,0,0,0,0|1,0,1]=3 622 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,1,0,0,0,0|1,0,1]=3 623 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,1,0,0,0,0|1,0,1]=3 624 B7R0.5 CCOC(=C(F)F)F MCULE-5684410103 [0,1,0,0,0,0|3,0,0]=4 625 B7R0.5 CCOC(=O)C(=N)N MCULE-4853735680 [0,1,0,0,0,0|3,0,0]=4 626 B7R0.5 CCOC(=O)C(=N)N MCULE-9212797796 [0,1,0,0,0,0|3,0,0]=4 627 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,1,0,0,0,0|2,0,0]=3 628 B7R0.5 CCOC(=O)C(=O)Cl MCULE-6454421959 [0,1,0,0,0,0|2,0,0]=3 629 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,1,0,0,0,0|2,0,0]=3 630 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,1,0,0,0,0|2,0,0]=3 631 B7R0.5 CCOC(=O)C(=O)[O-] MCULE-1807862684 [0,1,0,0,0,0|2,0,0]=3 632 B7R0.5 CCOC(=O)C(=S)N MCULE-3285821799 [0,1,0,0,0,0|2,1,0]=4 633 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,1,0,0,0,0|2,0,0]=3 634 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,1,0,0,0,0|1,0,1]=3 635 B7R0.5 CCOC(C)C(=S)N MCULE-2027801148 [0,1,0,0,0,0|1,1,1]=4 636 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,1,0,0,0,0|1,0,1]=3 637 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,1,0,0,0,0|1,0,2]=4 638 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,1,0,0,0,0|1,0,2]=4 639 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,1,0,0,0,0|1,0,2]=4 640 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,1,0,0,0,0|1,0,2]=4 641 B7R0.5 CON=C(C)C(=O)O MCULE-8599774085 [0,1,0,0,0,0|2,0,0]=3 642 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,1,0,0,0,0|1,0,2]=4 643 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,1,0,0,0,0|1,0,2]=4 644 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [0,1,0,0,0,0|3,0,0]=4 645 B7R0.7 C=C=CC(=O)OCC MCULE-9108726418 [0,1,0,0,0,0|3,0,0]=4 646 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,1,0,0,0,0|3,0,0]=4 647 B7R0.7 C=COC(=O)/C=C/C MCULE-3646996165 [0,1,0,0,0,0|2,0,1]=4 648 B7R0.7 C=COC(=O)C=CC MCULE-7917602280 [0,1,0,0,0,0|2,0,1]=4 649 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,1,0,0,0,0|2,0,1]=4 650 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [0,1,0,0,0,0|3,0,0]=4 651 B7R0.7 CCCC(C)N=C=O MCULE-9843542105 [0,1,0,0,0,0|0,0,3]=4 652 B7R0.7 CCO/C(=N/C#N)/C MCULE-4139039384 [0,1,0,0,0,0|2,0,1]=4 653 B7R0.7 CCO/C(=N\C#N)/C MCULE-4596466252 [0,1,0,0,0,0|2,0,1]=4 654 B7R0.7 CCOC(=NC#N)C MCULE-9653327346 [0,1,0,0,0,0|2,0,1]=4 655 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [0,1,0,0,0,0|3,0,0]=4 656 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,1,0,0,0,0|2,0,1]=4 657 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [0,1,0,0,0,0|2,0,1]=4 658 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [0,1,0,0,0,0|3,0,0]=4 659 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [0,1,0,0,0,0|3,0,0]=4 660 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,1,0,0,0,0|3,0,0]=4 661 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [0,1,0,0,0,0|3,0,0]=4 662 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [0,1,0,0,0,0|3,0,0]=4 663 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,1,0,0,0,0|2,0,1]=4 664 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [0,1,0,0,0,0|2,0,1]=4 665 B7R0.7 CCOC(=O)C=NN MCULE-5132323904 [0,1,0,0,0,0|3,0,0]=4 666 B7R0.7 CCOC(=O)C=NN MCULE-5899717314 [0,1,0,0,0,0|3,0,0]=4 667 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [0,1,0,0,0,0|2,0,1]=4 668 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,1,0,0,0,0|2,0,0]=3 669 B7R0.7 CCOC(=O)N=C=O MCULE-6030513409 [0,1,0,0,0,0|2,0,1]=4 670 B7R0.7 CCOC(=O)N=S=O MCULE-2418866175 [0,1,0,0,0,0|3,0,0]=4 671 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [0,1,0,0,0,0|2,0,0]=3 672 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [0,1,0,0,0,0|2,0,0]=3 673 B7R0.7 CCSC(C)CC=O MCULE-8200772170 [0,1,0,0,0,0|1,0,1]=3 674 B7R0.7 COCC(=CCBr)C MCULE-6258296852 [0,1,0,0,0,0|1,0,2]=4 675 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [0,1,0,0,0,0|2,0,0]=3 676 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [0,1,0,0,0,0|2,0,0]=3 677 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,1,0,0,0,0|3,0,0]=4 678 B7R0.10 C=CC(=O)N(C)CC MCULE-8629361048 [0,1,0,0,0,0|3,0,0]=4 679 B7R0.10 C=CC(C)C(C)CC MCULE-2366850706 [0,1,0,0,0,0|1,0,2]=4 680 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [0,1,0,0,0,0|3,0,0]=4 681 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [0,1,0,0,0,0|2,0,0]=3 682 B7R0.10 CCC(=O)C(=NO)C MCULE-5669219787 [0,1,0,0,0,0|1,0,1]=3 683 B7R0.10 CCC(=O)C(=O)CC MCULE-4346857339 [0,1,0,0,0,0|2,0,1]=4 684 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,1,0,0,0,0|3,0,0]=4 685 B7R0.10 CCC(=O)C(C)C#N MCULE-5937845036 [0,1,0,0,0,0|1,0,2]=4 686 B7R0.10 CCC(=O)N(C)CC MCULE-1764457516 [0,1,0,0,0,0|2,0,1]=4 687 B7R0.10 CCC(=O)N(C)OC MCULE-7450696534 [0,1,0,0,0,0|3,0,0]=4 688 B7R0.10 CNC(=O)C(=NO)C MCULE-5419636892 [0,1,0,0,0,0|2,0,1]=4 689 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [0,1,0,0,0,0|2,0,0]=3 690 B7R0.10 COC(=O)/C(=C/Cl)/Cl MCULE-7181141754 [0,1,0,0,0,0|3,0,0]=4 691 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-5795286951 [0,1,0,0,0,0|2,0,1]=4 692 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-6102470934 [0,1,0,0,0,0|2,0,1]=4 693 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [0,1,0,0,0,0|2,0,0]=3 694 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,1,0,0,0,0|1,0,1]=3 695 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,1,0,0,0,0|2,0,1]=4 696 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,1,0,0,0,0|1,0,1]=3 697 B7R0.11 C=CC(C)(C)CCC MCULE-7100135827 [0,1,0,0,0,0|1,0,2]=4 698 B7R0.11 C=C[Si](C)(C)OCC MCULE-9281604517 [0,1,0,0,0,0|2,1,0]=4 699 B7R0.11 CCCC(C)(C)C=O MCULE-1675435662 [0,1,0,0,0,0|0,0,2]=3 700 B7R0.11 CCOC(C)(C)C=O MCULE-7101941149 [0,1,0,0,0,0|1,0,1]=3 701 B7R0.11 COCC(C)(C)C=O MCULE-9091298674 [0,1,0,0,0,0|1,0,2]=4 702 B7R0.12 CCC=C(C#N)C#N MCULE-9888483536 [0,1,0,0,0,0|1,0,2]=4 703 B7R0.12 OCC=C(CCl)CCl MCULE-4216885258 [0,1,0,0,0,0|2,0,1]=4 704 B7R1.1 BrCC1=CCCC1 MCULE-9208619526 [0,0,0,1,0,0|1,0,1]=3 705 B7R1.1 C=CC1CCCC1 MCULE-6144532155 [0,0,0,1,0,0|1,0,2]=4 706 B7R1.1 C=CC1CCCN1 MCULE-5736974496 [0,0,0,1,0,0|2,0,1]=4 707 B7R1.1 C=CC1CCCN1 MCULE-7626074228 [0,0,0,1,0,0|2,0,1]=4 708 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [0,0,0,1,0,0|1,0,1]=3 709 B7R1.1 CC=C1CCNC1 MCULE-9077980338 [0,0,0,1,0,0|2,0,1]=4 710 B7R1.1 CC=C1CCNC1 MCULE-9519724391 [0,0,0,1,0,0|2,0,1]=4 711 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [0,0,0,1,0,0|1,0,1]=3 712 B7R1.1 COC1=CCCC1 MCULE-6260649761 [0,0,0,1,0,0|2,0,0]=3 713 B7R1.1 COC1=CCCN1 MCULE-6283476666 [0,0,0,1,0,0|3,0,0]=4 714 B7R1.1 COC1=NCCC1 MCULE-2625712954 [0,0,0,1,0,0|3,0,0]=4 715 B7R1.1 N#CC1=CCCC1 MCULE-5654080085 [0,0,0,1,0,0|1,0,1]=3 716 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [0,0,0,1,0,0|2,0,1]=4 717 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [0,0,0,1,0,0|1,0,2]=4 718 B7R1.1 O=CC1=CC=CO1 MCULE-5757882837 [0,0,0,1,0,0|1,0,2]=4 719 B7R1.1 O=CC1=CC=CS1 MCULE-8254409353 [0,0,0,1,0,0|1,0,2]=4 720 B7R1.1 O=CC1=CC=C[Se]1 MCULE-2409744709 [0,0,0,1,0,0|1,0,2]=4 721 B7R1.1 O=CC1=CC=NO1 MCULE-9603824695 [0,0,0,1,0,0|2,0,1]=4 722 B7R1.1 O=CC1=CC=NS1 MCULE-1236687243 [0,0,0,1,0,0|2,0,1]=4 723 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [0,0,0,1,0,0|0,0,0]=1 724 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [0,0,0,1,0,0|1,0,0]=2 725 B7R1.1 O=CC1=CCSC1 MCULE-9591036145 [0,0,0,1,0,0|1,0,0]=2 726 B7R1.1 O=CC1=CN=CN1 MCULE-5099904928 [0,0,0,1,0,0|2,0,1]=4 727 B7R1.1 O=CC1=CN=CO1 MCULE-7235306258 [0,0,0,1,0,0|2,0,1]=4 728 B7R1.1 O=CC1=CN=CS1 MCULE-4047651092 [0,0,0,1,0,0|2,0,1]=4 729 B7R1.1 O=CC1=CN=NS1 MCULE-7055219202 [0,0,0,1,0,0|3,0,0]=4 730 B7R1.1 O=CC1=CNC=C1 MCULE-2454944558 [0,0,0,1,0,0|1,0,2]=4 731 B7R1.1 O=CC1=CNN=C1 MCULE-4279791999 [0,0,0,1,0,0|2,0,1]=4 732 B7R1.1 O=CC1=CNN=C1 MCULE-4337494909 [0,0,0,1,0,0|2,0,1]=4 733 B7R1.1 O=CC1=CNN=N1 MCULE-8212298542 [0,0,0,1,0,0|3,0,0]=4 734 B7R1.1 O=CC1=COC=C1 MCULE-4433731812 [0,0,0,1,0,0|1,0,2]=4 735 B7R1.1 O=CC1=COC=N1 MCULE-9948589511 [0,0,0,1,0,0|2,0,1]=4 736 B7R1.1 O=CC1=CON=C1 MCULE-5019842093 [0,0,0,1,0,0|2,0,1]=4 737 B7R1.1 O=CC1=CSC=C1 MCULE-4096224591 [0,0,0,1,0,0|1,0,2]=4 738 B7R1.1 O=CC1=CSC=N1 MCULE-9225156161 [0,0,0,1,0,0|2,0,1]=4 739 B7R1.1 O=CC1=CSN=C1 MCULE-8193875899 [0,0,0,1,0,0|2,0,1]=4 740 B7R1.1 O=CC1=CSN=N1 MCULE-1939480478 [0,0,0,1,0,0|3,0,0]=4 741 B7R1.1 O=CC1=NNC=C1 MCULE-5970837649 [0,0,0,1,0,0|2,0,1]=4 742 B7R1.1 O=CC1=NOC=C1 MCULE-6315054980 [0,0,0,1,0,0|2,0,1]=4 743 B7R1.1 O=CC1=NON=C1 MCULE-5467767925 [0,0,0,1,0,0|3,0,0]=4 744 B7R1.1 O=CC1=NSC=C1 MCULE-2006644927 [0,0,0,1,0,0|2,0,1]=4 745 B7R1.1 O=CC1=NSN=C1 MCULE-4602428363 [0,0,0,1,0,0|3,0,0]=4 746 B7R1.1 O=CC1CCCC1 MCULE-4938681495 [0,0,0,1,0,0|0,0,2]=3 747 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [0,0,0,1,0,0|1,0,1]=3 748 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [0,0,0,1,0,0|1,0,2]=4 749 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [0,0,0,1,0,0|1,0,2]=4 750 B7R1.1 O=CC1CCSC1 MCULE-1282848613 [0,0,0,1,0,0|1,0,2]=4 751 B7R1.1 O=CN1CCCC1 MCULE-1922854302 [0,0,0,1,0,0|1,0,1]=3 752 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [0,0,0,1,0,0|1,0,2]=4 753 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [0,0,0,1,0,0|1,0,2]=4 754 B7R1.1 O=NN1CCCC1 MCULE-8449068120 [0,0,0,1,0,0|2,0,1]=4 755 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [0,0,0,1,0,0|0,0,2]=3 756 B7R1.1 ON=C1CCCC1 MCULE-9338449832 [0,0,0,1,0,0|1,0,2]=4 757 B7R1.2 CC1=CC(=CO1)Br MCULE-1365881695 [0,0,0,1,0,0|1,0,2]=4 758 B7R1.2 CC1=CC(=CS1)Br MCULE-9701843608 [0,0,0,1,0,0|1,1,1]=4 759 B7R1.2 CC1=CC(=CS1)Cl MCULE-1661832667 [0,0,0,1,0,0|1,1,1]=4 760 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [0,0,0,1,0,0|1,1,1]=4 761 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [0,0,0,1,0,0|1,1,1]=4 762 B7R1.2 CC1=CC(=NN1)C MCULE-4873265902 [0,0,0,1,0,0|2,0,1]=4 763 B7R1.2 CC1=CC(=NN1)C MCULE-8100496522 [0,0,0,1,0,0|2,0,1]=4 764 B7R1.2 CC1=CC(=NO1)C MCULE-5128459474 [0,0,0,1,0,0|1,0,2]=4 765 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [0,0,0,1,0,0|2,0,1]=4 766 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [0,0,0,1,0,0|2,0,1]=4 767 B7R1.2 CC1=CC=C(S1)C MCULE-6651491312 [0,0,0,1,0,0|2,0,1]=4 768 B7R1.2 CC1=CC=C(S1)C MCULE-7283016932 [0,0,0,1,0,0|2,0,1]=4 769 B7R1.2 CC1=CN(C=N1)C MCULE-2469544518 [0,0,0,1,0,0|2,0,1]=4 770 B7R1.2 CC1=CN(N=C1)C MCULE-7303683364 [0,0,0,1,0,0|2,0,0]=3 771 B7R1.2 CC1=CN(N=N1)C MCULE-6586051343 [0,0,0,1,0,0|3,0,0]=4 772 B7R1.2 CC1=CN=C(O1)C MCULE-8416988900 [0,0,0,1,0,0|2,0,1]=4 773 B7R1.2 CC1=CN=C(S1)C MCULE-9725720944 [0,0,0,1,0,0|2,0,1]=4 774 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [0,0,0,1,0,0|1,0,1]=3 775 B7R1.2 CC1=CNC(=N1)C MCULE-1883967566 [0,0,0,1,0,0|2,0,1]=4 776 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [0,0,0,1,0,0|0,0,2]=3 777 B7R1.2 CC1=COC(=N1)C MCULE-3626673481 [0,0,0,1,0,0|1,0,2]=4 778 B7R1.2 CC1=CSC(=C1)Br MCULE-1301546959 [0,0,0,1,0,0|1,1,1]=4 779 B7R1.2 CC1=CSC(=C1)C MCULE-9938369670 [0,0,0,1,0,0|0,1,1]=3 780 B7R1.2 CC1=CSC(=C1)Cl MCULE-8287471659 [0,0,0,1,0,0|1,1,1]=4 781 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [0,0,0,1,0,0|1,1,1]=4 782 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [0,0,0,1,0,0|1,1,1]=4 783 B7R1.2 CC1=CSC(=C1)O MCULE-1324476521 [0,0,0,1,0,0|1,1,1]=4 784 B7R1.2 CC1=CSC(=N1)C MCULE-2033387460 [0,0,0,1,0,0|1,1,1]=4 785 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,0,0,1,0,0|2,0,1]=4 786 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,0,0,1,0,0|3,0,0]=4 787 B7R1.2 CC1=NC(CS1)C MCULE-8843957654 [0,0,0,1,0,0|3,0,0]=4 788 B7R1.2 CC1=NN(C=C1)C MCULE-4991402354 [0,0,0,1,0,0|3,0,0]=4 789 B7R1.2 CC1=NN(N=C1)C MCULE-4169729723 [0,0,0,1,0,0|3,0,0]=4 790 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,0,0,1,0,0|3,0,0]=4 791 B7R1.2 CN1C=C(C=N1)Br MCULE-1777078366 [0,0,0,1,0,0|3,0,0]=4 792 B7R1.2 CN1C=C(C=N1)Cl MCULE-7422425633 [0,0,0,1,0,0|3,0,0]=4 793 B7R1.2 CN1C=C(C=N1)F MCULE-3479168229 [0,0,0,1,0,0|3,0,0]=4 794 B7R1.2 CN1C=C(C=N1)I MCULE-9878259108 [0,0,0,1,0,0|3,0,0]=4 795 B7R1.2 CN1C=C(C=N1)N MCULE-7517990417 [0,0,0,1,0,0|3,0,0]=4 796 B7R1.2 CN1C=C(C=N1)N MCULE-7697659912 [0,0,0,1,0,0|3,0,0]=4 797 B7R1.2 CN1C=C(C=N1)N MCULE-9265648600 [0,0,0,1,0,0|3,0,0]=4 798 B7R1.2 CN1C=C(C=N1)O MCULE-5086680033 [0,0,0,1,0,0|3,0,0]=4 799 B7R1.2 CN1C=C(C=N1)O MCULE-5814110625 [0,0,0,1,0,0|3,0,0]=4 800 B7R1.2 CN1C=C(C=N1)S MCULE-4948890589 [0,0,0,1,0,0|3,0,0]=4 801 B7R1.2 CN1C=CC(=C1)Br MCULE-2020278293 [0,0,0,1,0,0|3,0,0]=4 802 B7R1.2 CN1C=CC(=C1)N MCULE-2805426691 [0,0,0,1,0,0|3,0,0]=4 803 B7R1.2 CN1C=CC(=C1)N MCULE-3443863095 [0,0,0,1,0,0|3,0,0]=4 804 B7R1.2 CN1C=CC(=C1)O MCULE-2504745844 [0,0,0,1,0,0|3,0,0]=4 805 B7R1.2 CN1C=C[N+](=C1)C MCULE-1968168294 [0,0,0,1,0,0|3,0,0]=4 806 B7R1.2 CN1C=C[N+](=C1)C MCULE-2761334934 [0,0,0,1,0,0|3,0,0]=4 807 B7R1.2 CN1C=C[N+](=C1)C MCULE-2821798506 [0,0,0,1,0,0|3,0,0]=4 808 B7R1.2 CN1C=C[N+](=C1)C MCULE-3728272572 [0,0,0,1,0,0|3,0,0]=4 809 B7R1.2 CN1C=C[N+](=C1)C MCULE-4777249746 [0,0,0,1,0,0|3,0,0]=4 810 B7R1.2 CN1C=C[N+](=C1)C MCULE-8370562401 [0,0,0,1,0,0|3,0,0]=4 811 B7R1.2 CN1C=N[N+](=C1)C MCULE-4147847314 [0,0,0,1,0,0|3,0,0]=4 812 B7R1.2 CN1C=N[N+](=C1)C MCULE-9216301169 [0,0,0,1,0,0|3,0,0]=4 813 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [0,0,0,1,0,0|2,0,1]=4 814 B7R1.3 BrC1=CCCNC1 MCULE-1016336040 [0,0,0,1,0,0|2,0,1]=4 815 B7R1.3 BrC1=CCCNC1 MCULE-9845052592 [0,0,0,1,0,0|2,0,1]=4 816 B7R1.3 BrC1=COCCC1 MCULE-7754503978 [0,0,0,1,0,0|1,0,2]=4 817 B7R1.3 CC1=CC=CC=C1 MCULE-4817136027 [0,0,0,1,0,0|1,0,2]=4 818 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [0,0,0,1,0,0|1,0,2]=4 819 B7R1.3 CC1=CC=NC=C1 MCULE-2244521363 [0,0,0,1,0,0|2,0,1]=4 820 B7R1.3 CC1=CC=NC=C1 MCULE-5336385904 [0,0,0,1,0,0|2,0,1]=4 821 B7R1.3 CC1=CCC=CC1 MCULE-8148706670 [0,0,0,1,0,0|1,0,2]=4 822 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [0,0,0,1,0,0|1,0,0]=2 823 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [0,0,0,1,0,0|1,0,1]=3 824 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [0,0,0,1,0,0|1,0,1]=3 825 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [0,0,0,1,0,0|1,0,1]=3 826 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [0,0,0,1,0,0|2,0,1]=4 827 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [0,0,0,1,0,0|2,0,1]=4 828 B7R1.3 CC1=CN=CC=C1 MCULE-7651055603 [0,0,0,1,0,0|1,0,2]=4 829 B7R1.3 CC1=CN=CN=C1 MCULE-7076758617 [0,0,0,1,0,0|2,0,1]=4 830 B7R1.3 CC1=CN=NC=C1 MCULE-4894279826 [0,0,0,1,0,0|2,0,1]=4 831 B7R1.3 CC1=NCCNC1 MCULE-2066788449 [0,0,0,1,0,0|2,0,1]=4 832 B7R1.3 CC1C=CCCC1 MCULE-8057302830 [0,0,0,1,0,0|1,0,2]=4 833 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [0,0,0,1,0,0|2,0,1]=4 834 B7R1.3 ClC1=CCCNC1 MCULE-2132976242 [0,0,0,1,0,0|2,0,1]=4 835 B7R1.3 ClC1=CCCNC1 MCULE-9013141821 [0,0,0,1,0,0|2,0,1]=4 836 B7R1.3 FC1=CCCNC1 MCULE-5131057553 [0,0,0,1,0,0|2,0,1]=4 837 B7R1.3 FC1=CCCNC1 MCULE-8459145085 [0,0,0,1,0,0|2,0,1]=4 838 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,0,0,1,0,0|2,0,1]=4 839 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,0,0,1,0,0|3,0,0]=4 840 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,0,0,1,0,0|3,0,0]=4 841 B7R1.4 BrC1=C(CCC1)Br MCULE-2617233515 [0,0,0,1,0,0|2,0,1]=4 842 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,0,0,1,0,0|1,0,2]=4 843 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,0,0,1,0,0|1,0,2]=4 844 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [0,0,0,1,0,0|2,0,1]=4 845 B7R1.4 CC1=C(NN=C1)I MCULE-3870859467 [0,0,0,1,0,0|3,0,0]=4 846 B7R1.4 CC1=C(NN=C1)N MCULE-6982113158 [0,0,0,1,0,0|3,0,0]=4 847 B7R1.4 CC1=C(OC=C1)Br MCULE-4484142471 [0,0,0,1,0,0|2,0,1]=4 848 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [0,0,0,1,0,0|2,0,1]=4 849 B7R1.4 CC1=C(ON=C1)C MCULE-2037233742 [0,0,0,1,0,0|3,0,0]=4 850 B7R1.4 CC1=C(ON=C1)N MCULE-1189999644 [0,0,0,1,0,0|3,0,0]=4 851 B7R1.4 CC1=C(SC=C1)Br MCULE-3746729659 [0,0,0,1,0,0|2,0,1]=4 852 B7R1.4 CC1=C(SC=C1)C MCULE-6742776055 [0,0,0,1,0,0|2,0,1]=4 853 B7R1.4 CC1=C(SC=C1)Cl MCULE-4683627316 [0,0,0,1,0,0|2,0,1]=4 854 B7R1.4 CC1=C(SC=C1)I MCULE-4074297086 [0,0,0,1,0,0|2,0,1]=4 855 B7R1.4 CC1=C(SC=C1)S MCULE-6807943440 [0,0,0,1,0,0|1,1,1]=4 856 B7R1.4 CC1=C(SN=C1)Br MCULE-7236338600 [0,0,0,1,0,0|3,0,0]=4 857 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,0,0,1,0,0|0,0,0]=1 858 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,0,0,1,0,0|1,0,0]=2 859 B7R1.4 CC1=CNC=C1C MCULE-4758724479 [0,0,0,1,0,0|2,0,1]=4 860 B7R1.4 CC1=CNN=C1Br MCULE-6589056167 [0,0,0,1,0,0|3,0,0]=4 861 B7R1.4 CC1=CNN=C1C MCULE-2020565239 [0,0,0,1,0,0|3,0,0]=4 862 B7R1.4 CC1=CNN=C1C MCULE-5379672633 [0,0,0,1,0,0|3,0,0]=4 863 B7R1.4 CC1=CNN=C1C MCULE-8376501296 [0,0,0,1,0,0|3,0,0]=4 864 B7R1.4 CC1=CNN=C1Cl MCULE-3631106854 [0,0,0,1,0,0|3,0,0]=4 865 B7R1.4 CC1=CNN=C1N MCULE-4529381336 [0,0,0,1,0,0|3,0,0]=4 866 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,0,0,1,0,0|2,0,0]=3 867 B7R1.4 CC1=COC=C1Br MCULE-5316317633 [0,0,0,1,0,0|2,0,1]=4 