0 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C/C(=C/C#N)/N MCULE-2195544039 [0,0,0,0,0,0|3,0,1]=4 2 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,0,0,0,0,0|1,0,1]=2 7 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,0,0,0,0,0|2,0,1]=3 10 B5R0.1 C/C=C/C(C)C MCULE-8705863155 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 C/C=C/C(C)O MCULE-3191147789 [0,0,0,0,0,0|1,0,3]=4 12 B5R0.1 C=C(C)CCBr MCULE-3439794005 [0,0,0,0,0,0|3,0,1]=4 13 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,0,0,0,0,0|2,0,2]=4 14 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,0,0,0,0,0|3,0,1]=4 15 B5R0.1 C=C(C)CCI MCULE-6317205481 [0,0,0,0,0,0|3,0,1]=4 16 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,0,0,0,0,0|3,0,1]=4 17 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,0,0,0,0,0|3,0,1]=4 20 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 C=C(C)CON MCULE-2773974323 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 C=C(C)CON MCULE-5978680243 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,0,0,0,0,0|1,0,2]=3 25 B5R0.1 C=CC=C(C)C MCULE-7590870659 [0,0,0,0,0,0|2,0,0]=2 26 B5R0.1 C=CC=C(Cl)Cl MCULE-3787858961 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 C=CCB(O)O MCULE-2306600658 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 C=CCC(=C)C MCULE-6294070836 [0,0,0,0,0,0|2,0,0]=2 29 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,0,0,0,0,0|3,0,0]=3 30 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [0,0,0,0,0,0|2,0,0]=2 31 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,0,0,0,0,0|2,0,0]=2 32 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,0,0,0,0,0|2,0,0]=2 33 B5R0.1 C=CCC(C)Br MCULE-5638987302 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 C=CCC(C)C MCULE-4586731422 [0,0,0,0,0,0|2,0,1]=3 35 B5R0.1 C=CCC(C)N MCULE-5354228552 [0,0,0,0,0,0|2,0,1]=3 36 B5R0.1 C=CCC(C)N MCULE-9454660067 [0,0,0,0,0,0|2,0,1]=3 37 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,0,0,0,0,0|1,0,2]=3 38 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,0,0,0,0,0|1,0,2]=3 39 B5R0.1 C=CCN(C)C MCULE-6958853335 [0,0,0,0,0,0|3,0,0]=3 40 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,0,0,0,0,0|1,0,2]=3 41 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,0,0,0,0,0|1,0,2]=3 42 B5R0.1 C=CC[C@H](C)N MCULE-2398654329 [0,0,0,0,0,0|2,0,1]=3 43 B5R0.1 C=CC[C@H](C)N MCULE-5817451810 [0,0,0,0,0,0|2,0,1]=3 44 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,0,0,0,0,0|1,0,2]=3 45 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,0,0,0,0,0|1,0,2]=3 46 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,0,0,0,0,0|1,0,0]=1 47 B5R0.1 C=CNC(=O)N MCULE-4235216182 [0,0,0,0,0,0|2,0,0]=2 48 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,0,0,0,0,0|0,0,0]=0 49 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [0,0,0,0,0,0|1,0,0]=1 50 B5R0.1 C=COC(C)C MCULE-6339383821 [0,0,0,0,0,0|1,0,1]=2 51 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [0,0,0,0,0,0|2,0,0]=2 52 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,0,0,0,0,0|3,0,0]=3 53 B5R0.1 C=NCC(=S)N MCULE-6261527142 [0,0,0,0,0,0|3,1,0]=4 54 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,0,0,0,0,0|1,0,2]=3 55 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [0,0,0,0,0,0|2,0,2]=4 56 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,0,0,0,0,0|2,0,2]=4 57 B5R0.1 CC(=CC#N)C MCULE-7179601066 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.1 CC(=CC#N)N MCULE-7342293837 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.1 CC(=CC=O)C MCULE-7002222435 [0,0,0,0,0,0|3,0,0]=3 60 B5R0.1 CC(=CC=O)Cl MCULE-2279693190 [0,0,0,0,0,0|3,0,0]=3 61 B5R0.1 CC(=CC=O)N MCULE-2659507627 [0,0,0,0,0,0|3,0,0]=3 62 B5R0.1 CC(=CCBr)C MCULE-7961276795 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.1 CC(=CCI)I MCULE-4204968539 [0,0,0,0,0,0|3,0,1]=4 66 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,0,0,0,0,0|3,0,1]=4 68 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,0,0,0,0,0|3,0,1]=4 69 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,0,0,0,0,0|3,0,1]=4 70 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,0,0,0,0,0|3,0,1]=4 71 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,0,0,0,0,0|3,0,1]=4 72 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,0,0,0,0,0|3,0,1]=4 73 B5R0.1 CC(=CCS)C MCULE-4180446913 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.1 CC(=N)NC#N MCULE-7065360421 [0,0,0,0,0,0|3,0,1]=4 75 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,0,0,0,0,0|3,0,0]=3 76 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,0,0,0,0,0|2,0,1]=3 78 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,0,0,0,0,0|2,0,1]=3 80 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,0,0,0,0,0|2,0,1]=3 81 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,0,0,0,0,0|2,0,1]=3 82 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,0,0,0,0,0|2,0,1]=3 83 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,0,0,0,0,0|2,0,1]=3 84 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,0,0,0,0,0|2,0,1]=3 85 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [0,0,0,0,0,0|2,0,1]=3 86 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [0,0,0,0,0,0|3,0,0]=3 87 B5R0.1 CC(=O)NC#N MCULE-8444599659 [0,0,0,0,0,0|2,0,1]=3 88 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,0,0,0,0,0|2,0,1]=3 89 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,0,0,0,0,0|1,0,1]=2 90 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,0,0,0,0,0|1,0,1]=2 91 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,0,0,0,0,0|1,1,1]=3 92 B5R0.1 CC(C)CC=O MCULE-2939497534 [0,0,0,0,0,0|3,0,1]=4 93 B5R0.1 CC(C)NC=O MCULE-1764010394 [0,0,0,0,0,0|3,0,1]=4 94 B5R0.1 CC(C)OC=O MCULE-8263698122 [0,0,0,0,0,0|2,0,1]=3 95 B5R0.1 CC(C)OCCl MCULE-3680602217 [0,0,0,0,0,0|2,0,2]=4 96 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,0,0,0,0,0|1,0,1]=2 97 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,0,0,0,0,0|2,0,1]=3 98 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,0,0,0,0,0|2,0,1]=3 99 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,0,0,0,0,0|2,0,1]=3 100 B5R0.1 CC=CC(C)C MCULE-9898453837 [0,0,0,0,0,0|2,0,2]=4 101 B5R0.1 CC=CC(C)O MCULE-4806592836 [0,0,0,0,0,0|1,0,3]=4 102 B5R0.1 CC=C[N+](=O)[O-] MCULE-2987135481 [0,0,0,0,0,0|3,0,1]=4 103 B5R0.1 CC=NN(C)C MCULE-7039280578 [0,0,0,0,0,0|3,0,1]=4 104 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,0,0,0,0,0|2,0,2]=4 105 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,0,0,0,0,0|1,0,2]=3 106 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,0,0,0,0,0|2,0,2]=4 107 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,0,0,0,0,0|2,0,2]=4 108 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,0,0,0,0,0|2,0,2]=4 109 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,0,0,0,0,0|2,0,2]=4 110 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,0,0,0,0,0|2,0,2]=4 111 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,0,0,0,0,0|1,0,2]=3 112 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,0,0,0,0,0|2,0,2]=4 113 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,0,0,0,0,0|2,0,2]=4 114 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,0,0,0,0,0|1,0,2]=3 115 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,0,0,0,0,0|1,0,2]=3 116 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,0,0,0,0,0|2,0,2]=4 117 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,0,0,0,0,0|2,0,2]=4 118 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,0,0,0,0,0|0,0,2]=2 119 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,0,0,0,0,0|1,0,2]=3 120 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,0,0,0,0,0|1,0,2]=3 121 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,0,0,0,0,0|0,1,2]=3 122 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,0,0,0,0,0|1,1,2]=4 123 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [0,0,0,0,0,0|1,1,2]=4 124 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [0,0,0,0,0,0|1,1,2]=4 125 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [0,0,0,0,0,0|1,1,2]=4 126 B5R0.1 CCOC(C)C MCULE-1934548340 [0,0,0,0,0,0|1,0,3]=4 127 B5R0.1 CCOC(C)Cl MCULE-8486994638 [0,0,0,0,0,0|1,0,3]=4 128 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,0,0,0,0,0|0,1,2]=3 129 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,0,0,0,0,0|0,2,2]=4 130 B5R0.1 CN(C)CC=O MCULE-1229218563 [0,0,0,0,0,0|4,0,0]=4 131 B5R0.1 CN(C)CC=O MCULE-3577561950 [0,0,0,0,0,0|4,0,0]=4 132 B5R0.1 CN(C)CC=O MCULE-4493766862 [0,0,0,0,0,0|4,0,0]=4 133 B5R0.1 CN(C)CC=O MCULE-8123455398 [0,0,0,0,0,0|4,0,0]=4 134 B5R0.1 CN(C)NC=O MCULE-1557896286 [0,0,0,0,0,0|4,0,0]=4 135 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,0,0,0,0,0|2,0,1]=3 136 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,0,0,0,0,0|2,0,1]=3 137 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,0,0,0,0,0|3,0,1]=4 138 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,0,0,0,0,0|3,0,1]=4 139 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,0,0,0,0,0|3,0,1]=4 140 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,0,0,0,0,0|3,0,1]=4 141 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,0,0,0,0,0|3,0,1]=4 142 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,0,0,0,0,0|3,0,1]=4 143 B5R0.1 CNN=C(C)C MCULE-6307375856 [0,0,0,0,0,0|3,0,1]=4 144 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,0,0,0,0,0|1,0,1]=2 145 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,0,0,0,0,0|1,0,1]=2 146 B5R0.1 COC=C(C)C MCULE-6348538911 [0,0,0,0,0,0|3,0,1]=4 147 B5R0.1 COCC(=O)C MCULE-7262197587 [0,0,0,0,0,0|2,0,1]=3 148 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,0,0,0,0,0|3,0,1]=4 149 B5R0.1 COCC(=O)N MCULE-6674958132 [0,0,0,0,0,0|3,0,1]=4 150 B5R0.1 COCC(=O)O MCULE-3945589151 [0,0,0,0,0,0|3,0,1]=4 151 B5R0.1 CONC(=O)C MCULE-6601866630 [0,0,0,0,0,0|2,0,1]=3 152 B5R0.1 CONC(=O)N MCULE-3063713861 [0,0,0,0,0,0|3,0,1]=4 153 B5R0.1 CONC(=S)C MCULE-1876042939 [0,0,0,0,0,0|2,1,1]=4 154 B5R0.1 CS(=O)CC#N MCULE-1246621507 [0,0,0,0,0,0|3,0,1]=4 155 B5R0.1 CS(=O)CCBr MCULE-7846126230 [0,0,0,0,0,0|3,0,1]=4 156 B5R0.1 CS(=O)CCCl MCULE-7012781505 [0,0,0,0,0,0|3,0,1]=4 157 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,0,0,0,0,0|3,0,1]=4 158 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,0,0,0,0,0|3,0,1]=4 159 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,0,0,0,0,0|3,0,1]=4 160 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,0,0,0,0,0|3,0,1]=4 161 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,0,0,0,0,0|2,0,1]=3 162 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,0,0,0,0,0|3,0,1]=4 163 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,0,0,0,0,0|3,0,1]=4 164 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,0,0,0,0,0|3,0,1]=4 165 B5R0.1 CSCS(=O)C MCULE-3167702486 [0,0,0,0,0,0|3,0,1]=4 166 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,0,0,0,0,0|2,0,1]=3 167 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,0,0,0,0,0|3,0,1]=4 168 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [0,0,0,0,0,0|3,0,1]=4 169 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,0,0,0,0,0|3,0,1]=4 170 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,0,0,0,0,0|3,0,1]=4 171 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [0,0,0,0,0,0|3,0,1]=4 172 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [0,0,0,0,0,0|3,0,1]=4 173 B5R0.1 N=C(N)NC=O MCULE-2702198735 [0,0,0,0,0,0|4,0,0]=4 174 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [0,0,0,0,0,0|3,0,0]=3 175 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,0,0,0,0,0|4,0,0]=4 176 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,0,0,0,0,0|3,0,1]=4 177 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,0,0,0,0,0|3,0,1]=4 178 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,0,0,0,0,0|3,0,1]=4 179 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,0,0,0,0,0|3,0,1]=4 180 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,0,0,0,0,0|3,0,1]=4 181 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,0,0,0,0,0|4,0,0]=4 182 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,0,0,0,0,0|3,0,1]=4 183 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,0,0,0,0,0|3,0,1]=4 184 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,0,0,0,0,0|3,0,1]=4 185 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,0,0,0,0,0|3,0,1]=4 186 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,0,0,0,0,0|3,0,1]=4 187 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,0,0,0,0,0|3,0,1]=4 188 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,0,0,0,0,0|3,0,1]=4 189 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,0,0,0,0,0|4,0,0]=4 190 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,0,0,0,0,0|4,0,0]=4 191 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,0,0,0,0,0|4,0,0]=4 192 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,0,0,0,0,0|4,0,0]=4 193 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,0,0,0,0,0|4,0,0]=4 194 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,0,0,0,0,0|4,0,0]=4 195 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,0,0,0,0,0|4,0,0]=4 196 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [0,0,0,0,0,0|3,0,0]=3 197 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,0,0,0,0,0|3,0,1]=4 198 