868 B7R1.4 CC1=CON=C1Br MCULE-8042592335 [0,0,0,1,0,0|3,0,0]=4 869 B7R1.4 CC1=CON=C1N MCULE-6766602702 [0,0,0,1,0,0|3,0,0]=4 870 B7R1.4 CC1=CSC=C1Br MCULE-5733157832 [0,0,0,1,0,0|2,0,1]=4 871 B7R1.4 CC1=CSC=C1C MCULE-2505833521 [0,0,0,1,0,0|2,0,1]=4 872 B7R1.4 CC1=CSC=C1N MCULE-2229858743 [0,0,0,1,0,0|2,0,1]=4 873 B7R1.4 CC1=CSC=C1N MCULE-9678851280 [0,0,0,1,0,0|2,0,1]=4 874 B7R1.4 CC1=CSC=C1N MCULE-9850701502 [0,0,0,1,0,0|2,0,1]=4 875 B7R1.4 CC1=CSN=C1Br MCULE-7851943835 [0,0,0,1,0,0|3,0,0]=4 876 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,0,0,1,0,0|2,0,1]=4 877 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,0,0,1,0,0|0,0,2]=3 878 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,0,0,1,0,0|1,0,2]=4 879 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,0,0,1,0,0|1,0,2]=4 880 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,0,0,1,0,0|1,0,2]=4 881 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,0,0,1,0,0|1,0,2]=4 882 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,0,0,1,0,0|1,0,2]=4 883 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,0,0,1,0,0|1,0,2]=4 884 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,0,0,1,0,0|1,0,1]=3 885 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,0,0,1,0,0|1,0,1]=3 886 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,0,0,1,0,0|1,0,1]=3 887 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,0,0,1,0,0|1,0,1]=3 888 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [0,0,0,1,0,0|2,0,1]=4 889 B7R1.4 CN1C=NNC1=O MCULE-2122203722 [0,0,0,1,0,0|3,0,0]=4 890 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,0,0,1,0,0|1,0,1]=3 891 B7R1.4 CN1CCCC1=S MCULE-1990879544 [0,0,0,1,0,0|1,1,1]=4 892 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,0,0,1,0,0|2,0,1]=4 893 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,0,0,1,0,0|2,0,1]=4 894 B7R1.4 CN1CNCC1=O MCULE-2252466841 [0,0,0,1,0,0|2,0,1]=4 895 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [0,0,0,1,0,0|2,0,1]=4 896 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,0,0,1,0,0|1,0,2]=4 897 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,0,0,1,0,0|1,0,2]=4 898 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,0,0,1,0,0|2,0,0]=3 899 B7R1.4 NC1=CNNC1=O MCULE-5341060497 [0,0,0,1,0,0|3,0,0]=4 900 B7R1.4 NC1=CNNC1=O MCULE-9560987259 [0,0,0,1,0,0|3,0,0]=4 901 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,0,0,1,0,0|1,0,2]=4 902 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,0,0,1,0,0|1,0,2]=4 903 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,0,0,1,0,0|2,0,1]=4 904 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,0,0,1,0,0|2,0,1]=4 905 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,0,0,1,0,0|1,0,0]=2 906 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,0,0,1,0,0|1,0,0]=2 907 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,0,0,1,0,0|1,0,0]=2 908 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,0,0,1,0,0|1,0,1]=3 909 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,0,0,1,0,0|1,0,2]=4 910 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,0,0,1,0,0|1,0,2]=4 911 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,0,0,1,0,0|1,0,2]=4 912 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,0,0,1,0,0|1,0,2]=4 913 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,0,0,1,0,0|2,0,0]=3 914 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,0,0,1,0,0|2,0,0]=3 915 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,0,0,1,0,0|1,0,2]=4 916 B7R1.6 BrCC=C1CCC1 MCULE-3837147249 [0,0,0,1,0,0|2,0,1]=4 917 B7R1.6 COC=C1COC1 MCULE-5631176777 [0,0,0,1,0,0|1,0,2]=4 918 B7R1.9 COC1CC1C=O MCULE-8346964880 [0,0,0,1,0,0|1,0,2]=4 919 B7R1.10 CC1CC(C1)C=O MCULE-1258886786 [0,0,0,1,0,0|0,0,2]=3 920 B7R1.15 O=C1C=C(C1=O)O MCULE-3440355716 [0,0,0,1,0,0|2,0,1]=4 921 B7R1.15 O=C1C=C(C1=O)[O-] MCULE-9991893223 [0,0,0,1,0,0|2,0,1]=4 922 B7R1.22 C/C(=N/O)/C1CC1 MCULE-9504873944 [0,0,0,1,0,0|1,0,2]=4 923 B7R1.22 C=CC(=O)C1CC1 MCULE-4167270466 [0,0,0,1,0,0|2,0,1]=4 924 B7R1.22 CC(=NO)C1CC1 MCULE-2639658638 [0,0,0,1,0,0|1,0,2]=4 925 B7R1.22 CC(C=O)C1CC1 MCULE-9307079880 [0,0,0,1,0,0|0,0,2]=3 926 B7R1.22 CN(C=O)C1CC1 MCULE-4185514369 [0,0,0,1,0,0|1,0,1]=3 927 B7R1.25 CC1(CCC1)C=O MCULE-9513047998 [0,0,0,1,0,0|0,0,2]=3 928 B7R1.25 CC1(COC1)C=O MCULE-4295634366 [0,0,0,1,0,0|1,0,2]=4 929 B7R1.25 CC1(CSC1)C=O MCULE-8783002976 [0,0,0,1,0,0|1,0,2]=4 930 B7R1.25 O=CC1(CCC1)F MCULE-8878080032 [0,0,0,1,0,0|1,0,2]=4 931 B7R1.27 CC1CC1(C)C=O MCULE-1780701123 [0,0,0,1,0,0|0,0,2]=3 932 B4R0.1 C#CC(=C)C MCULE-6826835331 [2,0,0,0,0,0|0,0,2]=4 933 B4R0.1 C#CC(=O)C MCULE-1296030711 [2,0,0,0,0,0|0,0,2]=4 934 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [2,0,0,0,0,0|1,0,0]=3 935 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [2,0,0,0,0,0|1,0,0]=3 936 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [2,0,0,0,0,0|1,0,0]=3 937 B4R0.1 C=C(Br)C=O MCULE-9500973388 [2,0,0,0,0,0|1,0,0]=3 938 B4R0.1 C=C(Br)CBr MCULE-1222617820 [2,0,0,0,0,0|2,0,0]=4 939 B4R0.1 C=C(Br)CC MCULE-6271946451 [2,0,0,0,0,0|1,0,0]=3 940 B4R0.1 C=C(Br)CN MCULE-1170417597 [2,0,0,0,0,0|2,0,0]=4 941 B4R0.1 C=C(Br)CN MCULE-9190049156 [2,0,0,0,0,0|2,0,0]=4 942 B4R0.1 C=C(Br)CO MCULE-7763893047 [2,0,0,0,0,0|2,0,0]=4 943 B4R0.1 C=C(C)C#N MCULE-9177849910 [2,0,0,0,0,0|1,0,1]=4 944 B4R0.1 C=C(C)C=O MCULE-3758355501 [2,0,0,0,0,0|0,0,0]=2 945 B4R0.1 C=C(C)CBr MCULE-1361893863 [2,0,0,0,0,0|1,0,0]=3 946 B4R0.1 C=C(C)CCl MCULE-5586406339 [2,0,0,0,0,0|1,0,0]=3 947 B4R0.1 C=C(C)CI MCULE-3678124406 [2,0,0,0,0,0|1,0,0]=3 948 B4R0.1 C=C(C)CN MCULE-1033495975 [2,0,0,0,0,0|1,0,0]=3 949 B4R0.1 C=C(C)CN MCULE-8730181300 [2,0,0,0,0,0|1,0,0]=3 950 B4R0.1 C=C(C)CO MCULE-8641288398 [2,0,0,0,0,0|1,0,0]=3 951 B4R0.1 C=C(C)CS MCULE-5174170431 [2,0,0,0,0,0|1,0,0]=3 952 B4R0.1 C=C(C)OC MCULE-7344104255 [2,0,0,0,0,0|1,0,0]=3 953 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [2,0,0,0,0,0|2,0,0]=4 954 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [2,0,0,0,0,0|2,0,0]=4 955 B4R0.1 C=C(Cl)CI MCULE-1908004565 [2,0,0,0,0,0|2,0,0]=4 956 B4R0.1 C=C(Cl)CN MCULE-2159410121 [2,0,0,0,0,0|2,0,0]=4 957 B4R0.1 C=C(Cl)CN MCULE-3454023553 [2,0,0,0,0,0|2,0,0]=4 958 B4R0.1 C=C(Cl)CO MCULE-8813337564 [2,0,0,0,0,0|2,0,0]=4 959 B4R0.1 C=C(F)CBr MCULE-6528430141 [2,0,0,0,0,0|2,0,0]=4 960 B4R0.1 C=C(F)CCl MCULE-4499400030 [2,0,0,0,0,0|2,0,0]=4 961 B4R0.1 C=C(F)CN MCULE-1603171858 [2,0,0,0,0,0|2,0,0]=4 962 B4R0.1 C=C(F)CN MCULE-3878727292 [2,0,0,0,0,0|2,0,0]=4 963 B4R0.1 C=C(F)CO MCULE-2779963696 [2,0,0,0,0,0|2,0,0]=4 964 B4R0.1 C=C(I)CO MCULE-2533897125 [2,0,0,0,0,0|2,0,0]=4 965 B4R0.1 C=C=C(C)C MCULE-8705186354 [2,0,0,0,0,0|1,0,1]=4 966 B4R0.1 C=CC(=C)C MCULE-1668999564 [2,0,0,0,0,0|0,0,1]=3 967 B4R0.1 C=CC(=O)C MCULE-4924646293 [2,0,0,0,0,0|0,0,1]=3 968 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [2,0,0,0,0,0|1,0,1]=4 969 B4R0.1 C=CC(=O)N MCULE-4309430654 [2,0,0,0,0,0|1,0,1]=4 970 B4R0.1 C=CC(=O)O MCULE-9352227082 [2,0,0,0,0,0|1,0,1]=4 971 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [2,0,0,0,0,0|1,0,1]=4 972 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [2,0,0,0,0,0|1,0,1]=4 973 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [2,0,0,0,0,0|1,0,1]=4 974 B4R0.1 CC(=CBr)C MCULE-9508381610 [2,0,0,0,0,0|1,0,0]=3 975 B4R0.1 CC(=CCl)C MCULE-4321554138 [2,0,0,0,0,0|1,0,0]=3 976 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [2,0,0,0,0,0|2,0,0]=4 977 B4R0.1 CC(=NN)C MCULE-8828852790 [2,0,0,0,0,0|2,0,0]=4 978 B4R0.1 CC(=NO)C MCULE-3243100216 [2,0,0,0,0,0|1,0,1]=4 979 B4R0.1 CC(=O)C#N MCULE-6317771757 [2,0,0,0,0,0|1,0,1]=4 980 B4R0.1 CC(=O)C=O MCULE-2718961814 [2,0,0,0,0,0|1,0,0]=3 981 B4R0.1 CC(=O)CBr MCULE-7812920675 [2,0,0,0,0,0|1,0,0]=3 982 B4R0.1 CC(=O)CCl MCULE-2501365933 [2,0,0,0,0,0|1,0,0]=3 983 B4R0.1 CC(=O)CF MCULE-7417279999 [2,0,0,0,0,0|1,0,0]=3 984 B4R0.1 CC(=O)CN MCULE-2715277783 [2,0,0,0,0,0|1,0,0]=3 985 B4R0.1 CC(=O)CN MCULE-6004541862 [2,0,0,0,0,0|1,0,0]=3 986 B4R0.1 CC(=O)CO MCULE-2989526028 [2,0,0,0,0,0|1,0,0]=3 987 B4R0.1 CC(=O)CS MCULE-9736174016 [2,0,0,0,0,0|1,0,0]=3 988 B4R0.1 CC(=O)NBr MCULE-6502070876 [2,0,0,0,0,0|2,0,0]=4 989 B4R0.1 CC(=O)NN MCULE-9183467120 [2,0,0,0,0,0|2,0,0]=4 990 B4R0.1 CC(=O)NO MCULE-2682231025 [2,0,0,0,0,0|2,0,0]=4 991 B4R0.1 CC(=O)OO MCULE-6028338742 [2,0,0,0,0,0|2,0,0]=4 992 B4R0.1 CC(Br)C=O MCULE-6060704330 [2,0,0,0,0,0|1,0,1]=4 993 B4R0.1 CC(C)C=O MCULE-3575731904 [2,0,0,0,0,0|0,0,1]=3 994 B4R0.1 CC(N)C=O MCULE-3421118418 [2,0,0,0,0,0|1,0,1]=4 995 B4R0.1 CC=C(C)Br MCULE-1371905211 [2,0,0,0,0,0|1,0,0]=3 996 B4R0.1 CC=C(C)C MCULE-4230157245 [2,0,0,0,0,0|0,0,1]=3 997 B4R0.1 CC=C(C)Cl MCULE-3844314543 [2,0,0,0,0,0|1,0,0]=3 998 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [2,0,0,0,0,0|2,0,0]=4 999 B4R0.1 CC=C(F)F MCULE-5544510852 [2,0,0,0,0,0|2,0,0]=4 1000 B4R0.1 CCC(=N)N MCULE-1856575742 [2,0,0,0,0,0|2,0,0]=4 1001 B4R0.1 CCC(=N)N MCULE-2534386807 [2,0,0,0,0,0|2,0,0]=4 1002 B4R0.1 CCC(=O)Br MCULE-7870678619 [2,0,0,0,0,0|1,0,0]=3 1003 B4R0.1 CCC(=O)C MCULE-8276670748 [2,0,0,0,0,0|0,0,0]=2 1004 B4R0.1 CCC(=O)Cl MCULE-3081874391 [2,0,0,0,0,0|1,0,0]=3 1005 B4R0.1 CCC(=O)F MCULE-8783887670 [2,0,0,0,0,0|1,0,0]=3 1006 B4R0.1 CCC(=O)N MCULE-3730796130 [2,0,0,0,0,0|1,0,0]=3 1007 B4R0.1 CCC(=O)O MCULE-2199051150 [2,0,0,0,0,0|1,0,0]=3 1008 B4R0.1 CCC(=O)O MCULE-9800054040 [2,0,0,0,0,0|1,0,0]=3 1009 B4R0.1 CCC(=O)S MCULE-3392119766 [2,0,0,0,0,0|1,0,0]=3 1010 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [2,0,0,0,0,0|1,0,0]=3 1011 B4R0.1 CCC(=S)N MCULE-3921479699 [2,0,0,0,0,0|1,1,0]=4 1012 B4R0.1 CCC(C)Br MCULE-9661620259 [2,0,0,0,0,0|1,0,1]=4 1013 B4R0.1 CCC(C)C MCULE-5376105936 [2,0,0,0,0,0|0,0,2]=4 1014 B4R0.1 CCC(C)Cl MCULE-2954418486 [2,0,0,0,0,0|1,0,1]=4 1015 B4R0.1 CCC(C)I MCULE-5239699587 [2,0,0,0,0,0|1,0,1]=4 1016 B4R0.1 CCC(C)N MCULE-5041676035 [2,0,0,0,0,0|1,0,1]=4 1017 B4R0.1 CCC(C)N MCULE-5835091553 [2,0,0,0,0,0|1,0,1]=4 1018 B4R0.1 CCC(C)N MCULE-6631606230 [2,0,0,0,0,0|1,0,1]=4 1019 B4R0.1 CCC(C)N MCULE-8165681721 [2,0,0,0,0,0|1,0,1]=4 1020 B4R0.1 CCC(C)O MCULE-4099350806 [2,0,0,0,0,0|0,0,2]=4 1021 B4R0.1 CCC(C)O MCULE-5005120003 [2,0,0,0,0,0|0,0,2]=4 1022 B4R0.1 CCC(C)S MCULE-4988033753 [2,0,0,0,0,0|0,1,1]=4 1023 B4R0.1 CCN(=O)=O MCULE-6603591614 [2,0,0,0,0,0|2,0,0]=4 1024 B4R0.1 CCN(C)C MCULE-5825033552 [2,0,0,0,0,0|1,0,1]=4 1025 B4R0.1 CCN(C)N MCULE-2279492356 [2,0,0,0,0,0|2,0,0]=4 1026 B4R0.1 CCN(C)N MCULE-5660338703 [2,0,0,0,0,0|2,0,0]=4 1027 B4R0.1 CCN(C)N MCULE-9839987578 [2,0,0,0,0,0|2,0,0]=4 1028 B4R0.1 CCS(=O)C MCULE-4400935745 [2,0,0,0,0,0|1,0,0]=3 1029 B4R0.1 CCS(=O)O MCULE-9872932319 [2,0,0,0,0,0|2,0,0]=4 1030 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [2,0,0,0,0,0|2,0,0]=4 1031 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [2,0,0,0,0,0|1,0,1]=4 1032 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [2,0,0,0,0,0|1,0,1]=4 1033 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [2,0,0,0,0,0|1,0,1]=4 1034 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [2,0,0,0,0,0|1,0,1]=4 1035 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [2,0,0,0,0,0|0,0,2]=4 1036 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [2,0,0,0,0,0|0,0,2]=4 1037 B4R0.1 CC[C@H](C)N MCULE-2450201533 [2,0,0,0,0,0|1,0,1]=4 1038 B4R0.1 CC[C@H](C)N MCULE-2998961427 [2,0,0,0,0,0|1,0,1]=4 1039 B4R0.1 CC[C@H](C)N MCULE-6692190471 [2,0,0,0,0,0|1,0,1]=4 1040 B4R0.1 CC[C@H](C)N MCULE-6904795465 [2,0,0,0,0,0|1,0,1]=4 1041 B4R0.1 CC[C@H](C)O MCULE-3700911573 [2,0,0,0,0,0|0,0,2]=4 1042 B4R0.1 CC[C@H](C)O MCULE-6063716138 [2,0,0,0,0,0|0,0,2]=4 1043 B4R0.1 CN(C)C=O MCULE-6290117712 [2,0,0,0,0,0|1,0,0]=3 1044 B4R0.1 CN(C)C=S MCULE-3571847382 [2,0,0,0,0,0|1,1,0]=4 1045 B4R0.1 CN(C)N=O MCULE-1157726226 [2,0,0,0,0,0|2,0,0]=4 1046 B4R0.1 CN(N)C=O MCULE-6353057165 [2,0,0,0,0,0|2,0,0]=4 1047 B4R0.1 CNC(=O)C MCULE-2612997941 [2,0,0,0,0,0|1,0,0]=3 1048 B4R0.1 CNC(=O)Cl MCULE-7743744606 [2,0,0,0,0,0|2,0,0]=4 1049 B4R0.1 CNC(=O)N MCULE-6422331704 [2,0,0,0,0,0|2,0,0]=4 1050 B4R0.1 CNC(=S)C MCULE-8699171591 [2,0,0,0,0,0|1,1,0]=4 1051 B4R0.1 COC(=N)C MCULE-2752794913 [2,0,0,0,0,0|2,0,0]=4 1052 B4R0.1 COC(=N)C MCULE-2904991083 [2,0,0,0,0,0|2,0,0]=4 1053 B4R0.1 COC(=O)C MCULE-7368066093 [2,0,0,0,0,0|1,0,0]=3 1054 B4R0.1 COC(=O)Cl MCULE-8022274771 [2,0,0,0,0,0|2,0,0]=4 1055 B4R0.1 COC(=O)N MCULE-4070607369 [2,0,0,0,0,0|2,0,0]=4 1056 B4R0.1 CSC(=O)C MCULE-7061634598 [2,0,0,0,0,0|1,0,0]=3 1057 B4R0.1 CSC(=S)C MCULE-4836153374 [2,0,0,0,0,0|1,1,0]=4 1058 B4R0.1 CSS(=O)C MCULE-6515592458 [2,0,0,0,0,0|2,0,0]=4 1059 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [2,0,0,0,0,0|1,0,1]=4 1060 B4R0.1 C[N+](=CBr)C MCULE-4078543172 [2,0,0,0,0,0|2,0,0]=4 1061 B4R0.1 C[N+](=CBr)C MCULE-9146783444 [2,0,0,0,0,0|2,0,0]=4 1062 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [2,0,0,0,0,0|2,0,0]=4 1063 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [2,0,0,0,0,0|2,0,0]=4 1064 B4R0.1 NC(=O)CBr MCULE-9306090536 [2,0,0,0,0,0|2,0,0]=4 1065 B4R0.1 NC(=O)CCl MCULE-3241549842 [2,0,0,0,0,0|2,0,0]=4 1066 B4R0.1 NC(=O)CF MCULE-3344212657 [2,0,0,0,0,0|2,0,0]=4 1067 B4R0.1 NC(=O)CI MCULE-4217973413 [2,0,0,0,0,0|2,0,0]=4 1068 B4R0.1 NC(=O)CO MCULE-2739878376 [2,0,0,0,0,0|2,0,0]=4 1069 B4R0.1 NC(=O)CS MCULE-2639305532 [2,0,0,0,0,0|2,0,0]=4 1070 B4R0.1 NCC(=O)N MCULE-1048848056 [2,0,0,0,0,0|2,0,0]=4 1071 B4R0.1 NCC(=O)N MCULE-2174395809 [2,0,0,0,0,0|2,0,0]=4 1072 B4R0.1 NCC(=O)N MCULE-6113166250 [2,0,0,0,0,0|2,0,0]=4 1073 B4R0.1 NCC(=O)O MCULE-2415764032 [2,0,0,0,0,0|2,0,0]=4 1074 B4R0.1 NCC(=O)O MCULE-3643110755 [2,0,0,0,0,0|2,0,0]=4 1075 B4R0.1 NCC(=O)O MCULE-4349255299 [2,0,0,0,0,0|2,0,0]=4 1076 B4R0.1 NCC(=O)O MCULE-9146223615 [2,0,0,0,0,0|2,0,0]=4 1077 B4R0.1 NCC(=O)O MCULE-9701991737 [2,0,0,0,0,0|2,0,0]=4 1078 B4R0.1 NCC(=O)S MCULE-9837799864 [2,0,0,0,0,0|2,0,0]=4 1079 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [2,0,0,0,0,0|2,0,0]=4 1080 B4R0.1 O=C(Br)CBr MCULE-6031858200 [2,0,0,0,0,0|2,0,0]=4 1081 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [2,0,0,0,0,0|2,0,0]=4 1082 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [2,0,0,0,0,0|2,0,0]=4 1083 B4R0.1 O=C(Cl)CF MCULE-7182087882 [2,0,0,0,0,0|2,0,0]=4 1084 B4R0.1 O=C(Cl)CI MCULE-5719121455 [2,0,0,0,0,0|2,0,0]=4 1085 B4R0.1 O=C(O)CBr MCULE-1503716137 [2,0,0,0,0,0|2,0,0]=4 1086 B4R0.1 O=C(O)CCl MCULE-9228754880 [2,0,0,0,0,0|2,0,0]=4 1087 B4R0.1 O=C(O)CF MCULE-6584094437 [2,0,0,0,0,0|2,0,0]=4 1088 B4R0.1 O=C(O)CI MCULE-3146792857 [2,0,0,0,0,0|2,0,0]=4 1089 B4R0.1 O=C(O)CO MCULE-9792551388 [2,0,0,0,0,0|2,0,0]=4 1090 B4R0.1 O=C(O)CS MCULE-8097997001 [2,0,0,0,0,0|2,0,0]=4 1091 B4R0.1 O=C([O-])CF MCULE-8428965857 [2,0,0,0,0,0|2,0,0]=4 1092 B4R0.1 O=C([O-])CO MCULE-2780567509 [2,0,0,0,0,0|2,0,0]=4 1093 B4R0.1 O=C([O-])CS MCULE-3314809220 [2,0,0,0,0,0|2,0,0]=4 1094 B4R0.1 O=C([O-])CS MCULE-5989133747 [2,0,0,0,0,0|2,0,0]=4 1095 B4R0.1 O=CC(=O)O MCULE-5307898766 [2,0,0,0,0,0|2,0,0]=4 1096 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [2,0,0,0,0,0|1,0,1]=4 1097 B4R0.2 BrC=CCBr MCULE-1480697982 [2,0,0,0,0,0|2,0,0]=4 1098 B4R0.2 C#CC=CC MCULE-9741359131 [2,0,0,0,0,0|0,0,2]=4 1099 B4R0.2 C/C=C/C#N MCULE-2754343103 [2,0,0,0,0,0|1,0,1]=4 1100 B4R0.2 C/C=C/C=O MCULE-9924705308 [2,0,0,0,0,0|0,0,0]=2 1101 B4R0.2 C/C=C/CCl MCULE-9977493525 [2,0,0,0,0,0|1,0,0]=3 1102 B4R0.2 C/C=C/CO MCULE-2383161163 [2,0,0,0,0,0|1,0,0]=3 1103 B4R0.2 C/C=C/OC MCULE-3906920304 [2,0,0,0,0,0|1,0,0]=3 1104 B4R0.2 C/C=C\CO MCULE-5924662327 [2,0,0,0,0,0|1,0,0]=3 1105 B4R0.2 C=C=CCC MCULE-6123315571 [2,0,0,0,0,0|0,0,1]=3 1106 B4R0.2 C=C=CCN MCULE-5700871644 [2,0,0,0,0,0|1,0,1]=4 1107 B4R0.2 C=C=CCN MCULE-9120483529 [2,0,0,0,0,0|1,0,1]=4 1108 B4R0.2 C=C=CCO MCULE-5424851896 [2,0,0,0,0,0|1,0,1]=4 1109 B4R0.2 C=CC=CC MCULE-4452516287 [2,0,0,0,0,0|0,0,1]=3 1110 B4R0.2 C=CCCBr MCULE-2890129103 [2,0,0,0,0,0|1,0,1]=4 1111 B4R0.2 C=CCCC MCULE-8386546337 [2,0,0,0,0,0|0,0,1]=3 1112 B4R0.2 C=CCCCl MCULE-5903789900 [2,0,0,0,0,0|1,0,1]=4 1113 B4R0.2 C=CCCI MCULE-1055671394 [2,0,0,0,0,0|1,0,1]=4 1114 B4R0.2 C=CCCN MCULE-2471716627 [2,0,0,0,0,0|1,0,1]=4 1115 B4R0.2 C=CCCN MCULE-2881108697 [2,0,0,0,0,0|1,0,1]=4 1116 B4R0.2 C=CCCO MCULE-4582400839 [2,0,0,0,0,0|1,0,1]=4 1117 B4R0.2 C=CCNC MCULE-3335720336 [2,0,0,0,0,0|1,0,1]=4 1118 B4R0.2 C=CCOC MCULE-3321225771 [2,0,0,0,0,0|1,0,1]=4 1119 B4R0.2 C=CCSC MCULE-4452023915 [2,0,0,0,0,0|1,0,1]=4 1120 B4R0.2 C=CNC=O MCULE-8403928899 [2,0,0,0,0,0|1,0,1]=4 1121 B4R0.2 C=COCC MCULE-2569047033 [2,0,0,0,0,0|1,0,0]=3 1122 B4R0.2 C=CSCC MCULE-8927374165 [2,0,0,0,0,0|1,0,0]=3 1123 B4R0.2 CC#CC=O MCULE-9270622693 [2,0,0,0,0,0|0,0,2]=4 1124 B4R0.2 CC#CCC MCULE-8848779220 [2,0,0,0,0,0|0,0,2]=4 1125 B4R0.2 CC=CC#N MCULE-5062019142 [2,0,0,0,0,0|1,0,1]=4 1126 B4R0.2 CC=CC=O MCULE-2497362981 [2,0,0,0,0,0|0,0,0]=2 1127 B4R0.2 CC=CCBr MCULE-7855581866 [2,0,0,0,0,0|1,0,0]=3 1128 B4R0.2 CC=CCC MCULE-5931905453 [2,0,0,0,0,0|0,0,0]=2 1129 B4R0.2 CC=CCCl MCULE-3941962217 [2,0,0,0,0,0|1,0,0]=3 1130 B4R0.2 CC=CCO MCULE-7490725844 [2,0,0,0,0,0|1,0,0]=3 1131 B4R0.2 CC=COC MCULE-6712403535 [2,0,0,0,0,0|1,0,0]=3 1132 B4R0.2 CC=CSC MCULE-5921906156 [2,0,0,0,0,0|1,0,0]=3 1133 B4R0.2 CCC=CBr MCULE-4471551501 [2,0,0,0,0,0|1,0,0]=3 1134 B4R0.2 CCC=NO MCULE-9457280654 [2,0,0,0,0,0|1,0,1]=4 1135 B4R0.2 CCCC=O MCULE-8530391347 [2,0,0,0,0,0|0,0,1]=3 1136 B4R0.2 CCCCC MCULE-4643148765 [2,0,0,0,0,0|0,0,2]=4 1137 B4R0.2 CCCNC MCULE-2266616259 [2,0,0,0,0,0|1,0,1]=4 1138 B4R0.2 CCCNC MCULE-7722796872 [2,0,0,0,0,0|1,0,1]=4 1139 B4R0.2 CCCOC MCULE-5854067718 [2,0,0,0,0,0|1,0,1]=4 1140 B4R0.2 CCCSC MCULE-8387041737 [2,0,0,0,0,0|1,0,1]=4 1141 B4R0.2 CCN=C=O MCULE-6522145601 [2,0,0,0,0,0|1,0,1]=4 1142 B4R0.2 CCNC=O MCULE-9309926274 [2,0,0,0,0,0|1,0,0]=3 1143 B4R0.2 CCNCC MCULE-3395060353 [2,0,0,0,0,0|1,0,1]=4 1144 B4R0.2 CCNCC MCULE-4374609736 [2,0,0,0,0,0|1,0,1]=4 1145 B4R0.2 CCNCC MCULE-4555901025 [2,0,0,0,0,0|1,0,1]=4 1146 B4R0.2 CCNCC MCULE-6895602113 [2,0,0,0,0,0|1,0,1]=4 1147 B4R0.2 CCNOC MCULE-4797714235 [2,0,0,0,0,0|2,0,0]=4 1148 B4R0.2 CCNOC MCULE-6486167423 [2,0,0,0,0,0|2,0,0]=4 1149 B4R0.2 CCOC=N MCULE-5321655909 [2,0,0,0,0,0|2,0,0]=4 1150 B4R0.2 CCOC=N MCULE-8158357614 [2,0,0,0,0,0|2,0,0]=4 1151 B4R0.2 CCOC=O MCULE-6245072161 [2,0,0,0,0,0|1,0,0]=3 1152 B4R0.2 CCOCC MCULE-5665709021 [2,0,0,0,0,0|1,0,1]=4 1153 B4R0.2 CCONC MCULE-5446312516 [2,0,0,0,0,0|2,0,0]=4 1154 B4R0.2 CCONC MCULE-7976027802 [2,0,0,0,0,0|2,0,0]=4 1155 B4R0.2 CCSCC MCULE-6480710239 [2,0,0,0,0,0|1,0,1]=4 1156 B4R0.2 CCSSC MCULE-9430585714 [2,0,0,0,0,0|2,0,0]=4 1157 B4R0.2 CC[NH2+]CC MCULE-9899430356 [2,0,0,0,0,0|1,0,1]=4 1158 B4R0.2 COCC=O MCULE-9427361019 [2,0,0,0,0,0|1,0,1]=4 1159 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [2,0,0,0,0,0|2,0,0]=4 1160 B4R0.2 ClC/C=C/Br MCULE-1061414929 [2,0,0,0,0,0|2,0,0]=4 1161 B4R0.2 ClC=CCCl MCULE-4655672652 [2,0,0,0,0,0|2,0,0]=4 1162 B4R0.2 N/C=C/C=O MCULE-2444951625 [2,0,0,0,0,0|1,0,0]=3 1163 B4R0.2 NC=CC=O MCULE-4070918342 [2,0,0,0,0,0|1,0,0]=3 1164 B4R0.2 O=CCCBr MCULE-4107157458 [2,0,0,0,0,0|1,0,1]=4 1165 B4R0.2 O=CCCCl MCULE-5863929313 [2,0,0,0,0,0|1,0,1]=4 1166 B4R0.2 O=CCCI MCULE-9771140462 [2,0,0,0,0,0|1,0,1]=4 1167 B4R0.2 O=CCCO MCULE-1685289763 [2,0,0,0,0,0|1,0,1]=4 1168 B4R0.2 O=CNC=O MCULE-3098379420 [2,0,0,0,0,0|2,0,0]=4 1169 B4R0.2 O=COC=O MCULE-6311384332 [2,0,0,0,0,0|2,0,0]=4 1170 B4R0.2 O=C[N-]C=O MCULE-4923470284 [2,0,0,0,0,0|2,0,0]=4 1171 B4R0.2 OC=CCCl MCULE-4750991393 [2,0,0,0,0,0|1,0,1]=4 1172 B4R0.2 OCC=CBr MCULE-4636104289 [2,0,0,0,0,0|2,0,0]=4 1173 B4R0.2 OCC=CCl MCULE-2110127594 [2,0,0,0,0,0|2,0,0]=4 1174 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [2,0,0,0,0,0|1,0,1]=4 1175 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [1,1,0,0,0,0|0,0,1]=3 1176 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [1,1,0,0,0,0|0,0,2]=4 1177 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [1,1,0,0,0,0|0,0,1]=3 1178 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [1,1,0,0,0,0|0,0,1]=3 1179 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [1,1,0,0,0,0|0,0,1]=3 1180 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [1,1,0,0,0,0|1,0,1]=4 1181 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [1,1,0,0,0,0|1,0,1]=4 1182 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [1,1,0,0,0,0|1,0,1]=4 1183 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [1,1,0,0,0,0|1,0,1]=4 1184 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [1,1,0,0,0,0|1,0,1]=4 1185 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [1,1,0,0,0,0|1,0,1]=4 1186 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [1,1,0,0,0,0|1,0,1]=4 1187 B6R0.2 CC(=CC(C)C)C MCULE-5460531772 [1,1,0,0,0,0|0,0,1]=3 1188 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [1,1,0,0,0,0|0,0,1]=3 1189 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [1,1,0,0,0,0|0,0,2]=4 1190 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [1,1,0,0,0,0|1,0,1]=4 1191 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [1,1,0,0,0,0|0,0,1]=3 1192 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [1,1,0,0,0,0|0,0,1]=3 1193 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [1,1,0,0,0,0|0,0,1]=3 1194 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [1,1,0,0,0,0|0,0,1]=3 1195 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [1,1,0,0,0,0|0,0,1]=3 1196 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [1,1,0,0,0,0|0,0,1]=3 1197 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [1,1,0,0,0,0|0,0,1]=3 1198 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [1,1,0,0,0,0|0,0,1]=3 1199 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [1,1,0,0,0,0|0,0,2]=4 1200 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [1,1,0,0,0,0|0,0,1]=3 1201 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [1,1,0,0,0,0|0,0,1]=3 1202 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [1,1,0,0,0,0|0,0,1]=3 1203 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [1,1,0,0,0,0|0,0,1]=3 1204 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [1,1,0,0,0,0|1,0,1]=4 1205 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [1,1,0,0,0,0|0,0,1]=3 1206 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [1,1,0,0,0,0|0,0,1]=3 1207 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [1,1,0,0,0,0|1,0,1]=4 1208 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [1,1,0,0,0,0|1,0,0]=3 1209 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [1,1,0,0,0,0|2,0,0]=4 1210 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [1,1,0,0,0,0|2,0,0]=4 1211 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [1,1,0,0,0,0|1,0,1]=4 1212 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [1,1,0,0,0,0|1,0,0]=3 1213 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [1,1,0,0,0,0|1,0,0]=3 1214 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [1,1,0,0,0,0|1,0,0]=3 1215 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [1,1,0,0,0,0|1,0,1]=4 1216 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [1,1,0,0,0,0|0,0,2]=4 1217 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [1,1,0,0,0,0|0,0,2]=4 1218 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [1,1,0,0,0,0|1,0,1]=4 1219 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [1,1,0,0,0,0|1,0,1]=4 1220 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [1,1,0,0,0,0|1,0,1]=4 1221 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [1,1,0,0,0,0|1,0,1]=4 1222 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [1,1,0,0,0,0|2,0,0]=4 1223 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [1,1,0,0,0,0|2,0,0]=4 1224 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [1,1,0,0,0,0|2,0,0]=4 1225 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [1,1,0,0,0,0|2,0,0]=4 1226 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [1,1,0,0,0,0|1,0,1]=4 1227 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [1,1,0,0,0,0|1,0,1]=4 1228 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [1,1,0,0,0,0|2,0,0]=4 1229 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [1,1,0,0,0,0|1,0,1]=4 1230 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [1,1,0,0,0,0|1,0,1]=4 1231 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [1,1,0,0,0,0|1,0,1]=4 1232 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [1,1,0,0,0,0|1,0,1]=4 1233 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [1,1,0,0,0,0|1,0,1]=4 1234 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [1,1,0,0,0,0|1,0,1]=4 1235 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [1,1,0,0,0,0|1,0,1]=4 1236 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [1,1,0,0,0,0|1,0,1]=4 1237 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [1,1,0,0,0,0|1,0,1]=4 1238 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [1,1,0,0,0,0|1,0,1]=4 1239 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [1,1,0,0,0,0|1,0,1]=4 1240 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [1,1,0,0,0,0|1,0,1]=4 1241 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [1,1,0,0,0,0|1,0,1]=4 1242 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [1,1,0,0,0,0|1,0,1]=4 1243 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [1,1,0,0,0,0|1,0,1]=4 1244 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [1,1,0,0,0,0|1,0,1]=4 1245 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [1,1,0,0,0,0|1,0,1]=4 1246 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [1,1,0,0,0,0|1,0,1]=4 1247 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [1,1,0,0,0,0|1,0,1]=4 1248 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [1,1,0,0,0,0|1,0,1]=4 1249 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [1,1,0,0,0,0|1,0,1]=4 1250 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [1,1,0,0,0,0|1,0,1]=4 1251 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [1,1,0,0,0,0|1,0,1]=4 1252 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [1,1,0,0,0,0|1,0,1]=4 1253 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [1,1,0,0,0,0|1,0,1]=4 1254 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [1,1,0,0,0,0|1,0,1]=4 1255 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [1,1,0,0,0,0|1,0,1]=4 1256 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [1,1,0,0,0,0|1,0,1]=4 1257 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [1,1,0,0,0,0|1,0,1]=4 1258 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [1,1,0,0,0,0|1,0,1]=4 1259 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [1,1,0,0,0,0|1,0,1]=4 1260 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [1,1,0,0,0,0|1,0,1]=4 1261 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [1,1,0,0,0,0|1,0,1]=4 1262 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [1,1,0,0,0,0|1,0,1]=4 1263 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [1,1,0,0,0,0|1,0,1]=4 1264 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [1,1,0,0,0,0|1,0,1]=4 1265 B6R0.3 C=C(Br)C(=O)OC MCULE-6192595524 [1,1,0,0,0,0|2,0,0]=4 1266 B6R0.3 C=C(C)C(=O)NC MCULE-9515227181 [1,1,0,0,0,0|1,0,0]=3 1267 B6R0.3 C=C(C)C(=O)NN MCULE-5114453960 [1,1,0,0,0,0|2,0,0]=4 1268 B6R0.3 C=C(C)C(=O)OC MCULE-9286083206 [1,1,0,0,0,0|1,0,0]=3 1269 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [1,1,0,0,0,0|0,0,1]=3 1270 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [1,1,0,0,0,0|2,0,0]=4 1271 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [1,1,0,0,0,0|1,0,0]=3 1272 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [1,1,0,0,0,0|2,0,0]=4 1273 B6R0.3 C=C(Cl)C(=O)OC MCULE-6494333767 [1,1,0,0,0,0|2,0,0]=4 1274 B6R0.3 C=C(F)C(=O)OC MCULE-8485282148 [1,1,0,0,0,0|2,0,0]=4 1275 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [1,1,0,0,0,0|2,0,0]=4 1276 B6R0.3 CC(=C(Br)CBr)C MCULE-2575044530 [1,1,0,0,0,0|1,0,1]=4 1277 B6R0.3 CC(=C(Br)CN)C MCULE-2433306744 [1,1,0,0,0,0|1,0,1]=4 1278 B6R0.3 CC(=C(C)CO)C MCULE-2852322197 [1,1,0,0,0,0|1,0,1]=4 1279 B6R0.3 CC(=C(F)CN)C MCULE-8503104664 [1,1,0,0,0,0|1,0,1]=4 1280 B6R0.3 CC(=C(F)CN)C MCULE-8932417146 [1,1,0,0,0,0|1,0,1]=4 1281 B6R0.3 CC(=C(F)CO)C MCULE-3552996593 [1,1,0,0,0,0|1,0,1]=4 1282 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [1,1,0,0,0,0|2,0,0]=4 1283 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [1,1,0,0,0,0|2,0,0]=4 1284 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [1,1,0,0,0,0|2,0,0]=4 1285 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [1,1,0,0,0,0|2,0,0]=4 1286 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [1,1,0,0,0,0|1,0,0]=3 1287 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [1,1,0,0,0,0|1,0,0]=3 1288 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [1,1,0,0,0,0|1,0,1]=4 1289 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [1,1,0,0,0,0|1,0,1]=4 1290 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [1,1,0,0,0,0|1,0,1]=4 1291 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [1,1,0,0,0,0|1,0,1]=4 1292 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [1,1,0,0,0,0|0,0,1]=3 1293 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [1,1,0,0,0,0|1,0,1]=4 1294 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [1,1,0,0,0,0|1,0,1]=4 1295 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [1,1,0,0,0,0|1,0,1]=4 1296 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [1,1,0,0,0,0|1,0,1]=4 1297 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [1,1,0,0,0,0|1,0,1]=4 1298 B6R0.3 CCC(=C(C)C)C MCULE-7258057243 [1,1,0,0,0,0|0,0,1]=3 1299 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [1,1,0,0,0,0|0,0,0]=2 1300 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [1,1,0,0,0,0|1,0,0]=3 1301 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [1,1,0,0,0,0|1,0,0]=3 1302 B6R0.3 CCC(=O)C(C)Br MCULE-2803556971 [1,1,0,0,0,0|1,0,1]=4 1303 B6R0.3 CCC(=O)C(C)C MCULE-9576230007 [1,1,0,0,0,0|0,0,2]=4 1304 B6R0.3 CCC(=O)C(C)Cl MCULE-8346980404 [1,1,0,0,0,0|1,0,1]=4 1305 B6R0.3 CCC(=O)C(C)N MCULE-5434634349 [1,1,0,0,0,0|1,0,1]=4 1306 B6R0.3 CCC(=O)C(C)N MCULE-8408562669 [1,1,0,0,0,0|1,0,1]=4 1307 B6R0.3 CCC(=O)C(C)O MCULE-4144791660 [1,1,0,0,0,0|0,0,2]=4 1308 B6R0.3 CCC(=O)C(C)S MCULE-3934356624 [1,1,0,0,0,0|0,1,1]=4 1309 B6R0.3 CCC(=O)N(C)C MCULE-1734001200 [1,1,0,0,0,0|1,0,1]=4 1310 B6R0.3 CCC(=S)N(C)C MCULE-7026282622 [1,1,0,0,0,0|1,0,1]=4 1311 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [1,1,0,0,0,0|1,0,1]=4 1312 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [1,1,0,0,0,0|0,0,1]=3 1313 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [1,1,0,0,0,0|1,0,1]=4 1314 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [1,1,0,0,0,0|1,0,1]=4 1315 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [1,1,0,0,0,0|1,0,1]=4 1316 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [1,1,0,0,0,0|0,0,1]=3 1317 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [1,1,0,0,0,0|1,0,1]=4 1318 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [1,1,0,0,0,0|1,0,1]=4 1319 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [1,1,0,0,0,0|1,0,1]=4 1320 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [1,1,0,0,0,0|1,0,1]=4 1321 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [1,1,0,0,0,0|1,0,1]=4 1322 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [1,1,0,0,0,0|1,0,1]=4 1323 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [1,1,0,0,0,0|1,0,1]=4 1324 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [1,1,0,0,0,0|1,0,1]=4 1325 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [1,1,0,0,0,0|1,0,1]=4 1326 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [1,1,0,0,0,0|1,0,1]=4 1327 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [1,1,0,0,0,0|1,0,1]=4 1328 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [1,1,0,0,0,0|1,0,1]=4 1329 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [1,1,0,0,0,0|1,0,1]=4 1330 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [1,1,0,0,0,0|1,0,1]=4 1331 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [1,1,0,0,0,0|1,0,1]=4 1332 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [1,1,0,0,0,0|1,0,1]=4 1333 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [1,1,0,0,0,0|1,0,1]=4 1334 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [1,1,0,0,0,0|1,0,1]=4 1335 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [1,1,0,0,0,0|1,0,1]=4 1336 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [1,1,0,0,0,0|1,0,1]=4 1337 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [1,1,0,0,0,0|1,0,1]=4 1338 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [1,1,0,0,0,0|0,0,1]=3 1339 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [1,1,0,0,0,0|1,0,1]=4 1340 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [1,1,0,0,0,0|1,0,0]=3 1341 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [1,1,0,0,0,0|2,0,0]=4 1342 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [1,1,0,0,0,0|2,0,0]=4 1343 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [1,1,0,0,0,0|1,0,0]=3 1344 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [1,1,0,0,0,0|1,0,1]=4 1345 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [1,1,0,0,0,0|1,0,1]=4 1346 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [1,1,0,0,0,0|1,0,1]=4 1347 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [1,1,0,0,0,0|1,0,1]=4 1348 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [1,1,0,0,0,0|1,0,1]=4 1349 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [1,1,0,0,0,0|1,0,1]=4 1350 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [1,1,0,0,0,0|1,0,1]=4 1351 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [1,1,0,0,0,0|1,0,1]=4 1352 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [1,1,0,0,0,0|1,0,1]=4 1353 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [1,1,0,0,0,0|1,0,1]=4 1354 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [1,1,0,0,0,0|1,0,1]=4 1355 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [1,1,0,0,0,0|1,0,1]=4 1356 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [1,1,0,0,0,0|1,0,1]=4 1357 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [1,1,0,0,0,0|1,0,1]=4 1358 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [1,1,0,0,0,0|1,0,1]=4 1359 