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,0,0,0,0,0|3,0,1]=4 199 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,0,0,0,0,0|3,0,1]=4 200 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,0,0,0,0,0|2,0,1]=3 201 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,0,0,0,0,0|3,0,0]=3 202 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [0,0,0,0,0,0|3,0,0]=3 203 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [0,0,0,0,0,0|3,0,0]=3 204 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,0,0,0,0,0|3,0,0]=3 205 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [0,0,0,0,0,0|3,0,0]=3 206 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [0,0,0,0,0,0|3,0,0]=3 207 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,0,0,0,0,0|4,0,0]=4 208 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,0,0,0,0,0|3,0,1]=4 209 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,0,0,0,0,0|3,0,0]=3 210 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [0,0,0,0,0,0|3,0,0]=3 211 B5R0.1 O=C(O)C=CI MCULE-7162332129 [0,0,0,0,0,0|3,0,0]=3 212 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,0,0,0,0,0|4,0,0]=4 213 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,0,0,0,0,0|3,0,1]=4 214 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,0,0,0,0,0|3,0,1]=4 215 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,0,0,0,0,0|3,0,1]=4 216 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,0,0,0,0,0|3,0,1]=4 217 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,0,0,0,0,0|3,0,1]=4 218 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,0,0,0,0,0|3,0,1]=4 219 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,0,0,0,0,0|4,0,0]=4 220 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [0,0,0,0,0,0|3,0,1]=4 221 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [0,0,0,0,0,0|3,0,1]=4 222 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [0,0,0,0,0,0|3,0,0]=3 223 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,0,0,0,0,0|3,0,1]=4 224 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [0,0,0,0,0,0|3,0,1]=4 225 B4R0.1 BrC=C(Br)Br MCULE-9536958233 [1,0,0,0,0,0|3,0,0]=4 226 B4R0.1 C#CC(=C)C MCULE-6826835331 [1,0,0,0,0,0|1,0,2]=4 227 B4R0.1 C#CC(=O)C MCULE-1296030711 [1,0,0,0,0,0|0,0,2]=3 228 B4R0.1 C#CC(=O)N MCULE-1832868146 [1,0,0,0,0,0|1,0,2]=4 229 B4R0.1 C#CC(=O)O MCULE-8764256624 [1,0,0,0,0,0|1,0,2]=4 230 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [1,0,0,0,0,0|1,0,2]=4 231 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [1,0,0,0,0,0|1,0,2]=4 232 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,0,0,0,0,0|3,0,0]=4 233 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,0,0,0,0,0|3,0,0]=4 234 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,0,0,0,0|1,0,1]=3 235 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,0,0,0,0|1,0,1]=3 236 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,0,0,0,0|1,0,1]=3 237 B4R0.1 C=C(Br)C=O MCULE-9500973388 [1,0,0,0,0,0|2,0,1]=4 238 B4R0.1 C=C(C)C#N MCULE-9177849910 [1,0,0,0,0,0|2,0,1]=4 239 B4R0.1 C=C(C)C=O MCULE-3758355501 [1,0,0,0,0,0|2,0,0]=3 240 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,0,0,0,0|2,0,1]=4 241 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,0,0,0,0|2,0,1]=4 242 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,0,0,0,0|2,0,1]=4 243 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,0,0,0,0|2,0,1]=4 244 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,0,0,0,0|2,0,1]=4 245 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|2,0,1]=4 246 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,0,0,0,0|2,0,1]=4 247 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,0,0,0,0|1,0,1]=3 248 B4R0.1 C=C=C(C)C MCULE-8705186354 [1,0,0,0,0,0|1,0,1]=3 249 B4R0.1 C=CB(O)O MCULE-2531600001 [1,0,0,0,0,0|2,0,1]=4 250 B4R0.1 C=CC(=C)C MCULE-1668999564 [1,0,0,0,0,0|1,0,0]=2 251 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,0,0,0,0|0,0,0]=1 252 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [1,0,0,0,0,0|1,0,0]=2 253 B4R0.1 C=CC(=O)N MCULE-4309430654 [1,0,0,0,0,0|1,0,0]=2 254 B4R0.1 C=CC(=O)O MCULE-9352227082 [1,0,0,0,0,0|1,0,0]=2 255 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [1,0,0,0,0,0|1,0,0]=2 256 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [1,0,0,0,0,0|1,0,0]=2 257 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [1,0,0,0,0,0|1,0,0]=2 258 B4R0.1 C=CC(C)Cl MCULE-1756172983 [1,0,0,0,0,0|1,0,1]=3 259 B4R0.1 C=CC(C)N MCULE-5748048106 [1,0,0,0,0,0|1,0,1]=3 260 B4R0.1 C=CC(C)N MCULE-6786590923 [1,0,0,0,0,0|1,0,1]=3 261 B4R0.1 C=CC(C)O MCULE-4525368256 [1,0,0,0,0,0|0,0,2]=3 262 B4R0.1 C=CN(=O)=O MCULE-1988475489 [1,0,0,0,0,0|2,0,0]=3 263 B4R0.1 C=C[C@@H](C)N MCULE-4388444035 [1,0,0,0,0,0|1,0,1]=3 264 B4R0.1 C=C[C@@H](C)N MCULE-6107415849 [1,0,0,0,0,0|1,0,1]=3 265 B4R0.1 C=C[C@@H](C)N MCULE-6707490046 [1,0,0,0,0,0|1,0,1]=3 266 B4R0.1 C=C[C@@H](C)N MCULE-9654995108 [1,0,0,0,0,0|1,0,1]=3 267 B4R0.1 C=C[C@H](C)N MCULE-1396113041 [1,0,0,0,0,0|1,0,1]=3 268 B4R0.1 C=C[C@H](C)N MCULE-2197513722 [1,0,0,0,0,0|1,0,1]=3 269 B4R0.1 C=C[C@H](C)N MCULE-4698235480 [1,0,0,0,0,0|1,0,1]=3 270 B4R0.1 C=C[C@H](C)N MCULE-8745929233 [1,0,0,0,0,0|1,0,1]=3 271 B4R0.1 C=C[C@H](C)O MCULE-2251589245 [1,0,0,0,0,0|0,0,2]=3 272 B4R0.1 C=NN(C)C MCULE-4915917395 [1,0,0,0,0,0|3,0,0]=4 273 B4R0.1 CC(=CBr)C MCULE-9508381610 [1,0,0,0,0,0|2,0,0]=3 274 B4R0.1 CC(=CCl)C MCULE-4321554138 [1,0,0,0,0,0|2,0,0]=3 275 B4R0.1 CC(=CCl)Cl MCULE-3528888685 [1,0,0,0,0,0|2,0,0]=3 276 B4R0.1 CC(=N)NN MCULE-2302306720 [1,0,0,0,0,0|3,0,0]=4 277 B4R0.1 CC(=N)NN MCULE-5362481009 [1,0,0,0,0,0|3,0,0]=4 278 B4R0.1 CC(=NN)C MCULE-8828852790 [1,0,0,0,0,0|3,0,0]=4 279 B4R0.1 CC(=NO)C MCULE-3243100216 [1,0,0,0,0,0|3,0,0]=4 280 B4R0.1 CC(=O)C#N MCULE-6317771757 [1,0,0,0,0,0|1,0,1]=3 281 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,0,0,0,0|1,0,0]=2 282 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|1,0,1]=3 283 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|1,0,1]=3 284 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|1,0,1]=3 285 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|1,0,1]=3 286 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|1,0,1]=3 287 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|1,0,1]=3 288 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|1,0,1]=3 289 B4R0.1 CC(=O)NBr MCULE-6502070876 [1,0,0,0,0,0|2,0,0]=3 290 B4R0.1 CC(=O)NN MCULE-9183467120 [1,0,0,0,0,0|2,0,0]=3 291 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|2,0,0]=3 292 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|1,0,0]=2 293 B4R0.1 CC(Br)C=O MCULE-6060704330 [1,0,0,0,0,0|2,0,1]=4 294 B4R0.1 CC(C)C=O MCULE-3575731904 [1,0,0,0,0,0|2,0,1]=4 295 B4R0.1 CC(C)ON MCULE-4063407094 [1,0,0,0,0,0|2,0,1]=4 296 B4R0.1 CC(C)ON MCULE-9108231771 [1,0,0,0,0,0|2,0,1]=4 297 B4R0.1 CC(C)O[NH3+] MCULE-7527132972 [1,0,0,0,0,0|2,0,1]=4 298 B4R0.1 CC(C)O[NH3+] MCULE-8847326857 [1,0,0,0,0,0|2,0,1]=4 299 B4R0.1 CC(N)C=O MCULE-3421118418 [1,0,0,0,0,0|2,0,1]=4 300 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,0,0,0,0|1,0,1]=3 301 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,0,0,0,0|1,0,1]=3 302 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,0,0,0,0|1,0,1]=3 303 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [1,0,0,0,0,0|2,0,1]=4 304 B4R0.1 CC=C(F)F MCULE-5544510852 [1,0,0,0,0,0|2,0,1]=4 305 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|1,0,2]=4 306 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|0,0,2]=3 307 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|1,0,2]=4 308 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|1,0,2]=4 309 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|1,0,2]=4 310 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|1,0,2]=4 311 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|1,0,2]=4 312 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|1,0,2]=4 313 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|1,0,2]=4 314 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,0,0,0,0|1,0,2]=4 315 B4R0.1 CN(C)C=O MCULE-6290117712 [1,0,0,0,0,0|3,0,0]=4 316 B4R0.1 CN(C)C=S MCULE-3571847382 [1,0,0,0,0,0|3,0,0]=4 317 B4R0.1 CN(N)C=O MCULE-6353057165 [1,0,0,0,0,0|3,0,0]=4 318 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,0,0,0,0|1,0,1]=3 319 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,0,0,0,0|2,0,1]=4 320 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,0,0,0,0|2,0,1]=4 321 B4R0.1 CNC(=S)C MCULE-8699171591 [1,0,0,0,0,0|1,1,1]=4 322 B4R0.1 COC(=N)C MCULE-2752794913 [1,0,0,0,0,0|1,0,1]=3 323 B4R0.1 COC(=N)C MCULE-2904991083 [1,0,0,0,0,0|1,0,1]=3 324 B4R0.1 COC(=N)N MCULE-1611076737 [1,0,0,0,0,0|2,0,1]=4 325 B4R0.1 COC(=N)N MCULE-4923904579 [1,0,0,0,0,0|2,0,1]=4 326 B4R0.1 COC(=N)N MCULE-6696789855 [1,0,0,0,0,0|2,0,1]=4 327 B4R0.1 COC(=N)N MCULE-9171600210 [1,0,0,0,0,0|2,0,1]=4 328 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,0,0,0,0|0,0,1]=2 329 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,0,0,0,0|1,0,1]=3 330 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,0,0,0,0|1,0,1]=3 331 B4R0.1 COC(=S)N MCULE-9414558443 [1,0,0,0,0,0|1,1,1]=4 332 B4R0.1 COC(=S)[S-] MCULE-4829872223 [1,0,0,0,0,0|1,1,1]=4 333 B4R0.1 COC(=S)[S-] MCULE-6509496630 [1,0,0,0,0,0|1,1,1]=4 334 B4R0.1 COC(C)Cl MCULE-9043930044 [1,0,0,0,0,0|1,0,2]=4 335 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,0,0,0,0|0,1,1]=3 336 B4R0.1 CSC(=S)C MCULE-4836153374 [1,0,0,0,0,0|0,2,1]=4 337 B4R0.1 CSS(=O)C MCULE-6515592458 [1,0,0,0,0,0|1,1,1]=4 338 B4R0.1 C[C@@H](O)C=O MCULE-5921136435 [1,0,0,0,0,0|1,0,2]=4 339 B4R0.1 C[N+](=CBr)C MCULE-4078543172 [1,0,0,0,0,0|3,0,0]=4 340 B4R0.1 C[N+](=CBr)C MCULE-9146783444 [1,0,0,0,0,0|3,0,0]=4 341 B4R0.1 C[N+](=CCl)C MCULE-5768539789 [1,0,0,0,0,0|3,0,0]=4 342 B4R0.1 C[N+](=CCl)C MCULE-6936774679 [1,0,0,0,0,0|3,0,0]=4 343 B4R0.1 ClC=C(Cl)Cl MCULE-3945953656 [1,0,0,0,0,0|3,0,0]=4 344 B4R0.1 FC(=CBr)F MCULE-5114290777 [1,0,0,0,0,0|3,0,0]=4 345 B4R0.1 FC=C(Br)Br MCULE-3150710627 [1,0,0,0,0,0|3,0,0]=4 346 B4R0.1 FC=C(F)F MCULE-2449532887 [1,0,0,0,0,0|3,0,0]=4 347 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|2,0,1]=4 348 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|2,0,1]=4 349 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|2,0,1]=4 350 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|2,0,1]=4 351 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|2,0,1]=4 352 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|2,0,1]=4 353 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,0,0,0,0|3,0,0]=4 354 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|2,0,1]=4 355 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|2,0,1]=4 356 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|2,0,1]=4 357 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|2,0,1]=4 358 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|2,0,1]=4 359 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|2,0,1]=4 360 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|2,0,1]=4 361 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|2,0,1]=4 362 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|2,0,1]=4 363 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|2,0,1]=4 364 B4R0.1 NNC(=O)N MCULE-3392559370 [1,0,0,0,0,0|3,0,0]=4 365 B4R0.1 NNC(=O)N MCULE-8490374775 [1,0,0,0,0,0|3,0,0]=4 366 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|2,0,1]=4 367 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|2,0,1]=4 368 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|2,0,1]=4 369 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|2,0,1]=4 370 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|2,0,1]=4 371 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [1,0,0,0,0,0|2,1,0]=4 372 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|2,0,1]=4 373 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|2,0,1]=4 376 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|2,0,1]=4 377 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|2,0,1]=4 378 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|2,0,1]=4 379 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|2,0,1]=4 380 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|2,0,1]=4 381 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|2,0,1]=4 382 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,0,0,0,0|2,0,0]=3 383 B4R0.2 C#CC=CC MCULE-9741359131 [1,0,0,0,0,0|1,0,2]=4 384 B4R0.2 C#COCC MCULE-1522528824 [1,0,0,0,0,0|0,0,3]=4 385 B4R0.2 C/C=C/C#N MCULE-2754343103 [1,0,0,0,0,0|2,0,1]=4 386 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,0,0,0,0,0|1,0,1]=3 387 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,0,0,0,0,0|2,0,1]=4 388 B4R0.2 C/C=C/CO MCULE-2383161163 [1,0,0,0,0,0|2,0,1]=4 389 B4R0.2 C/C=C/OC MCULE-3906920304 [1,0,0,0,0,0|2,0,1]=4 390 B4R0.2 C/C=C\CO MCULE-5924662327 [1,0,0,0,0,0|2,0,1]=4 391 B4R0.2 C=C=CCC MCULE-6123315571 [1,0,0,0,0,0|1,0,2]=4 392 B4R0.2 C=CC=CC MCULE-4452516287 [1,0,0,0,0,0|1,0,0]=2 393 B4R0.2 C=CCC#N MCULE-2566589348 [1,0,0,0,0,0|2,0,1]=4 394 B4R0.2 C=CCCBr MCULE-2890129103 [1,0,0,0,0,0|2,0,1]=4 395 B4R0.2 C=CCCC MCULE-8386546337 [1,0,0,0,0,0|1,0,1]=3 396 B4R0.2 C=CCCCl MCULE-5903789900 [1,0,0,0,0,0|2,0,1]=4 397 B4R0.2 C=CCCI MCULE-1055671394 [1,0,0,0,0,0|2,0,1]=4 398 B4R0.2 C=CCCN MCULE-2471716627 [1,0,0,0,0,0|2,0,1]=4 399 B4R0.2 C=CCCN MCULE-2881108697 [1,0,0,0,0,0|2,0,1]=4 400 B4R0.2 C=CCCO MCULE-4582400839 [1,0,0,0,0,0|1,0,2]=4 401 B4R0.2 C=CCNC MCULE-3335720336 [1,0,0,0,0,0|2,0,0]=3 402 B4R0.2 C=CCNN MCULE-2550690274 [1,0,0,0,0,0|3,0,0]=4 403 B4R0.2 C=CCNN MCULE-3554567414 [1,0,0,0,0,0|3,0,0]=4 404 B4R0.2 C=CCNN MCULE-8741523989 [1,0,0,0,0,0|3,0,0]=4 405 B4R0.2 C=CCOC MCULE-3321225771 [1,0,0,0,0,0|2,0,0]=3 406 B4R0.2 C=CCON MCULE-2094787759 [1,0,0,0,0,0|3,0,0]=4 407 B4R0.2 C=CCON MCULE-6222602533 [1,0,0,0,0,0|3,0,0]=4 408 B4R0.2 C=CCSC MCULE-4452023915 [1,0,0,0,0,0|2,0,0]=3 409 B4R0.2 C=CNC=O MCULE-8403928899 [1,0,0,0,0,0|1,0,0]=2 410 B4R0.2 C=COCC MCULE-2569047033 [1,0,0,0,0,0|0,0,1]=2 411 B4R0.2 C=CSCC MCULE-8927374165 [1,0,0,0,0,0|0,1,1]=3 412 B4R0.2 C=C[Te]C=C MCULE-9095868234 [1,0,0,0,0,0|0,1,1]=3 413 B4R0.2 CC#CC=O MCULE-9270622693 [1,0,0,0,0,0|1,0,2]=4 414 B4R0.2 CC=CC#N MCULE-5062019142 [1,0,0,0,0,0|2,0,1]=4 415 B4R0.2 CC=CC=O MCULE-2497362981 [1,0,0,0,0,0|1,0,1]=3 416 B4R0.2 CC=CCBr MCULE-7855581866 [1,0,0,0,0,0|2,0,1]=4 417 B4R0.2 CC=CCC MCULE-5931905453 [1,0,0,0,0,0|1,0,2]=4 418 B4R0.2 CC=CCCl MCULE-3941962217 [1,0,0,0,0,0|2,0,1]=4 419 B4R0.2 CC=CCO MCULE-7490725844 [1,0,0,0,0,0|2,0,1]=4 420 B4R0.2 CC=COC MCULE-6712403535 [1,0,0,0,0,0|2,0,1]=4 421 B4R0.2 CC=CSC MCULE-5921906156 [1,0,0,0,0,0|2,0,1]=4 422 B4R0.2 CCC=CBr MCULE-4471551501 [1,0,0,0,0,0|2,0,1]=4 423 B4R0.2 CCCC=O MCULE-8530391347 [1,0,0,0,0,0|1,0,2]=4 424 B4R0.2 CCNC=O MCULE-9309926274 [1,0,0,0,0,0|1,0,2]=4 425 B4R0.2 CCOC=N MCULE-5321655909 [1,0,0,0,0,0|1,0,1]=3 426 B4R0.2 CCOC=N MCULE-8158357614 [1,0,0,0,0,0|1,0,1]=3 427 B4R0.2 CCOC=O MCULE-6245072161 [1,0,0,0,0,0|0,0,2]=3 428 B4R0.2 CCOCBr MCULE-6644755987 [1,0,0,0,0,0|1,0,2]=4 429 B4R0.2 CCOCC MCULE-5665709021 [1,0,0,0,0,0|0,0,3]=4 430 B4R0.2 CCOCCl MCULE-5087992840 [1,0,0,0,0,0|1,0,2]=4 431 B4R0.2 CCONC MCULE-5446312516 [1,0,0,0,0,0|1,0,2]=4 432 B4R0.2 CCONC MCULE-7976027802 [1,0,0,0,0,0|1,0,2]=4 433 B4R0.2 COCC=O MCULE-9427361019 [1,0,0,0,0,0|2,0,1]=4 434 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,0,0,0,0,0|2,0,0]=3 435 B4R0.2 NC=CC=O MCULE-4070918342 [1,0,0,0,0,0|2,0,0]=3 436 B4R0.2 O=BOB=O MCULE-4560541361 [1,0,0,0,0,0|3,0,0]=4 437 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,0,0,0,0|2,0,1]=4 438 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,0,0,0,0|2,0,1]=4 439 B4R0.2 O=CCCI MCULE-9771140462 [1,0,0,0,0,0|2,0,1]=4 440 B4R0.2 O=CCCO MCULE-1685289763 [1,0,0,0,0,0|2,0,1]=4 441 B4R0.2 O=CNC=O MCULE-3098379420 [1,0,0,0,0,0|2,0,0]=3 442 B4R0.2 O=COC=O MCULE-6311384332 [1,0,0,0,0,0|1,0,0]=2 443 B4R0.2 O=C[N-]C=O MCULE-4923470284 [1,0,0,0,0,0|2,0,0]=3 444 B4R0.2 O=[As]O[As]=O MCULE-6104708983 [1,0,0,0,0,0|3,0,0]=4 445 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,1,0,0,0,0|0,0,3]=4 446 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [0,1,0,0,0,0|1,0,2]=4 447 B6R0.1 C(=C/C(=O)CC)\C MCULE-9250312874 [0,1,0,0,0,0|1,0,1]=3 448 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,1,0,0,0,0|1,0,1]=3 449 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [0,1,0,0,0,0|1,0,1]=3 450 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,1,0,0,0,0|0,0,3]=4 451 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [0,1,0,0,0,0|2,0,1]=4 452 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,1,0,0,0,0|1,0,0]=2 453 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,1,0,0,0,0|1,0,0]=2 454 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [0,1,0,0,0,0|1,0,0]=2 455 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,1,0,0,0,0|1,0,0]=2 456 B6R0.1 C=CCC(C)C=O MCULE-3981206051 [0,1,0,0,0,0|1,0,1]=3 457 B6R0.1 C=CCC(C)CC MCULE-8680856865 [0,1,0,0,0,0|2,0,1]=4 458 B6R0.1 C=CCC(C)CO MCULE-9174943108 [0,1,0,0,0,0|1,0,2]=4 459 B6R0.1 C=CCC(N)CC MCULE-2309097248 [0,1,0,0,0,0|2,0,1]=4 460 B6R0.1 C=CCC(N)CC MCULE-8356954197 [0,1,0,0,0,0|2,0,1]=4 461 B6R0.1 C=CCC(N)CO MCULE-3854217705 [0,1,0,0,0,0|2,0,1]=4 462 B6R0.1 C=CCC(N)CO MCULE-6104194102 [0,1,0,0,0,0|2,0,1]=4 463 B6R0.1 C=CCC(N)CO MCULE-6473126335 [0,1,0,0,0,0|2,0,1]=4 464 B6R0.1 C=CCC(N)CO MCULE-8430673873 [0,1,0,0,0,0|2,0,1]=4 465 B6R0.1 C=CCC(O)CC MCULE-1497539816 [0,1,0,0,0,0|1,0,2]=4 466 B6R0.1 C=CCC(O)CN MCULE-8237489732 [0,1,0,0,0,0|1,0,2]=4 467 B6R0.1 C=CC[C@@H](N)CO MCULE-1869015815 [0,1,0,0,0,0|2,0,1]=4 468 B6R0.1 C=CC[C@@H](N)CO MCULE-2792980070 [0,1,0,0,0,0|2,0,1]=4 469 B6R0.1 C=CC[C@@H](N)CO MCULE-3168704187 [0,1,0,0,0,0|2,0,1]=4 470 B6R0.1 C=CC[C@@H](N)CO MCULE-4796522209 [0,1,0,0,0,0|2,0,1]=4 471 B6R0.1 C=CC[C@@H](O)CC MCULE-3259102701 [0,1,0,0,0,0|1,0,2]=4 472 B6R0.1 C=CC[C@H](C)C=O MCULE-6968117309 [0,1,0,0,0,0|1,0,1]=3 473 B6R0.1 C=CC[C@H](N)CO MCULE-2427943513 [0,1,0,0,0,0|2,0,1]=4 474 B6R0.1 C=CC[C@H](N)CO MCULE-4244461120 [0,1,0,0,0,0|2,0,1]=4 475 B6R0.1 C=CC[C@H](N)CO MCULE-6760610212 [0,1,0,0,0,0|2,0,1]=4 476 B6R0.1 C=CC[C@H](N)CO MCULE-7914934929 [0,1,0,0,0,0|2,0,1]=4 477 B6R0.1 C=CC[C@H](O)CC MCULE-6527977219 [0,1,0,0,0,0|1,0,2]=4 478 B6R0.1 C=COC(=O)CC MCULE-7662621547 [0,1,0,0,0,0|0,0,0]=1 479 B6R0.1 C=COC(=O)CCl MCULE-7675766105 [0,1,0,0,0,0|0,0,0]=1 480 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [0,1,0,0,0,0|1,0,2]=4 481 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,1,0,0,0,0|1,0,2]=4 482 B6R0.1 CC=CC(=O)CC MCULE-5948495959 [0,1,0,0,0,0|1,0,1]=3 483 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,1,0,0,0,0|1,0,1]=3 484 B6R0.1 CCC(=O)CC#N MCULE-6150629588 [0,1,0,0,0,0|2,0,1]=4 485 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,1,0,0,0,0|2,0,1]=4 486 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,1,0,0,0,0|2,0,1]=4 487 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,1,0,0,0,0|2,0,1]=4 488 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,1,0,0,0,0|2,0,1]=4 489 B6R0.1 CCC(=O)NOC MCULE-4440074406 [0,1,0,0,0,0|2,0,1]=4 490 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [0,1,0,0,0,0|1,0,1]=3 491 B6R0.1 CCC(C)OC=O MCULE-9361787208 [0,1,0,0,0,0|2,0,1]=4 492 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,1,0,0,0,0|1,0,2]=4 493 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,1,0,0,0,0|1,0,2]=4 494 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,1,0,0,0,0|1,0,2]=4 495 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,1,0,0,0,0|1,0,2]=4 496 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,1,0,0,0,0|1,0,2]=4 497 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,1,0,0,0,0|1,0,2]=4 498 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,1,0,0,0,0|1,0,2]=4 499 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,1,0,0,0,0|1,0,2]=4 500 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,1,0,0,0,0|1,0,2]=4 501 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,1,0,0,0,0|1,0,2]=4 502 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,1,0,0,0,0|1,0,2]=4 503 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,1,0,0,0,0|1,0,2]=4 504 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,1,0,0,0,0|1,0,2]=4 505 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,1,0,0,0,0|1,0,2]=4 506 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,1,0,0,0,0|1,0,2]=4 507 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,1,0,0,0,0|1,0,2]=4 508 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,1,0,0,0,0|1,0,2]=4 509 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,1,0,0,0,0|1,0,2]=4 510 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,1,0,0,0,0|0,0,3]=4 511 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,1,0,0,0,0|0,0,3]=4 512 B6R0.1 CCOC(=N)CC MCULE-4645506860 [0,1,0,0,0,0|1,0,2]=4 513 B6R0.1 CCOC(=N)CC MCULE-9526837631 [0,1,0,0,0,0|1,0,2]=4 514 B6R0.1 CCOC(=N)CCl MCULE-6291047852 [0,1,0,0,0,0|1,0,2]=4 515 B6R0.1 CCOC(=N)CCl MCULE-9207251975 [0,1,0,0,0,0|1,0,2]=4 516 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,1,0,0,0,0|0,0,3]=4 517 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,1,0,0,0,0|0,0,3]=4 518 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,1,0,0,0,0|0,0,3]=4 519 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,1,0,0,0,0|0,0,2]=3 520 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,1,0,0,0,0|0,0,2]=3 521 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,1,0,0,0,0|0,0,2]=3 522 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,1,0,0,0,0|0,0,2]=3 523 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,1,0,0,0,0|0,0,2]=3 524 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,1,0,0,0,0|0,0,2]=3 525 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,1,0,0,0,0|0,0,2]=3 526 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,1,0,0,0,0|0,0,2]=3 527 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,1,0,0,0,0|0,0,2]=3 528 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,1,0,0,0,0|0,0,2]=3 529 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,1,0,0,0,0|1,0,2]=4 530 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,1,0,0,0,0|1,0,2]=4 531 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,1,0,0,0,0|0,0,2]=3 532 B6R0.1 CCOC(=S)SC MCULE-6959447720 [0,1,0,0,0,0|0,1,2]=4 533 B6R0.1 CCOS(=O)CC MCULE-4858180441 [0,1,0,0,0,0|1,0,2]=4 534 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,1,0,0,0,0|0,1,2]=4 535 B6R0.1 CNC(=O)CC#N MCULE-2970000161 [0,1,0,0,0,0|2,0,1]=4 536 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,1,0,0,0,0|2,0,1]=4 537 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,1,0,0,0,0|2,0,1]=4 538 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,1,0,0,0,0|2,0,1]=4 539 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,1,0,0,0,0|2,0,1]=4 540 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,1,0,0,0,0|2,0,1]=4 541 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,1,0,0,0,0|2,0,1]=4 542 B6R0.1 CNC(=O)CON MCULE-6451598359 [0,1,0,0,0,0|3,0,0]=4 543 B6R0.1 CNC(=O)CON MCULE-8743298594 [0,1,0,0,0,0|3,0,0]=4 544 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,1,0,0,0,0|2,0,1]=4 545 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,1,0,0,0,0|2,0,1]=4 546 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,1,0,0,0,0|2,0,1]=4 547 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,1,0,0,0,0|2,0,1]=4 548 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,1,0,0,0,0|2,0,1]=4 549 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [0,1,0,0,0,0|2,0,0]=3 550 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [0,1,0,0,0,0|2,0,0]=3 551 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [0,1,0,0,0,0|2,0,0]=3 552 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [0,1,0,0,0,0|2,0,0]=3 553 B6R0.1 COC(=O)C#CBr MCULE-2452280844 [0,1,0,0,0,0|2,0,1]=4 554 B6R0.1 COC(=O)C#CI MCULE-2688506741 [0,1,0,0,0,0|2,0,1]=4 555 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [0,1,0,0,0,0|2,0,0]=3 556 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [0,1,0,0,0,0|2,0,0]=3 557 B6R0.1 COC(=O)C=CI MCULE-1616048599 [0,1,0,0,0,0|2,0,0]=3 558 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,1,0,0,0,0|2,0,0]=3 559 B6R0.1 COC(=O)CC#N MCULE-2699345092 [0,1,0,0,0,0|2,0,1]=4 560 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,1,0,0,0,0|2,0,0]=3 561 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,1,0,0,0,0|2,0,1]=4 562 B6R0.1 COC(=O)CCCl MCULE-5034007224 [0,1,0,0,0,0|2,0,1]=4 563 B6R0.1 COC(=O)CCI MCULE-5984806612 [0,1,0,0,0,0|2,0,1]=4 564 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,1,0,0,0,0|2,0,1]=4 565 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,1,0,0,0,0|2,0,1]=4 566 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,1,0,0,0,0|2,0,1]=4 567 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,1,0,0,0,0|2,0,1]=4 568 B6R0.1 COC(=O)CNN MCULE-3287579794 [0,1,0,0,0,0|3,0,0]=4 569 B6R0.1 COC(=O)CNN MCULE-3838874166 [0,1,0,0,0,0|3,0,0]=4 570 B6R0.1 COC(=O)CON MCULE-4799038238 [0,1,0,0,0,0|3,0,0]=4 571 B6R0.1 COC(=O)CSC MCULE-6735536033 [0,1,0,0,0,0|2,0,1]=4 572 B6R0.1 COC(=O)N=C=S MCULE-2981767233 [0,1,0,0,0,0|2,0,1]=4 573 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,1,0,0,0,0|2,0,0]=3 574 B6R0.1 COC(=O)OCCl MCULE-7856529986 [0,1,0,0,0,0|1,0,1]=3 575 B6R0.1 COC(=O)OCF MCULE-4705008675 [0,1,0,0,0,0|1,0,1]=3 576 B6R0.1 COC(=O)OCI MCULE-8692720175 [0,1,0,0,0,0|1,0,1]=3 577 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,1,0,0,0,0|2,0,1]=4 578 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,1,0,0,0,0|2,0,1]=4 579 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,1,0,0,0,0|2,0,1]=4 580 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,1,0,0,0,0|2,0,1]=4 581 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,1,0,0,0,0|2,0,1]=4 582 B6R0.1 O=C(C=CCl)CCl MCULE-6121304267 [0,1,0,0,0,0|2,0,0]=3 583 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [0,1,0,0,0,0|2,0,1]=4 584 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,1,0,0,0,0|2,0,1]=4 585 B6R0.1 O=C=NC(=O)CCl MCULE-8927897165 [0,1,0,0,0,0|2,0,1]=4 586 B6R0.2 C/C(=C\C(=S)N)/N MCULE-9311101194 [0,1,0,0,0,0|3,0,0]=4 587 B6R0.2 C=C(C)C=C(C)C MCULE-1842732141 [0,1,0,0,0,0|2,0,0]=3 588 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,1,0,0,0,0|1,0,0]=2 589 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,1,0,0,0,0|2,0,0]=3 590 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,1,0,0,0,0|2,0,1]=4 591 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,1,0,0,0,0|1,0,2]=4 592 