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [1,1,0,0,0,0|1,0,1]=4 1360 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [1,1,0,0,0,0|1,0,1]=4 1361 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [1,1,0,0,0,0|1,0,1]=4 1362 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [1,1,0,0,0,0|1,0,1]=4 1363 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [1,1,0,0,0,0|1,0,1]=4 1364 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [1,1,0,0,0,0|1,0,1]=4 1365 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [1,1,0,0,0,0|1,0,1]=4 1366 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [1,1,0,0,0,0|1,0,1]=4 1367 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [1,1,0,0,0,0|1,0,1]=4 1368 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [1,1,0,0,0,0|1,0,1]=4 1369 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [1,1,0,0,0,0|1,0,1]=4 1370 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [1,1,0,0,0,0|1,0,1]=4 1371 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [1,1,0,0,0,0|1,0,1]=4 1372 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [1,1,0,0,0,0|1,0,1]=4 1373 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [1,1,0,0,0,0|1,0,1]=4 1374 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [1,1,0,0,0,0|1,0,1]=4 1375 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [1,1,0,0,0,0|1,0,1]=4 1376 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [1,1,0,0,0,0|1,0,1]=4 1377 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [1,1,0,0,0,0|1,0,1]=4 1378 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [1,1,0,0,0,0|2,0,0]=4 1379 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [1,1,0,0,0,0|1,0,0]=3 1380 B6R0.3 COC(=O)C(=O)Cl MCULE-1380456689 [1,1,0,0,0,0|2,0,0]=4 1381 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [1,1,0,0,0,0|2,0,0]=4 1382 B6R0.3 COC(=O)C(=O)[O-] MCULE-5187907456 [1,1,0,0,0,0|2,0,0]=4 1383 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [1,1,0,0,0,0|1,0,1]=4 1384 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [1,1,0,0,0,0|1,0,1]=4 1385 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [1,1,0,0,0,0|2,0,0]=4 1386 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [1,1,0,0,0,0|1,0,1]=4 1387 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [1,1,0,0,0,0|2,0,0]=4 1388 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [1,1,0,0,0,0|2,0,0]=4 1389 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [1,1,0,0,0,0|2,0,0]=4 1390 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [1,1,0,0,0,0|2,0,0]=4 1391 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [1,1,0,0,0,0|2,0,0]=4 1392 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [1,1,0,0,0,0|2,0,0]=4 1393 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [1,1,0,0,0,0|2,0,0]=4 1394 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [1,1,0,0,0,0|2,0,0]=4 1395 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [1,1,0,0,0,0|1,0,1]=4 1396 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [1,1,0,0,0,0|0,0,2]=4 1397 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [1,1,0,0,0,0|1,0,1]=4 1398 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [1,1,0,0,0,0|1,0,1]=4 1399 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [1,1,0,0,0,0|1,0,1]=4 1400 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [1,1,0,0,0,0|1,0,1]=4 1401 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [1,1,0,0,0,0|1,0,1]=4 1402 B6R0.4 C=C(C)CCC#N MCULE-9953519474 [1,1,0,0,0,0|0,0,2]=4 1403 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [1,1,0,0,0,0|0,0,1]=3 1404 B6R0.4 C=C(C)CCCC MCULE-1010177756 [1,1,0,0,0,0|0,0,1]=3 1405 B6R0.4 C=C(C)CCCO MCULE-4629274490 [1,1,0,0,0,0|0,0,1]=3 1406 B6R0.4 C=C(C)CNCC MCULE-2237759977 [1,1,0,0,0,0|0,0,1]=3 1407 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [1,1,0,0,0,0|1,0,1]=4 1408 B6R0.4 C=C(F)CCCO MCULE-1688645687 [1,1,0,0,0,0|1,0,1]=4 1409 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [1,1,0,0,0,0|0,0,2]=4 1410 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [1,1,0,0,0,0|0,0,2]=4 1411 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [1,1,0,0,0,0|1,0,1]=4 1412 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [1,1,0,0,0,0|1,0,1]=4 1413 B6R0.4 CC(=CCC#N)C MCULE-1406666578 [1,1,0,0,0,0|0,0,2]=4 1414 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [1,1,0,0,0,0|0,0,1]=3 1415 B6R0.4 CC(=CCCN)C MCULE-9185531904 [1,1,0,0,0,0|0,0,1]=3 1416 B6R0.4 CC(=CCCO)C MCULE-2493404466 [1,1,0,0,0,0|0,0,1]=3 1417 B6R0.4 CC(=CCCO)C MCULE-8497528596 [1,1,0,0,0,0|0,0,1]=3 1418 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [1,1,0,0,0,0|0,0,2]=4 1419 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [1,1,0,0,0,0|0,0,2]=4 1420 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [1,1,0,0,0,0|0,0,1]=3 1421 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [1,1,0,0,0,0|0,0,1]=3 1422 B6R0.4 CC(=O)CCCO MCULE-1335342150 [1,1,0,0,0,0|0,0,1]=3 1423 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [1,1,0,0,0,0|1,0,1]=4 1424 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [1,1,0,0,0,0|1,0,0]=3 1425 B6R0.4 CC(=O)NCCN MCULE-2230084818 [1,1,0,0,0,0|1,0,0]=3 1426 B6R0.4 CC(=O)NCCO MCULE-5968518415 [1,1,0,0,0,0|1,0,0]=3 1427 B6R0.4 CC(=O)NCCS MCULE-3345813615 [1,1,0,0,0,0|1,0,0]=3 1428 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [1,1,0,0,0,0|1,0,1]=4 1429 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [1,1,0,0,0,0|1,0,0]=3 1430 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [1,1,0,0,0,0|1,0,0]=3 1431 B6R0.4 CC(=O)OCCN MCULE-4530529900 [1,1,0,0,0,0|1,0,0]=3 1432 B6R0.4 CC(=O)OCCN MCULE-6854340494 [1,1,0,0,0,0|1,0,0]=3 1433 B6R0.4 CC(=O)OCCO MCULE-1251660436 [1,1,0,0,0,0|1,0,0]=3 1434 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [1,1,0,0,0,0|1,0,1]=4 1435 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [1,1,0,0,0,0|1,0,0]=3 1436 B6R0.4 CC(=O)SCCN MCULE-3819903256 [1,1,0,0,0,0|1,0,0]=3 1437 B6R0.4 CC(=O)SCCN MCULE-4872130470 [1,1,0,0,0,0|1,0,0]=3 1438 B6R0.4 CC(=O)SCCN MCULE-7084821345 [1,1,0,0,0,0|1,0,0]=3 1439 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [1,1,0,0,0,0|2,0,0]=4 1440 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [1,1,0,0,0,0|2,0,0]=4 1441 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [1,1,0,0,0,0|1,0,0]=3 1442 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [1,1,0,0,0,0|1,0,0]=3 1443 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [1,1,0,0,0,0|1,0,1]=4 1444 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [1,1,0,0,0,0|0,0,1]=3 1445 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [1,1,0,0,0,0|1,0,1]=4 1446 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [1,1,0,0,0,0|0,0,0]=2 1447 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [1,1,0,0,0,0|1,0,0]=3 1448 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [1,1,0,0,0,0|1,0,0]=3 1449 B6R0.4 CCCC=C(C)C MCULE-2110588796 [1,1,0,0,0,0|0,0,1]=3 1450 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [1,1,0,0,0,0|1,0,1]=4 1451 B6R0.4 CCCCC(=O)C MCULE-3554390184 [1,1,0,0,0,0|0,0,1]=3 1452 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [1,1,0,0,0,0|1,0,1]=4 1453 B6R0.4 CCCCC(=O)N MCULE-6419483436 [1,1,0,0,0,0|1,0,1]=4 1454 B6R0.4 CCCCC(=O)O MCULE-2333640078 [1,1,0,0,0,0|1,0,1]=4 1455 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [1,1,0,0,0,0|1,0,1]=4 1456 B6R0.4 CCCNC(=O)C MCULE-5899703886 [1,1,0,0,0,0|0,0,1]=3 1457 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [1,1,0,0,0,0|1,0,1]=4 1458 B6R0.4 CCCNC(=O)N MCULE-8528844765 [1,1,0,0,0,0|1,0,1]=4 1459 B6R0.4 CCCOC(=O)C MCULE-7327042566 [1,1,0,0,0,0|0,0,1]=3 1460 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [1,1,0,0,0,0|1,0,1]=4 1461 B6R0.4 CCCOC(=O)N MCULE-2760622567 [1,1,0,0,0,0|1,0,1]=4 1462 B6R0.4 CCCSC(=O)C MCULE-4329646671 [1,1,0,0,0,0|0,0,1]=3 1463 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [1,1,0,0,0,0|1,0,1]=4 1464 B6R0.4 CCN=CC(C)C MCULE-7306741362 [1,1,0,0,0,0|0,0,2]=4 1465 B6R0.4 CCNCC(=O)C MCULE-5799315547 [1,1,0,0,0,0|0,0,1]=3 1466 B6R0.4 CCNCC(=O)C MCULE-9258294157 [1,1,0,0,0,0|0,0,1]=3 1467 B6R0.4 CCNCC(=O)N MCULE-1787248899 [1,1,0,0,0,0|1,0,1]=4 1468 B6R0.4 CCNCC(=O)N MCULE-3821700273 [1,1,0,0,0,0|1,0,1]=4 1469 B6R0.4 CCNCC(=O)O MCULE-5989480216 [1,1,0,0,0,0|1,0,1]=4 1470 B6R0.4 CCNCC(=O)O MCULE-8087863397 [1,1,0,0,0,0|1,0,1]=4 1471 B6R0.4 CCOCC(=O)C MCULE-2825677443 [1,1,0,0,0,0|0,0,1]=3 1472 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [1,1,0,0,0,0|1,0,1]=4 1473 B6R0.4 CCOCC(=O)O MCULE-1726530898 [1,1,0,0,0,0|1,0,1]=4 1474 B6R0.4 CCSCC(=O)C MCULE-9872082780 [1,1,0,0,0,0|0,0,1]=3 1475 B6R0.4 CCSCC(=O)O MCULE-7471335718 [1,1,0,0,0,0|1,0,1]=4 1476 B6R0.4 CNCCC(=O)N MCULE-1118876220 [1,1,0,0,0,0|1,0,1]=4 1477 B6R0.4 CNCCC(=O)N MCULE-6679713144 [1,1,0,0,0,0|1,0,1]=4 1478 B6R0.4 CNCCC(=O)O MCULE-3627988097 [1,1,0,0,0,0|1,0,1]=4 1479 B6R0.4 CNCCC(=O)O MCULE-9858204248 [1,1,0,0,0,0|1,0,1]=4 1480 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [1,1,0,0,0,0|0,0,1]=3 1481 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [1,1,0,0,0,0|1,0,1]=4 1482 B6R0.4 COC=CC(=O)C MCULE-4868833764 [1,1,0,0,0,0|0,0,1]=3 1483 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [1,1,0,0,0,0|1,0,1]=4 1484 B6R0.4 COC=CC(=O)O MCULE-4252899122 [1,1,0,0,0,0|1,0,1]=4 1485 B6R0.4 COCCC(=O)C MCULE-5939812376 [1,1,0,0,0,0|0,0,1]=3 1486 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [1,1,0,0,0,0|1,0,1]=4 1487 B6R0.4 COCCC(=O)N MCULE-7556483675 [1,1,0,0,0,0|1,0,1]=4 1488 B6R0.4 COCCC(=O)O MCULE-3436347115 [1,1,0,0,0,0|1,0,1]=4 1489 B6R0.4 COCNC(=O)N MCULE-8367032240 [1,1,0,0,0,0|2,0,0]=4 1490 B6R0.4 COCOC(=O)C MCULE-8876091916 [1,1,0,0,0,0|1,0,0]=3 1491 B6R0.4 CON=CC(=O)O MCULE-6800819509 [1,1,0,0,0,0|2,0,0]=4 1492 B6R0.4 CS(=O)CCCN MCULE-1124989526 [1,1,0,0,0,0|1,0,1]=4 1493 B6R0.4 CS(=O)CCCN MCULE-8758903495 [1,1,0,0,0,0|1,0,1]=4 1494 B6R0.4 CSCCC(=O)C MCULE-6178663156 [1,1,0,0,0,0|0,0,1]=3 1495 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [1,1,0,0,0,0|1,0,1]=4 1496 B6R0.4 CSCCC(=O)N MCULE-7105035733 [1,1,0,0,0,0|1,0,1]=4 1497 B6R0.4 CSCCC(=O)O MCULE-9550032941 [1,1,0,0,0,0|1,0,1]=4 1498 B6R0.4 CSCOC(=O)C MCULE-1498769347 [1,1,0,0,0,0|1,0,0]=3 1499 B6R0.4 FC(=CCCBr)F MCULE-2616028843 [1,1,0,0,0,0|2,0,0]=4 1500 B6R0.4 FC(=CCCCl)F MCULE-2193644602 [1,1,0,0,0,0|2,0,0]=4 1501 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [1,1,0,0,0,0|1,0,1]=4 1502 B6R0.4 NC(=O)CCCO MCULE-3779341561 [1,1,0,0,0,0|1,0,1]=4 1503 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [1,1,0,0,0,0|2,0,0]=4 1504 B6R0.4 NC(=O)NCCF MCULE-9526714989 [1,1,0,0,0,0|2,0,0]=4 1505 B6R0.4 NC(=O)NCCO MCULE-2353513655 [1,1,0,0,0,0|2,0,0]=4 1506 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [1,1,0,0,0,0|2,0,0]=4 1507 B6R0.4 NC(=O)OCCO MCULE-7565460845 [1,1,0,0,0,0|2,0,0]=4 1508 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [1,1,0,0,0,0|1,0,1]=4 1509 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [1,1,0,0,0,0|1,0,1]=4 1510 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [1,1,0,0,0,0|1,0,1]=4 1511 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [1,1,0,0,0,0|1,0,1]=4 1512 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [1,1,0,0,0,0|1,0,1]=4 1513 B6R0.4 NCCCC(=O)N MCULE-8039142092 [1,1,0,0,0,0|1,0,1]=4 1514 B6R0.4 NCCCC(=O)N MCULE-8262250872 [1,1,0,0,0,0|1,0,1]=4 1515 B6R0.4 NCCCC(=O)O MCULE-3615304273 [1,1,0,0,0,0|1,0,1]=4 1516 B6R0.4 NCCCC(=O)O MCULE-7613134021 [1,1,0,0,0,0|1,0,1]=4 1517 B6R0.4 NCCNC(=O)N MCULE-1197396950 [1,1,0,0,0,0|2,0,0]=4 1518 B6R0.4 NCCNC(=O)N MCULE-2171700183 [1,1,0,0,0,0|2,0,0]=4 1519 B6R0.4 NCCNC(=O)N MCULE-3799764813 [1,1,0,0,0,0|2,0,0]=4 1520 B6R0.4 NCCOC(=O)N MCULE-4144808257 [1,1,0,0,0,0|2,0,0]=4 1521 B6R0.4 NCCOC(=O)N MCULE-5815053840 [1,1,0,0,0,0|2,0,0]=4 1522 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [1,1,0,0,0,0|1,0,1]=4 1523 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [1,1,0,0,0,0|1,0,1]=4 1524 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [1,1,0,0,0,0|2,0,0]=4 1525 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [1,1,0,0,0,0|2,0,0]=4 1526 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [1,1,0,0,0,0|2,0,0]=4 1527 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [1,1,0,0,0,0|1,0,1]=4 1528 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [1,1,0,0,0,0|1,0,1]=4 1529 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [1,1,0,0,0,0|1,0,1]=4 1530 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [1,1,0,0,0,0|1,0,1]=4 1531 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [1,1,0,0,0,0|1,0,1]=4 1532 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [1,1,0,0,0,0|1,0,1]=4 1533 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [1,1,0,0,0,0|1,0,1]=4 1534 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [1,1,0,0,0,0|1,0,1]=4 1535 B6R0.4 O=C(O)CCCF MCULE-2415675768 [1,1,0,0,0,0|1,0,1]=4 1536 B6R0.4 O=C(O)CCCI MCULE-7794841553 [1,1,0,0,0,0|1,0,1]=4 1537 B6R0.4 O=C(O)CCCS MCULE-3352840152 [1,1,0,0,0,0|1,0,1]=4 1538 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [1,1,0,0,0,0|1,0,1]=4 1539 B6R0.5 CCNS(=O)(=O)C MCULE-7880259383 [1,1,0,0,0,0|2,0,0]=4 1540 B6R0.5 CCOP(=O)(C)S MCULE-4864782374 [1,1,0,0,0,0|2,0,0]=4 1541 B6R0.5 CCOS(=O)(=O)C MCULE-7269389229 [1,1,0,0,0,0|2,0,0]=4 1542 B6R0.6 C(=C/CCC)\CO MCULE-6491762150 [1,1,0,0,0,0|0,0,2]=4 1543 B6R0.6 C/C=C/C=C/C#N MCULE-3461215979 [1,1,0,0,0,0|1,0,1]=4 1544 B6R0.6 C/C=C/C=C/C=O MCULE-9837225903 [1,1,0,0,0,0|0,0,1]=3 1545 B6R0.6 C/C=C/C=C/CO MCULE-3717958585 [1,1,0,0,0,0|0,0,2]=4 1546 B6R0.6 C/C=C/CCCC MCULE-6900331316 [1,1,0,0,0,0|1,0,1]=4 1547 B6R0.6 C/C=C/CCCO MCULE-9865436125 [1,1,0,0,0,0|1,0,1]=4 1548 B6R0.6 C/C=C\CCCC MCULE-8426867799 [1,1,0,0,0,0|1,0,1]=4 1549 B6R0.6 C/C=C\CCCO MCULE-3169839661 [1,1,0,0,0,0|1,0,1]=4 1550 B6R0.6 C=CC=CCCBr MCULE-8528821525 [1,1,0,0,0,0|1,0,0]=3 1551 B6R0.6 C=CC=CCCN MCULE-8129949310 [1,1,0,0,0,0|1,0,0]=3 1552 B6R0.6 C=CC=CCCO MCULE-5956097722 [1,1,0,0,0,0|1,0,0]=3 1553 B6R0.6 CC/C=C/CCC MCULE-5222700461 [1,1,0,0,0,0|1,0,1]=4 1554 B6R0.6 CC/C=C/CCO MCULE-9853729917 [1,1,0,0,0,0|0,0,2]=4 1555 B6R0.6 CC/C=C\CC=O MCULE-1715953159 [1,1,0,0,0,0|0,0,0]=2 1556 B6R0.6 CC/C=C\CCO MCULE-9206958060 [1,1,0,0,0,0|0,0,2]=4 1557 B6R0.6 CC=CC=CC#N MCULE-2944741082 [1,1,0,0,0,0|1,0,1]=4 1558 B6R0.6 CC=CC=CC=O MCULE-7370101773 [1,1,0,0,0,0|0,0,1]=3 1559 B6R0.6 CC=CC=CCN MCULE-9780064235 [1,1,0,0,0,0|1,0,1]=4 1560 B6R0.6 CC=CC=CCO MCULE-1802738822 [1,1,0,0,0,0|0,0,2]=4 1561 B6R0.6 CC=CCCCBr MCULE-1109208969 [1,1,0,0,0,0|1,0,1]=4 1562 B6R0.6 CC=CCCCC MCULE-7277981733 [1,1,0,0,0,0|1,0,1]=4 1563 B6R0.6 CC=CCCCCl MCULE-7487798637 [1,1,0,0,0,0|1,0,1]=4 1564 B6R0.6 CC=CCCCO MCULE-1401303632 [1,1,0,0,0,0|1,0,1]=4 1565 B6R0.6 CC=CSCCC MCULE-3534082442 [1,1,0,0,0,0|1,0,1]=4 1566 B6R0.6 CCC#CCC=O MCULE-4049790039 [1,1,0,0,0,0|0,0,2]=4 1567 B6R0.6 CCC/C=C/C=O MCULE-3059768922 [1,1,0,0,0,0|0,0,0]=2 1568 B6R0.6 CCC=CCC=O MCULE-5764198290 [1,1,0,0,0,0|0,0,0]=2 1569 B6R0.6 CCC=CCCBr MCULE-7873583643 [1,1,0,0,0,0|1,0,1]=4 1570 B6R0.6 CCC=CCCC MCULE-3739501724 [1,1,0,0,0,0|1,0,1]=4 1571 B6R0.6 CCC=CCCI MCULE-9416216252 [1,1,0,0,0,0|1,0,1]=4 1572 B6R0.6 CCC=CCCO MCULE-1781375433 [1,1,0,0,0,0|0,0,2]=4 1573 B6R0.6 CCC=COCC MCULE-1991976030 [1,1,0,0,0,0|1,0,1]=4 1574 B6R0.6 CCCC=CC=O MCULE-5273169296 [1,1,0,0,0,0|0,0,0]=2 1575 B6R0.6 CCCC=CCBr MCULE-2474104566 [1,1,0,0,0,0|1,0,1]=4 1576 B6R0.6 CCCC=CCO MCULE-3204738641 [1,1,0,0,0,0|0,0,2]=4 1577 B6R0.6 CCCCCC=O MCULE-6770578514 [1,1,0,0,0,0|0,0,2]=4 1578 B6R0.6 CCCCNC=O MCULE-8821792924 [1,1,0,0,0,0|0,0,2]=4 1579 B6R0.6 CCCCOC=O MCULE-4633421026 [1,1,0,0,0,0|0,0,2]=4 1580 B6R0.6 CCO/C=C/C#N MCULE-4278586794 [1,1,0,0,0,0|1,0,1]=4 1581 B6R0.6 CCOC=CC#N MCULE-5002780993 [1,1,0,0,0,0|1,0,1]=4 1582 B6R0.6 CCOCCC=O MCULE-1664130148 [1,1,0,0,0,0|0,0,2]=4 1583 B6R0.6 CCSCCC=O MCULE-2493452950 [1,1,0,0,0,0|0,0,2]=4 1584 B6R0.6 COCCCC=O MCULE-2055914202 [1,1,0,0,0,0|0,0,2]=4 1585 B6R0.6 COCCNC=O MCULE-9003279073 [1,1,0,0,0,0|1,0,1]=4 1586 B6R0.6 CSCCCC=O MCULE-6353729217 [1,1,0,0,0,0|0,0,2]=4 1587 B6R0.6 NCC=CCCN MCULE-5058870063 [1,1,0,0,0,0|1,0,1]=4 1588 B6R0.6 NCC=CCCN MCULE-6332692206 [1,1,0,0,0,0|1,0,1]=4 1589 B6R0.6 NCCCNC=O MCULE-9651299205 [1,1,0,0,0,0|1,0,1]=4 1590 B6R0.6 O=CC=CC=C[O-] MCULE-1735082795 [1,1,0,0,0,0|0,0,2]=4 1591 B6R0.6 O=CC=CC=C[O-] MCULE-1943976542 [1,1,0,0,0,0|0,0,2]=4 1592 B6R0.6 O=CCCCCCl MCULE-1257670284 [1,1,0,0,0,0|0,0,2]=4 1593 B6R0.6 O=CCCCCO MCULE-7959082228 [1,1,0,0,0,0|0,0,2]=4 1594 B6R0.6 O=CNCCCO MCULE-7926485528 [1,1,0,0,0,0|1,0,1]=4 1595 B6R0.8 C=CC(C)(O)CC MCULE-7004958709 [1,1,0,0,0,0|1,0,1]=4 1596 B6R0.8 CC(C)(C=O)CCl MCULE-4459822361 [1,1,0,0,0,0|1,0,1]=4 1597 B6R0.8 CC(C)(C=O)CF MCULE-7136604991 [1,1,0,0,0,0|1,0,1]=4 1598 B6R0.8 CC(C)(C=O)CI MCULE-4319040609 [1,1,0,0,0,0|1,0,1]=4 1599 B6R0.8 CC(C)(C=O)CO MCULE-9744921245 [1,1,0,0,0,0|1,0,1]=4 1600 B6R0.8 CCC(Br)(Br)C=O MCULE-5893364801 [1,1,0,0,0,0|1,0,1]=4 1601 B6R0.8 CCC(C)(C)C=O MCULE-4902007320 [1,1,0,0,0,0|0,0,1]=3 1602 B6R0.8 CSC(C)(C)C=O MCULE-7777472638 [1,1,0,0,0,0|1,0,1]=4 1603 B6R0.9 C/C=C(/C=O)\CC MCULE-4811305564 [1,1,0,0,0,0|0,0,0]=2 1604 B6R0.9 CC=C(C#N)CC MCULE-7873183675 [1,1,0,0,0,0|1,0,1]=4 1605 B6R0.9 CC=C(C=O)CC MCULE-3354209980 [1,1,0,0,0,0|0,0,0]=2 1606 B6R0.9 CC=C(CC)CC MCULE-5609717261 [1,1,0,0,0,0|1,0,0]=3 1607 B6R0.9 CCC(=CO)CC MCULE-4973169590 [1,1,0,0,0,0|0,0,1]=3 1608 B6R0.9 CCC(=CO)CC MCULE-8459100577 [1,1,0,0,0,0|0,0,1]=3 1609 B6R0.9 CCC(C=O)CC MCULE-3529464122 [1,1,0,0,0,0|0,0,1]=3 1610 B6R0.9 CCN(C=O)CC MCULE-9053231156 [1,1,0,0,0,0|1,0,0]=3 1611 B6R0.9 CCN(CC)N=O MCULE-8931177297 [1,1,0,0,0,0|2,0,0]=4 1612 B6R0.9 COC(C=O)OC MCULE-7354932286 [1,1,0,0,0,0|1,0,1]=4 1613 B6R0.9 N#CC(=CN)C=O MCULE-8372425513 [1,1,0,0,0,0|1,0,1]=4 1614 B8R0.2 CCC(=O)C(C)C(=O)O MCULE-9192813670 [0,2,0,0,0,0|0,0,1]=3 1615 B8R0.2 CCC(C)C(=O)C(=O)O MCULE-2376245949 [0,2,0,0,0,0|1,0,1]=4 1616 B8R0.2 CCC(C)C(=O)C(=O)[O-] MCULE-9099284149 [0,2,0,0,0,0|1,0,1]=4 1617 B8R0.2 CCC(C)C(C)C(=O)C MCULE-4030096724 [0,2,0,0,0,0|0,0,2]=4 1618 B8R0.2 CCC(C)C(C)C(=O)O MCULE-9360443230 [0,2,0,0,0,0|0,0,2]=4 1619 B8R0.2 CCC(O)C(C)C(=O)O MCULE-7278088016 [0,2,0,0,0,0|0,0,2]=4 1620 B8R0.2 CCN(C)C(C)C(=O)O MCULE-6064336068 [0,2,0,0,0,0|1,0,1]=4 1621 B8R0.2 CCN(C)[C@@H](C)C(=O)O MCULE-9158211664 [0,2,0,0,0,0|1,0,1]=4 1622 B8R0.2 COC(=O)C(C)C(=O)C MCULE-7473005493 [0,2,0,0,0,0|1,0,1]=4 1623 B8R0.2 COC(=O)C(C)C(=O)N MCULE-7480268767 [0,2,0,0,0,0|1,0,1]=4 1624 B8R0.2 COC(=O)C(C)C(=O)O MCULE-6548116408 [0,2,0,0,0,0|1,0,1]=4 1625 B8R0.5 C=C(CCC)CC(=O)O MCULE-5240115049 [0,2,0,0,0,0|0,0,2]=4 1626 B8R0.5 CC(=CC=O)CC(C)C MCULE-4061823977 [0,2,0,0,0,0|0,0,1]=3 1627 B8R0.5 CCC/C(=C/C(=O)O)/C MCULE-2055195599 [0,2,0,0,0,0|0,0,1]=3 1628 B8R0.5 CCCC(=CC(=O)O)C MCULE-9033187683 [0,2,0,0,0,0|0,0,1]=3 1629 B8R0.5 CCCC(=O)CC(=O)C MCULE-1126963023 [0,2,0,0,0,0|1,0,1]=4 1630 B8R0.5 CCCC(=O)CC(=O)O MCULE-8977313826 [0,2,0,0,0,0|1,0,1]=4 1631 B8R0.5 CCCC(C)CC(=O)C MCULE-7925360299 [0,2,0,0,0,0|0,0,2]=4 1632 B8R0.5 CCCC(C)CC(=O)O MCULE-6002154473 [0,2,0,0,0,0|0,0,2]=4 1633 B8R0.5 CCCC(C)OC(=O)C MCULE-2841775696 [0,2,0,0,0,0|0,0,2]=4 1634 B8R0.5 CCCC(C)OC(=O)Cl MCULE-8719460411 [0,2,0,0,0,0|0,0,2]=4 1635 B8R0.5 CCCC(C)OC(=O)N MCULE-5471819133 [0,2,0,0,0,0|0,0,2]=4 1636 B8R0.5 CCCN(C)CC(=O)O MCULE-2690950295 [0,2,0,0,0,0|1,0,1]=4 1637 B8R0.5 CCCN(C)CC(=O)O MCULE-9588106269 [0,2,0,0,0,0|1,0,1]=4 1638 B8R0.5 CCNC(=CC(=O)C)C MCULE-8804688598 [0,2,0,0,0,0|1,0,0]=3 1639 B8R0.5 CCNC(=O)CC(=O)O MCULE-6073095545 [0,2,0,0,0,0|2,0,0]=4 1640 B8R0.5 CCNC(C)CC(=O)O MCULE-2938286546 [0,2,0,0,0,0|1,0,1]=4 1641 B8R0.5 CCNC(C)CC(=O)O MCULE-4848873654 [0,2,0,0,0,0|1,0,1]=4 1642 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-7778274433 [0,2,0,0,0,0|2,0,0]=4 1643 B8R0.5 CCO/C(=C/C(=O)O)/N MCULE-8836710093 [0,2,0,0,0,0|2,0,0]=4 1644 B8R0.5 CCOC(=O)CC(=O)C MCULE-8615117086 [0,2,0,0,0,0|2,0,0]=4 1645 B8R0.5 CCOC(=O)CC(=O)Cl MCULE-2946486230 [0,2,0,0,0,0|2,0,0]=4 1646 B8R0.5 CCOC(=O)CC(=O)N MCULE-7799038725 [0,2,0,0,0,0|2,0,0]=4 1647 B8R0.5 CCOC(=O)CC(=O)O MCULE-9495505919 [0,2,0,0,0,0|2,0,0]=4 1648 B8R0.5 CCOC(=O)CC(=O)[O-] MCULE-6229774103 [0,2,0,0,0,0|2,0,0]=4 1649 B8R0.5 CCOC(=O)NC(=O)C MCULE-8711109897 [0,2,0,0,0,0|2,0,0]=4 1650 B8R0.5 CCOC(=O)NC(=O)N MCULE-7086796426 [0,2,0,0,0,0|2,0,0]=4 1651 B8R0.5 CCOC(C)SC(=O)C MCULE-7308480995 [0,2,0,0,0,0|1,0,1]=4 1652 B8R0.5 CCSC(C)CC(=O)O MCULE-9735540046 [0,2,0,0,0,0|1,0,1]=4 1653 B8R0.5 COCC(=CC(=O)O)C MCULE-7202220126 [0,2,0,0,0,0|1,0,1]=4 1654 B8R0.16 CCC(=CN(C)C)C=O MCULE-7562265801 [0,2,0,0,0,0|1,0,0]=3 1655 B8R0.16 CN(C)/C=C(/C#N)\C=O MCULE-2154083397 [0,2,0,0,0,0|1,0,1]=4 1656 B8R0.16 CN(C)C=C(C#N)C=O MCULE-8663870681 [0,2,0,0,0,0|1,0,1]=4 1657 B8R0.16 CO/C(=C/N(C)C)/C=O MCULE-7624417388 [0,2,0,0,0,0|1,0,0]=3 1658 B8R0.16 COC(=CN(C)C)C=O MCULE-9451220083 [0,2,0,0,0,0|1,0,0]=3 1659 B8R0.16 COC(C=O)CC(C)C MCULE-3050869989 [0,2,0,0,0,0|0,0,2]=4 1660 B8R0.19 COC(=O)C=C(C)C=O MCULE-8776671343 [0,2,0,0,0,0|0,0,1]=3 1661 B8R0.19 COC(=O)CC(C)C=O MCULE-1183479071 [0,2,0,0,0,0|1,0,1]=4 1662 B8R0.19 COC(=O)CN(C)C=O MCULE-9266775990 [0,2,0,0,0,0|2,0,0]=4 1663 B8R0.23 C/C(=C/C(=O)O)/C(=O)O MCULE-9648210920 [0,2,0,0,0,0|1,0,1]=4 1664 B8R0.23 C/C(=C\C(=O)O)/C(=O)O MCULE-1060050416 [0,2,0,0,0,0|1,0,1]=4 1665 B8R0.23 C/C(=C\C(C)C)/C(=O)O MCULE-7989780609 [0,2,0,0,0,0|0,0,0]=2 1666 B8R0.23 C=C(CC(C)C)C(=O)C MCULE-3118173847 [0,2,0,0,0,0|0,0,2]=4 1667 B8R0.23 C=C(CC(C)C)C(=O)O MCULE-5929811654 [0,2,0,0,0,0|0,0,2]=4 1668 B8R0.23 CC(=CC(=O)O)C(=O)O MCULE-9291663033 [0,2,0,0,0,0|1,0,1]=4 1669 B8R0.23 CC(=O)C(=CN(C)C)C MCULE-4886707148 [0,2,0,0,0,0|1,0,0]=3 1670 B8R0.23 CC(=O)C(=O)CC(C)C MCULE-9490612135 [0,2,0,0,0,0|1,0,1]=4 1671 B8R0.23 CC(=O)C(=O)OC(C)C MCULE-5022020155 [0,2,0,0,0,0|2,0,0]=4 1672 B8R0.23 CC(=O)C(C)CC(C)C MCULE-9956513410 [0,2,0,0,0,0|0,0,2]=4 1673 B8R0.23 CC(C)CC(=O)C(=O)O MCULE-4155006996 [0,2,0,0,0,0|1,0,1]=4 1674 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-1379368650 [0,2,0,0,0,0|1,0,1]=4 1675 B8R0.23 CC(C)CC(=O)C(=O)[O-] MCULE-8698784345 [0,2,0,0,0,0|1,0,1]=4 1676 B8R0.23 CC(C)CC(C)C(=O)O MCULE-7217536279 [0,2,0,0,0,0|0,0,2]=4 1677 B8R0.23 CC(C)CN(C)C(=O)Cl MCULE-8402254804 [0,2,0,0,0,0|1,0,1]=4 1678 B8R0.23 CC(C)NC(=O)C(=O)O MCULE-3351257571 [0,2,0,0,0,0|2,0,0]=4 1679 B8R0.23 CC(C)NC(C)C(=O)O MCULE-1412835872 [0,2,0,0,0,0|1,0,1]=4 1680 B8R0.23 CC(C)NC(C)C(=O)O MCULE-5184634957 [0,2,0,0,0,0|1,0,1]=4 1681 B8R0.23 CC(C)OC(C)C(=O)O MCULE-6571129429 [0,2,0,0,0,0|1,0,1]=4 1682 B8R0.23 CC(C)OC(C)C(=O)[O-] MCULE-2169564496 [0,2,0,0,0,0|1,0,1]=4 1683 B8R0.23 CC(C)SC(C)C(=O)O MCULE-1620493707 [0,2,0,0,0,0|1,0,1]=4 1684 B8R0.24 CC(C)(C)OC(=O)C=O MCULE-3379601471 [0,2,0,0,0,0|2,0,0]=4 1685 B8R0.24 CC(C=O)CC(C)(C)C MCULE-7924761915 [0,2,0,0,0,0|0,0,2]=4 1686 B8R0.24 O=C/C(=C/C(Cl)(Cl)Cl)/Cl MCULE-7672003235 [0,2,0,0,0,0|2,0,0]=4 1687 B8R0.24 O=CC(=CC(Cl)(Cl)Cl)Cl MCULE-1186143250 [0,2,0,0,0,0|2,0,0]=4 1688 B8R0.1 CCCC(C)COC=O MCULE-4206126891 [0,2,0,0,0,0|0,0,2]=4 1689 B8R0.1 CCNC(=S)NNC=O MCULE-8861789073 [0,2,0,0,0,0|2,0,0]=4 1690 B8R0.1 CCOC(=O)/C=C/C=O MCULE-9219622537 [0,2,0,0,0,0|2,0,0]=4 1691 B8R0.1 CCOC(=O)C=CC=O MCULE-7165096046 [0,2,0,0,0,0|2,0,0]=4 1692 B8R0.1 CCOC(=O)CCC=O MCULE-2891201608 [0,2,0,0,0,0|2,0,0]=4 1693 B8R0.1 CCOC(=O)CNC=O MCULE-7904243111 [0,2,0,0,0,0|2,0,0]=4 1694 B8R0.3 C/C=C(\C)/C(=O)OCC MCULE-1104279471 [0,2,0,0,0,0|1,0,0]=3 1695 B8R0.3 C=CC(=O)C(=O)OCC MCULE-1301231078 [0,2,0,0,0,0|2,0,0]=4 1696 B8R0.3 C=CC(C)C(=O)OCC MCULE-4071009556 [0,2,0,0,0,0|1,0,1]=4 1697 B8R0.3 CC=C(C)C(=O)OCC MCULE-1202888826 [0,2,0,0,0,0|1,0,0]=3 1698 B8R0.3 CCC=C(C)C(=O)OC MCULE-1695208139 [0,2,0,0,0,0|0,0,0]=2 1699 B8R0.3 CCCC(=O)C(=O)OC MCULE-5789275467 [0,2,0,0,0,0|1,0,1]=4 1700 B8R0.3 CCCC(C)C(=O)CC MCULE-9990200653 [0,2,0,0,0,0|0,0,2]=4 1701 B8R0.3 CCCC(C)C(=O)OC MCULE-6953134216 [0,2,0,0,0,0|0,0,2]=4 1702 B8R0.3 CCNC(=O)C(=O)NC MCULE-1033646355 [0,2,0,0,0,0|2,0,0]=4 1703 B8R0.3 CCNC(=O)C(=O)NN MCULE-6591789468 [0,2,0,0,0,0|2,0,0]=4 1704 B8R0.3 CCNC(C)C(=O)OC MCULE-3289750233 [0,2,0,0,0,0|1,0,1]=4 1705 B8R0.3 CCNC(C)C(=O)OC MCULE-6862987622 [0,2,0,0,0,0|1,0,1]=4 1706 B8R0.3 CCN[C@@H](C)C(=O)OC MCULE-5663920756 [0,2,0,0,0,0|1,0,1]=4 1707 B8R0.3 CCOC(=O)/C(=C/O)/Cl MCULE-5353637265 [0,2,0,0,0,0|1,0,1]=4 1708 B8R0.3 CCOC(=O)/C(=C/[O-])/Cl MCULE-1667116837 [0,2,0,0,0,0|1,0,1]=4 1709 B8R0.3 CCOC(=O)C(=NO)C MCULE-5698950336 [0,2,0,0,0,0|1,0,1]=4 1710 B8R0.3 CCOC(=O)C(=O)CBr MCULE-1292003261 [0,2,0,0,0,0|2,0,0]=4 1711 B8R0.3 CCOC(=O)C(=O)CC MCULE-6268795804 [0,2,0,0,0,0|2,0,0]=4 1712 B8R0.3 CCOC(=O)C(=O)NC MCULE-7000353340 [0,2,0,0,0,0|2,0,0]=4 1713 B8R0.3 CCOC(=O)C(=O)NN MCULE-2508041863 [0,2,0,0,0,0|2,0,0]=4 1714 B8R0.3 CCOC(=O)C(C)C=O MCULE-9226849500 [0,2,0,0,0,0|0,0,1]=3 1715 B8R0.3 CCOC(=O)C(Cl)C=O MCULE-7751421571 [0,2,0,0,0,0|1,0,1]=4 1716 B8R0.3 CCOC(=O)C([Na])C=O MCULE-2917644984 [0,2,0,0,0,0|1,0,1]=4 1717 B8R0.3 CCOC(=O)N(C)N=O MCULE-4955058570 [0,2,0,0,0,0|2,0,0]=4 1718 B8R0.3 CCOC(=O)[C-](Cl)C=O MCULE-3360882583 [0,2,0,0,0,0|1,0,1]=4 1719 B8R0.3 CCOC(=O)[C-](Cl)C=O MCULE-7337267098 [0,2,0,0,0,0|1,0,1]=4 1720 B8R0.3 CCOC(C)C(=O)NN MCULE-1066133056 [0,2,0,0,0,0|1,0,1]=4 1721 B8R0.3 CCOC(C)C(=O)NN MCULE-9272616432 [0,2,0,0,0,0|1,0,1]=4 1722 B8R0.3 CCON(C)C(=O)CN MCULE-5915406823 [0,2,0,0,0,0|2,0,0]=4 1723 B8R0.3 CCON(C)C(=O)CN MCULE-6850903466 [0,2,0,0,0,0|2,0,0]=4 1724 B8R0.3 CO/C=C(\I)/C(=O)OC MCULE-2050459356 [0,2,0,0,0,0|2,0,0]=4 1725 B8R0.3 COC(=O)C(=CCCl)C MCULE-4648119495 [0,2,0,0,0,0|1,0,0]=3 1726 B8R0.3 COC(=O)C(=CCO)C MCULE-7930614060 [0,2,0,0,0,0|1,0,0]=3 1727 B8R0.3 COC(=O)C(C)NC=O MCULE-7583002028 [0,2,0,0,0,0|1,0,1]=4 1728 B8R0.3 COC(=O)[C@H](C)NC=O MCULE-3891029916 [0,2,0,0,0,0|1,0,1]=4 1729 B8R0.3 COC(=O)[C@H](C)NC=O MCULE-5938491065 [0,2,0,0,0,0|1,0,1]=4 1730 B8R0.3 COC=C(I)C(=O)OC MCULE-9702408627 [0,2,0,0,0,0|2,0,0]=4 1731 B8R0.6 CCCCOC(=O)C=O MCULE-1707513945 [0,2,0,0,0,0|1,0,1]=4 1732 B8R0.8 CC(CCCCl)C(=O)O MCULE-6504631587 [0,2,0,0,0,0|0,0,2]=4 1733 B8R0.8 CC(OCCN)C(=O)O MCULE-4117277894 [0,2,0,0,0,0|1,0,1]=4 1734 B8R0.8 CC(OCCN)C(=O)O MCULE-6407651037 [0,2,0,0,0,0|1,0,1]=4 1735 B8R0.8 CC(OCCO)C(=O)O MCULE-4305620136 [0,2,0,0,0,0|1,0,1]=4 1736 B8R0.8 CCC/C=C(\C)/C(=O)O MCULE-4080682767 [0,2,0,0,0,0|0,0,0]=2 1737 B8R0.8 CCCC=C(C)C(=O)O MCULE-1072900673 [0,2,0,0,0,0|0,0,0]=2 1738 B8R0.8 CCCCC(=O)C(=O)C MCULE-5957201570 [0,2,0,0,0,0|1,0,1]=4 1739 B8R0.8 CCCCC(=O)C(=O)O MCULE-7796922508 [0,2,0,0,0,0|1,0,1]=4 1740 B8R0.8 CCCCC(=O)C(=O)[O-] MCULE-4575533706 [0,2,0,0,0,0|1,0,1]=4 1741 B8R0.8 CCCCC(C)C(=O)C MCULE-2303839464 [0,2,0,0,0,0|0,0,2]=4 1742 B8R0.8 CCCCC(C)C(=O)Cl MCULE-1718383314 [0,2,0,0,0,0|0,0,2]=4 1743 B8R0.8 CCCCC(C)C(=O)N MCULE-6062124512 [0,2,0,0,0,0|0,0,2]=4 1744 B8R0.8 CCCCC(C)C(=O)O MCULE-7933263354 [0,2,0,0,0,0|0,0,2]=4 1745 B8R0.8 CCCCN(C)C(=O)Cl MCULE-6884962631 [0,2,0,0,0,0|1,0,1]=4 1746 B8R0.8 CCCC[C@@H](C)C(=O)O MCULE-3454696473 [0,2,0,0,0,0|0,0,2]=4 1747 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9016844851 [0,2,0,0,0,0|0,0,2]=4 1748 B8R0.8 CCCC[C@H](C)C(=O)O MCULE-9437190196 [0,2,0,0,0,0|0,0,2]=4 1749 B8R0.8 CCCNC(=O)C(=O)O MCULE-6074987864 [0,2,0,0,0,0|1,0,1]=4 1750 B8R0.8 CCCOC(C)C(=O)O MCULE-4477829415 [0,2,0,0,0,0|0,0,2]=4 1751 B8R0.8 CCNCC(C)C(=O)O MCULE-3863191122 [0,2,0,0,0,0|0,0,2]=4 1752 B8R0.8 CCNCC(C)C(=O)O MCULE-4164323563 [0,2,0,0,0,0|0,0,2]=4 1753 B8R0.8 CCOCC(C)C(=O)O MCULE-5346959026 [0,2,0,0,0,0|0,0,2]=4 1754 B8R0.8 CNCCN(C)C(=O)C MCULE-7429681700 [0,2,0,0,0,0|1,0,1]=4 1755 B8R0.8 COCCC(C)C(=O)O MCULE-5066180613 [0,2,0,0,0,0|0,0,2]=4 1756 B8R0.8 CSCCC(=O)C(=O)O MCULE-6752350933 [0,2,0,0,0,0|1,0,1]=4 1757 B8R0.8 CSCCC(=O)C(=O)[O-] MCULE-4931776455 [0,2,0,0,0,0|1,0,1]=4 1758 B8R0.9 C=CC(=CCC(=O)O)C MCULE-5960312667 [0,2,0,0,0,0|1,0,1]=4 1759 B8R0.9 CC(C)OC=C(Br)C=O MCULE-2335632403 [0,2,0,0,0,0|1,0,0]=3 1760 B8R0.9 CN(C)CCN(C)C=O MCULE-3548074867 [0,2,0,0,0,0|1,0,1]=4 1761 B8R0.11 CCC/C=C(/C=O)\CC MCULE-6598454196 [0,2,0,0,0,0|0,0,0]=2 1762 B8R0.11 CCCC=C(C=O)CC MCULE-9099763598 [0,2,0,0,0,0|0,0,0]=2 1763 B8R0.11 CCCC=C(CC)CO MCULE-5047095723 [0,2,0,0,0,0|0,0,2]=4 1764 B8R0.11 CCCCC(C=O)CC MCULE-1141216024 [0,2,0,0,0,0|0,0,2]=4 1765 B8R0.11 CCO/C=C(\C=O)/CC MCULE-4972624375 [0,2,0,0,0,0|0,0,0]=2 1766 B8R0.11 CCOC=C(C=O)CC MCULE-2067466903 [0,2,0,0,0,0|0,0,0]=2 1767 B8R0.25 CCCCC(C)(C)C=O MCULE-2890084431 [0,2,0,0,0,0|0,0,2]=4 1768 B8R0.12 CCCC(C)(C)C(=O)C MCULE-3472590451 [0,2,0,0,0,0|0,0,2]=4 1769 B8R0.12 CCCC(C)(C)C(=O)Cl MCULE-1035499713 [0,2,0,0,0,0|0,0,2]=4 1770 B8R0.12 CCCC(C)(C)C(=O)O MCULE-7950118630 [0,2,0,0,0,0|0,0,2]=4 1771 B8R0.12 CCCC(C)(N)C(=O)O MCULE-3079931045 [0,2,0,0,0,0|0,0,2]=4 1772 B8R0.12 CCCC(C)(O)C(=O)N MCULE-5398805490 [0,2,0,0,0,0|0,0,2]=4 1773 B8R0.12 CCCC(C)(O)C(=O)O MCULE-5292180056 [0,2,0,0,0,0|0,0,2]=4 1774 B8R0.12 CCC[C@](C)(N)C(=O)O MCULE-8569302783 [0,2,0,0,0,0|0,0,2]=4 1775 B8R0.12 CCNC(C)(C)C(=O)N MCULE-9687659825 [0,2,0,0,0,0|1,0,1]=4 1776 B8R0.12 CCNC(C)(C)C(=O)O MCULE-5196592202 [0,2,0,0,0,0|1,0,1]=4 1777 B8R0.12 CCNC(C)(C)C(=O)O MCULE-7185239447 [0,2,0,0,0,0|1,0,1]=4 1778 B8R0.12 CCOC(C)(C)C(=O)N MCULE-6728122742 [0,2,0,0,0,0|1,0,1]=4 1779 B8R0.12 CCOC(C)(C)C(=O)O MCULE-7344066576 [0,2,0,0,0,0|1,0,1]=4 1780 B8R0.15 CCCC(=NO)C(=O)N MCULE-4974052536 [0,2,0,0,0,0|1,0,1]=4 1781 B8R0.15 CCCC(CC)C(=O)C MCULE-3483794250 [0,2,0,0,0,0|0,0,2]=4 1782 B8R0.15 CCCC(CC)C(=O)O MCULE-2070546888 [0,2,0,0,0,0|0,0,2]=4 1783 B8R0.15 CCCC(CO)C(=O)O MCULE-2653026260 [0,2,0,0,0,0|0,0,2]=4 1784 B8R0.15 CCCC(NC)C(=O)O MCULE-5292420123 [0,2,0,0,0,0|0,0,2]=4 1785 B8R0.15 CCCC(NC)C(=O)O MCULE-5734283547 [0,2,0,0,0,0|0,0,2]=4 1786 B8R0.15 CCCC(NC)C(=O)O MCULE-9559460593 [0,2,0,0,0,0|0,0,2]=4 1787 B8R0.15 CCCC(OC)C(=O)O MCULE-6875744280 [0,2,0,0,0,0|0,0,2]=4 1788 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-3394704356 [0,2,0,0,0,0|0,0,2]=4 1789 B8R0.15 CCC[C@@H](NC)C(=O)O MCULE-8140893147 [0,2,0,0,0,0|0,0,2]=4 1790 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-1805025355 [0,2,0,0,0,0|0,0,2]=4 1791 B8R0.15 CCC[C@H](CO)C(=O)O MCULE-3449491143 [0,2,0,0,0,0|0,0,2]=4 1792 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-1028689544 [0,2,0,0,0,0|0,0,2]=4 1793 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-4848752673 [0,2,0,0,0,0|0,0,2]=4 1794 B8R0.15 CCC[C@H](NC)C(=O)O MCULE-5585839502 [0,2,0,0,0,0|0,0,2]=4 1795 B8R0.15 CCOC(CBr)C(=O)O MCULE-5345866284 [0,2,0,0,0,0|1,0,1]=4 1796 B8R0.15 CCOC(CC)C(=O)N MCULE-8093014638 [0,2,0,0,0,0|1,0,1]=4 1797 B8R0.15 CCOC(CC)C(=O)O MCULE-1674742787 [0,2,0,0,0,0|1,0,1]=4 1798 B8R0.22 CCCC(C=O)CCC MCULE-6309806380 [0,2,0,0,0,0|0,0,2]=4 1799 B8R0.22 CCCN(C=O)CCC MCULE-8028235265 [0,2,0,0,0,0|1,0,1]=4 1800 B8R0.22 CCSC(C=O)SCC MCULE-8444076277 [0,2,0,0,0,0|1,0,1]=4 1801 B8R0.13 CCC(=O)C(C)(C)C=O MCULE-5099137419 [0,2,0,0,0,0|0,0,1]=3 1802 B8R0.13 COC(=O)C(C)(C)C=O MCULE-7831259608 [0,2,0,0,0,0|1,0,1]=4 1803 B8R0.20 CCC(C)C(C=O)OC MCULE-5091212843 [0,2,0,0,0,0|0,0,2]=4 1804 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [1,0,0,1,0,0|1,0,0]=3 1805 B6R1.2 BrC1=COCC1 MCULE-8057569313 [1,0,0,1,0,0|2,0,0]=4 1806 B6R1.2 C=C1CCCC1 MCULE-4115373196 [1,0,0,1,0,0|0,0,1]=3 1807 B6R1.2 C=C1CCNC1 MCULE-7982953073 [1,0,0,1,0,0|1,0,1]=4 1808 B6R1.2 C=C1CCNC1 MCULE-8428731599 [1,0,0,1,0,0|1,0,1]=4 1809 B6R1.2 C=C1CCSC1 MCULE-7042571473 [1,0,0,1,0,0|1,0,1]=4 1810 B6R1.2 CC1=CCCC1 MCULE-8508688474 [1,0,0,1,0,0|0,0,1]=3 1811 B6R1.2 CC1=CCCO1 MCULE-7276659214 [1,0,0,1,0,0|0,0,1]=3 1812 B6R1.2 CC1=CCNC1 MCULE-5892113847 [1,0,0,1,0,0|1,0,1]=4 1813 B6R1.2 CC1=CCNC1 MCULE-9225220351 [1,0,0,1,0,0|1,0,1]=4 1814 B6R1.2 CC1=CNC=C1 MCULE-9114555776 [1,0,0,1,0,0|1,0,1]=4 1815 B6R1.2 CC1=CNN=C1 MCULE-2732751720 [1,0,0,1,0,0|2,0,0]=4 1816 B6R1.2 CC1=CNN=C1 MCULE-3538959589 [1,0,0,1,0,0|2,0,0]=4 1817 B6R1.2 CC1=COC=C1 MCULE-1597223627 [1,0,0,1,0,0|1,0,1]=4 1818 B6R1.2 CC1=CON=C1 MCULE-4312100714 [1,0,0,1,0,0|2,0,0]=4 1819 B6R1.2 CC1=CSC=C1 MCULE-1408158529 [1,0,0,1,0,0|1,0,1]=4 1820 B6R1.2 CC1=CSN=C1 MCULE-2603580928 [1,0,0,1,0,0|2,0,0]=4 1821 B6R1.2 CC1=NCCC1 MCULE-5009170423 [1,0,0,1,0,0|1,0,1]=4 1822 B6R1.2 CC1=NCCN1 MCULE-4787238872 [1,0,0,1,0,0|2,0,0]=4 1823 B6R1.2 CC1=NCCO1 MCULE-8564633040 [1,0,0,1,0,0|1,0,1]=4 1824 B6R1.2 CC1=NCCS1 MCULE-1701303405 [1,0,0,1,0,0|1,1,0]=4 1825 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [1,0,0,1,0,0|1,0,0]=3 1826 B6R1.2 IC1=CCCC1 MCULE-5953451970 [1,0,0,1,0,0|1,0,0]=3 1827 B6R1.2 IC1=COCC1 MCULE-3076361502 [1,0,0,1,0,0|2,0,0]=4 1828 B6R1.2 N=C1CCCS1 MCULE-4228855265 [1,0,0,1,0,0|2,0,0]=4 1829 B6R1.2 N=C1CCCS1 MCULE-7496124035 [1,0,0,1,0,0|2,0,0]=4 1830 B6R1.2 NC1=NCCC1 MCULE-6089369366 [1,0,0,1,0,0|2,0,0]=4 1831 B6R1.2 NC1=NCCC1 MCULE-8979618464 [1,0,0,1,0,0|2,0,0]=4 1832 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [1,0,0,1,0,0|0,0,1]=3 1833 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [1,0,0,1,0,0|1,0,1]=4 1834 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [1,0,0,1,0,0|1,0,1]=4 1835 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [1,0,0,1,0,0|1,0,1]=4 1836 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [1,0,0,1,0,0|1,0,1]=4 1837 B6R1.2 O=C1CCCC1 MCULE-9455227735 [1,0,0,1,0,0|0,0,1]=3 1838 B6R1.2 O=C1CCCN1 MCULE-3061780794 [1,0,0,1,0,0|1,0,0]=3 1839 B6R1.2 O=C1CCCO1 MCULE-6795890265 [1,0,0,1,0,0|1,0,0]=3 1840 B6R1.2 O=C1CCCS1 MCULE-5361654550 [1,0,0,1,0,0|1,0,0]=3 1841 B6R1.2 O=C1CCNC1 MCULE-2947789259 [1,0,0,1,0,0|1,0,1]=4 1842 B6R1.2 O=C1CCNC1 MCULE-7192595052 [1,0,0,1,0,0|1,0,1]=4 1843 B6R1.2 O=C1CCNN1 MCULE-7030953666 [1,0,0,1,0,0|2,0,0]=4 1844 B6R1.2 O=C1CCOC1 MCULE-2031733910 [1,0,0,1,0,0|1,0,1]=4 1845 B6R1.2 O=C1CCON1 MCULE-6799359324 [1,0,0,1,0,0|2,0,0]=4 1846 B6R1.2 O=C1CCSC1 MCULE-2059655624 [1,0,0,1,0,0|1,0,1]=4 1847 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [1,0,0,1,0,0|2,0,0]=4 1848 B6R1.2 O=C1CNCN1 MCULE-2645891847 [1,0,0,1,0,0|2,0,0]=4 1849 B6R1.2 O=C1CNCN1 MCULE-9269137129 [1,0,0,1,0,0|2,0,0]=4 1850 B6R1.2 O=C1CSCN1 MCULE-3946660854 [1,0,0,1,0,0|2,0,0]=4 1851 B6R1.2 O=C1NCCN1 MCULE-9806791551 [1,0,0,1,0,0|2,0,0]=4 1852 B6R1.2 O=C1NCCO1 MCULE-3934923008 [1,0,0,1,0,0|2,0,0]=4 1853 B6R1.2 O=C1NCCS1 MCULE-6732478086 [1,0,0,1,0,0|2,0,0]=4 1854 B6R1.2 