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,1,0,0,0,0|1,0,2]=4 593 B6R0.2 C=C(C)OC(=O)C MCULE-9345377025 [0,1,0,0,0,0|0,0,0]=1 594 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,1,0,0,0,0|2,0,0]=3 595 B6R0.2 CC(=CC(=O)Cl)C MCULE-7644585609 [0,1,0,0,0,0|2,0,1]=4 596 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,1,0,0,0,0|2,0,1]=4 597 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,1,0,0,0,0|2,0,1]=4 598 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,1,0,0,0,0|2,0,1]=4 599 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,1,0,0,0,0|2,0,1]=4 600 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,1,0,0,0,0|2,0,1]=4 601 B6R0.2 CC(=CC(=S)N)N MCULE-2731073832 [0,1,0,0,0,0|3,0,0]=4 602 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,1,0,0,0,0|1,0,1]=3 603 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,1,0,0,0,0|1,0,1]=3 604 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-3445340105 [0,1,0,0,0,0|1,0,1]=3 605 B6R0.2 CC(=O)/C=C(/C)\[O-] MCULE-7833799417 [0,1,0,0,0,0|1,0,1]=3 606 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,1,0,0,0,0|1,0,1]=3 607 B6R0.2 CC(=O)C=C(C)C MCULE-4922478422 [0,1,0,0,0,0|1,0,1]=3 608 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,1,0,0,0,0|1,0,1]=3 609 B6R0.2 CC(=O)C=C(C)O MCULE-7345258397 [0,1,0,0,0,0|1,0,1]=3 610 B6R0.2 CC(=O)C=C(C)[O-] MCULE-7733093724 [0,1,0,0,0,0|1,0,1]=3 611 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,1,0,0,0,0|1,0,1]=3 612 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,1,0,0,0,0|2,0,0]=3 613 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,1,0,0,0,0|2,0,0]=3 614 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,1,0,0,0,0|2,0,0]=3 615 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,1,0,0,0,0|2,0,0]=3 616 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,1,0,0,0,0|1,0,2]=4 617 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,1,0,0,0,0|1,0,2]=4 618 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,1,0,0,0,0|1,0,2]=4 619 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,1,0,0,0,0|1,0,2]=4 620 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,1,0,0,0,0|3,0,0]=4 621 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,1,0,0,0,0|2,0,1]=4 622 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,1,0,0,0,0|1,0,2]=4 623 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,1,0,0,0,0|1,0,2]=4 624 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,1,0,0,0,0|2,0,0]=3 625 B6R0.2 CC(=O)NC(=O)C MCULE-3040534108 [0,1,0,0,0,0|1,0,1]=3 626 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,1,0,0,0,0|2,0,0]=3 627 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,1,0,0,0,0|2,0,0]=3 628 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,1,0,0,0,0|1,0,2]=4 629 B6R0.2 CC(=O)NN(C)C MCULE-3444969121 [0,1,0,0,0,0|2,0,1]=4 630 B6R0.2 CC(=O)NN(C)C MCULE-5383938091 [0,1,0,0,0,0|2,0,1]=4 631 B6R0.2 CC(=O)OC(=O)C MCULE-9184217748 [0,1,0,0,0,0|0,0,1]=2 632 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,1,0,0,0,0|0,0,2]=3 633 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,1,0,0,0,0|0,0,2]=3 634 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,1,0,0,0,0|0,0,2]=3 635 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,1,0,0,0,0|0,1,1]=3 636 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-4855074933 [0,1,0,0,0,0|1,0,1]=3 637 B6R0.2 CC(=O)[CH-]C(=O)C MCULE-6905854247 [0,1,0,0,0,0|1,0,1]=3 638 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,1,0,0,0,0|2,0,1]=4 639 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,1,0,0,0,0|2,0,1]=4 640 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,1,0,0,0,0|1,0,2]=4 641 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,1,0,0,0,0|1,0,2]=4 642 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [0,1,0,0,0,0|2,0,1]=4 643 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [0,1,0,0,0,0|2,0,1]=4 644 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [0,1,0,0,0,0|2,0,1]=4 645 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,1,0,0,0,0|1,0,2]=4 646 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,1,0,0,0,0|3,0,0]=4 647 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,1,0,0,0,0|3,0,0]=4 648 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,1,0,0,0,0|3,0,0]=4 649 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,1,0,0,0,0|3,0,0]=4 650 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,1,0,0,0,0|3,0,0]=4 651 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-1040352274 [0,1,0,0,0,0|3,0,0]=4 652 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-7233867485 [0,1,0,0,0,0|3,0,0]=4 653 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,1,0,0,0,0|3,0,0]=4 654 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,1,0,0,0,0|3,0,0]=4 655 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,1,0,0,0,0|3,0,0]=4 656 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,1,0,0,0,0|3,0,0]=4 657 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,1,0,0,0,0|3,0,0]=4 658 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,1,0,0,0,0|3,0,0]=4 659 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,1,0,0,0,0|3,0,0]=4 660 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,1,0,0,0,0|3,0,0]=4 661 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,1,0,0,0,0|3,0,0]=4 662 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,1,0,0,0,0|3,0,0]=4 663 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,1,0,0,0,0|3,0,0]=4 664 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,1,0,0,0,0|2,0,1]=4 665 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,1,0,0,0,0|2,0,1]=4 666 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,1,0,0,0,0|2,0,1]=4 667 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,0,0,0,0|2,0,1]=4 668 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,1,0,0,0,0|2,0,0]=3 669 B6R0.3 C=CC(=O)C(C)C MCULE-8577593172 [0,1,0,0,0,0|2,0,1]=4 670 B6R0.3 C=CC(=O)N(C)C MCULE-3105693382 [0,1,0,0,0,0|3,0,0]=4 671 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,0,0,0,0|2,0,0]=3 672 B6R0.3 C=CC(C)C(C)C MCULE-4461669612 [0,1,0,0,0,0|2,0,1]=4 673 B6R0.3 C=CC(C)C(C)O MCULE-5639096655 [0,1,0,0,0,0|1,0,2]=4 674 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,0,0,0,0|2,0,0]=3 675 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,0,0,0,0|2,0,0]=3 676 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,0,0,0,0|2,0,0]=3 677 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,0,0,0,0|2,0,0]=3 678 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,0,0,0,0|2,0,0]=3 679 B6R0.3 C=CC(O)C(C)C MCULE-2504249276 [0,1,0,0,0,0|2,0,1]=4 680 B6R0.3 C=CN(C)C(=O)C MCULE-2418332000 [0,1,0,0,0,0|1,0,0]=2 681 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,0,0,0,0|2,0,0]=3 682 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-1946110265 [0,1,0,0,0,0|1,0,2]=4 683 B6R0.3 C=C[C@@H](C)[C@@H](C)O MCULE-2042493608 [0,1,0,0,0,0|1,0,2]=4 684 B6R0.3 C=C[C@@H](C)[C@H](C)O MCULE-1482556738 [0,1,0,0,0,0|1,0,2]=4 685 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,0,0,0,0|2,0,0]=3 686 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,0,0,0,0|2,0,0]=3 687 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,0,0,0,0|2,0,0]=3 688 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,0,0,0,0|2,0,0]=3 689 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,0,0,0,0|2,0,0]=3 690 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,0,0,0,0|2,0,0]=3 691 B6R0.3 C=C[C@H](C)[C@@H](C)O MCULE-4591189626 [0,1,0,0,0,0|1,0,2]=4 692 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2180884086 [0,1,0,0,0,0|1,0,2]=4 693 B6R0.3 C=C[C@H](C)[C@H](C)O MCULE-2347920403 [0,1,0,0,0,0|1,0,2]=4 694 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,0,0,0,0|2,0,0]=3 695 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,0,0,0,0|2,0,0]=3 696 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,0,0,0,0|2,0,0]=3 697 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,0,0,0,0|2,0,0]=3 698 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,1,0,0,0,0|3,0,0]=4 699 B6R0.3 CC(=O)/C(=N/O)/C MCULE-2017881701 [0,1,0,0,0,0|3,0,0]=4 700 B6R0.3 CC(=O)/C(=N\O)/C MCULE-6814264333 [0,1,0,0,0,0|3,0,0]=4 701 B6R0.3 CC(=O)C(=NO)C MCULE-3626428375 [0,1,0,0,0,0|3,0,0]=4 702 B6R0.3 CC(=O)C(=NO)Cl MCULE-9930401042 [0,1,0,0,0,0|3,0,0]=4 703 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,1,0,0,0,0|2,0,1]=4 704 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,1,0,0,0,0|2,0,1]=4 705 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,1,0,0,0,0|2,0,0]=3 706 B6R0.3 CC(=O)C(C)C#N MCULE-3849364002 [0,1,0,0,0,0|2,0,1]=4 707 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,1,0,0,0,0|2,0,0]=3 708 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,1,0,0,0,0|2,0,1]=4 709 B6R0.3 CC(=O)C(Cl)C#N MCULE-7984925847 [0,1,0,0,0,0|2,0,1]=4 710 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,0,0,0,0|2,0,1]=4 711 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,0,0,0,0|2,0,1]=4 712 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,1,0,0,0,0|2,0,1]=4 713 B6R0.3 CC=C(C)C(=O)C MCULE-8950290711 [0,1,0,0,0,0|1,0,1]=3 714 B6R0.3 CC=C(C)C(=O)Cl MCULE-2974704783 [0,1,0,0,0,0|2,0,1]=4 715 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,1,0,0,0,0|2,0,1]=4 716 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,1,0,0,0,0|2,0,1]=4 717 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,1,0,0,0,0|2,0,1]=4 718 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,0,0,0,0|2,0,1]=4 719 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,1,0,0,0,0|1,0,2]=4 720 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,1,0,0,0,0|1,0,2]=4 721 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,1,0,0,0,0|1,0,2]=4 722 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,1,0,0,0,0|1,0,2]=4 723 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,1,0,0,0,0|1,0,2]=4 724 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,1,0,0,0,0|1,0,2]=4 725 B6R0.3 COC(=O)C(=O)C MCULE-5423483210 [0,1,0,0,0,0|2,0,1]=4 726 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,1,0,0,0,0|2,0,1]=4 727 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,1,0,0,0,0|2,0,1]=4 728 B6R0.3 CON(C)C(=O)C MCULE-8559238750 [0,1,0,0,0,0|2,0,1]=4 729 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,1,0,0,0,0|2,0,1]=4 730 B6R0.3 O=C(Cl)/C(=C/Cl)/Cl MCULE-1765210878 [0,1,0,0,0,0|3,0,0]=4 731 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,1,0,0,0,0|3,0,0]=4 732 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,1,0,0,0,0|3,0,0]=4 733 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,0,0,0,0|2,0,0]=3 734 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,1,0,0,0,0|1,0,2]=4 735 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [0,1,0,0,0,0|1,0,2]=4 736 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [0,1,0,0,0,0|0,0,2]=3 737 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [0,1,0,0,0,0|1,0,2]=4 738 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,1,0,0,0,0|1,0,2]=4 739 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,1,0,0,0,0|2,0,0]=3 740 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,1,0,0,0,0|2,0,0]=3 741 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,1,0,0,0,0|2,0,0]=3 742 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [0,1,0,0,0,0|2,0,1]=4 743 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [0,1,0,0,0,0|2,0,0]=3 744 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,1,0,0,0,0|2,0,0]=3 745 B6R0.4 C=CC=CC(=O)Cl MCULE-6383997047 [0,1,0,0,0,0|2,0,0]=3 746 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [0,1,0,0,0,0|2,0,0]=3 747 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [0,1,0,0,0,0|2,0,0]=3 748 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [0,1,0,0,0,0|3,0,0]=4 749 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [0,1,0,0,0,0|3,0,0]=4 750 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,1,0,0,0,0|1,0,0]=2 751 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,1,0,0,0,0|2,0,0]=3 752 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,1,0,0,0,0|2,0,0]=3 753 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,1,0,0,0,0|2,0,0]=3 754 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [0,1,0,0,0,0|2,0,1]=4 755 B6R0.4 C=CCCC(C)C MCULE-7128249655 [0,1,0,0,0,0|2,0,1]=4 756 B6R0.4 C=CCCC(C)O MCULE-3388106789 [0,1,0,0,0,0|1,0,2]=4 757 B6R0.4 C=CCCN(=O)=O MCULE-9645435231 [0,1,0,0,0,0|3,0,0]=4 758 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [0,1,0,0,0,0|1,0,2]=4 759 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [0,1,0,0,0,0|1,0,2]=4 760 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [0,1,0,0,0,0|1,0,2]=4 761 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,1,0,0,0,0|1,0,0]=2 762 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,1,0,0,0,0|2,0,0]=3 763 B6R0.4 C=CCNC(=S)N MCULE-4099442157 [0,1,0,0,0,0|2,1,0]=4 764 B6R0.4 C=CCNC(C)C MCULE-1450045891 [0,1,0,0,0,0|2,0,1]=4 765 B6R0.4 C=CCNC(C)C MCULE-3261189096 [0,1,0,0,0,0|2,0,1]=4 766 B6R0.4 C=CCNC(C)C MCULE-4894255968 [0,1,0,0,0,0|2,0,1]=4 767 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,1,0,0,0,0|0,0,0]=1 768 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,1,0,0,0,0|1,0,0]=2 769 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,1,0,0,0,0|1,0,0]=2 770 B6R0.4 C=CCSC(=N)N MCULE-8236628420 [0,1,0,0,0,0|2,1,0]=4 771 B6R0.4 C=CCSC(=[NH2+])N MCULE-7174450469 [0,1,0,0,0,0|2,1,0]=4 772 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,1,0,0,0,0|2,0,0]=3 773 B6R0.4 C=COCC(C)C MCULE-7268141053 [0,1,0,0,0,0|1,0,1]=3 774 B6R0.4 C=CON=C(C)C MCULE-5340817509 [0,1,0,0,0,0|1,0,0]=2 775 B6R0.4 CC(=NNC=O)C MCULE-6194074981 [0,1,0,0,0,0|3,0,0]=4 776 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,1,0,0,0,0|1,0,2]=4 777 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,1,0,0,0,0|1,0,1]=3 778 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,1,0,0,0,0|1,0,2]=4 779 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,1,0,0,0,0|1,0,2]=4 780 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,1,0,0,0,0|1,0,2]=4 781 B6R0.4 CC(=O)CSC#N MCULE-5774397655 [0,1,0,0,0,0|1,1,1]=4 782 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [0,1,0,0,0,0|1,0,2]=4 783 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,1,0,0,0,0|1,0,2]=4 784 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,1,0,0,0,0|1,0,2]=4 785 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,1,0,0,0,0|1,0,2]=4 786 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,1,0,0,0,0|1,0,2]=4 787 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [0,1,0,0,0,0|0,0,2]=3 788 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,1,0,0,0,0|0,0,2]=3 789 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,1,0,0,0,0|0,0,2]=3 790 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,1,0,0,0,0|0,0,2]=3 791 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,1,0,0,0,0|0,0,2]=3 792 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,1,0,0,0,0|0,0,2]=3 793 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [0,1,0,0,0,0|0,1,2]=4 794 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,1,0,0,0,0|0,1,2]=4 795 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,1,0,0,0,0|0,1,2]=4 796 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,1,0,0,0,0|0,1,2]=4 797 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,1,0,0,0,0|0,1,2]=4 798 B6R0.4 CC(C)C=CC=O MCULE-5034551905 [0,1,0,0,0,0|2,0,1]=4 799 B6R0.4 CC(C)COC=O MCULE-8234906771 [0,1,0,0,0,0|2,0,1]=4 800 B6R0.4 CC(C)OCC=O MCULE-5974054323 [0,1,0,0,0,0|1,0,2]=4 801 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,1,0,0,0,0|2,0,1]=4 802 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,1,0,0,0,0|2,0,1]=4 803 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,1,0,0,0,0|2,0,0]=3 804 B6R0.4 CC=CCC(C)C MCULE-7145682250 [0,1,0,0,0,0|2,0,1]=4 805 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [0,1,0,0,0,0|2,0,1]=4 806 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [0,1,0,0,0,0|1,0,2]=4 807 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,1,0,0,0,0|1,0,1]=3 808 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,1,0,0,0,0|2,0,1]=4 809 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,1,0,0,0,0|2,0,1]=4 810 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,1,0,0,0,0|1,0,2]=4 811 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,1,0,0,0,0|1,0,2]=4 812 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,1,0,0,0,0|0,0,2]=3 813 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,1,0,0,0,0|1,0,2]=4 814 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,1,0,0,0,0|1,0,2]=4 815 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,1,0,0,0,0|0,1,2]=4 816 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,1,0,0,0,0|1,0,2]=4 817 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,1,0,0,0,0|1,0,2]=4 818 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,1,0,0,0,0|0,0,2]=3 819 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,1,0,0,0,0|1,0,2]=4 820 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,1,0,0,0,0|1,0,2]=4 821 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,1,0,0,0,0|0,1,2]=4 822 B6R0.4 CN(C)/C=C/C=O MCULE-2048385164 [0,1,0,0,0,0|3,0,0]=4 823 B6R0.4 CN(C)C=CC=O MCULE-3308636651 [0,1,0,0,0,0|3,0,0]=4 824 B6R0.4 CO/C=C/C(=O)C MCULE-1215649803 [0,1,0,0,0,0|1,0,1]=3 825 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,1,0,0,0,0|2,0,1]=4 826 B6R0.4 COC=CC(=O)C MCULE-4868833764 [0,1,0,0,0,0|1,0,1]=3 827 B6R0.4 COC=CC(=O)Cl MCULE-4966577139 [0,1,0,0,0,0|2,0,1]=4 828 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,1,0,0,0,0|2,0,1]=4 829 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,1,0,0,0,0|1,0,2]=4 830 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,1,0,0,0,0|0,0,2]=3 831 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,1,0,0,0,0|1,0,2]=4 832 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,1,0,0,0,0|0,0,2]=3 833 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [0,1,0,0,0,0|2,0,1]=4 834 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [0,1,0,0,0,0|3,0,0]=4 835 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [0,1,0,0,0,0|3,0,0]=4 836 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,1,0,0,0,0|1,0,2]=4 837 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,1,0,0,0,0|1,0,2]=4 838 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,1,0,0,0,0|2,0,1]=4 839 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,1,0,0,0,0|2,0,1]=4 840 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,1,0,0,0,0|2,0,1]=4 841 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,1,0,0,0,0|1,0,2]=4 842 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,1,0,0,0,0|1,0,2]=4 843 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,1,0,0,0,0|1,0,2]=4 844 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,1,0,0,0,0|1,0,2]=4 845 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,1,0,0,0,0|1,0,2]=4 846 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,1,0,0,0,0|2,0,1]=4 847 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,1,0,0,0,0|2,0,1]=4 848 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,1,0,0,0,0|2,0,1]=4 849 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,1,0,0,0,0|2,0,1]=4 850 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,1,0,0,0,0|2,0,1]=4 851 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,1,0,0,0,0|2,0,1]=4 852 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,1,0,0,0,0|2,0,1]=4 853 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,1,0,0,0,0|3,0,0]=4 854 B6R0.5 C=CCC(C)(C)C MCULE-1992751113 [0,1,0,0,0,0|2,0,1]=4 855 B6R0.5 C=CCC(C)(C)N MCULE-5186161263 [0,1,0,0,0,0|2,0,1]=4 856 B6R0.5 C=CCC(C)(C)N MCULE-6288336754 [0,1,0,0,0,0|2,0,1]=4 857 B6R0.5 C=CCC(C)(C)O MCULE-3560651758 [0,1,0,0,0,0|1,0,2]=4 858 B6R0.5 C=CCP(=O)(Cl)Cl MCULE-7384595104 [0,1,0,0,0,0|3,0,0]=4 859 B6R0.5 C=CCS(=O)(=O)C MCULE-8490929862 [0,1,0,0,0,0|2,0,0]=3 860 B6R0.5 C=CCS(=O)(=O)Cl MCULE-9494163777 [0,1,0,0,0,0|3,0,0]=4 861 B6R0.5 C=CCS(=O)(=O)N MCULE-7056942389 [0,1,0,0,0,0|3,0,0]=4 862 B6R0.5 C=CCS(=O)(=O)O MCULE-2373600268 [0,1,0,0,0,0|3,0,0]=4 863 B6R0.5 C=CCS(=O)(=O)[O-] MCULE-9530643519 [0,1,0,0,0,0|3,0,0]=4 864 B6R0.5 C=CC[N+](C)(C)C MCULE-5418366165 [0,1,0,0,0,0|3,0,0]=4 865 B6R0.5 C=CC[N+](C)(C)C MCULE-8037238801 [0,1,0,0,0,0|3,0,0]=4 866 B6R0.5 C=CC[Si](C)(C)C MCULE-5031938571 [0,1,0,0,0,0|2,1,0]=4 867 B6R0.5 C=CC[Si](C)(C)Cl MCULE-1810628320 [0,1,0,0,0,0|2,1,0]=4 868 B6R0.5 C=CC[Si](C)(Cl)Cl MCULE-4744214982 [0,1,0,0,0,0|2,1,0]=4 869 B6R0.5 C=CC[Sn](C)(C)C MCULE-7062318521 [0,1,0,0,0,0|3,0,0]=4 870 B6R0.5 C=COC(C)(C)C MCULE-5049432761 [0,1,0,0,0,0|1,0,1]=3 871 B6R0.5 C=CO[Si](C)(C)C MCULE-8953873865 [0,1,0,0,0,0|1,1,0]=3 872 B6R0.5 CC(C)(C)OC=O MCULE-3317941666 [0,1,0,0,0,0|2,0,1]=4 873 B6R0.5 CCOP(=O)(C)S MCULE-4864782374 [0,1,0,0,0,0|1,0,2]=4 874 B6R0.5 CCOS(=O)(=O)C MCULE-7269389229 [0,1,0,0,0,0|1,0,2]=4 875 B6R0.5 CS(=O)(=S)OCBr MCULE-7749578002 [0,1,0,0,0,0|2,0,1]=4 876 B6R1.2 BrC1=CC=CN1 MCULE-5264580992 [0,0,0,1,0,0|2,0,1]=4 877 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [0,0,0,1,0,0|1,0,1]=3 878 B6R1.2 BrC1=CC=CS1 MCULE-1364150691 [0,0,0,1,0,0|1,1,1]=4 879 B6R1.2 BrC1=CC=C[Se]1 MCULE-9011330064 [0,0,0,1,0,0|1,1,1]=4 880 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [0,0,0,1,0,0|2,0,1]=4 881 B6R1.2 BrC1=CN=CO1 MCULE-5651145478 [0,0,0,1,0,0|2,0,1]=4 882 B6R1.2 BrC1=CN=CO1 MCULE-8656599411 [0,0,0,1,0,0|2,0,1]=4 883 B6R1.2 BrC1=NC=CN1 MCULE-6985395799 [0,0,0,1,0,0|3,0,0]=4 884 B6R1.2 BrC1=NC=CN1 MCULE-8632789036 [0,0,0,1,0,0|3,0,0]=4 885 B6R1.2 BrC1=NC=CO1 MCULE-2104886923 [0,0,0,1,0,0|2,0,0]=3 886 B6R1.2 BrC1=NC=CO1 MCULE-2745860961 [0,0,0,1,0,0|2,0,0]=3 887 B6R1.2 BrC1=NC=CS1 MCULE-9214561330 [0,0,0,1,0,0|2,1,0]=4 888 B6R1.2 BrC1=NN=CO1 MCULE-9908278798 [0,0,0,1,0,0|3,0,0]=4 889 B6R1.2 BrC1CC=CC1 MCULE-8834603275 [0,0,0,1,0,0|2,0,1]=4 890 B6R1.2 BrN1CC=CS1 MCULE-6872896536 [0,0,0,1,0,0|2,1,0]=4 891 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [0,0,0,1,0,0|2,0,0]=3 892 B6R1.2 CC1=CC=CN1 MCULE-7608248575 [0,0,0,1,0,0|2,0,0]=3 893 B6R1.2 CC1=CC=CO1 MCULE-3620289319 [0,0,0,1,0,0|1,0,0]=2 894 B6R1.2 CC1=CC=CS1 MCULE-7297776024 [0,0,0,1,0,0|1,1,0]=3 895 B6R1.2 CC1=CC=NN1 MCULE-1457877312 [0,0,0,1,0,0|3,0,0]=4 896 B6R1.2 CC1=CC=NN1 MCULE-3441401586 [0,0,0,1,0,0|3,0,0]=4 897 B6R1.2 CC1=CC=NO1 MCULE-3188314923 [0,0,0,1,0,0|2,0,0]=3 898 B6R1.2 CC1=CC=NS1 MCULE-4163670775 [0,0,0,1,0,0|2,1,0]=4 899 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,1,0,0|1,0,2]=4 900 B6R1.2 CC1=CN=CO1 MCULE-4609626879 [0,0,0,1,0,0|2,0,0]=3 901 B6R1.2 CC1=CN=CS1 MCULE-8510377651 [0,0,0,1,0,0|2,1,0]=4 902 B6R1.2 CC1=CNC=C1 MCULE-9114555776 [0,0,0,1,0,0|3,0,0]=4 903 B6R1.2 CC1=CNC=N1 MCULE-9375719449 [0,0,0,1,0,0|3,0,0]=4 904 B6R1.2 CC1=COC=C1 MCULE-1597223627 [0,0,0,1,0,0|3,0,0]=4 905 B6R1.2 CC1=COC=N1 MCULE-3497089982 [0,0,0,1,0,0|3,0,0]=4 906 B6R1.2 CC1=CSC=C1 MCULE-1408158529 [0,0,0,1,0,0|3,0,0]=4 907 B6R1.2 CC1=CSC=N1 MCULE-3711308900 [0,0,0,1,0,0|3,0,0]=4 908 B6R1.2 CC1=NC=CN1 MCULE-4484196639 [0,0,0,1,0,0|2,0,0]=3 909 B6R1.2 CC1=NC=CO1 MCULE-7894525701 [0,0,0,1,0,0|1,0,0]=2 910 B6R1.2 CC1=NC=CS1 MCULE-6863408892 [0,0,0,1,0,0|1,1,0]=3 911 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,0,0,1,0,0|1,0,2]=4 912 B6R1.2 CC1=NN=CN1 MCULE-4297826922 [0,0,0,1,0,0|3,0,0]=4 913 B6R1.2 CC1=NN=CO1 MCULE-5138394000 [0,0,0,1,0,0|2,0,0]=3 914 B6R1.2 CC1=NN=CS1 MCULE-5068390093 [0,0,0,1,0,0|2,1,0]=4 915 B6R1.2 CC1=NOC=C1 MCULE-1572732397 [0,0,0,1,0,0|3,0,0]=4 916 B6R1.2 CC1=NOC=N1 MCULE-5841548711 [0,0,0,1,0,0|3,0,0]=4 917 B6R1.2 CC1=NSC=C1 MCULE-6941128185 [0,0,0,1,0,0|3,0,0]=4 918 B6R1.2 CN1C=CC=C1 MCULE-4929965979 [0,0,0,1,0,0|3,0,0]=4 919 B6R1.2 CN1C=CC=N1 MCULE-9409141633 [0,0,0,1,0,0|3,0,0]=4 920 B6R1.2 CN1CC=CC1 MCULE-2586884916 [0,0,0,1,0,0|3,0,0]=4 921 B6R1.2 ClC1=CC=CO1 MCULE-3538307465 [0,0,0,1,0,0|1,0,1]=3 922 B6R1.2 ClC1=CC=CS1 MCULE-2640438050 [0,0,0,1,0,0|1,1,1]=4 923 B6R1.2 ClC1=NC=CN1 MCULE-6072122645 [0,0,0,1,0,0|3,0,0]=4 924 B6R1.2 ClC1=NC=CO1 MCULE-1860416745 [0,0,0,1,0,0|2,0,0]=3 925 B6R1.2 ClC1=NC=CO1 MCULE-4765528658 [0,0,0,1,0,0|2,0,0]=3 926 B6R1.2 ClC1=NC=CS1 MCULE-6673458969 [0,0,0,1,0,0|2,1,0]=4 927 B6R1.2 FC1=CC=CS1 MCULE-5362233873 [0,0,0,1,0,0|1,1,1]=4 928 B6R1.2 FC1=NC=CN1 MCULE-1860701993 [0,0,0,1,0,0|3,0,0]=4 929 B6R1.2 FC1=NC=CN1 MCULE-5026249596 [0,0,0,1,0,0|3,0,0]=4 930 B6R1.2 FC1=NC=CS1 MCULE-3710058771 [0,0,0,1,0,0|2,1,0]=4 931 B6R1.2 IC1=CC=CO1 MCULE-6467830719 [0,0,0,1,0,0|1,0,1]=3 932 B6R1.2 IC1=CC=CS1 MCULE-6025659368 [0,0,0,1,0,0|1,1,1]=4 933 B6R1.2 IC1=NC=CN1 MCULE-1690537323 [0,0,0,1,0,0|3,0,0]=4 934 B6R1.2 IC1=NC=CO1 MCULE-2254947090 [0,0,0,1,0,0|2,0,0]=3 935 B6R1.2 IC1=NC=CS1 MCULE-9500451238 [0,0,0,1,0,0|2,1,0]=4 936 B6R1.2 NC1=CC=CN1 MCULE-5653620818 [0,0,0,1,0,0|2,0,1]=4 937 B6R1.2 NC1=CC=CN1 MCULE-9753432085 [0,0,0,1,0,0|2,0,1]=4 938 B6R1.2 NC1=CC=CO1 MCULE-2421139965 [0,0,0,1,0,0|1,0,1]=3 939 B6R1.2 NC1=CC=CS1 MCULE-1649510352 [0,0,0,1,0,0|1,1,1]=4 940 B6R1.2 NC1=CC=CS1 MCULE-9501271303 [0,0,0,1,0,0|1,1,1]=4 941 B6R1.2 NC1=CC=NO1 MCULE-3638275568 [0,0,0,1,0,0|2,0,1]=4 942 B6R1.2 NC1=CN=CO1 MCULE-4492961257 [0,0,0,1,0,0|2,0,1]=4 943 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [0,0,0,1,0,0|3,0,0]=4 944 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [0,0,0,1,0,0|3,0,0]=4 945 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [0,0,0,1,0,0|3,0,0]=4 946 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [0,0,0,1,0,0|3,0,0]=4 947 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [0,0,0,1,0,0|2,0,0]=3 948 B6R1.2 NC1=NC=CS1 MCULE-1506905792 [0,0,0,1,0,0|2,1,0]=4 949 B6R1.2 NC1=NC=CS1 MCULE-8550608343 [0,0,0,1,0,0|2,1,0]=4 950 B6R1.2 NC1=NN=CO1 MCULE-9653146681 [0,0,0,1,0,0|3,0,0]=4 951 B6R1.2 NC1CC=CC1 MCULE-3815719332 [0,0,0,1,0,0|2,0,1]=4 952 B6R1.2 NC1CC=CC1 MCULE-9984030144 [0,0,0,1,0,0|2,0,1]=4 953 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,0,0,1,0,0|1,0,1]=3 954 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,0,0,1,0,0|1,0,2]=4 955 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,0,0,1,0,0|0,0,2]=3 956 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [0,0,0,1,0,0|0,1,2]=4 957 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [0,0,0,1,0,0|2,0,1]=4 958 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [0,0,0,1,0,0|2,0,0]=3 959 B6R1.2 O=C1C=CSN1 MCULE-6820517860 [0,0,0,1,0,0|2,0,1]=4 960 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [0,0,0,1,0,0|1,0,0]=2 961 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [0,0,0,1,0,0|2,0,0]=3 962 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,0,0,1,0,0|1,0,2]=4 