O=C1OCCO1 MCULE-9493253045 [1,0,0,1,0,0|2,0,0]=4 1855 B6R1.2 O=S1CCCC1 MCULE-2442126780 [1,0,0,1,0,0|1,0,1]=4 1856 B6R1.2 S=C1CCCN1 MCULE-1089290822 [1,0,0,1,0,0|1,1,0]=4 1857 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [1,0,0,1,0,0|1,0,1]=4 1858 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [1,0,0,1,0,0|1,0,1]=4 1859 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [1,0,0,1,0,0|0,0,1]=3 1860 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [1,0,0,1,0,0|1,0,0]=3 1861 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [1,0,0,1,0,0|1,0,0]=3 1862 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [1,0,0,1,0,0|1,0,1]=4 1863 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [1,0,0,1,0,0|1,0,1]=4 1864 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [1,0,0,1,0,0|1,0,0]=3 1865 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [1,0,0,1,0,0|1,0,1]=4 1866 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [1,0,0,1,0,0|1,0,1]=4 1867 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [1,0,0,1,0,0|1,0,1]=4 1868 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [1,0,0,1,0,0|1,0,1]=4 1869 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [1,0,0,1,0,0|1,0,1]=4 1870 B6R1.8 C=C1CC1CO MCULE-4338601055 [1,0,0,1,0,0|1,0,1]=4 1871 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [1,0,0,1,0,0|1,0,1]=4 1872 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [1,0,0,1,0,0|0,0,1]=3 1873 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [1,0,0,1,0,0|1,0,1]=4 1874 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [1,0,0,1,0,0|1,0,1]=4 1875 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [1,0,0,1,0,0|1,0,1]=4 1876 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [1,0,0,1,0,0|1,0,1]=4 1877 B6R1.1 C1=CCCC=C1 MCULE-9111393952 [1,0,0,1,0,0|1,0,0]=3 1878 B6R1.1 C1=CCCCC1 MCULE-3564016252 [1,0,0,1,0,0|1,0,1]=4 1879 B6R1.1 C1=CCNCC1 MCULE-4850984502 [1,0,0,1,0,0|1,0,1]=4 1880 B6R1.1 C1=CCNCC1 MCULE-9744767398 [1,0,0,1,0,0|1,0,1]=4 1881 B6R1.1 C1=CCOCC1 MCULE-7723901693 [1,0,0,1,0,0|0,0,2]=4 1882 B6R1.1 C1=COCCC1 MCULE-1260841717 [1,0,0,1,0,0|0,0,2]=4 1883 B6R1.1 C1=COCCO1 MCULE-2562788031 [1,0,0,1,0,0|1,0,1]=4 1884 B6R1.4 CC1CCC1=O MCULE-4548181715 [1,0,0,1,0,0|0,0,2]=4 1885 B6R1.4 CC1CNC1=O MCULE-5523309752 [1,0,0,1,0,0|1,0,1]=4 1886 B6R1.4 CC1COC1=O MCULE-9711165188 [1,0,0,1,0,0|1,0,1]=4 1887 B6R1.4 CC1OCC1=O MCULE-7718609686 [1,0,0,1,0,0|1,0,1]=4 1888 B6R1.6 O=CC1CCC1 MCULE-8678026416 [1,0,0,1,0,0|0,0,2]=4 1889 B6R1.7 CC1(CC1)C=O MCULE-3651219428 [1,0,0,1,0,0|0,0,1]=3 1890 B6R1.7 O=CC1(CC1)F MCULE-5455667660 [1,0,0,1,0,0|1,0,1]=4 1891 B8R1.1 CC1=CC(=CO1)CN MCULE-1388884705 [0,1,0,1,0,0|0,0,2]=4 1892 B8R1.1 CC1=CC(=CO1)CO MCULE-3987239184 [0,1,0,1,0,0|0,0,2]=4 1893 B8R1.1 CC1=CC(=CS1)C=O MCULE-4654357481 [0,1,0,1,0,0|0,0,2]=4 1894 B8R1.1 CC1=CC(=CS1)CCl MCULE-6498600471 [0,1,0,1,0,0|0,1,1]=4 1895 B8R1.1 CC1=CC(=CS1)CN MCULE-1660403633 [0,1,0,1,0,0|0,1,1]=4 1896 B8R1.1 CC1=CC(=CS1)CO MCULE-8945003844 [0,1,0,1,0,0|0,1,1]=4 1897 B8R1.1 CC1=CC(=CS1)CS MCULE-5106482427 [0,1,0,1,0,0|0,1,1]=4 1898 B8R1.1 CC1=CC(=NO1)C=O MCULE-7191377585 [0,1,0,1,0,0|1,0,1]=4 1899 B8R1.1 CC1=CC(=NS1)C=O MCULE-3138385252 [0,1,0,1,0,0|1,0,1]=4 1900 B8R1.1 CC1=CC=C(N1)C=O MCULE-5354578462 [0,1,0,1,0,0|1,0,1]=4 1901 B8R1.1 CC1=CC=C(O1)C=O MCULE-8936450429 [0,1,0,1,0,0|1,0,1]=4 1902 B8R1.1 CC1=CC=C(O1)CN MCULE-4910323936 [0,1,0,1,0,0|2,0,0]=4 1903 B8R1.1 CC1=CC=C(O1)CO MCULE-6432692687 [0,1,0,1,0,0|2,0,0]=4 1904 B8R1.1 CC1=CC=C(O1)CS MCULE-1214637321 [0,1,0,1,0,0|2,0,0]=4 1905 B8R1.1 CC1=CC=C(S1)C=O MCULE-5958342819 [0,1,0,1,0,0|1,0,1]=4 1906 B8R1.1 CC1=CC=C(S1)CCl MCULE-6705689730 [0,1,0,1,0,0|2,0,0]=4 1907 B8R1.1 CC1=CC=C(S1)CN MCULE-3552465764 [0,1,0,1,0,0|2,0,0]=4 1908 B8R1.1 CC1=CC=C(S1)CN MCULE-6130519865 [0,1,0,1,0,0|2,0,0]=4 1909 B8R1.1 CC1=CC=C(S1)CO MCULE-9602550840 [0,1,0,1,0,0|2,0,0]=4 1910 B8R1.1 CC1=CC=C(S1)CS MCULE-2712253511 [0,1,0,1,0,0|2,0,0]=4 1911 B8R1.1 CC1=CN(N=C1)CCl MCULE-3560133746 [0,1,0,1,0,0|2,0,0]=4 1912 B8R1.1 CC1=CN(N=C1)CCl MCULE-9374230891 [0,1,0,1,0,0|2,0,0]=4 1913 B8R1.1 CC1=CN(N=C1)CO MCULE-2512067792 [0,1,0,1,0,0|2,0,0]=4 1914 B8R1.1 CC1=CN=C(N1)CN MCULE-6288704075 [0,1,0,1,0,0|2,0,0]=4 1915 B8R1.1 CC1=CN=C(O1)C=O MCULE-7319634106 [0,1,0,1,0,0|1,0,1]=4 1916 B8R1.1 CC1=CN=C(O1)CBr MCULE-4045813059 [0,1,0,1,0,0|2,0,0]=4 1917 B8R1.1 CC1=CN=C(O1)CCl MCULE-2180679544 [0,1,0,1,0,0|2,0,0]=4 1918 B8R1.1 CC1=CN=C(O1)CN MCULE-2332980863 [0,1,0,1,0,0|2,0,0]=4 1919 B8R1.1 CC1=CN=C(O1)CN MCULE-9346100441 [0,1,0,1,0,0|2,0,0]=4 1920 B8R1.1 CC1=CN=C(O1)CO MCULE-3291014315 [0,1,0,1,0,0|2,0,0]=4 1921 B8R1.1 CC1=CN=C(S1)C=O MCULE-3699802703 [0,1,0,1,0,0|1,0,1]=4 1922 B8R1.1 CC1=CN=C(S1)CCl MCULE-3471224077 [0,1,0,1,0,0|2,0,0]=4 1923 B8R1.1 CC1=CN=C(S1)CCl MCULE-7952419469 [0,1,0,1,0,0|2,0,0]=4 1924 B8R1.1 CC1=CN=C(S1)CN MCULE-1683050488 [0,1,0,1,0,0|2,0,0]=4 1925 B8R1.1 CC1=CN=C(S1)CN MCULE-6287220694 [0,1,0,1,0,0|2,0,0]=4 1926 B8R1.1 CC1=CN=C(S1)CO MCULE-6371385016 [0,1,0,1,0,0|2,0,0]=4 1927 B8R1.1 CC1=CNC(=C1)C=O MCULE-3466629196 [0,1,0,1,0,0|0,0,2]=4 1928 B8R1.1 CC1=CNC(=C1)CO MCULE-7101109021 [0,1,0,1,0,0|1,0,1]=4 1929 B8R1.1 CC1=CNC(=N1)C=O MCULE-2371549373 [0,1,0,1,0,0|1,0,1]=4 1930 B8R1.1 CC1=CNC(=N1)CCl MCULE-1277389595 [0,1,0,1,0,0|2,0,0]=4 1931 B8R1.1 CC1=CNC(=N1)CCl MCULE-3814500291 [0,1,0,1,0,0|2,0,0]=4 1932 B8R1.1 CC1=CNC(=N1)CN MCULE-3505749034 [0,1,0,1,0,0|2,0,0]=4 1933 B8R1.1 CC1=CNC(=N1)CO MCULE-3038364221 [0,1,0,1,0,0|2,0,0]=4 1934 B8R1.1 CC1=CNC(=N1)CO MCULE-5330165326 [0,1,0,1,0,0|2,0,0]=4 1935 B8R1.1 CC1=COC(=C1)C=O MCULE-9840055188 [0,1,0,1,0,0|0,0,2]=4 1936 B8R1.1 CC1=COC(=C1)CN MCULE-9366711064 [0,1,0,1,0,0|0,0,2]=4 1937 B8R1.1 CC1=COC(=C1)CO MCULE-9819901122 [0,1,0,1,0,0|0,0,2]=4 1938 B8R1.1 CC1=COC(=N1)C=O MCULE-2083695470 [0,1,0,1,0,0|1,0,1]=4 1939 B8R1.1 CC1=COC(=N1)CN MCULE-9154500205 [0,1,0,1,0,0|1,0,1]=4 1940 B8R1.1 CC1=COC(=N1)CN MCULE-9195595305 [0,1,0,1,0,0|1,0,1]=4 1941 B8R1.1 CC1=CSC(=C1)C=O MCULE-8905758235 [0,1,0,1,0,0|0,0,2]=4 1942 B8R1.1 CC1=CSC(=C1)CCl MCULE-7500346218 [0,1,0,1,0,0|0,1,1]=4 1943 B8R1.1 CC1=CSC(=C1)CN MCULE-1659315563 [0,1,0,1,0,0|0,1,1]=4 1944 B8R1.1 CC1=CSC(=C1)CN MCULE-8106495947 [0,1,0,1,0,0|0,1,1]=4 1945 B8R1.1 CC1=CSC(=C1)CO MCULE-9958978862 [0,1,0,1,0,0|0,1,1]=4 1946 B8R1.1 CC1=CSC(=N1)C=O MCULE-1780760080 [0,1,0,1,0,0|1,0,1]=4 1947 B8R1.1 CC1=CSC(=N1)CBr MCULE-7975777038 [0,1,0,1,0,0|1,1,0]=4 1948 B8R1.1 CC1=CSC(=N1)CCl MCULE-2074854046 [0,1,0,1,0,0|1,1,0]=4 1949 B8R1.1 CC1=CSC(=N1)CCl MCULE-8191779088 [0,1,0,1,0,0|1,1,0]=4 1950 B8R1.1 CC1=CSC(=N1)CN MCULE-2036507490 [0,1,0,1,0,0|1,1,0]=4 1951 B8R1.1 CC1=CSC(=N1)CN MCULE-3717260212 [0,1,0,1,0,0|1,1,0]=4 1952 B8R1.1 CC1=CSC(=N1)CN MCULE-9623326508 [0,1,0,1,0,0|1,1,0]=4 1953 B8R1.1 CC1=CSC(=N1)CO MCULE-4553999642 [0,1,0,1,0,0|1,1,0]=4 1954 B8R1.1 CC1=CSC(=N1)CO MCULE-5222977196 [0,1,0,1,0,0|1,1,0]=4 1955 B8R1.1 CC1=NC(=CN1)C=O MCULE-7054645578 [0,1,0,1,0,0|1,0,1]=4 1956 B8R1.1 CC1=NC(=CO1)C=O MCULE-9583599478 [0,1,0,1,0,0|1,0,1]=4 1957 B8R1.1 CC1=NC(=CS1)C=O MCULE-6590710454 [0,1,0,1,0,0|1,0,1]=4 1958 B8R1.1 CC1=NC=C(O1)C=O MCULE-1917920554 [0,1,0,1,0,0|1,0,1]=4 1959 B8R1.1 CC1=NC=C(S1)C=O MCULE-9484469063 [0,1,0,1,0,0|1,0,1]=4 1960 B8R1.1 CC1=NNC(=C1)C=O MCULE-8923372806 [0,1,0,1,0,0|1,0,1]=4 1961 B8R1.1 CC1=NOC(=C1)C=O MCULE-1834049159 [0,1,0,1,0,0|1,0,1]=4 1962 B8R1.1 CC1=NSC(=C1)C=O MCULE-5196335862 [0,1,0,1,0,0|1,0,1]=4 1963 B8R1.1 CC1CCC(C1)C=O MCULE-9381232427 [0,1,0,1,0,0|0,0,2]=4 1964 B8R1.1 CCC1=CC(=CO1)N MCULE-7306991601 [0,1,0,1,0,0|1,0,1]=4 1965 B8R1.1 CCC1=CC(=CS1)Br MCULE-3167392183 [0,1,0,1,0,0|1,1,0]=4 1966 B8R1.1 CCC1=CC=C(O1)C MCULE-5132828893 [0,1,0,1,0,0|1,0,0]=3 1967 B8R1.1 CCC1=CC=C(S1)Br MCULE-9088559964 [0,1,0,1,0,0|2,0,0]=4 1968 B8R1.1 CCC1=CC=C(S1)C MCULE-1525253222 [0,1,0,1,0,0|1,0,0]=3 1969 B8R1.1 CCC1=CC=C(S1)I MCULE-5549058766 [0,1,0,1,0,0|2,0,0]=4 1970 B8R1.1 CCC1=CC=C(S1)O MCULE-9558994100 [0,1,0,1,0,0|2,0,0]=4 1971 B8R1.1 CCC1=CC=C(S1)S MCULE-3620116528 [0,1,0,1,0,0|2,0,0]=4 1972 B8R1.1 CCC1=CNC(=N1)C MCULE-8962137346 [0,1,0,1,0,0|2,0,0]=4 1973 B8R1.1 CCC1=NC(=CN1)Br MCULE-5495890551 [0,1,0,1,0,0|2,0,0]=4 1974 B8R1.1 CCC1=NC(=CN1)C MCULE-2948768112 [0,1,0,1,0,0|1,0,0]=3 1975 B8R1.1 CCC1=NC(=CN1)C MCULE-8894571431 [0,1,0,1,0,0|1,0,0]=3 1976 B8R1.1 CCC1=NC(=CS1)Br MCULE-6777416914 [0,1,0,1,0,0|1,1,0]=4 1977 B8R1.1 CCC1=NC(=CS1)C MCULE-3079802855 [0,1,0,1,0,0|0,1,0]=3 1978 B8R1.1 CCC1=NC=C(N1)Cl MCULE-1459392612 [0,1,0,1,0,0|2,0,0]=4 1979 B8R1.1 CCC1=NC=C(N1)I MCULE-1056277792 [0,1,0,1,0,0|2,0,0]=4 1980 B8R1.1 CCC1=NC=C(O1)Br MCULE-2089503382 [0,1,0,1,0,0|2,0,0]=4 1981 B8R1.1 CCC1=NC=C(S1)Br MCULE-1791110831 [0,1,0,1,0,0|2,0,0]=4 1982 B8R1.1 CCC1=NC=C(S1)Br MCULE-2372724303 [0,1,0,1,0,0|2,0,0]=4 1983 B8R1.1 CCC1=NC=C(S1)N MCULE-8857218915 [0,1,0,1,0,0|2,0,0]=4 1984 B8R1.1 CCC1=NN(C=C1)C MCULE-2715674403 [0,1,0,1,0,0|2,0,0]=4 1985 B8R1.1 CCC1=NNC(=C1)C MCULE-4890516961 [0,1,0,1,0,0|2,0,0]=4 1986 B8R1.1 CCN1C=C(C=N1)Br MCULE-3362122584 [0,1,0,1,0,0|2,0,0]=4 1987 B8R1.1 CCN1C=C(C=N1)C MCULE-9142546616 [0,1,0,1,0,0|1,0,0]=3 1988 B8R1.1 CCN1C=C(C=N1)Cl MCULE-3183706436 [0,1,0,1,0,0|2,0,0]=4 1989 B8R1.1 CCN1C=C(C=N1)I MCULE-2750653892 [0,1,0,1,0,0|2,0,0]=4 1990 B8R1.1 CCN1C=C(C=N1)N MCULE-2845120023 [0,1,0,1,0,0|2,0,0]=4 1991 B8R1.1 CCN1C=C(C=N1)N MCULE-6898982950 [0,1,0,1,0,0|2,0,0]=4 1992 B8R1.1 CCN1C=C(C=N1)N MCULE-8630690406 [0,1,0,1,0,0|2,0,0]=4 1993 B8R1.1 CCN1C=C(C=N1)O MCULE-7680949966 [0,1,0,1,0,0|2,0,0]=4 1994 B8R1.1 CCN1C=C(C=N1)S MCULE-2517021070 [0,1,0,1,0,0|2,0,0]=4 1995 B8R1.1 CCN1C=CC(=N1)C MCULE-7711852369 [0,1,0,1,0,0|2,0,0]=4 1996 B8R1.1 CCN1C=C[N+](=C1)C MCULE-1518535792 [0,1,0,1,0,0|2,0,0]=4 1997 B8R1.1 CCN1C=C[N+](=C1)C MCULE-1566204861 [0,1,0,1,0,0|2,0,0]=4 1998 B8R1.1 CCN1C=C[N+](=C1)C MCULE-1582445372 [0,1,0,1,0,0|2,0,0]=4 1999 B8R1.1 CCN1C=C[N+](=C1)C MCULE-1607245203 [0,1,0,1,0,0|2,0,0]=4 2000 B8R1.1 CCN1C=C[N+](=C1)C MCULE-3121720910 [0,1,0,1,0,0|2,0,0]=4 2001 B8R1.1 CCN1C=C[N+](=C1)C MCULE-4915896182 [0,1,0,1,0,0|2,0,0]=4 2002 B8R1.1 CCN1C=C[N+](=C1)C MCULE-5721058775 [0,1,0,1,0,0|2,0,0]=4 2003 B8R1.1 CCN1C=C[N+](=C1)C MCULE-7909007247 [0,1,0,1,0,0|2,0,0]=4 2004 B8R1.1 CCN1C=C[N+](=C1)C MCULE-8311400738 [0,1,0,1,0,0|2,0,0]=4 2005 B8R1.1 CCN1C=C[N+](=C1)C MCULE-9216279297 [0,1,0,1,0,0|2,0,0]=4 2006 B8R1.1 CCN1C=C[N+](=C1)C MCULE-9991766028 [0,1,0,1,0,0|2,0,0]=4 2007 B8R1.1 CCN1C=NC(=C1)C MCULE-7258380977 [0,1,0,1,0,0|2,0,0]=4 2008 B8R1.1 CC[N+]1=CN(C=C1)C MCULE-3518659511 [0,1,0,1,0,0|2,0,0]=4 2009 B8R1.1 CC[N+]1=CN(C=C1)C MCULE-4598322259 [0,1,0,1,0,0|2,0,0]=4 2010 B8R1.1 CC[N+]1=CN(C=C1)C MCULE-5828166765 [0,1,0,1,0,0|2,0,0]=4 2011 B8R1.1 CC[N+]1=CN(C=C1)C MCULE-7064409844 [0,1,0,1,0,0|2,0,0]=4 2012 B8R1.1 CC[N+]1=CN(C=C1)C MCULE-9919531191 [0,1,0,1,0,0|2,0,0]=4 2013 B8R1.1 CN1C=C(C=N1)C=O MCULE-9367348547 [0,1,0,1,0,0|1,0,1]=4 2014 B8R1.1 CN1C=C(C=N1)CBr MCULE-3970966462 [0,1,0,1,0,0|2,0,0]=4 2015 B8R1.1 CN1C=C(C=N1)CBr MCULE-5050767615 [0,1,0,1,0,0|2,0,0]=4 2016 B8R1.1 CN1C=C(C=N1)CCl MCULE-5398255993 [0,1,0,1,0,0|2,0,0]=4 2017 B8R1.1 CN1C=C(C=N1)CCl MCULE-9722792376 [0,1,0,1,0,0|2,0,0]=4 2018 B8R1.1 CN1C=C(C=N1)CN MCULE-2268712025 [0,1,0,1,0,0|2,0,0]=4 2019 B8R1.1 CN1C=C(C=N1)CN MCULE-3460357407 [0,1,0,1,0,0|2,0,0]=4 2020 B8R1.1 CN1C=C(C=N1)CN MCULE-6051862975 [0,1,0,1,0,0|2,0,0]=4 2021 B8R1.1 CN1C=C(C=N1)CO MCULE-5787125938 [0,1,0,1,0,0|2,0,0]=4 2022 B8R1.1 CN1C=C(C=N1)CS MCULE-6588285384 [0,1,0,1,0,0|2,0,0]=4 2023 B8R1.1 CN1C=C(N=N1)C=O MCULE-8728589225 [0,1,0,1,0,0|2,0,0]=4 2024 B8R1.1 CN1C=CC(=C1)C=O MCULE-3196849957 [0,1,0,1,0,0|0,0,2]=4 2025 B8R1.1 CN1C=CC(=C1)CN MCULE-6052025237 [0,1,0,1,0,0|2,0,0]=4 2026 B8R1.1 CN1C=CC(=C1)CO MCULE-3776279548 [0,1,0,1,0,0|2,0,0]=4 2027 B8R1.1 CN1C=CC(=N1)C=O MCULE-9758898516 [0,1,0,1,0,0|1,0,1]=4 2028 B8R1.1 CN1C=NC(=C1)C=O MCULE-1440199869 [0,1,0,1,0,0|1,0,1]=4 2029 B8R1.1 CN1C=NC(=N1)C=O MCULE-1147588742 [0,1,0,1,0,0|2,0,0]=4 2030 B8R1.1 CN1N=CC(=N1)C=O MCULE-2530075826 [0,1,0,1,0,0|2,0,0]=4 2031 B8R1.1 CNC1=CN(N=C1)C MCULE-1159966798 [0,1,0,1,0,0|2,0,0]=4 2032 B8R1.1 CNC1=CN(N=C1)C MCULE-6061547804 [0,1,0,1,0,0|2,0,0]=4 2033 B8R1.1 CNC1=CN(N=C1)C MCULE-7191607932 [0,1,0,1,0,0|2,0,0]=4 2034 B8R1.1 CNC1=NC(=CS1)C MCULE-8870714223 [0,1,0,1,0,0|1,1,0]=4 2035 B8R1.1 CNC1=NC=C(S1)C MCULE-3804593079 [0,1,0,1,0,0|2,0,0]=4 2036 B8R1.1 COC1=CN(N=C1)C MCULE-4803156922 [0,1,0,1,0,0|2,0,0]=4 2037 B8R1.1 COC1=NC(=CS1)C MCULE-4196333315 [0,1,0,1,0,0|1,1,0]=4 2038 B8R1.1 CSC1=CC(=CS1)C MCULE-1504425261 [0,1,0,1,0,0|0,1,1]=4 2039 B8R1.1 CSC1=CC=C(O1)C MCULE-9492880629 [0,1,0,1,0,0|2,0,0]=4 2040 B8R1.1 CSC1=CC=C(S1)C MCULE-4604185514 [0,1,0,1,0,0|2,0,0]=4 2041 B8R1.1 CSC1=CN(N=C1)C MCULE-8667538993 [0,1,0,1,0,0|2,0,0]=4 2042 B8R1.1 CSC1=NC(=CS1)C MCULE-6622865765 [0,1,0,1,0,0|1,1,0]=4 2043 B8R1.1 O=C[C@@H]1CC(CN1)F MCULE-5331901113 [0,1,0,1,0,0|1,0,1]=4 2044 B8R1.1 O=C[C@@H]1CC(CN1)F MCULE-6102557843 [0,1,0,1,0,0|1,0,1]=4 2045 B8R1.4 C1(CC(=O)CCN1)C MCULE-1061296374 [0,1,0,1,0,0|1,0,1]=4 2046 B8R1.4 C1(CC(=O)CCN1)C MCULE-4465075512 [0,1,0,1,0,0|1,0,1]=4 2047 B8R1.4 C1(CC(=O)CCN1)C MCULE-9958407361 [0,1,0,1,0,0|1,0,1]=4 2048 B8R1.4 C=C1CCCC(=O)O1 MCULE-1342678884 [0,1,0,1,0,0|0,0,2]=4 2049 B8R1.4 CC1=CC(=NC=N1)C MCULE-6866776039 [0,1,0,1,0,0|1,0,1]=4 2050 B8R1.4 CC1=CC(=O)CCC1 MCULE-6849313207 [0,1,0,1,0,0|0,0,1]=3 2051 B8R1.4 CC1=CC(=O)NN=C1 MCULE-4739919200 [0,1,0,1,0,0|2,0,0]=4 2052 B8R1.4 CC1=CC(=O)OCC1 MCULE-1467184061 [0,1,0,1,0,0|1,0,1]=4 2053 B8R1.4 CC1=CC(CCC1)O MCULE-3389687006 [0,1,0,1,0,0|0,0,2]=4 2054 B8R1.4 CC1=CC(CNC1)C MCULE-4673363753 [0,1,0,1,0,0|1,0,1]=4 2055 B8R1.4 CC1=CC(CNC1)C MCULE-8321555834 [0,1,0,1,0,0|1,0,1]=4 2056 B8R1.4 CC1=CC=CC(=C1)C MCULE-9376558510 [0,1,0,1,0,0|1,0,1]=4 2057 B8R1.4 CC1=CC=CC(=O)N1 MCULE-2763977381 [0,1,0,1,0,0|0,0,2]=4 2058 B8R1.4 CC1=CC=NC(=C1)C MCULE-4424416466 [0,1,0,1,0,0|1,0,1]=4 2059 B8R1.4 CC1=CC=NC(=O)C1 MCULE-4882777367 [0,1,0,1,0,0|1,0,1]=4 2060 B8R1.4 CC1=CC=NC(=O)N1 MCULE-6541642341 [0,1,0,1,0,0|1,0,1]=4 2061 B8R1.4 CC1=CCCC(=O)C1 MCULE-8078773996 [0,1,0,1,0,0|0,0,0]=2 2062 B8R1.4 CC1=CCCC(=O)O1 MCULE-1590433845 [0,1,0,1,0,0|0,0,0]=2 2063 B8R1.4 CC1=CN=CC(=C1)C MCULE-2931433741 [0,1,0,1,0,0|1,0,1]=4 2064 B8R1.4 CC1=CN=NC(=O)C1 MCULE-7693429104 [0,1,0,1,0,0|2,0,0]=4 2065 B8R1.4 CC1=NC(=O)NC=C1 MCULE-2973571138 [0,1,0,1,0,0|1,0,1]=4 2066 B8R1.4 CC1CC(=O)CCN1 MCULE-3306158037 [0,1,0,1,0,0|1,0,1]=4 2067 B8R1.4 CC1CC(=O)CCN1 MCULE-4556824309 [0,1,0,1,0,0|1,0,1]=4 2068 B8R1.4 CC1CC(=O)CCN1 MCULE-6103506996 [0,1,0,1,0,0|1,0,1]=4 2069 B8R1.4 CC1CC(=O)CCN1 MCULE-9670943852 [0,1,0,1,0,0|1,0,1]=4 2070 B8R1.4 CC1CC(=O)CCO1 MCULE-3051168755 [0,1,0,1,0,0|1,0,1]=4 2071 B8R1.4 CC1CCCC(=O)C1 MCULE-6473963111 [0,1,0,1,0,0|0,0,2]=4 2072 B8R1.4 CC1CCCC(=O)C1 MCULE-9918051823 [0,1,0,1,0,0|0,0,2]=4 2073 B8R1.4 CC1CCCC(=O)N1 MCULE-3851963076 [0,1,0,1,0,0|0,0,2]=4 2074 B8R1.4 CC1CCCC(=O)O1 MCULE-4000069856 [0,1,0,1,0,0|0,0,2]=4 2075 B8R1.4 CN1CCCC(=O)C1 MCULE-1067967474 [0,1,0,1,0,0|1,0,1]=4 2076 B8R1.4 CN1CCCC(=O)C1 MCULE-4816876030 [0,1,0,1,0,0|1,0,1]=4 2077 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7688577280 [0,1,0,1,0,0|1,0,1]=4 2078 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-7762440526 [0,1,0,1,0,0|1,0,1]=4 2079 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-8158589956 [0,1,0,1,0,0|1,0,1]=4 2080 B8R1.4 C[C@@H]1CC(=O)CCN1 MCULE-9544551566 [0,1,0,1,0,0|1,0,1]=4 2081 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-4878813100 [0,1,0,1,0,0|1,0,1]=4 2082 B8R1.4 C[C@@H]1CC(=O)CCO1 MCULE-7917159022 [0,1,0,1,0,0|1,0,1]=4 2083 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-1868776628 [0,1,0,1,0,0|0,0,2]=4 2084 B8R1.4 C[C@@H]1CCCC(=O)C1 MCULE-6973928430 [0,1,0,1,0,0|0,0,2]=4 2085 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-2050655386 [0,1,0,1,0,0|0,0,2]=4 2086 B8R1.4 C[C@@H]1CCCC(=O)N1 MCULE-7049359933 [0,1,0,1,0,0|0,0,2]=4 2087 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-6306078053 [0,1,0,1,0,0|0,0,2]=4 2088 B8R1.4 C[C@@H]1CCCC(=O)O1 MCULE-7616070208 [0,1,0,1,0,0|0,0,2]=4 2089 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-1599463757 [0,1,0,1,0,0|1,0,1]=4 2090 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-4580048332 [0,1,0,1,0,0|1,0,1]=4 2091 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5356496154 [0,1,0,1,0,0|1,0,1]=4 2092 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-5733481696 [0,1,0,1,0,0|1,0,1]=4 2093 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-6641640616 [0,1,0,1,0,0|1,0,1]=4 2094 B8R1.4 C[C@H]1CC(=O)CCN1 MCULE-8001129555 [0,1,0,1,0,0|1,0,1]=4 2095 B8R1.4 C[C@H]1CC(=O)CCO1 MCULE-7799394182 [0,1,0,1,0,0|1,0,1]=4 2096 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-4643975445 [0,1,0,1,0,0|0,0,2]=4 2097 B8R1.4 C[C@H]1CCCC(=O)C1 MCULE-6122391840 [0,1,0,1,0,0|0,0,2]=4 2098 B8R1.4 NC1=CC(=O)CCC1 MCULE-3362548403 [0,1,0,1,0,0|1,0,1]=4 2099 B8R1.4 NC1=NCCC(=O)N1 MCULE-1616157929 [0,1,0,1,0,0|2,0,0]=4 2100 B8R1.4 O=C1C=C(CCC1)Br MCULE-3733885681 [0,1,0,1,0,0|1,0,1]=4 2101 B8R1.4 O=C1C=C(CCC1)Cl MCULE-9612484193 [0,1,0,1,0,0|1,0,1]=4 2102 B8R1.4 O=C1C=C(CCC1)I MCULE-4085762002 [0,1,0,1,0,0|1,0,1]=4 2103 B8R1.4 O=C1C=C(CCC1)O MCULE-5615245957 [0,1,0,1,0,0|1,0,1]=4 2104 B8R1.4 O=C1CCCC(=O)C1 MCULE-7494421285 [0,1,0,1,0,0|1,0,1]=4 2105 B8R1.4 O=C1CCCC(=O)N1 MCULE-7505150579 [0,1,0,1,0,0|1,0,1]=4 2106 B8R1.4 O=C1CCCC(=O)O1 MCULE-4866925975 [0,1,0,1,0,0|1,0,1]=4 2107 B8R1.4 O=C1CCNC(=O)C1 MCULE-7662080105 [0,1,0,1,0,0|2,0,0]=4 2108 B8R1.4 O=C1CCNC(=O)N1 MCULE-8986910982 [0,1,0,1,0,0|2,0,0]=4 2109 B8R1.4 O=C1CCNC(=O)O1 MCULE-8298722634 [0,1,0,1,0,0|2,0,0]=4 2110 B8R1.4 O=C1CCOC(=O)C1 MCULE-3134133687 [0,1,0,1,0,0|2,0,0]=4 2111 B8R1.4 [C@@H]1(CCCC(=O)N1)C MCULE-8906937588 [0,1,0,1,0,0|0,0,2]=4 2112 B8R1.18 C=C1CC(OC1=O)C MCULE-4610228867 [0,1,0,1,0,0|0,0,2]=4 2113 B8R1.18 CC1=CC(=C(O1)C)C MCULE-4079062433 [0,1,0,1,0,0|0,0,2]=4 2114 B8R1.18 CC1=CC(=C(S1)Br)C MCULE-6382980397 [0,1,0,1,0,0|0,1,1]=4 2115 B8R1.18 CC1=CC(=C(S1)C)C MCULE-5897025132 [0,1,0,1,0,0|0,1,1]=4 2116 B8R1.18 CC1=CC(=O)C(O1)C MCULE-7165152063 [0,1,0,1,0,0|1,0,0]=3 2117 B8R1.18 CC1=CC(=O)N(N1)C MCULE-5732152928 [0,1,0,1,0,0|2,0,0]=4 2118 B8R1.18 CC1=CC(=O)NC1=O MCULE-3109096484 [0,1,0,1,0,0|1,0,1]=4 2119 B8R1.18 CC1=CC(=O)OC1=O MCULE-1735822163 [0,1,0,1,0,0|1,0,1]=4 2120 B8R1.18 CC1=CC(CC1=O)O MCULE-6348285774 [0,1,0,1,0,0|0,0,0]=2 2121 B8R1.18 CC1=CC(OC1=O)Br MCULE-3845731354 [0,1,0,1,0,0|1,0,0]=3 2122 B8R1.18 CC1=CC(OC1=O)Cl MCULE-5657964064 [0,1,0,1,0,0|1,0,0]=3 2123 B8R1.18 CC1=CC(OC1=O)O MCULE-9085952542 [0,1,0,1,0,0|1,0,0]=3 2124 B8R1.18 CC1=CN(C(=N1)Br)C MCULE-6444314724 [0,1,0,1,0,0|2,0,0]=4 2125 B8R1.18 CC1=CN(C(=N1)C)C MCULE-4999984114 [0,1,0,1,0,0|2,0,0]=4 2126 B8R1.18 CC1=CN(C(=N1)N)C MCULE-3042190130 [0,1,0,1,0,0|2,0,0]=4 2127 B8R1.18 CC1=CN(C(=N1)N)C MCULE-9942914001 [0,1,0,1,0,0|2,0,0]=4 2128 B8R1.18 CC1=CN(C(=O)N1)C MCULE-6864157223 [0,1,0,1,0,0|1,0,0]=3 2129 B8R1.18 CC1=CN(N=C1Br)C MCULE-1430953324 [0,1,0,1,0,0|2,0,0]=4 2130 B8R1.18 CC1=CN(N=C1I)C MCULE-8026596032 [0,1,0,1,0,0|2,0,0]=4 2131 B8R1.18 CC1=CN(N=C1N)C MCULE-3045278737 [0,1,0,1,0,0|2,0,0]=4 2132 B8R1.18 CC1=CN(N=C1N)C MCULE-4829746604 [0,1,0,1,0,0|2,0,0]=4 2133 B8R1.18 CC1=CN(N=C1N)C MCULE-6653604045 [0,1,0,1,0,0|2,0,0]=4 2134 B8R1.18 CC1=CN([N+](=C1)C)C MCULE-1754522208 [0,1,0,1,0,0|2,0,0]=4 2135 B8R1.18 CC1=CN([N+](=C1)C)C MCULE-7848007837 [0,1,0,1,0,0|2,0,0]=4 2136 B8R1.18 CC1=C[C@H](NC1=O)O MCULE-7726239614 [0,1,0,1,0,0|1,0,0]=3 2137 B8R1.18 CC1=NN(C(=O)C1)C MCULE-3316902396 [0,1,0,1,0,0|2,0,0]=4 2138 B8R1.18 CC1CC(=O)C(O1)C MCULE-9648127298 [0,1,0,1,0,0|1,0,1]=4 2139 B8R1.18 CC1CC(=O)N(C1)C MCULE-2164356802 [0,1,0,1,0,0|1,0,1]=4 2140 B8R1.18 CC1CC(=O)N(N1)C MCULE-3951114099 [0,1,0,1,0,0|2,0,0]=4 2141 B8R1.18 CC1CC(=O)NC1=O MCULE-2962850802 [0,1,0,1,0,0|1,0,1]=4 2142 B8R1.18 CC1CC(=O)OC1=O MCULE-6043315810 [0,1,0,1,0,0|1,0,1]=4 2143 B8R1.18 CC1CN(CC1=O)C MCULE-3780339739 [0,1,0,1,0,0|1,0,1]=4 2144 B8R1.18 CC1NC(=O)CC1=O MCULE-3973500509 [0,1,0,1,0,0|2,0,0]=4 2145 B8R1.18 CC1NC(=O)NC1=O MCULE-4619149186 [0,1,0,1,0,0|2,0,0]=4 2146 B8R1.18 CC1NC(=O)OC1=O MCULE-5437194910 [0,1,0,1,0,0|2,0,0]=4 2147 B8R1.18 CC1NC(=O)OC1=O MCULE-6711218397 [0,1,0,1,0,0|2,0,0]=4 2148 B8R1.18 CC1NC(=S)NC1=O MCULE-8518769044 [0,1,0,1,0,0|2,0,0]=4 2149 B8R1.18 CC1OC(=O)NC1=O MCULE-8191598152 [0,1,0,1,0,0|2,0,0]=4 2150 B8R1.18 CC1SC(=NC1=O)N MCULE-7605573631 [0,1,0,1,0,0|2,0,0]=4 2151 B8R1.18 CC1SC(=O)NC1=O MCULE-9249450232 [0,1,0,1,0,0|2,0,0]=4 2152 B8R1.18 CN1CC(CC1=O)I MCULE-4945824576 [0,1,0,1,0,0|1,0,1]=4 2153 B8R1.18 CN1CC(CC1=O)N MCULE-2463085778 [0,1,0,1,0,0|1,0,1]=4 2154 B8R1.18 CN1CC(CC1=O)N MCULE-2958084133 [0,1,0,1,0,0|1,0,1]=4 2155 B8R1.18 CN1CC(CC1=O)O MCULE-3900359646 [0,1,0,1,0,0|1,0,1]=4 2156 B8R1.18 CN1C[C@@H](CC1=O)N MCULE-5898871508 [0,1,0,1,0,0|1,0,1]=4 2157 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-6983684031 [0,1,0,1,0,0|1,0,1]=4 2158 B8R1.18 CN1C[C@@H](CC1=O)O MCULE-9036883490 [0,1,0,1,0,0|1,0,1]=4 2159 B8R1.18 CN1C[C@H](CC1=O)N MCULE-6260844558 [0,1,0,1,0,0|1,0,1]=4 2160 B8R1.18 CN1C[C@H](CC1=O)N MCULE-9464195407 [0,1,0,1,0,0|1,0,1]=4 2161 B8R1.18 CN1C[C@H](CC1=O)O MCULE-1129246553 [0,1,0,1,0,0|1,0,1]=4 2162 B8R1.18 CN1C[C@H](CC1=O)O MCULE-3762455862 [0,1,0,1,0,0|1,0,1]=4 2163 B8R1.18 C[C@@H]1CC(=O)NC1=O MCULE-9043552998 [0,1,0,1,0,0|1,0,1]=4 2164 B8R1.18 C[C@@H]1NC(=O)NC1=O MCULE-1126054848 [0,1,0,1,0,0|2,0,0]=4 2165 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-3338806314 [0,1,0,1,0,0|2,0,0]=4 2166 B8R1.18 C[C@@H]1NC(=O)OC1=O MCULE-9892061668 [0,1,0,1,0,0|2,0,0]=4 2167 B8R1.18 C[C@H]1CC(=O)OC1=O MCULE-7764909201 [0,1,0,1,0,0|1,0,1]=4 2168 B8R1.18 C[C@H]1NC(=O)NC1=O MCULE-5443325319 [0,1,0,1,0,0|2,0,0]=4 2169 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-2658468572 [0,1,0,1,0,0|2,0,0]=4 2170 B8R1.18 C[C@H]1NC(=O)OC1=O MCULE-9205776561 [0,1,0,1,0,0|2,0,0]=4 2171 B8R1.43 CCC1CC1C(=O)O MCULE-2993174891 [0,1,0,1,0,0|0,0,2]=4 2172 B8R1.43 CC[C@@H]1C[C@H]1C(=O)O MCULE-8944777861 [0,1,0,1,0,0|0,0,2]=4 2173 B8R1.53 CC1(C=C(C1)C#N)C MCULE-8156356140 [0,1,0,1,0,0|1,0,1]=4 2174 B8R1.53 CC1(CC(C1)C=O)C MCULE-1414928919 [0,1,0,1,0,0|0,0,2]=4 2175 B8R1.2 BrC=C1CCCCC1 MCULE-1203677785 [0,1,0,1,0,0|1,0,1]=4 2176 B8R1.2 BrCC1=CCCCC1 MCULE-4196033923 [0,1,0,1,0,0|1,0,1]=4 2177 B8R1.2 C#CC1=CCCCC1 MCULE-2729587527 [0,1,0,1,0,0|1,0,1]=4 2178 B8R1.2 CC=C1CCCCC1 MCULE-6327883518 [0,1,0,1,0,0|1,0,1]=4 2179 B8R1.2 CCC1=CCCC=C1 MCULE-7185315314 [0,1,0,1,0,0|1,0,0]=3 2180 B8R1.2 COC1=CCCCC1 MCULE-9079372045 [0,1,0,1,0,0|1,0,1]=4 2181 B8R1.2 COC1=CCOCC1 MCULE-8337045524 [0,1,0,1,0,0|2,0,0]=4 2182 B8R1.2 IC=C1CCCCC1 MCULE-9165742833 [0,1,0,1,0,0|1,0,1]=4 2183 B8R1.2 N#CC1=CCCCC1 MCULE-7215745635 [0,1,0,1,0,0|1,0,1]=4 2184 B8R1.2 N#CC1=CCCCO1 MCULE-5646992777 [0,1,0,1,0,0|1,0,1]=4 2185 B8R1.2 N#CC1=CCNCC1 MCULE-2620119006 [0,1,0,1,0,0|1,0,1]=4 2186 B8R1.2 N#CC1=CCNCC1 MCULE-3274888010 [0,1,0,1,0,0|1,0,1]=4 2187 B8R1.2 N#CC1=CCOCC1 MCULE-6283793140 [0,1,0,1,0,0|1,0,1]=4 2188 B8R1.2 NCC1=CCCCC1 MCULE-3951635533 [0,1,0,1,0,0|1,0,1]=4 2189 B8R1.2 NCC1=CCCCC1 MCULE-4923330324 [0,1,0,1,0,0|1,0,1]=4 2190 B8R1.2 NCC1=CCCOC1 MCULE-1828364688 [0,1,0,1,0,0|0,0,2]=4 2191 B8R1.2 NCC1=CCCOC1 MCULE-8439895783 [0,1,0,1,0,0|0,0,2]=4 2192 B8R1.2 NCC1=CCOCC1 MCULE-5018009136 [0,1,0,1,0,0|1,0,1]=4 2193 B8R1.2 NCC1=CCOCC1 MCULE-6920828049 [0,1,0,1,0,0|1,0,1]=4 2194 B8R1.2 O=CC1=CCCCC1 MCULE-6209420256 [0,1,0,1,0,0|0,0,0]=2 2195 B8R1.2 O=CC1=CCCOC1 MCULE-5495935874 [0,1,0,1,0,0|0,0,0]=2 2196 B8R1.2 O=CC1=CCCSC1 MCULE-9611960845 [0,1,0,1,0,0|0,0,0]=2 2197 B8R1.2 O=CC1=COCCC1 MCULE-5246467858 [0,1,0,1,0,0|0,0,0]=2 2198 B8R1.2 O=CC1=COCCO1 MCULE-4502742368 [0,1,0,1,0,0|1,0,0]=3 2199 B8R1.2 O=CC1C=CCCC1 MCULE-7360804121 [0,1,0,1,0,0|0,0,1]=3 2200 B8R1.2 O=CC1CC=CCC1 MCULE-4752119585 [0,1,0,1,0,0|0,0,2]=4 2201 B8R1.2 O=CC1CCC=CO1 MCULE-1271711654 [0,1,0,1,0,0|0,0,2]=4 2202 B8R1.2 O=CC1CCCCC1 MCULE-7345097178 [0,1,0,1,0,0|0,0,2]=4 2203 B8R1.2 O=CC1CCCCN1 MCULE-7681438476 [0,1,0,1,0,0|0,0,2]=4 2204 B8R1.2 O=CC1CCCCN1 MCULE-9370686295 [0,1,0,1,0,0|0,0,2]=4 2205 B8R1.2 O=CC1CCCCO1 MCULE-6497412510 [0,1,0,1,0,0|0,0,2]=4 2206 B8R1.2 O=CC1CCCNC1 MCULE-4037480911 [0,1,0,1,0,0|0,0,2]=4 2207 B8R1.2 O=CC1CCCNC1 MCULE-9205787069 [0,1,0,1,0,0|0,0,2]=4 2208 B8R1.2 O=CC1CCCOC1 MCULE-6841728518 [0,1,0,1,0,0|0,0,2]=4 2209 B8R1.2 O=CC1CCCSC1 MCULE-8369808876 [0,1,0,1,0,0|0,0,2]=4 2210 B8R1.2 O=CC1CCNCC1 MCULE-3856245073 [0,1,0,1,0,0|0,0,2]=4 2211 B8R1.2 O=CC1CCNCC1 MCULE-8439609130 [0,1,0,1,0,0|0,0,2]=4 2212 B8R1.2 O=CC1CCOCC1 MCULE-6884786677 [0,1,0,1,0,0|0,0,2]=4 2213 B8R1.2 O=CC1CCSCC1 MCULE-4728594373 [0,1,0,1,0,0|0,0,2]=4 2214 B8R1.2 O=CC1COCCO1 MCULE-3817488986 [0,1,0,1,0,0|1,0,1]=4 2215 B8R1.2 O=CN1C=COCC1 MCULE-2988916890 [0,1,0,1,0,0|1,0,1]=4 2216 B8R1.2 O=CN1CCCCC1 MCULE-3028605826 [0,1,0,1,0,0|1,0,1]=4 2217 B8R1.2 O=CN1CCNCC1 MCULE-8359044100 [0,1,0,1,0,0|1,0,1]=4 2218 B8R1.2 O=CN1CCOCC1 MCULE-2465964585 [0,1,0,1,0,0|1,0,1]=4 2219 B8R1.2 O=C[C@@H]1CCC=CO1 MCULE-1864295712 [0,1,0,1,0,0|0,0,2]=4 2220 B8R1.2 OCC1=CCCCC1 MCULE-2422738199 [0,1,0,1,0,0|0,0,2]=4 2221 B8R1.2 OCC1=CCCCO1 MCULE-1995059172 [0,1,0,1,0,0|0,0,2]=4 2222 B8R1.2 OCC1=CCCOC1 MCULE-5407184933 [0,1,0,1,0,0|0,0,2]=4 2223 B8R1.2 OCC1=CCOCC1 MCULE-6666473990 [0,1,0,1,0,0|0,0,2]=4 2224 B8R1.3 CC1=CC=C(C=C1)C MCULE-3769448716 [0,1,0,1,0,0|1,0,1]=4 2225 B8R1.3 CC1=CC=C(N=C1)C MCULE-9408937494 [0,1,0,1,0,0|1,0,1]=4 2226 B8R1.3 CC1=CC=[N+](C=C1)C MCULE-4025313007 [0,1,0,1,0,0|1,0,1]=4 2227 B8R1.3 CC1=CC=[N+](C=C1)C MCULE-4273726279 [0,1,0,1,0,0|1,0,1]=4 2228 B8R1.3 CC1=CC=[N+](C=C1)C MCULE-6726520583 [0,1,0,1,0,0|1,0,1]=4 2229 B8R1.3 CC1=CCC(CC1)N MCULE-2698586518 [0,1,0,1,0,0|1,0,1]=4 2230 B8R1.3 CC1=CN=C(C=N1)C MCULE-2763393473 [0,1,0,1,0,0|1,0,1]=4 2231 B8R1.3 CC1=CN=C(N=C1)C MCULE-9429734198 [0,1,0,1,0,0|1,0,1]=4 2232 B8R1.5 C=C1CCCNC1=O MCULE-1867993758 [0,1,0,1,0,0|0,0,2]=4 2233 B8R1.5 CC1=C(CNCC1)Br MCULE-2210558974 [0,1,0,1,0,0|1,0,1]=4 2234 B8R1.5 CC1=C(CNCC1)Br MCULE-2548770953 [0,1,0,1,0,0|1,0,1]=4 2235 B8R1.5 CC1=C(CNCC1)C MCULE-7715400597 [0,1,0,1,0,0|1,0,1]=4 2236 B8R1.5 CC1=C(CNCC1)C MCULE-9843104075 [0,1,0,1,0,0|1,0,1]=4 2237 B8R1.5 CC1=CC=CNC1=O MCULE-8735614074 [0,1,0,1,0,0|0,0,2]=4 2238 B8R1.5 CC1=CC=NNC1=O MCULE-4615705346 [0,1,0,1,0,0|1,0,1]=4 2239 B8R1.5 CC1=CCCCC1=O MCULE-6245248136 [0,1,0,1,0,0|0,0,0]=2 2240 B8R1.5 CC1=NC=CNC1=O MCULE-8764563866 [0,1,0,1,0,0|1,0,1]=4 2241 B8R1.5 CC1=NCCN=C1C MCULE-5569035014 [0,1,0,1,0,0|2,0,0]=4 2242 B8R1.5 CC1=NCCN=C1O MCULE-8832794702 [0,1,0,1,0,0|1,0,1]=4 2243 B8R1.5 CC1CCCCC1=O MCULE-6363555535 [0,1,0,1,0,0|0,0,2]=4 2244 B8R1.5 CC1CCCNC1=O MCULE-5295531632 [0,1,0,1,0,0|0,0,2]=4 2245 B8R1.5 CC1CCCOC1=O MCULE-5926029136 [0,1,0,1,0,0|0,0,2]=4 2246 B8R1.5 CC1CCNCC1=O MCULE-8618050685 [0,1,0,1,0,0|0,0,2]=4 2247 B8R1.5 CC1CCNCC1=O MCULE-9238977073 [0,1,0,1,0,0|0,0,2]=4 2248 B8R1.5 CC1CCOCC1=O MCULE-2481965177 [0,1,0,1,0,0|0,0,2]=4 2249 B8R1.5 CC1CNCCC1=O MCULE-6306655160 [0,1,0,1,0,0|0,0,2]=4 2250 B8R1.5 CC1CNCCC1=O MCULE-9018912988 [0,1,0,1,0,0|0,0,2]=4 2251 B8R1.5 CC1COCCC1=O MCULE-2694187526 [0,1,0,1,0,0|0,0,2]=4 2252 B8R1.5 CC1CSCCC1=O MCULE-4565033608 [0,1,0,1,0,0|0,0,2]=4 2253 B8R1.5 CC1NCCCC1=O MCULE-1303642695 [0,1,0,1,0,0|0,0,2]=4 2254 B8R1.5 CC1NCCCC1=O MCULE-6618358169 [0,1,0,1,0,0|0,0,2]=4 2255 B8R1.5 CC1NCCNC1=O MCULE-3078767867 [0,1,0,1,0,0|1,0,1]=4 2256 B8R1.5 CC1NCCNC1=O MCULE-9884862705 [0,1,0,1,0,0|1,0,1]=4 2257 B8R1.5 CC1OCCNC1=O MCULE-8812176499 [0,1,0,1,0,0|1,0,1]=4 2258 B8R1.5 CC1SCCCC1=O MCULE-7641066964 [0,1,0,1,0,0|0,0,2]=4 2259 B8R1.5 CC1SCCNC1=O MCULE-1825894745 [0,1,0,1,0,0|1,0,1]=4 2260 B8R1.5 CN1CCCCC1=O MCULE-9619129797 [0,1,0,1,0,0|1,0,1]=4 2261 B8R1.5 CN1CCCNC1=O MCULE-3141639397 [0,1,0,1,0,0|1,0,1]=4 2262 B8R1.5 CN1CCNCC1=O MCULE-4783963074 [0,1,0,1,0,0|1,0,1]=4 2263 B8R1.5 CN1CCNCC1=O MCULE-7251084542 [0,1,0,1,0,0|1,0,1]=4 2264 B8R1.5 CN1CCNCC1=O MCULE-9201460493 [0,1,0,1,0,0|1,0,1]=4 2265 B8R1.5 CN1CCNCC1=O MCULE-9789420240 [0,1,0,1,0,0|1,0,1]=4 2266 B8R1.5 CN1CCOCC1=O MCULE-8864378597 [0,1,0,1,0,0|1,0,1]=4 2267 B8R1.5 C[C@@H]1NCCNC1=O MCULE-1719923601 [0,1,0,1,0,0|1,0,1]=4 2268 B8R1.5 C[C@@H]1NCCNC1=O MCULE-3211216058 [0,1,0,1,0,0|1,0,1]=4 2269 B8R1.5 C[C@@H]1NCCNC1=O MCULE-4268624973 [0,1,0,1,0,0|1,0,1]=4 2270 B8R1.5 C[C@H]1CNCCC1=O MCULE-8062269317 [0,1,0,1,0,0|0,0,2]=4 2271 B8R1.5 C[C@H]1CNCCC1=O MCULE-9510433313 [0,1,0,1,0,0|0,0,2]=4 2272 B8R1.5 C[C@H]1COCCC1=O MCULE-3103478095 [0,1,0,1,0,0|0,0,2]=4 2273 B8R1.5 C[C@H]1NCCNC1=O MCULE-1350777729 [0,1,0,1,0,0|1,0,1]=4 2274 B8R1.5 C[C@H]1NCCNC1=O MCULE-3433713206 [0,1,0,1,0,0|1,0,1]=4 2275 B8R1.5 C[C@H]1NCCNC1=O MCULE-6014092524 [0,1,0,1,0,0|1,0,1]=4 2276 B8R1.5 O=C1CCCC=C1Br MCULE-3661382076 [0,1,0,1,0,0|1,0,0]=3 2277 B8R1.5 O=C1CCCC=C1I MCULE-5006563152 [0,1,0,1,0,0|1,0,0]=3 2278 B8R1.5 O=C1CCCCC1=O MCULE-5770827130 [0,1,0,1,0,0|1,0,1]=4 2279 B8R1.5 O=C1CCCNC1=O MCULE-3369124759 [0,1,0,1,0,0|1,0,1]=4 2280 B8R1.5 O=C1NCCC=C1Br MCULE-7421402456 [0,1,0,1,0,0|1,0,0]=3 2281 B8R1.5 O=C1NCCC=C1Cl MCULE-9026882449 [0,1,0,1,0,0|1,0,0]=3 2282 B8R1.5 O=C1NCCNC1=O MCULE-5492631108 [0,1,0,1,0,0|2,0,0]=4 2283 B8R1.5 O=C1NCCOC1=O MCULE-5092732656 [0,1,0,1,0,0|2,0,0]=4 2284 B8R1.5 O=C1OCCC=C1Br MCULE-6619697801 [0,1,0,1,0,0|1,0,0]=3 2285 B8R1.13 CCCC1CCC1=O MCULE-7626165824 [0,1,0,1,0,0|0,0,2]=4 2286 B8R1.38 CC(C=O)C1CCC1 MCULE-5860376202 [0,1,0,1,0,0|0,0,2]=4 2287 B8R1.38 COC(=O)C1=CCC1 MCULE-5016158090 [0,1,0,1,0,0|2,0,0]=4 2288 B8R1.47 COC1CC(C1)C=O MCULE-5156102264 [0,1,0,1,0,0|0,0,2]=4 2289 B8R1.47 O=CC1CC(C1)CBr MCULE-1788975486 [0,1,0,1,0,0|0,0,2]=4 2290 B8R1.50 CC1=C(C(=O)CC1)Br MCULE-4093496442 [0,1,0,1,0,0|1,0,0]=3 2291 B8R1.50 CC1=C(C(=O)CC1)C MCULE-6370073595 [0,1,0,1,0,0|0,0,0]=2 2292 B8R1.50 CC1=C(C(=O)CC1)O MCULE-2968247012 [0,1,0,1,0,0|1,0,0]=3 2293 B8R1.50 CC1=C(C(=O)CC1)O MCULE-9147894168 [0,1,0,1,0,0|1,0,0]=3 2294 B8R1.50 CC1=C(C(=O)CO1)O MCULE-9541217217 [0,1,0,1,0,0|2,0,0]=4 2295 B8R1.50 CC1=C(C(=O)N=N1)C MCULE-5610678748 [0,1,0,1,0,0|2,0,0]=4 2296 B8R1.50 CC1=C(C(=O)NC1)C MCULE-4444366984 [0,1,0,1,0,0|1,0,0]=3 2297 B8R1.50 CC1=C(C(=O)OC1)O MCULE-7870847121 [0,1,0,1,0,0|2,0,0]=4 2298 B8R1.50 CC1=C(C(=O)SC1)O MCULE-2081484623 [0,1,0,1,0,0|2,0,0]=4 2299 B8R1.50 CC1=C(CCC1=O)O MCULE-6367252690 [0,1,0,1,0,0|0,0,0]=2 2300 B8R1.50 CC1=C(COC1=O)Br MCULE-6953448957 [0,1,0,1,0,0|1,0,0]=3 2301 B8R1.50 CC1=C(COC1=O)O MCULE-4822806082 [0,1,0,1,0,0|1,0,0]=3 2302 B8R1.50 CC1=C(N(C=N1)C)Br MCULE-1802327564 [0,1,0,1,0,0|2,0,0]=4 2303 B8R1.50 CC1=C(N(C=N1)C)C MCULE-4324466747 [0,1,0,1,0,0|2,0,0]=4 2304 B8R1.50 CC1=C(N(C=N1)C)Cl MCULE-8948664946 [0,1,0,1,0,0|2,0,0]=4 2305 B8R1.50 CC1=C(N(C=N1)C)I MCULE-4595498940 [0,1,0,1,0,0|2,0,0]=4 2306 B8R1.50 CC1=C(N(C=N1)C)N MCULE-5535513749 [0,1,0,1,0,0|2,0,0]=4 2307 B8R1.50 CC1=C(N(C=N1)C)N MCULE-7194989601 [0,1,0,1,0,0|2,0,0]=4 2308 B8R1.50 CC1=C(N(CC1)C)Cl MCULE-2584612545 [0,1,0,1,0,0|1,0,1]=4 2309 B8R1.50 CC1=C(N(N=C1)C)Br MCULE-2974637607 [0,1,0,1,0,0|2,0,0]=4 2310 B8R1.50 CC1=C(N(N=C1)C)I MCULE-3380274676 [0,1,0,1,0,0|2,0,0]=4 2311 B8R1.50 CC1=C(N(N=C1)C)N MCULE-2481541867 [0,1,0,1,0,0|2,0,0]=4 2312 B8R1.50 CC1=C(N(N=C1)C)N MCULE-7967370752 [0,1,0,1,0,0|2,0,0]=4 2313 B8R1.50 CC1=C(OCC1=O)O MCULE-1835077768 [0,1,0,1,0,0|1,0,0]=3 2314 B8R1.50 CC1=C([N+](=CS1)C)C MCULE-3763494524 [0,1,0,1,0,0|2,0,0]=4 2315 B8R1.50 CC1=C([N+](=CS1)C)C MCULE-8100671155 [0,1,0,1,0,0|2,0,0]=4 2316 B8R1.50 CC1=CNC(=C1C)C MCULE-1561607071 [0,1,0,1,0,0|1,0,1]=4 2317 B8R1.50 CC1=CSC(=C1Br)C MCULE-5613460132 [0,1,0,1,0,0|0,1,1]=4 2318 B8R1.50 CC1=CSC(=C1N)C MCULE-1481066573 [0,1,0,1,0,0|0,1,1]=4 2319 B8R1.50 CC1=CSC(=C1N)C MCULE-6188273510 [0,1,0,1,0,0|0,1,1]=4 2320 B8R1.50 CC1C(=O)CCC1=O MCULE-4418458735 [0,1,0,1,0,0|0,0,1]=3 2321 B8R1.50 CC1C(=O)CCN1C MCULE-8191851293 [0,1,0,1,0,0|1,0,1]=4 2322 B8R1.50 CC1C(=O)COC1=O MCULE-4188541096 [0,1,0,1,0,0|1,0,1]=4 2323 B8R1.50 CC1CCC(=O)C1=O MCULE-7649396652 [0,1,0,1,0,0|1,0,1]=4 2324 B8R1.50 CC1CCC(=O)N1C MCULE-7405072604 [0,1,0,1,0,0|1,0,1]=4 2325 B8R1.50 CC1CCC(C1=O)C MCULE-1473375660 [0,1,0,1,0,0|0,0,2]=4 2326 B8R1.50 CC1CCN(C1=O)C MCULE-1499213360 [0,1,0,1,0,0|0,0,2]=4 2327 B8R1.50 CC1NCN(C1=O)C MCULE-2390134887 [0,1,0,1,0,0|1,0,1]=4 2328 B8R1.50 CC1NCN(C1=O)C MCULE-7463423136 [0,1,0,1,0,0|1,0,1]=4 2329 B8R1.50 CN1C(=O)CCC1=O MCULE-6726005566 [0,1,0,1,0,0|1,0,0]=3 2330 B8R1.50 CN1C(=O)CCC1O MCULE-1070053575 [0,1,0,1,0,0|1,0,1]=4 2331 B8R1.50 CN1C(=O)CNC1=O MCULE-8997643894 [0,1,0,1,0,0|2,0,0]=4 2332 B8R1.50 CN1C(=O)CNC1=S MCULE-6633485185 [0,1,0,1,0,0|2,0,0]=4 2333 B8R1.50 CN1C(=O)COC1=O MCULE-1190604947 [0,1,0,1,0,0|2,0,0]=4 2334 B8R1.50 CN1C(=O)CSC1=O MCULE-8837313577 [0,1,0,1,0,0|2,0,0]=4 2335 B8R1.50 CN1C(=O)CSC1=S MCULE-8742608574 [0,1,0,1,0,0|2,0,0]=4 2336 B8R1.50 CN1CCC(=O)C1=O MCULE-7541521172 [0,1,0,1,0,0|1,0,1]=4 2337 B8R1.50 CN1CCC(C1=O)Br MCULE-9857530514 [0,1,0,1,0,0|1,0,1]=4 2338 B8R1.50 CN1CCC(C1=O)Cl MCULE-5732339719 [0,1,0,1,0,0|1,0,1]=4 2339 B8R1.50 CN1CCC(C1=O)N MCULE-2896853309 [0,1,0,1,0,0|1,0,1]=4 2340 B8R1.50 CN1CCC(C1=O)N MCULE-5951659989 [0,1,0,1,0,0|1,0,1]=4 2341 B8R1.50 CN1CCC(C1=O)O MCULE-6867263123 [0,1,0,1,0,0|1,0,1]=4 2342 B8R1.50 CN1CCN(C1=O)C MCULE-4012400107 [0,1,0,1,0,0|1,0,1]=4 2343 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-3820062607 [0,1,0,1,0,0|1,0,1]=4 2344 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-7270649984 [0,1,0,1,0,0|1,0,1]=4 2345 B8R1.50 CN1CC[C@@H](C1=O)N MCULE-8015311112 [0,1,0,1,0,0|1,0,1]=4 2346 B8R1.50 CN1CC[C@H](C1=O)N MCULE-1278006515 [0,1,0,1,0,0|1,0,1]=4 2347 B8R1.50 CN1CC[C@H](C1=O)N MCULE-3751335664 [0,1,0,1,0,0|1,0,1]=4 2348 B8R1.50 CN1CC[C@H](C1=O)N MCULE-4883949932 [0,1,0,1,0,0|1,0,1]=4 2349 B8R1.50 CN1CC[C@H](C1=O)N MCULE-7143065464 [0,1,0,1,0,0|1,0,1]=4 2350 B8R1.50 NN1C(=O)CCC1=O MCULE-4432056181 [0,1,0,1,0,0|2,0,0]=4 2351 B8R1.50 NN1C(=O)CCC1=O MCULE-8224510852 [0,1,0,1,0,0|2,0,0]=4 2352 B8R1.50 O=C1CCC(=C1F)O MCULE-4719137849 [0,1,0,1,0,0|1,0,0]=3 2353 B8R1.50 O=C1CCC(=O)C1Br MCULE-7463233898 [0,1,0,1,0,0|1,0,1]=4 2354 B8R1.50 O=C1CCC(=O)C1Cl MCULE-9440848782 [0,1,0,1,0,0|1,0,1]=4 2355 B8R1.50 O=C1CCC(=O)N1Br