963 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,0,0,1,0,0|1,0,2]=4 964 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,1,0,0|0,0,2]=3 965 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,0,0,1,0,0|0,1,2]=4 966 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,0,0,1,0,0|2,0,1]=4 967 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,0,0,1,0,0|2,0,1]=4 968 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,0,0,1,0,0|2,0,1]=4 969 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,1,0,0|2,0,1]=4 970 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,1,0,0|2,0,1]=4 971 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,0,0,1,0,0|2,0,1]=4 972 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,0,0,1,0,0|2,0,1]=4 973 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,0,0,1,0,0|2,0,1]=4 974 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,0,0,1,0,0|2,0,1]=4 975 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,0,0,1,0,0|2,0,1]=4 976 B6R1.2 O=C1N=CN=N1 MCULE-3721166402 [0,0,0,1,0,0|3,0,0]=4 977 B6R1.2 O=C1NC=CN1 MCULE-6249170076 [0,0,0,1,0,0|2,0,0]=3 978 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [0,0,0,1,0,0|1,0,0]=2 979 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [0,0,0,1,0,0|1,1,0]=3 980 B6R1.2 O=C1NC=NN1 MCULE-8685001700 [0,0,0,1,0,0|3,0,0]=4 981 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,0,0,1,0,0|1,0,2]=4 982 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [0,0,0,1,0,0|1,0,0]=2 983 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,0,0,1,0,0|1,0,2]=4 984 B6R1.2 OC1=CC=CO1 MCULE-7591676996 [0,0,0,1,0,0|0,0,2]=3 985 B6R1.2 OC1=CC=CS1 MCULE-8044830478 [0,0,0,1,0,0|0,1,2]=4 986 B6R1.2 OC1=NN=CO1 MCULE-5444445027 [0,0,0,1,0,0|2,0,1]=4 987 B6R1.2 OC1CC=CC1 MCULE-6176562196 [0,0,0,1,0,0|1,0,2]=4 988 B6R1.2 S=C1NC=CO1 MCULE-6706918798 [0,0,0,1,0,0|1,1,0]=3 989 B6R1.2 S=C1SC=CS1 MCULE-7239273248 [0,0,0,1,0,0|1,2,0]=4 990 B6R1.2 SC1=CC=CS1 MCULE-8882266878 [0,0,0,1,0,0|0,2,1]=4 991 B6R1.2 SC1=NC=CN1 MCULE-1550904171 [0,0,0,1,0,0|2,1,0]=4 992 B6R1.2 SC1=NC=CS1 MCULE-4142949987 [0,0,0,1,0,0|1,2,0]=4 993 B6R1.2 SC1=NN=CO1 MCULE-5180923337 [0,0,0,1,0,0|2,1,0]=4 994 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [0,0,0,1,0,0|2,0,0]=3 995 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,0,0,1,0,0|0,0,0]=1 996 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,0,0,1,0,0|2,0,1]=4 997 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,0,0,1,0,0|2,0,1]=4 998 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,0,0,1,0,0|1,0,2]=4 999 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,0,0,1,0,0|1,0,2]=4 1000 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,0,0,1,0,0|0,0,2]=3 1001 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,0,0,1,0,0|2,0,1]=4 1002 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,0,0,1,0,0|2,0,1]=4 1003 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,0,0,1,0,0|0,0,2]=3 1004 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,0,0,1,0,0|2,0,1]=4 1005 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,0,0,1,0,0|2,0,1]=4 1006 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,0,0,1,0,0|2,0,1]=4 1007 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,0,0,1,0,0|2,0,1]=4 1008 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,0,0,1,0,0|2,0,1]=4 1009 B6R1.10 O=S1(=O)C=CC1 MCULE-7285340589 [0,0,0,1,0,0|3,0,0]=4 1010 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,0,0,1,0,0|1,0,2]=4 1011 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,0,0,1,0,0|2,0,1]=4 1012 B3R0.1 Br/C=C/Br MCULE-6284547614 [2,0,0,0,0,0|2,0,0]=4 1013 B3R0.1 BrC=CBr MCULE-4478409345 [2,0,0,0,0,0|2,0,0]=4 1014 B3R0.1 C#CC=O MCULE-4187736819 [2,0,0,0,0,0|0,0,2]=4 1015 B3R0.1 C/C=C/Br MCULE-4076369660 [2,0,0,0,0,0|1,0,0]=3 1016 B3R0.1 C/C=N/O MCULE-2376410404 [2,0,0,0,0,0|2,0,0]=4 1017 B3R0.1 C=CC#N MCULE-8176403366 [2,0,0,0,0,0|1,0,1]=4 1018 B3R0.1 C=CC=C MCULE-4134157329 [2,0,0,0,0,0|0,0,1]=3 1019 B3R0.1 C=CC=O MCULE-2104890669 [2,0,0,0,0,0|0,0,0]=2 1020 B3R0.1 C=CCBr MCULE-9486454833 [2,0,0,0,0,0|1,0,1]=4 1021 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|0,0,1]=3 1022 B3R0.1 C=CCCl MCULE-4067772785 [2,0,0,0,0,0|1,0,1]=4 1023 B3R0.1 C=CCF MCULE-7783191980 [2,0,0,0,0,0|1,0,1]=4 1024 B3R0.1 C=CCI MCULE-5037698873 [2,0,0,0,0,0|1,0,1]=4 1025 B3R0.1 C=CCN MCULE-2424616806 [2,0,0,0,0,0|1,0,1]=4 1026 B3R0.1 C=CCN MCULE-2473480946 [2,0,0,0,0,0|1,0,1]=4 1027 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|0,0,2]=4 1028 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|0,1,1]=4 1029 B3R0.1 C=COC MCULE-4880746684 [2,0,0,0,0,0|0,0,0]=2 1030 B3R0.1 CC=CBr MCULE-2098755460 [2,0,0,0,0,0|1,0,0]=3 1031 B3R0.1 CC=CCl MCULE-9225887510 [2,0,0,0,0,0|1,0,0]=3 1032 B3R0.1 CC=NO MCULE-9761317381 [2,0,0,0,0,0|2,0,0]=4 1033 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|0,0,2]=4 1034 B3R0.1 CCON MCULE-5316082054 [2,0,0,0,0,0|1,0,1]=4 1035 B3R0.1 CCON MCULE-6621418839 [2,0,0,0,0,0|1,0,1]=4 1036 B3R0.1 CCO[NH3+] MCULE-7670481464 [2,0,0,0,0,0|1,0,1]=4 1037 B3R0.1 CCO[NH3+] MCULE-7871083232 [2,0,0,0,0,0|1,0,1]=4 1038 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|1,0,1]=4 1039 B3R0.1 CNC=S MCULE-1018523469 [2,0,0,0,0,0|2,0,0]=4 1040 B3R0.1 CNOC MCULE-1706082503 [2,0,0,0,0,0|1,0,1]=4 1041 B3R0.1 CNOC MCULE-6224540090 [2,0,0,0,0,0|1,0,1]=4 1042 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|0,0,1]=3 1043 B3R0.1 COCBr MCULE-2566721472 [2,0,0,0,0,0|1,0,1]=4 1044 B3R0.1 COCCl MCULE-5928768006 [2,0,0,0,0,0|1,0,1]=4 1045 B3R0.1 COCI MCULE-5215132549 [2,0,0,0,0,0|1,0,1]=4 1046 B3R0.1 Cl/C=C/Cl MCULE-8326307647 [2,0,0,0,0,0|2,0,0]=4 1047 B3R0.1 Cl/C=C\Cl MCULE-8638364223 [2,0,0,0,0,0|2,0,0]=4 1048 B3R0.1 ClC=CCl MCULE-1709740532 [2,0,0,0,0,0|2,0,0]=4 1049 B3R0.1 F/C=C/Cl MCULE-6748930384 [2,0,0,0,0,0|2,0,0]=4 1050 B3R0.1 FC=CBr MCULE-3730796032 [2,0,0,0,0,0|2,0,0]=4 1051 B3R0.1 FC=CCl MCULE-8668714110 [2,0,0,0,0,0|2,0,0]=4 1052 B3R0.1 FC=CF MCULE-1668825245 [2,0,0,0,0,0|2,0,0]=4 1053 B3R0.1 NNC=O MCULE-6986968107 [2,0,0,0,0,0|2,0,0]=4 1054 B3R0.1 NOC=O MCULE-4489199776 [2,0,0,0,0,0|1,0,0]=3 1055 B3R0.1 O=CC=O MCULE-3212938778 [2,0,0,0,0,0|1,0,0]=3 1056 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|1,0,1]=4 1057 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|1,0,1]=4 1058 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|1,0,1]=4 1059 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|1,0,0]=3 1060 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|1,0,0]=3 1061 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|1,0,0]=3 1062 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|1,0,0]=3 1063 B3R0.2 C=C(Cl)Cl MCULE-1430323756 [2,0,0,0,0,0|2,0,0]=4 1064 B3R0.2 C=C(F)Cl MCULE-8528897253 [2,0,0,0,0,0|2,0,0]=4 1065 B3R0.2 C=C(F)F MCULE-2471767745 [2,0,0,0,0,0|2,0,0]=4 1066 B3R0.2 C=[N+](C)C MCULE-4450980212 [2,0,0,0,0,0|2,0,0]=4 1067 B3R0.2 C=[N+](C)C MCULE-5309464837 [2,0,0,0,0,0|2,0,0]=4 1068 B3R0.2 C=[N+](C)C MCULE-9321779445 [2,0,0,0,0,0|2,0,0]=4 1069 B3R0.2 CB(O)O MCULE-3510763826 [2,0,0,0,0,0|1,0,1]=4 1070 B3R0.2 CC(=N)N MCULE-3235425606 [2,0,0,0,0,0|2,0,0]=4 1071 B3R0.2 CC(=N)N MCULE-3546679379 [2,0,0,0,0,0|2,0,0]=4 1072 B3R0.2 CC(=N)N MCULE-3597638887 [2,0,0,0,0,0|2,0,0]=4 1073 B3R0.2 CC(=N)N MCULE-9831274654 [2,0,0,0,0,0|2,0,0]=4 1074 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|1,0,0]=3 1075 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|0,0,1]=3 1076 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|1,0,0]=3 1077 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|1,0,0]=3 1078 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|1,0,0]=3 1079 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|0,0,0]=2 1080 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|0,0,0]=2 1081 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|0,0,0]=2 1082 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|0,0,0]=2 1083 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|0,0,0]=2 1084 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|0,0,0]=2 1085 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|0,0,0]=2 1086 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|0,1,0]=3 1087 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|0,0,1]=3 1088 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|0,0,1]=3 1089 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|0,0,1]=3 1090 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|0,0,1]=3 1091 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|0,0,1]=3 1092 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|0,0,1]=3 1093 B3R0.2 CC(=S)N MCULE-4635097605 [2,0,0,0,0,0|1,1,0]=4 1094 B3R0.2 CC(=S)[O-] MCULE-1878530758 [2,0,0,0,0,0|0,1,1]=4 1095 B3R0.2 CC(C)O MCULE-6646752234 [2,0,0,0,0,0|1,0,1]=4 1096 B3R0.2 CN(=O)=O MCULE-8704524604 [2,0,0,0,0,0|1,0,1]=4 1097 B3R0.2 CN(C)O MCULE-6572915706 [2,0,0,0,0,0|2,0,0]=4 1098 B3R0.2 CN(C)O MCULE-6950647562 [2,0,0,0,0,0|2,0,0]=4 1099 B3R0.2 CP(=O)C MCULE-6150886622 [2,0,0,0,0,0|1,0,1]=4 1100 B3R0.2 CS(=O)C MCULE-2005841258 [2,0,0,0,0,0|1,0,1]=4 1101 B3R0.2 CS(=O)Cl MCULE-1292201352 [2,0,0,0,0,0|2,0,0]=4 1102 B3R0.2 CS(=O)N MCULE-5162949591 [2,0,0,0,0,0|2,0,0]=4 1103 B3R0.2 CS(=O)O MCULE-8711306710 [2,0,0,0,0,0|1,0,0]=3 1104 B3R0.2 CS(=O)[O-] MCULE-1437194827 [2,0,0,0,0,0|1,0,1]=4 1105 B3R0.2 C[Se](=O)C MCULE-4596040471 [2,0,0,0,0,0|1,0,1]=4 1106 B3R0.2 C[Se](=O)O MCULE-5568767851 [2,0,0,0,0,0|1,0,0]=3 1107 B3R0.2 NC(=O)N MCULE-3224868954 [2,0,0,0,0,0|2,0,0]=4 1108 B3R0.2 NC(=O)N MCULE-8513891094 [2,0,0,0,0,0|2,0,0]=4 1109 B3R0.2 NC(=O)O MCULE-1579038047 [2,0,0,0,0,0|1,0,0]=3 1110 B3R0.2 NC(=O)O MCULE-3232812015 [2,0,0,0,0,0|1,0,0]=3 1111 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [2,0,0,0,0,0|2,0,0]=4 1112 B3R0.2 O=C(O)O MCULE-3743781291 [2,0,0,0,0,0|1,0,0]=3 1113 B3R0.2 O=C(O)O MCULE-6373078171 [2,0,0,0,0,0|1,0,0]=3 1114 B3R0.2 O=C([O-])O MCULE-5529655359 [2,0,0,0,0,0|1,0,0]=3 1115 B3R0.2 O=C([O-])O MCULE-7293729150 [2,0,0,0,0,0|1,0,0]=3 1116 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [2,0,0,0,0,0|1,0,1]=4 1117 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [2,0,0,0,0,0|1,0,1]=4 1118 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [2,0,0,0,0,0|1,0,1]=4 1119 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [2,0,0,0,0,0|1,0,1]=4 1120 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [2,0,0,0,0,0|1,0,1]=4 1121 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [2,0,0,0,0,0|1,0,1]=4 1122 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [2,0,0,0,0,0|1,0,1]=4 1123 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [2,0,0,0,0,0|1,0,1]=4 1124 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [2,0,0,0,0,0|1,0,1]=4 1125 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [2,0,0,0,0,0|1,0,1]=4 1126 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [2,0,0,0,0,0|1,0,1]=4 1127 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [2,0,0,0,0,0|1,0,1]=4 1128 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [2,0,0,0,0,0|1,0,1]=4 1129 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [2,0,0,0,0,0|1,0,1]=4 1130 B3R0.2 O=I(=O)O MCULE-6335954469 [2,0,0,0,0,0|2,0,0]=4 1131 B3R0.2 O=I(=O)O MCULE-7906123102 [2,0,0,0,0,0|2,0,0]=4 1132 B3R0.2 O=N(=O)O MCULE-5926867268 [2,0,0,0,0,0|2,0,0]=4 1133 B3R0.2 O=N(=O)O MCULE-8501453871 [2,0,0,0,0,0|2,0,0]=4 1134 B3R0.2 O=P(=O)O MCULE-3007887617 [2,0,0,0,0,0|2,0,0]=4 1135 B3R0.2 O=P(O)O MCULE-8889145943 [2,0,0,0,0,0|2,0,0]=4 1136 B3R0.2 O=P([O-])O MCULE-3773885400 [2,0,0,0,0,0|2,0,0]=4 1137 B3R0.2 O=P([O-])O MCULE-6745348516 [2,0,0,0,0,0|2,0,0]=4 1138 B3R0.2 O=S(=O)O MCULE-7070708516 [2,0,0,0,0,0|2,0,0]=4 1139 B3R0.2 O=S(O)O MCULE-3188569799 [2,0,0,0,0,0|2,0,0]=4 1140 B3R0.2 O=S(O)O MCULE-7812738469 [2,0,0,0,0,0|2,0,0]=4 1141 B3R0.2 O=[Se](O)O MCULE-9081277469 [2,0,0,0,0,0|2,0,0]=4 1142 B3R0.2 O=[Si](O)O MCULE-3228936275 [2,0,0,0,0,0|1,1,0]=4 1143 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,1,0,0,0,0|0,0,2]=4 1144 B5R0.3 C#CC(=O)NC MCULE-8852565705 [1,1,0,0,0,0|0,0,2]=4 1145 B5R0.3 C#CC(=O)OC MCULE-5108326717 [1,1,0,0,0,0|0,0,2]=4 1146 B5R0.3 C/C(=C\Br)/C#N MCULE-5132213304 [1,1,0,0,0,0|2,0,0]=4 1147 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,1,0,0,0,0|1,0,0]=3 1148 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,1,0,0,0,0|1,0,1]=4 1149 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,1,0,0,0,0|0,0,1]=3 1150 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,1,0,0,0,0|1,0,1]=4 1151 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,1,0,0,0,0|2,0,0]=4 1152 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [1,1,0,0,0,0|1,0,0]=3 1153 B5R0.3 C=CC(=CC)C MCULE-8585683674 [1,1,0,0,0,0|1,0,0]=3 1154 B5R0.3 C=CC(=O)C=C MCULE-8555160354 [1,1,0,0,0,0|0,0,1]=3 1155 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,1,0,0,0,0|0,0,0]=2 1156 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,1,0,0,0,0|0,0,0]=2 1157 B5R0.3 C=CC(=O)NN MCULE-4327484127 [1,1,0,0,0,0|1,0,0]=3 1158 B5R0.3 C=CC(=O)NN MCULE-4961696321 [1,1,0,0,0,0|1,0,0]=3 1159 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,1,0,0,0,0|1,0,0]=3 1160 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,1,0,0,0,0|0,0,0]=2 1161 B5R0.3 C=CC(C)C#N MCULE-7507500865 [1,1,0,0,0,0|1,0,1]=4 1162 B5R0.3 