MCULE-6561724377 [0,1,0,1,0,0|2,0,0]=4 2356 B8R1.50 O=C1CCC(=O)N1Cl MCULE-3093539402 [0,1,0,1,0,0|2,0,0]=4 2357 B8R1.50 O=C1CCC(=O)N1I MCULE-8261967194 [0,1,0,1,0,0|2,0,0]=4 2358 B8R1.50 O=C1CCC(=O)N1O MCULE-5478278340 [0,1,0,1,0,0|2,0,0]=4 2359 B8R1.50 O=C1OCC(=C1Br)Br MCULE-4636963042 [0,1,0,1,0,0|2,0,0]=4 2360 B8R1.50 O=C1OCC(=C1Br)O MCULE-3463044896 [0,1,0,1,0,0|2,0,0]=4 2361 B8R1.50 O=C1OCC(=C1Cl)Cl MCULE-1730099484 [0,1,0,1,0,0|2,0,0]=4 2362 B8R1.52 CC1(CCCC1)C=O MCULE-2794420297 [0,1,0,1,0,0|0,0,2]=4 2363 B8R1.52 CC1(CCCO1)C=O MCULE-4619641299 [0,1,0,1,0,0|0,0,2]=4 2364 B8R1.52 CC1(CCCS1)C=O MCULE-9560124012 [0,1,0,1,0,0|0,0,2]=4 2365 B8R1.52 O=CC1(CCCC1)F MCULE-6748021302 [0,1,0,1,0,0|0,0,2]=4 2366 B8R1.7 C1(CCCN1)C(=O)N MCULE-2539007211 [0,1,0,1,0,0|1,0,1]=4 2367 B8R1.7 C1(CCCN1)C(=O)N MCULE-7289713183 [0,1,0,1,0,0|1,0,1]=4 2368 B8R1.7 CC(=O)C1=CCCC1 MCULE-9623046872 [0,1,0,1,0,0|0,0,0]=2 2369 B8R1.7 CC(=O)C1=NCCS1 MCULE-8548990347 [0,1,0,1,0,0|2,0,0]=4 2370 B8R1.7 CC(=O)C1CCCC1 MCULE-7952211819 [0,1,0,1,0,0|0,0,2]=4 2371 B8R1.7 CC(=O)C1CCCN1 MCULE-2528977871 [0,1,0,1,0,0|1,0,1]=4 2372 B8R1.7 CC(=O)C1CCCN1 MCULE-9222880225 [0,1,0,1,0,0|1,0,1]=4 2373 B8R1.7 CC(=O)C1CCCO1 MCULE-7518147693 [0,1,0,1,0,0|1,0,1]=4 2374 B8R1.7 CC(=O)N1CCCC1 MCULE-6839528034 [0,1,0,1,0,0|1,0,1]=4 2375 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-1290635339 [0,1,0,1,0,0|1,0,1]=4 2376 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2855198659 [0,1,0,1,0,0|1,0,1]=4 2377 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-2944662012 [0,1,0,1,0,0|1,0,1]=4 2378 B8R1.7 CC(=O)[C@@H]1CCCN1 MCULE-4806473466 [0,1,0,1,0,0|1,0,1]=4 2379 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-2015960170 [0,1,0,1,0,0|1,0,1]=4 2380 B8R1.7 CC(=O)[C@@H]1CCCO1 MCULE-3381319090 [0,1,0,1,0,0|1,0,1]=4 2381 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-2095368644 [0,1,0,1,0,0|1,0,1]=4 2382 B8R1.7 CC(=O)[C@H]1CCCN1 MCULE-5460066005 [0,1,0,1,0,0|1,0,1]=4 2383 B8R1.7 CC(=O)[C@H]1CCCO1 MCULE-5637204370 [0,1,0,1,0,0|1,0,1]=4 2384 B8R1.7 NC(=O)C1=NCCN1 MCULE-8784849906 [0,1,0,1,0,0|2,0,0]=4 2385 B8R1.7 NC(=O)C1CCCC1 MCULE-3900666396 [0,1,0,1,0,0|0,0,2]=4 2386 B8R1.7 NC(=O)C1CCCN1 MCULE-4159463416 [0,1,0,1,0,0|1,0,1]=4 2387 B8R1.7 NC(=O)C1CCCN1 MCULE-4804910089 [0,1,0,1,0,0|1,0,1]=4 2388 B8R1.7 NC(=O)C1CCCO1 MCULE-9101921416 [0,1,0,1,0,0|1,0,1]=4 2389 B8R1.7 NC(=O)N1CCCC1 MCULE-2282948234 [0,1,0,1,0,0|1,0,1]=4 2390 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2635874022 [0,1,0,1,0,0|1,0,1]=4 2391 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-2652734118 [0,1,0,1,0,0|1,0,1]=4 2392 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-4692992308 [0,1,0,1,0,0|1,0,1]=4 2393 B8R1.7 NC(=O)[C@@H]1CCCN1 MCULE-6463625531 [0,1,0,1,0,0|1,0,1]=4 2394 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-3181755658 [0,1,0,1,0,0|1,0,1]=4 2395 B8R1.7 NC(=O)[C@@H]1CCCO1 MCULE-9348376356 [0,1,0,1,0,0|1,0,1]=4 2396 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-1391877694 [0,1,0,1,0,0|1,0,1]=4 2397 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-2636422628 [0,1,0,1,0,0|1,0,1]=4 2398 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-3135852117 [0,1,0,1,0,0|1,0,1]=4 2399 B8R1.7 NC(=O)[C@H]1CCCN1 MCULE-9661392945 [0,1,0,1,0,0|1,0,1]=4 2400 B8R1.7 O=C(Cl)C1CCCC1 MCULE-1337538941 [0,1,0,1,0,0|0,0,2]=4 2401 B8R1.7 O=C(Cl)C1CCCO1 MCULE-9691919934 [0,1,0,1,0,0|1,0,1]=4 2402 B8R1.7 O=C(Cl)N1CCCC1 MCULE-2201729080 [0,1,0,1,0,0|1,0,1]=4 2403 B8R1.7 O=C(O)C1=CCCC1 MCULE-2928571993 [0,1,0,1,0,0|0,0,0]=2 2404 B8R1.7 O=C(O)C1=CCCO1 MCULE-8380391200 [0,1,0,1,0,0|1,0,0]=3 2405 B8R1.7 O=C(O)C1=CCCS1 MCULE-9231409703 [0,1,0,1,0,0|1,0,0]=3 2406 B8R1.7 O=C(O)C1=CCNC1 MCULE-2391284266 [0,1,0,1,0,0|1,0,0]=3 2407 B8R1.7 O=C(O)C1=CCNC1 MCULE-5725335930 [0,1,0,1,0,0|1,0,0]=3 2408 B8R1.7 O=C(O)C1=CCOC1 MCULE-3209603870 [0,1,0,1,0,0|1,0,0]=3 2409 B8R1.7 O=C(O)C1=CCSC1 MCULE-3187835692 [0,1,0,1,0,0|1,0,0]=3 2410 B8R1.7 O=C(O)C1=COCC1 MCULE-7263072561 [0,1,0,1,0,0|1,0,0]=3 2411 B8R1.7 O=C(O)C1=CSCS1 MCULE-2399429418 [0,1,0,1,0,0|2,0,0]=4 2412 B8R1.7 O=C(O)C1=NCCC1 MCULE-2664768755 [0,1,0,1,0,0|1,0,0]=3 2413 B8R1.7 O=C(O)C1=NOCC1 MCULE-3126584315 [0,1,0,1,0,0|2,0,0]=4 2414 B8R1.7 O=C(O)C1C=CCC1 MCULE-8870546284 [0,1,0,1,0,0|0,0,2]=4 2415 B8R1.7 O=C(O)C1CCCC1 MCULE-6415159340 [0,1,0,1,0,0|0,0,2]=4 2416 B8R1.7 O=C(O)C1CCCN1 MCULE-2229401513 [0,1,0,1,0,0|1,0,1]=4 2417 B8R1.7 O=C(O)C1CCCN1 MCULE-6305507014 [0,1,0,1,0,0|1,0,1]=4 2418 B8R1.7 O=C(O)C1CCCN1 MCULE-8387491590 [0,1,0,1,0,0|1,0,1]=4 2419 B8R1.7 O=C(O)C1CCCN1 MCULE-8611160929 [0,1,0,1,0,0|1,0,1]=4 2420 B8R1.7 O=C(O)C1CCCO1 MCULE-1952289090 [0,1,0,1,0,0|1,0,1]=4 2421 B8R1.7 O=C(O)C1CCCO1 MCULE-5387481824 [0,1,0,1,0,0|1,0,1]=4 2422 B8R1.7 O=C(O)C1CCCS1 MCULE-7760686042 [0,1,0,1,0,0|1,0,1]=4 2423 B8R1.7 O=C(O)N1CCCC1 MCULE-7984061130 [0,1,0,1,0,0|1,0,1]=4 2424 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-1020921088 [0,1,0,1,0,0|1,0,1]=4 2425 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6398060480 [0,1,0,1,0,0|1,0,1]=4 2426 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-6772131264 [0,1,0,1,0,0|1,0,1]=4 2427 B8R1.7 O=C(O)[C@@H]1CCCN1 MCULE-8415049837 [0,1,0,1,0,0|1,0,1]=4 2428 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-5193388500 [0,1,0,1,0,0|1,0,1]=4 2429 B8R1.7 O=C(O)[C@@H]1CCCO1 MCULE-8181760406 [0,1,0,1,0,0|1,0,1]=4 2430 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-5856142508 [0,1,0,1,0,0|1,0,1]=4 2431 B8R1.7 O=C(O)[C@H]1CCCN1 MCULE-7748032436 [0,1,0,1,0,0|1,0,1]=4 2432 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-2258024439 [0,1,0,1,0,0|1,0,1]=4 2433 B8R1.7 O=C(O)[C@H]1CCCO1 MCULE-5143953192 [0,1,0,1,0,0|1,0,1]=4 2434 B8R1.7 O=C([O-])C1CCCN1 MCULE-9155494525 [0,1,0,1,0,0|1,0,1]=4 2435 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-2694821396 [0,1,0,1,0,0|1,0,1]=4 2436 B8R1.7 O=C([O-])[C@@H]1CCCN1 MCULE-8353601451 [0,1,0,1,0,0|1,0,1]=4 2437 B8R1.7 OB(O)C1=CCCC1 MCULE-9719215712 [0,1,0,1,0,0|1,0,1]=4 2438 B8R1.19 CC1(CCCC1=O)C MCULE-2010694408 [0,1,0,1,0,0|0,0,2]=4 2439 B8R1.19 CC1(CCCC1=O)F MCULE-5382994089 [0,1,0,1,0,0|0,0,2]=4 2440 B8R1.19 CC1(NCCC1=O)C MCULE-1973849102 [0,1,0,1,0,0|1,0,1]=4 2441 B8R1.19 CC1(NCCC1=O)C MCULE-6763568764 [0,1,0,1,0,0|1,0,1]=4 2442 B8R1.19 CC1(OCCC1=O)C MCULE-3204846453 [0,1,0,1,0,0|1,0,1]=4 2443 B8R1.19 O=S1(=O)CCC=C1Br MCULE-4066446998 [0,1,0,1,0,0|2,0,0]=4 2444 B8R1.19 O=S1(=O)CCC=C1Cl MCULE-2535611392 [0,1,0,1,0,0|2,0,0]=4 2445 B8R1.23 CC1CC(C1)C(=O)O MCULE-2185016477 [0,1,0,1,0,0|0,0,2]=4 2446 B8R1.23 CC1CC(N1)C(=O)O MCULE-2803934033 [0,1,0,1,0,0|1,0,1]=4 2447 B8R1.23 C[C@@H]1C[C@H](N1)C(=O)O MCULE-6318758002 [0,1,0,1,0,0|1,0,1]=4 2448 B8R1.23 C[C@H]1C[C@@H](C1)C(=O)O MCULE-1777784731 [0,1,0,1,0,0|0,0,2]=4 2449 B8R1.23 C[C@H]1C[C@H](C1)C(=O)O MCULE-8951813405 [0,1,0,1,0,0|0,0,2]=4 2450 B8R1.23 C[C@H]1C[C@H](N1)C(=O)O MCULE-2969381793 [0,1,0,1,0,0|1,0,1]=4 2451 B8R1.30 CC1CC1(C)C(=O)O MCULE-8330983425 [0,1,0,1,0,0|0,0,2]=4 2452 B8R1.37 CC(=CCN)C1CC1 MCULE-2607605109 [0,1,0,1,0,0|1,0,1]=4 2453 B8R1.37 CC(=CCO)C1CC1 MCULE-3993521534 [0,1,0,1,0,0|0,0,2]=4 2454 B8R1.54 C=C(C(=O)O)C1CC1 MCULE-9531805422 [0,1,0,1,0,0|0,0,2]=4 2455 B8R1.54 CC(=C1CC1)C(=O)O MCULE-5864255450 [0,1,0,1,0,0|0,0,0]=2 2456 B8R1.54 CC(=O)C(=O)C1CC1 MCULE-6206613019 [0,1,0,1,0,0|1,0,1]=4 2457 B8R1.54 CC(=O)C(C)C1CC1 MCULE-9797389889 [0,1,0,1,0,0|0,0,2]=4 2458 B8R1.54 CC(C(=O)O)C1CC1 MCULE-9343385076 [0,1,0,1,0,0|0,0,2]=4 2459 B8R1.54 O=C(O)C(=O)C1CC1 MCULE-2935818452 [0,1,0,1,0,0|1,0,1]=4 2460 B8R1.54 O=C([O-])C(=O)C1CC1 MCULE-3173453359 [0,1,0,1,0,0|1,0,1]=4 2461 B8R1.78 CC(=O)C1(CCC1)C MCULE-7668067765 [0,1,0,1,0,0|0,0,2]=4 2462 B8R1.78 CC1(CCC1)C(=O)Cl MCULE-4438397604 [0,1,0,1,0,0|0,0,2]=4 2463 B8R1.78 CC1(CCC1)C(=O)O MCULE-8539228760 [0,1,0,1,0,0|0,0,2]=4 2464 B8R1.78 CC1(CCO1)C(=O)O MCULE-3206195959 [0,1,0,1,0,0|1,0,1]=4 2465 B8R1.78 C[C@@]1(CCO1)C(=O)O MCULE-1153504060 [0,1,0,1,0,0|1,0,1]=4 2466 B8R1.6 CCCC1CC(=O)C1 MCULE-8820429798 [0,1,0,1,0,0|0,0,2]=4 2467 B8R1.8 CCC=C1CCNC1 MCULE-9512609772 [0,1,0,1,0,0|1,0,1]=4 2468 B8R1.8 N#CC=C1CCCC1 MCULE-5651918690 [0,1,0,1,0,0|1,0,1]=4 2469 B8R1.8 N#CCC1=CCCC1 MCULE-6127163874 [0,1,0,1,0,0|1,0,1]=4 2470 B8R1.8 O=CCC1CCCC1 MCULE-1337960294 [0,1,0,1,0,0|0,0,2]=4 2471 B8R1.8 O=CCN1CCCC1 MCULE-4391534239 [0,1,0,1,0,0|1,0,1]=4 2472 B8R1.8 O=CNC1CCCC1 MCULE-1453368274 [0,1,0,1,0,0|0,0,2]=4 2473 B8R1.11 C(=O)C1=CNN=C1C MCULE-3491224580 [0,1,0,1,0,0|2,0,0]=4 2474 B8R1.11 C=CN1CCCC1=O MCULE-3025814103 [0,1,0,1,0,0|2,0,0]=4 2475 B8R1.11 CC1=C(C=CO1)C=O MCULE-3756016050 [0,1,0,1,0,0|1,0,1]=4 2476 B8R1.11 CC1=C(C=CO1)CN MCULE-5251282165 [0,1,0,1,0,0|2,0,0]=4 2477 B8R1.11 CC1=C(C=CO1)CO MCULE-7321265649 [0,1,0,1,0,0|2,0,0]=4 2478 B8R1.11 CC1=C(C=CS1)C=O MCULE-6448646967 [0,1,0,1,0,0|1,0,1]=4 2479 B8R1.11 CC1=C(C=NO1)C=O MCULE-4524941364 [0,1,0,1,0,0|2,0,0]=4 2480 B8R1.11 CC1=C(C=NS1)C=O MCULE-6399882085 [0,1,0,1,0,0|2,0,0]=4 2481 B8R1.11 CC1=C(N=CN1)CBr MCULE-1489460179 [0,1,0,1,0,0|2,0,0]=4 2482 B8R1.11 CC1=C(N=CN1)CBr MCULE-4160888967 [0,1,0,1,0,0|2,0,0]=4 2483 B8R1.11 CC1=C(N=CN1)CN MCULE-5971072257 [0,1,0,1,0,0|2,0,0]=4 2484 B8R1.11 CC1=C(N=CN1)CN MCULE-8188913844 [0,1,0,1,0,0|2,0,0]=4 2485 B8R1.11 CC1=C(N=CN1)CO MCULE-7467912332 [0,1,0,1,0,0|2,0,0]=4 2486 B8R1.11 CC1=C(N=CN1)CO MCULE-9125658618 [0,1,0,1,0,0|2,0,0]=4 2487 B8R1.11 CC1=C(N=CO1)CCl MCULE-6096725964 [0,1,0,1,0,0|2,0,0]=4 2488 B8R1.11 CC1=C(N=CO1)CN MCULE-8331458097 [0,1,0,1,0,0|2,0,0]=4 2489 B8R1.11 CC1=C(N=CO1)CN MCULE-8561223015 [0,1,0,1,0,0|2,0,0]=4 2490 B8R1.11 CC1=C(N=CO1)CO MCULE-8020948211 [0,1,0,1,0,0|2,0,0]=4 2491 B8R1.11 CC1=C(N=CS1)CCl MCULE-3214164077 [0,1,0,1,0,0|2,0,0]=4 2492 B8R1.11 CC1=C(N=CS1)CCl MCULE-3245244162 [0,1,0,1,0,0|2,0,0]=4 2493 B8R1.11 CC1=C(N=CS1)CO MCULE-2982672518 [0,1,0,1,0,0|2,0,0]=4 2494 B8R1.11 CC1=C(N=CS1)CO MCULE-4568550982 [0,1,0,1,0,0|2,0,0]=4 2495 B8R1.11 CC1=C(NC=C1)C=O MCULE-5439756968 [0,1,0,1,0,0|1,0,1]=4 2496 B8R1.11 CC1=C(NC=N1)CCl MCULE-3368094983 [0,1,0,1,0,0|2,0,0]=4 2497 B8R1.11 CC1=C(NC=N1)CCl MCULE-8407139833 [0,1,0,1,0,0|2,0,0]=4 2498 B8R1.11 CC1=C(NC=N1)CN MCULE-9771052889 [0,1,0,1,0,0|2,0,0]=4 2499 B8R1.11 CC1=C(NN=C1)C=O MCULE-2538988412 [0,1,0,1,0,0|2,0,0]=4 2500 B8R1.11 CC1=C(NN=C1)CCl MCULE-7764036891 [0,1,0,1,0,0|2,0,0]=4 2501 B8R1.11 CC1=C(NN=C1)CN MCULE-3627124579 [0,1,0,1,0,0|2,0,0]=4 2502 B8R1.11 CC1=C(NN=C1)CN MCULE-8727611338 [0,1,0,1,0,0|2,0,0]=4 2503 B8R1.11 CC1=C(OC=C1)C=O MCULE-1514039689 [0,1,0,1,0,0|1,0,1]=4 2504 B8R1.11 CC1=C(OC=C1)CN MCULE-2352949047 [0,1,0,1,0,0|1,0,1]=4 2505 B8R1.11 CC1=C(OC=C1)CO MCULE-9104455772 [0,1,0,1,0,0|1,0,1]=4 2506 B8R1.11 CC1=C(OC=C1)CS MCULE-7578747384 [0,1,0,1,0,0|1,0,1]=4 2507 B8R1.11 CC1=C(OC=N1)CCl MCULE-4144361759 [0,1,0,1,0,0|1,0,1]=4 2508 B8R1.11 CC1=C(OC=N1)CCl MCULE-8896570243 [0,1,0,1,0,0|1,0,1]=4 2509 B8R1.11 CC1=C(OC=N1)CN MCULE-5667101174 [0,1,0,1,0,0|1,0,1]=4 2510 B8R1.11 CC1=C(OC=N1)CN MCULE-9154034110 [0,1,0,1,0,0|1,0,1]=4 2511 B8R1.11 CC1=C(OC=N1)CO MCULE-8507417332 [0,1,0,1,0,0|1,0,1]=4 2512 B8R1.11 CC1=C(ON=C1)CBr MCULE-6145834992 [0,1,0,1,0,0|1,0,1]=4 2513 B8R1.11 CC1=C(ON=C1)CCl MCULE-2681285904 [0,1,0,1,0,0|1,0,1]=4 2514 B8R1.11 CC1=C(ON=C1)CO MCULE-9009924402 [0,1,0,1,0,0|1,0,1]=4 2515 B8R1.11 CC1=C(SC=C1)C=O MCULE-6154045034 [0,1,0,1,0,0|1,0,1]=4 2516 B8R1.11 CC1=C(SC=C1)CBr MCULE-2931813517 [0,1,0,1,0,0|1,1,0]=4 2517 B8R1.11 CC1=C(SC=C1)CCl MCULE-4483197056 [0,1,0,1,0,0|1,1,0]=4 2518 B8R1.11 CC1=C(SC=C1)CN MCULE-1604454057 [0,1,0,1,0,0|1,1,0]=4 2519 B8R1.11 CC1=C(SC=C1)CN MCULE-2693055075 [0,1,0,1,0,0|1,1,0]=4 2520 B8R1.11 CC1=C(SC=C1)CO MCULE-6139465194 [0,1,0,1,0,0|1,1,0]=4 2521 B8R1.11 CC1=C(SC=N1)CBr MCULE-4798729225 [0,1,0,1,0,0|1,1,0]=4 2522 B8R1.11 CC1=C(SC=N1)CBr MCULE-8676977457 [0,1,0,1,0,0|1,1,0]=4 2523 B8R1.11 CC1=C(SC=N1)CCl MCULE-3210671264 [0,1,0,1,0,0|1,1,0]=4 2524 B8R1.11 CC1=C(SC=N1)CCl MCULE-8775106373 [0,1,0,1,0,0|1,1,0]=4 2525 B8R1.11 CC1=C(SC=N1)CN MCULE-1930242587 [0,1,0,1,0,0|1,1,0]=4 2526 B8R1.11 CC1=C(SC=N1)CN MCULE-5944671149 [0,1,0,1,0,0|1,1,0]=4 2527 B8R1.11 CC1=C(SC=N1)CO MCULE-1920274475 [0,1,0,1,0,0|1,1,0]=4 2528 B8R1.11 CC1=C(SN=C1)C=O MCULE-8866340084 [0,1,0,1,0,0|2,0,0]=4 2529 B8R1.11 CC1=CNN=C1C=O MCULE-3810518670 [0,1,0,1,0,0|2,0,0]=4 2530 B8R1.11 CC1=CNN=C1CCl MCULE-3577505970 [0,1,0,1,0,0|2,0,0]=4 2531 B8R1.11 CC1=CNN=C1CO MCULE-7216504383 [0,1,0,1,0,0|2,0,0]=4 2532 B8R1.11 CC1=CON=C1C=O MCULE-9581415290 [0,1,0,1,0,0|2,0,0]=4 2533 B8R1.11 CC1=CON=C1CBr MCULE-7344487355 [0,1,0,1,0,0|1,0,1]=4 2534 B8R1.11 CC1=CON=C1CCl MCULE-5871325143 [0,1,0,1,0,0|1,0,1]=4 2535 B8R1.11 CC1=CON=C1CN MCULE-1208903290 [0,1,0,1,0,0|1,0,1]=4 2536 B8R1.11 CC1=CON=C1CO MCULE-5450435187 [0,1,0,1,0,0|1,0,1]=4 2537 B8R1.11 CC1=CSC=C1C=O MCULE-5921118381 [0,1,0,1,0,0|1,0,1]=4 2538 B8R1.11 CC1=CSC=C1CBr MCULE-5591024603 [0,1,0,1,0,0|1,1,0]=4 2539 B8R1.11 CC1=CSC=C1CN MCULE-2366679132 [0,1,0,1,0,0|1,1,0]=4 2540 B8R1.11 CC1=CSC=C1CO MCULE-2002799846 [0,1,0,1,0,0|1,1,0]=4 2541 B8R1.11 CC1=NNC=C1C=O MCULE-4695510996 [0,1,0,1,0,0|2,0,0]=4 2542 B8R1.11 CC1=NOC=C1C=O MCULE-7737800065 [0,1,0,1,0,0|2,0,0]=4 2543 B8R1.11 CC1=NSC=C1C=O MCULE-6060853192 [0,1,0,1,0,0|2,0,0]=4 2544 B8R1.11 CC1OCCC1C=O MCULE-5505705817 [0,1,0,1,0,0|1,0,1]=4 2545 B8R1.11 CCC1=C(C=NN1)N MCULE-5439051859 [0,1,0,1,0,0|2,0,0]=4 2546 B8R1.11 CCC1=C(C=NO1)Br MCULE-6911530291 [0,1,0,1,0,0|1,0,1]=4 2547 B8R1.11 CCC1=C(C=NO1)I MCULE-3920858112 [0,1,0,1,0,0|1,0,1]=4 2548 B8R1.11 CCC1=C(C=NO1)N MCULE-1961693700 [0,1,0,1,0,0|1,0,1]=4 2549 B8R1.11 CCC1=C(C=NO1)N MCULE-4676999082 [0,1,0,1,0,0|1,0,1]=4 2550 B8R1.11 CCC1=C(N=CS1)C MCULE-8495277849 [0,1,0,1,0,0|0,1,0]=3 2551 B8R1.11 CCC1=C(SC=C1)Br MCULE-6065514127 [0,1,0,1,0,0|2,0,0]=4 2552 B8R1.11 CCC1=C(SC=C1)Cl MCULE-6157414652 [0,1,0,1,0,0|2,0,0]=4 2553 B8R1.11 CCC1=C(SC=C1)N MCULE-4451604839 [0,1,0,1,0,0|2,0,0]=4 2554 B8R1.11 CCC1=C(SC=N1)N MCULE-2343057802 [0,1,0,1,0,0|2,0,0]=4 2555 B8R1.11 CCC1=CC=NN1C MCULE-6807072345 [0,1,0,1,0,0|2,0,0]=4 2556 B8R1.11 CCC1=CN=CN1C MCULE-6470580705 [0,1,0,1,0,0|2,0,0]=4 2557 B8R1.11 CCC1=CNN=C1C MCULE-7215089634 [0,1,0,1,0,0|2,0,0]=4 2558 B8R1.11 CCC1=CSC=C1Br MCULE-1301118926 [0,1,0,1,0,0|1,1,0]=4 2559 B8R1.11 CCC1=NNC=C1Br MCULE-3949240452 [0,1,0,1,0,0|2,0,0]=4 2560 B8R1.11 CCC1=NNC=C1C MCULE-2382281281 [0,1,0,1,0,0|1,0,0]=3 2561 B8R1.11 CCC1=NNC=C1C MCULE-6447005450 [0,1,0,1,0,0|1,0,0]=3 2562 B8R1.11 CCC1=NNC=C1I MCULE-4982314019 [0,1,0,1,0,0|2,0,0]=4 2563 B8R1.11 CCC1=NOC=C1N MCULE-7444907456 [0,1,0,1,0,0|1,0,1]=4 2564 B8R1.11 CCC1CCCC1=O MCULE-1884299455 [0,1,0,1,0,0|0,0,2]=4 2565 B8R1.11 CCN1C=CN=C1C MCULE-5943654351 [0,1,0,1,0,0|2,0,0]=4 2566 B8R1.11 CCN1C=NC=C1C MCULE-5010495596 [0,1,0,1,0,0|2,0,0]=4 2567 B8R1.11 CCN1CCCC1=O MCULE-7206309773 [0,1,0,1,0,0|1,0,1]=4 2568 B8R1.11 CCN1CCCC1=O MCULE-7415495937 [0,1,0,1,0,0|1,0,1]=4 2569 B8R1.11 CCN1N=CC=C1C MCULE-7029406332 [0,1,0,1,0,0|2,0,0]=4 2570 B8R1.11 CN1C=CC=C1C=O MCULE-6257317045 [0,1,0,1,0,0|0,0,2]=4 2571 B8R1.11 CN1C=NC=C1C=O MCULE-4444133297 [0,1,0,1,0,0|1,0,1]=4 2572 B8R1.11 CN1CCC[C@H]1C=O MCULE-5852490757 [0,1,0,1,0,0|0,0,2]=4 2573 B8R1.11 CN1N=CC=C1C=O MCULE-9719887404 [0,1,0,1,0,0|1,0,1]=4 2574 B8R1.11 CN1N=NC=C1C=O MCULE-9536514607 [0,1,0,1,0,0|2,0,0]=4 2575 B8R1.11 COC1=CCCC1=O MCULE-2849263860 [0,1,0,1,0,0|0,0,0]=2 2576 B8R1.11 COC1CCCC1=O MCULE-2741778082 [0,1,0,1,0,0|0,0,2]=4 2577 B8R1.11 CSC1=C(C=CS1)C MCULE-9004032312 [0,1,0,1,0,0|1,1,0]=4 2578 B8R1.11 CSC1=C(OC=C1)C MCULE-7593219687 [0,1,0,1,0,0|2,0,0]=4 2579 B8R1.11 N#CC1=C(CCC1)N MCULE-8457887126 [0,1,0,1,0,0|1,0,1]=4 2580 B8R1.11 N#CC1=C(CCC1)O MCULE-3061739573 [0,1,0,1,0,0|1,0,1]=4 2581 B8R1.11 NCC1CCCC1=O MCULE-4144323636 [0,1,0,1,0,0|0,0,2]=4 2582 B8R1.11 NCC1CCCC1=O MCULE-8761719757 [0,1,0,1,0,0|0,0,2]=4 2583 B8R1.11 O=C1CCC=C1CO MCULE-5949194155 [0,1,0,1,0,0|0,0,0]=2 2584 B8R1.11 O=C1CCCC1CO MCULE-9171970685 [0,1,0,1,0,0|0,0,2]=4 2585 B8R1.11 O=C1CCCN1CBr MCULE-1337183945 [0,1,0,1,0,0|1,0,1]=4 2586 B8R1.11 O=C1CCCN1CCl MCULE-6204630639 [0,1,0,1,0,0|1,0,1]=4 2587 B8R1.11 O=C1CCCN1CO MCULE-6508920438 [0,1,0,1,0,0|1,0,1]=4 2588 B8R1.11 O=CC1=C(CCC1)Cl MCULE-2468041387 [0,1,0,1,0,0|0,0,0]=2 2589 B8R1.11 O=CC1CCOC1=O MCULE-6358043470 [0,1,0,1,0,0|1,0,1]=4 2590 B8R1.11 O=CN1CCCC1=O MCULE-1097328464 [0,1,0,1,0,0|1,0,0]=3 2591 B8R1.66 CC1(CCC1)CC=O MCULE-3985449159 [0,1,0,1,0,0|0,0,2]=4 2592 B8R1.25 O=C1C(=O)C(C1=O)O MCULE-5071661514 [0,1,0,1,0,0|2,0,0]=4 2593 B8R1.33 COC(C=O)C1CC1 MCULE-3422346780 [0,1,0,1,0,0|0,0,2]=4 2594 B8R1.60 CSC1(CCC1)C=O MCULE-8595554657 [0,1,0,1,0,0|0,0,2]=4 2595 B8R2.4 O=C1CC2CC1C2 MCULE-5372379094 [0,0,0,2,0,0|0,0,2]=4 2596 B8R2.38 O=C1CCC2C1C2 MCULE-4714285285 [0,0,0,2,0,0|0,0,2]=4 2597 B8R2.38 O=C1CC[C@@H]2[C@H]1C2 MCULE-7728867768 [0,0,0,2,0,0|0,0,2]=4 2598 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-1007541778 [0,0,0,2,0,0|0,0,2]=4 2599 B8R2.38 O=C1CC[C@H]2[C@@H]1C2 MCULE-8077752466 [0,0,0,2,0,0|0,0,2]=4 2600 B8R2.20 O=CC1CC12CC2 MCULE-5535235428 [0,0,0,2,0,0|0,0,2]=4 2601 B8R2.31 O=CC12CC(C1)C2 MCULE-6981585726 [0,0,0,2,0,0|0,0,2]=4