C=CC(C)CC MCULE-8112547661 [1,1,0,0,0,0|1,0,1]=4 1163 B5R0.3 C=CC(C)NC MCULE-1929679074 [1,1,0,0,0,0|1,0,1]=4 1164 B5R0.3 C=CC(C)NC MCULE-6382339452 [1,1,0,0,0,0|1,0,1]=4 1165 B5R0.3 C=CC(C)ON MCULE-2385478473 [1,1,0,0,0,0|0,0,2]=4 1166 B5R0.3 C=CC(C)ON MCULE-3428023923 [1,1,0,0,0,0|0,0,2]=4 1167 B5R0.3 C=CC(Cl)CCl MCULE-8000466907 [1,1,0,0,0,0|1,0,1]=4 1168 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,1,0,0,0,0|1,0,1]=4 1169 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,1,0,0,0,0|1,0,1]=4 1170 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,1,0,0,0,0|1,0,1]=4 1171 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,1,0,0,0,0|1,0,1]=4 1172 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,1,0,0,0,0|1,0,1]=4 1173 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,1,0,0,0,0|1,0,1]=4 1174 B5R0.3 C=CC(O)CBr MCULE-3538023814 [1,1,0,0,0,0|0,0,2]=4 1175 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,1,0,0,0,0|0,0,2]=4 1176 B5R0.3 C=CC(O)CN MCULE-3472823475 [1,1,0,0,0,0|0,0,2]=4 1177 B5R0.3 C=CC(O)CO MCULE-6172654550 [1,1,0,0,0,0|0,0,2]=4 1178 B5R0.3 C=CS(=O)C=C MCULE-5650907653 [1,1,0,0,0,0|1,0,1]=4 1179 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,1,0,0,0,0|1,0,1]=4 1180 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,1,0,0,0,0|1,0,1]=4 1181 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,1,0,0,0,0|1,0,1]=4 1182 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,1,0,0,0,0|1,0,1]=4 1183 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [1,1,0,0,0,0|0,0,2]=4 1184 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,1,0,0,0,0|1,0,1]=4 1185 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,1,0,0,0,0|1,0,1]=4 1186 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,1,0,0,0,0|1,0,1]=4 1187 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,1,0,0,0,0|1,0,1]=4 1188 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [1,1,0,0,0,0|0,0,2]=4 1189 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [1,1,0,0,0,0|0,0,2]=4 1190 B5R0.3 CC(=CBr)C#N MCULE-9263455697 [1,1,0,0,0,0|2,0,0]=4 1191 B5R0.3 CC(=CCl)CCl MCULE-2732105685 [1,1,0,0,0,0|2,0,0]=4 1192 B5R0.3 CC(=CI)CI MCULE-3347686188 [1,1,0,0,0,0|2,0,0]=4 1193 B5R0.3 CC(=CI)CO MCULE-8491569199 [1,1,0,0,0,0|1,0,1]=4 1194 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,1,0,0,0,0|1,0,0]=3 1195 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [1,1,0,0,0,0|1,0,1]=4 1196 B5R0.3 CC=C(C)C#N MCULE-4009455127 [1,1,0,0,0,0|1,0,1]=4 1197 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,1,0,0,0,0|0,0,1]=3 1198 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,1,0,0,0,0|1,0,1]=4 1199 B5R0.3 CC=C(C)CCl MCULE-2444762050 [1,1,0,0,0,0|1,0,1]=4 1200 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,1,0,0,0,0|1,0,1]=4 1201 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,1,0,0,0,0|1,0,1]=4 1202 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,1,0,0,0,0|0,0,2]=4 1203 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,1,0,0,0,0|0,0,2]=4 1204 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,1,0,0,0,0|0,0,2]=4 1205 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,1,0,0,0,0|0,0,2]=4 1206 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,1,0,0,0,0|0,0,2]=4 1207 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,1,0,0,0,0|0,0,2]=4 1208 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,1,0,0,0,0|0,0,2]=4 1209 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,1,0,0,0,0|2,0,0]=4 1210 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,1,0,0,0,0|2,0,0]=4 1211 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,1,0,0,0,0|0,0,1]=3 1212 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,1,0,0,0,0|0,0,2]=4 1213 B5R0.3 CN(C=O)C=O MCULE-7774435044 [1,1,0,0,0,0|2,0,0]=4 1214 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,1,0,0,0,0|1,0,1]=4 1215 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,1,0,0,0,0|1,0,1]=4 1216 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,1,0,0,0,0|1,0,1]=4 1217 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,1,0,0,0,0|1,0,1]=4 1218 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,1,0,0,0,0|1,0,1]=4 1219 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,1,0,0,0,0|1,0,1]=4 1220 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,1,0,0,0,0|1,0,1]=4 1221 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,1,0,0,0,0|1,0,1]=4 1222 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,1,0,0,0,0|2,0,0]=4 1223 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,1,0,0,0,0|0,0,1]=3 1224 B5R0.3 COC(=N)CCl MCULE-2713131753 [1,1,0,0,0,0|1,0,1]=4 1225 B5R0.3 COC(=N)CCl MCULE-6471252676 [1,1,0,0,0,0|1,0,1]=4 1226 B5R0.3 COC(=O)C#N MCULE-8762838190 [1,1,0,0,0,0|0,0,2]=4 1227 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,1,0,0,0,0|1,0,0]=3 1228 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,1,0,0,0,0|0,0,1]=3 1229 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,1,0,0,0,0|0,0,1]=3 1230 B5R0.3 COC(=O)CF MCULE-4367430175 [1,1,0,0,0,0|0,0,1]=3 1231 B5R0.3 COC(=O)CI MCULE-9545584156 [1,1,0,0,0,0|0,0,1]=3 1232 B5R0.3 COC(=O)CN MCULE-7462799100 [1,1,0,0,0,0|0,0,1]=3 1233 B5R0.3 COC(=O)CN MCULE-8887061469 [1,1,0,0,0,0|0,0,1]=3 1234 B5R0.3 COC(=O)CO MCULE-8734582763 [1,1,0,0,0,0|0,0,1]=3 1235 B5R0.3 COC(=O)CS MCULE-3020830180 [1,1,0,0,0,0|0,0,1]=3 1236 B5R0.3 COC(=O)NN MCULE-2637794839 [1,1,0,0,0,0|1,0,1]=4 1237 B5R0.3 COC(=O)OC MCULE-7488725621 [1,1,0,0,0,0|0,0,1]=3 1238 B5R0.3 COC(=O)SCl MCULE-1018411491 [1,1,0,0,0,0|1,0,1]=4 1239 B5R0.3 COC(=S)SC MCULE-7665194168 [1,1,0,0,0,0|0,1,1]=4 1240 B5R0.3 CON(C)C=O MCULE-6743121315 [1,1,0,0,0,0|1,0,1]=4 1241 B5R0.3 COS(=O)OC MCULE-9352053920 [1,1,0,0,0,0|1,0,1]=4 1242 B5R0.3 CSC(=O)SC MCULE-7167992573 [1,1,0,0,0,0|0,1,1]=4 1243 B5R0.3 Cl/C=C(\Cl)/CCl MCULE-8945457634 [1,1,0,0,0,0|2,0,0]=4 1244 B5R0.3 ClC=C(Cl)CCl MCULE-5187224514 [1,1,0,0,0,0|2,0,0]=4 1245 B5R0.3 NCC(=O)CN MCULE-2420991481 [1,1,0,0,0,0|1,0,1]=4 1246 B5R0.3 NCC(=O)CN MCULE-8626789745 [1,1,0,0,0,0|1,0,1]=4 1247 B5R0.3 NCC(=O)NN MCULE-2318099199 [1,1,0,0,0,0|2,0,0]=4 1248 B5R0.3 NCC(=O)NN MCULE-3392354502 [1,1,0,0,0,0|2,0,0]=4 1249 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,1,0,0,0,0|2,0,0]=4 1250 B5R0.3 NNC(=O)CCl MCULE-2158347473 [1,1,0,0,0,0|2,0,0]=4 1251 B5R0.3 NNC(=O)CCl MCULE-9762553206 [1,1,0,0,0,0|2,0,0]=4 1252 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,1,0,0,0,0|2,0,0]=4 1253 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,1,0,0,0,0|2,0,0]=4 1254 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [1,1,0,0,0,0|1,0,1]=4 1255 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [1,1,0,0,0,0|1,0,1]=4 1256 B5R0.3 O=C(CF)CF MCULE-8790300272 [1,1,0,0,0,0|1,0,1]=4 1257 B5R0.3 O=C(CO)CO MCULE-7188810449 [1,1,0,0,0,0|1,0,1]=4 1258 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [1,1,0,0,0,0|2,0,0]=4 1259 B5R0.3 O=CC(=C[O-])F MCULE-8068241665 [1,1,0,0,0,0|2,0,0]=4 1260 B5R0.3 O=CC(=C[O-])F MCULE-9099292239 [1,1,0,0,0,0|2,0,0]=4 1261 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,1,0,0,0,0|1,0,0]=3 1262 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [1,1,0,0,0,0|1,0,1]=4 1263 B5R0.4 C=CC(C)(C)C MCULE-9118431864 [1,1,0,0,0,0|1,0,1]=4 1264 B5R0.4 C=CC(C)(C)Cl MCULE-4502558407 [1,1,0,0,0,0|1,0,1]=4 1265 B5R0.4 C=CC(C)(C)N MCULE-2016559865 [1,1,0,0,0,0|1,0,1]=4 1266 B5R0.4 C=CC(C)(C)N MCULE-2690537002 [1,1,0,0,0,0|1,0,1]=4 1267 B5R0.4 C=CC(C)(C)O MCULE-5809739830 [1,1,0,0,0,0|0,0,2]=4 1268 B5R0.4 C=CC(C)(Cl)Cl MCULE-7431364327 [1,1,0,0,0,0|1,0,1]=4 1269 B5R0.4 C=CP(=O)(O)O MCULE-3783505051 [1,1,0,0,0,0|2,0,0]=4 1270 B5R0.4 C=CS(=O)(=O)C MCULE-9709633620 [1,1,0,0,0,0|1,0,0]=3 1271 B5R0.4 C=CS(=O)(=O)Cl MCULE-9752322572 [1,1,0,0,0,0|2,0,0]=4 1272 B5R0.4 C=CS(=O)(=O)F MCULE-6614982622 [1,1,0,0,0,0|2,0,0]=4 1273 B5R0.4 C=CS(=O)(=O)N MCULE-7350624756 [1,1,0,0,0,0|2,0,0]=4 1274 B5R0.4 C=CS(=O)(=O)O MCULE-2196938026 [1,1,0,0,0,0|2,0,0]=4 1275 B5R0.4 C=CS(=O)(=O)[O-] MCULE-8568044801 [1,1,0,0,0,0|2,0,0]=4 1276 B5R0.4 C=C[N+](C)(C)C MCULE-1874033627 [1,1,0,0,0,0|2,0,0]=4 1277 B5R0.4 C=C[N+](C)(C)C MCULE-3871229486 [1,1,0,0,0,0|2,0,0]=4 1278 B5R0.4 C=C[Si](C)(C)C MCULE-1884850322 [1,1,0,0,0,0|1,1,0]=4 1279 B5R0.4 C=C[Si](C)(C)Cl MCULE-3962013421 [1,1,0,0,0,0|1,1,0]=4 1280 B5R0.4 C=C[Si](C)(Cl)Cl MCULE-7977866277 [1,1,0,0,0,0|1,1,0]=4 1281 B5R0.4 COS(=O)(=O)C MCULE-4411511042 [1,1,0,0,0,0|1,0,1]=4 1282 B5R0.4 CS(=O)(=O)ON MCULE-7541219823 [1,1,0,0,0,0|2,0,0]=4 1283 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [1,1,0,0,0,0|1,0,0]=3 1284 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [1,1,0,0,0,0|1,0,0]=3 1285 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,1,0,0,0,0|0,0,0]=2 1286 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [1,1,0,0,0,0|1,0,0]=3 1287 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,1,0,0,0,0|1,0,0]=3 1288 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,1,0,0,0,0|1,0,0]=3 1289 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [1,1,0,0,0,0|1,0,0]=3 1290 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [1,1,0,0,0,0|1,0,0]=3 1291 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [1,1,0,0,0,0|1,0,0]=3 1292 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [1,1,0,0,0,0|1,0,1]=4 1293 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [1,1,0,0,0,0|1,0,1]=4 1294 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,1,0,0,0,0|0,0,2]=4 1295 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [1,1,0,0,0,0|1,0,0]=3 1296 B5R0.5 C=C(F)C(=O)Cl MCULE-6769824615 [1,1,0,0,0,0|1,0,0]=3 1297 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [1,1,0,0,0,0|1,0,0]=3 1298 B5R0.5 C=C(F)C(=O)[O-] MCULE-1806853701 [1,1,0,0,0,0|1,0,0]=3 1299 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [1,1,0,0,0,0|1,0,1]=4 1300 B5R0.5 CC(=C(C)C)C MCULE-2888318026 [1,1,0,0,0,0|1,0,1]=4 1301 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [1,1,0,0,0,0|0,0,1]=3 1302 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [1,1,0,0,0,0|1,0,0]=3 1303 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,1,0,0,0,0|1,0,0]=3 1304 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,1,0,0,0,0|1,0,0]=3 1305 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [1,1,0,0,0,0|1,0,0]=3 1306 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [1,1,0,0,0,0|1,0,0]=3 1307 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [1,1,0,0,0,0|1,0,0]=3 1308 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [1,1,0,0,0,0|1,0,0]=3 1309 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,1,0,0,0,0|0,0,2]=4 1310 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,1,0,0,0,0|0,0,2]=4 1311 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,1,0,0,0,0|0,0,2]=4 1312 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,1,0,0,0,0|0,0,2]=4 1313 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,1,0,0,0,0|0,0,2]=4 1314 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,1,0,0,0,0|0,0,2]=4 1315 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,1,0,0,0,0|0,0,2]=4 1316 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,1,0,0,0,0|0,0,2]=4 1317 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [1,1,0,0,0,0|1,0,1]=4 1318 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [1,1,0,0,0,0|1,0,1]=4 1319 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,1,0,0,0,0|1,0,1]=4 1320 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,1,0,0,0,0|1,0,1]=4 1321 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,1,0,0,0,0|0,0,2]=4 1322 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,1,0,0,0,0|0,0,2]=4 1323 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,1,0,0,0,0|0,0,2]=4 1324 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,1,0,0,0,0|0,0,2]=4 1325 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [1,1,0,0,0,0|2,0,0]=4 1326 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,1,0,0,0,0|2,0,0]=4 1327 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [1,1,0,0,0,0|2,0,0]=4 1328 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [1,1,0,0,0,0|2,0,0]=4 1329 B5R0.5 O=C(Br)C(=O)Br MCULE-6502494359 [1,1,0,0,0,0|2,0,0]=4 1330 B5R0.5 O=C(Cl)C(=O)Cl MCULE-7263932124 [1,1,0,0,0,0|2,0,0]=4 1331 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [1,1,0,0,0,0|2,0,0]=4 1332 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [1,1,0,0,0,0|2,0,0]=4 1333 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [1,1,0,0,0,0|2,0,0]=4 1334 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [1,1,0,0,0,0|2,0,0]=4 1335 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [1,1,0,0,0,0|2,0,0]=4 1336 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [1,1,0,0,0,0|2,0,0]=4 1337 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [1,1,0,0,0,0|2,0,0]=4 1338 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [1,1,0,0,0,0|2,0,0]=4 1339 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [1,1,0,0,0,0|2,0,0]=4 1340 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [1,1,0,0,0,0|2,0,0]=4 1341 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [1,1,0,0,0,0|2,0,0]=4 1342 B5R0.5 O=C([O-])C(=O)[O-] MCULE-1850167183 [1,1,0,0,0,0|2,0,0]=4 1343 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2102182772 [1,1,0,0,0,0|2,0,0]=4 1344 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2594600365 [1,1,0,0,0,0|2,0,0]=4 1345 B5R0.5 O=C([O-])C(=O)[O-] MCULE-2876490980 [1,1,0,0,0,0|2,0,0]=4 1346 B5R0.5 O=C([O-])C(=O)[O-] MCULE-4875218588 [1,1,0,0,0,0|2,0,0]=4 1347 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6598296804 [1,1,0,0,0,0|2,0,0]=4 1348 B5R0.5 O=C([O-])C(=O)[O-] MCULE-6729461006 [1,1,0,0,0,0|2,0,0]=4 1349 B5R0.5 O=C([O-])C(=O)[O-] MCULE-7607695802 [1,1,0,0,0,0|2,0,0]=4 1350 B5R0.2 C/C=C/C=C/C MCULE-9400628806 [1,1,0,0,0,0|1,0,0]=3 1351 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,1,0,0,0,0|1,0,1]=4 1352 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,1,0,0,0,0|0,0,1]=3 1353 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,1,0,0,0,0|1,0,1]=4 1354 B5R0.2 C=C/C=C/C=C MCULE-2938938774 [1,1,0,0,0,0|1,0,1]=4 1355 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,1,0,0,0,0|1,0,0]=3 1356 B5R0.2 C=C=COC=C MCULE-3691748324 [1,1,0,0,0,0|0,0,1]=3 1357 B5R0.2 C=CC#CCO MCULE-5199716906 [1,1,0,0,0,0|1,0,1]=4 1358 B5R0.2 C=CC/C=C/C MCULE-8732875285 [1,1,0,0,0,0|1,0,0]=3 1359 B5R0.2 C=CCC=CC MCULE-8643449832 [1,1,0,0,0,0|1,0,0]=3 1360 B5R0.2 C=CCCC=C MCULE-2599309974 [1,1,0,0,0,0|1,0,1]=4 1361 B5R0.2 C=CCCC=O MCULE-7850336174 [1,1,0,0,0,0|1,0,0]=3 1362 B5R0.2 C=CCCCBr MCULE-5027518679 [1,1,0,0,0,0|1,0,1]=4 1363 B5R0.2 C=CCCCC MCULE-4750698031 [1,1,0,0,0,0|1,0,1]=4 1364 B5R0.2 C=CCCCCl MCULE-3877430809 [1,1,0,0,0,0|1,0,1]=4 1365 B5R0.2 C=CCCCI MCULE-8692831514 [1,1,0,0,0,0|1,0,1]=4 1366 B5R0.2 C=CCCCN MCULE-5787926547 [1,1,0,0,0,0|1,0,1]=4 1367 B5R0.2 C=CCCCN MCULE-7346989227 [1,1,0,0,0,0|1,0,1]=4 1368 B5R0.2 C=CCCCO MCULE-5946342321 [1,1,0,0,0,0|1,0,1]=4 1369 B5R0.2 C=CCCNC MCULE-2124263362 [1,1,0,0,0,0|1,0,1]=4 1370 B5R0.2 C=CCCNC MCULE-5024925990 [1,1,0,0,0,0|1,0,1]=4 1371 B5R0.2 C=CCCOC MCULE-4681354270 [1,1,0,0,0,0|1,0,1]=4 1372 B5R0.2 C=CCN=C=O MCULE-3142552406 [1,1,0,0,0,0|1,0,1]=4 1373 B5R0.2 C=CCNC=O MCULE-1911798514 [1,1,0,0,0,0|1,0,0]=3 1374 B5R0.2 C=CCNCC MCULE-6987567673 [1,1,0,0,0,0|1,0,1]=4 1375 B5R0.2 C=CCNCC MCULE-8318544337 [1,1,0,0,0,0|1,0,1]=4 1376 B5R0.2 C=CCOC=C MCULE-7085070702 [1,1,0,0,0,0|0,0,1]=3 1377 B5R0.2 C=CCOC=O MCULE-4161785970 [1,1,0,0,0,0|0,0,0]=2 1378 B5R0.2 C=CCOCC MCULE-4363356618 [1,1,0,0,0,0|0,0,1]=3 1379 B5R0.2 C=CCOCCl MCULE-6656252526 [1,1,0,0,0,0|1,0,1]=4 1380 B5R0.2 C=CCONC MCULE-4537899476 [1,1,0,0,0,0|1,0,0]=3 1381 B5R0.2 C=CCONC MCULE-9645204142 [1,1,0,0,0,0|1,0,0]=3 1382 B5R0.2 C=CCSCC MCULE-3816911529 [1,1,0,0,0,0|0,1,1]=4 1383 B5R0.2 C=CCSSC MCULE-8417830164 [1,1,0,0,0,0|1,1,0]=4 1384 B5R0.2 C=COCCC MCULE-4423853666 [1,1,0,0,0,0|0,0,1]=3 1385 B5R0.2 C=COCCCl MCULE-7782311030 [1,1,0,0,0,0|0,0,1]=3 1386 B5R0.2 C=COCCN MCULE-8052872924 [1,1,0,0,0,0|0,0,1]=3 1387 B5R0.2 C=COCCN MCULE-8496820259 [1,1,0,0,0,0|0,0,1]=3 1388 B5R0.2 C=COCCO MCULE-9383372818 [1,1,0,0,0,0|0,0,1]=3 1389 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,1,0,0,0,0|1,0,1]=4 1390 B5R0.2 CC=CC=CC MCULE-7702675183 [1,1,0,0,0,0|1,0,0]=3 1391 B5R0.2 CC=CCCC MCULE-8736231124 [1,1,0,0,0,0|1,0,1]=4 1392 B5R0.2 CC=COCC MCULE-1473170404 [1,1,0,0,0,0|0,0,1]=3 1393 B5R0.2 CC=CSSC MCULE-2442770677 [1,1,0,0,0,0|1,1,0]=4 1394 B5R0.2 CCC=CC=O MCULE-1318250395 [1,1,0,0,0,0|1,0,1]=4 1395 B5R0.2 CCCOC=O MCULE-3133604529 [1,1,0,0,0,0|0,0,2]=4 1396 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,1,0,0,0,0|0,0,1]=3 1397 B5R0.2 CCOC=CBr MCULE-5241125671 [1,1,0,0,0,0|0,0,1]=3 1398 B5R0.2 N#CCOC=O MCULE-4453241991 [1,1,0,0,0,0|0,0,2]=4 1399 B5R0.2 O=CCCC=O MCULE-3362810468 [1,1,0,0,0,0|1,0,1]=4 1400 B5R0.2 O=CCCC=O MCULE-3813951568 [1,1,0,0,0,0|1,0,1]=4 1401 B5R0.2 O=CNNC=O MCULE-7634212643 [1,1,0,0,0,0|2,0,0]=4 1402 B5R0.2 O=COCCO MCULE-1922672843 [1,1,0,0,0,0|0,0,2]=4 1403 B7R0.2 C=C(C#N)OC(=O)C MCULE-8738842712 [0,2,0,0,0,0|0,0,0]=2 1404 B7R0.2 C=CC(=O)C=C(C)C MCULE-3761351531 [0,2,0,0,0,0|2,0,0]=4 1405 B7R0.2 C=CC(=O)NC(=O)N MCULE-8826369233 [0,2,0,0,0,0|2,0,0]=4 1406 B7R0.2 C=CC(=O)OC(C)C MCULE-8852781082 [0,2,0,0,0,0|1,0,1]=4 1407 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,2,0,0,0,0|2,0,0]=4 1408 B7R0.2 C=CC(C)OC(=O)C MCULE-9221300039 [0,2,0,0,0,0|0,0,0]=2 1409 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,2,0,0,0,0|2,0,0]=4 1410 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,2,0,0,0,0|2,0,0]=4 1411 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,2,0,0,0,0|2,0,0]=4 1412 B7R0.2 CC(=CC(=O)O)C=O MCULE-7652207149 [0,2,0,0,0,0|2,0,0]=4 1413 B7R0.2 CC(=O)NC(=O)CBr MCULE-3222708274 [0,2,0,0,0,0|1,0,1]=4 1414 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,2,0,0,0,0|0,0,2]=4 1415 B7R0.2 CC(C)OC(=O)CBr MCULE-1610339208 [0,2,0,0,0,0|0,0,2]=4 1416 B7R0.2 CC(C)OC(=O)CCl MCULE-3017211046 [0,2,0,0,0,0|0,0,2]=4 1417 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [0,2,0,0,0,0|0,0,2]=4 1418 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [0,2,0,0,0,0|0,0,2]=4 1419 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [0,2,0,0,0,0|0,0,2]=4 1420 B7R0.2 CC(C)OC(=O)CS MCULE-5298940210 [0,2,0,0,0,0|0,0,2]=4 1421 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,2,0,0,0,0|1,0,1]=4 1422 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,2,0,0,0,0|2,0,0]=4 1423 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [0,2,0,0,0,0|2,0,0]=4 1424 B7R0.2 CCC(=O)OC(=O)C MCULE-8264492254 [0,2,0,0,0,0|0,0,1]=3 1425 B7R0.2 CCC(=O)OC(C)C MCULE-6546381101 [0,2,0,0,0,0|0,0,2]=4 1426 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,2,0,0,0,0|0,0,2]=4 1427 B7R0.2 CNC(=CC(=O)C)C MCULE-1943688292 [0,2,0,0,0,0|1,0,1]=4 1428 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,2,0,0,0,0|2,0,0]=4 1429 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,2,0,0,0,0|2,0,0]=4 1430 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,2,0,0,0,0|1,0,1]=4 1431 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,2,0,0,0,0|2,0,0]=4 1432 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [0,2,0,0,0,0|2,0,0]=4 1433 B7R0.2 CNC(=O)NC(=O)C MCULE-9100713966 [0,2,0,0,0,0|1,0,1]=4 1434 B7R0.2 CNC(=O)NC(=O)N MCULE-8107942434 [0,2,0,0,0,0|2,0,0]=4 1435 B7R0.2 COC(=CC(=O)C)C MCULE-1939113485 [0,2,0,0,0,0|1,0,1]=4 1436 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,2,0,0,0,0|1,0,1]=4 1437 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,2,0,0,0,0|1,0,1]=4 1438 B7R0.2 COC(=O)C=C(C)C MCULE-9357284649 [0,2,0,0,0,0|1,0,1]=4 1439 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,2,0,0,0,0|1,0,1]=4 1440 B7R0.2 COC(=O)C=C(C)[O-] MCULE-2706789496 [0,2,0,0,0,0|1,0,1]=4 1441 B7R0.2 COC(=O)C=C(C)[O-] MCULE-4482386969 [0,2,0,0,0,0|1,0,1]=4 1442 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,2,0,0,0,0|2,0,0]=4 1443 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,2,0,0,0,0|2,0,0]=4 1444 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,2,0,0,0,0|1,0,1]=4 1445 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,2,0,0,0,0|2,0,0]=4 1446 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,2,0,0,0,0|2,0,0]=4 1447 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,2,0,0,0,0|2,0,0]=4 1448 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,2,0,0,0,0|2,0,0]=4 1449 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,2,0,0,0,0|2,0,0]=4 1450 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [0,2,0,0,0,0|0,0,2]=4 1451 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,2,0,0,0,0|2,0,0]=4 1452 B7R0.2 NC(=O)NC(=O)CBr MCULE-4561848957 [0,2,0,0,0,0|2,0,0]=4 1453 B7R0.2 NC(=O)NC(=O)CCl MCULE-6047100495 [0,2,0,0,0,0|2,0,0]=4 1454 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,2,0,0,0,0|2,0,0]=4 1455 B7R0.2 O=C(C=C(Cl)Cl)CCl MCULE-5580104687 [0,2,0,0,0,0|2,0,0]=4 1456 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,2,0,0,0,0|2,0,0]=4 1457 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,2,0,0,0,0|2,0,0]=4 1458 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,2,0,0,0,0|2,0,0]=4 1459 B7R0.3 C#CCOC(=O)CC MCULE-9368945481 [0,2,0,0,0,0|0,0,2]=4 1460 B7R0.3 C#CCOC(=O)OC MCULE-7912235498 [0,2,0,0,0,0|0,0,2]=4 1461 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [0,2,0,0,0,0|1,0,0]=3 1462 B7R0.3 C=CC=CC(=O)OC MCULE-1940821537 [0,2,0,0,0,0|1,0,0]=3 1463 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [0,2,0,0,0,0|1,0,0]=3 1464 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [0,2,0,0,0,0|1,0,0]=3 1465 B7R0.3 C=CCCC(=O)CCl MCULE-4669619111 [0,2,0,0,0,0|1,0,0]=3 1466 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [0,2,0,0,0,0|1,0,0]=3 1467 B7R0.3 C=CCCC(=O)NN MCULE-1170308182 [0,2,0,0,0,0|2,0,0]=4 1468 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [0,2,0,0,0,0|1,0,0]=3 1469 B7R0.3 C=CCCC(=S)OC MCULE-4709907145 [0,2,0,0,0,0|1,1,0]=4 1470 B7R0.3 C=CCNC(=O)CBr MCULE-5894560132 [0,2,0,0,0,0|1,0,0]=3 1471 B7R0.3 C=CCNC(=O)CCl MCULE-4830676670 [0,2,0,0,0,0|1,0,0]=3 1472 B7R0.3 C=CCNC(=O)CN MCULE-8221456161 [0,2,0,0,0,0|1,0,0]=3 1473 B7R0.3 C=CCNC(=O)CN MCULE-9764331326 [0,2,0,0,0,0|1,0,0]=3 1474 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [0,2,0,0,0,0|1,0,0]=3 1475 B7R0.3 C=CCNC(=O)CS MCULE-1040670812 [0,2,0,0,0,0|1,0,0]=3 1476 B7R0.3 C=CCNC(=S)NC MCULE-6740192122 [0,2,0,0,0,0|1,1,0]=4 1477 B7R0.3 C=CCOC(=O)C=C MCULE-8478082091 [0,2,0,0,0,0|0,0,1]=3 1478 B7R0.3 C=CCOC(=O)CBr MCULE-1915528510 [0,2,0,0,0,0|0,0,0]=2 1479 B7R0.3 C=CCOC(=O)CCl MCULE-4722834512 [0,2,0,0,0,0|0,0,0]=2 1480 B7R0.3 C=CCOC(=O)CI MCULE-1155914135 [0,2,0,0,0,0|0,0,0]=2 1481 B7R0.3 C=CCOC(=O)CN MCULE-2053601318 [0,2,0,0,0,0|0,0,0]=2 1482 B7R0.3 C=CCOC(=O)CN MCULE-8513191813 [0,2,0,0,0,0|0,0,0]=2 1483 B7R0.3 C=CCOC(=O)CS MCULE-3191036289 [0,2,0,0,0,0|0,0,0]=2 1484 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [0,2,0,0,0,0|0,0,0]=2 1485 B7R0.3 C=CCOC(C)CN MCULE-7634569955 [0,2,0,0,0,0|1,0,1]=4 1486 B7R0.3 C=CCO[C@@H](C)CN MCULE-4623222070 [0,2,0,0,0,0|1,0,1]=4 1487 B7R0.3 C=CCO[C@@H](C)CO MCULE-6699692288 [0,2,0,0,0,0|0,0,2]=4 1488 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [0,2,0,0,0,0|1,0,1]=4 1489 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [0,2,0,0,0,0|1,0,0]=3 1490 B7R0.3 CCC(=O)/C=C/C=O MCULE-5654548275 [0,2,0,0,0,0|1,0,0]=3 1491 B7R0.3 CCC(=O)C=CC=O MCULE-8246295239 [0,2,0,0,0,0|1,0,0]=3 1492 B7R0.3 CCC(=O)OCCCl MCULE-7825392065 [0,2,0,0,0,0|0,0,2]=4 1493 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [0,2,0,0,0,0|0,0,2]=4 1494 B7R0.3 CCC(=O)OCOC MCULE-8101176829 [0,2,0,0,0,0|0,0,2]=4 1495 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [0,2,0,0,0,0|1,0,1]=4 1496 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [0,2,0,0,0,0|0,0,2]=4 1497 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [0,2,0,0,0,0|0,0,2]=4 1498 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [0,2,0,0,0,0|0,0,2]=4 1499 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,2,0,0,0,0|0,0,2]=4 1500 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,2,0,0,0,0|0,0,2]=4 1501 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [0,2,0,0,0,0|0,0,2]=4 1502 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,2,0,0,0,0|0,0,2]=4 1503 B7R0.3 CCO/C=C(/C)\C=O MCULE-3167895853 [0,2,0,0,0,0|0,0,2]=4 1504 B7R0.3 CCO/C=C(\C)/C=O MCULE-5904529641 [0,2,0,0,0,0|0,0,2]=4 1505 B7R0.3 CCOC=C(C)C=O MCULE-8349392891 [0,2,0,0,0,0|0,0,2]=4 1506 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [0,2,0,0,0,0|0,0,2]=4 1507 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [0,2,0,0,0,0|0,0,2]=4 1508 B7R0.3 CCONC(=O)CN MCULE-8014418978 [0,2,0,0,0,0|0,0,2]=4 1509 B7R0.3 CCONC(=O)CN MCULE-9229677559 [0,2,0,0,0,0|0,0,2]=4 1510 B7R0.3 CNC(=O)C=CCN MCULE-3646722223 [0,2,0,0,0,0|1,0,1]=4 1511 B7R0.3 CNC(=O)C=CCN MCULE-6988679780 [0,2,0,0,0,0|1,0,1]=4 1512 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [0,2,0,0,0,0|0,0,2]=4 1513 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [0,2,0,0,0,0|0,0,2]=4 1514 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [0,2,0,0,0,0|1,0,1]=4 1515 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [0,2,0,0,0,0|1,0,1]=4 1516 B7R0.3 CO/C=C/C(=O)OC MCULE-8858181328 [0,2,0,0,0,0|1,0,1]=4 1517 B7R0.3 COC(=O)/C=C/CBr MCULE-5511432414 [0,2,0,0,0,0|1,0,1]=4 1518 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [0,2,0,0,0,0|1,0,1]=4 1519 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [0,2,0,0,0,0|1,0,1]=4 1520 B7R0.3 COC(=O)/C=C\CBr MCULE-5925439397 [0,2,0,0,0,0|1,0,1]=4 1521 B7R0.3 COC(=O)C=CC=O MCULE-3663456611 [0,2,0,0,0,0|1,0,0]=3 1522 B7R0.3 COC(=O)C=CCBr MCULE-1558782396 [0,2,0,0,0,0|1,0,1]=4 1523 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [0,2,0,0,0,0|1,0,1]=4 1524 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [0,2,0,0,0,0|1,0,1]=4 1525 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [0,2,0,0,0,0|1,0,1]=4 1526 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [0,2,0,0,0,0|1,0,1]=4 1527 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [0,2,0,0,0,0|2,0,0]=4 1528 B7R0.3 COC=CC(=O)OC MCULE-3167643214 [0,2,0,0,0,0|1,0,1]=4 1529 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [0,2,0,0,0,0|0,0,2]=4 1530 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [0,2,0,0,0,0|0,0,2]=4 1531 B7R0.3 O=C(CCl)/N=C/NO MCULE-8588086105 [0,2,0,0,0,0|2,0,0]=4 1532 B7R0.3 O=C(CCl)OCCCl MCULE-7706105725 [0,2,0,0,0,0|0,0,2]=4 1533 B7R0.5 C=C(C)C(=O)OCC MCULE-9496497565 [0,2,0,0,0,0|0,0,2]=4 1534 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,2,0,0,0,0|2,0,0]=4 1535 B7R0.5 C=CC=C(C)C(=O)O MCULE-9568360048 [0,2,0,0,0,0|1,0,0]=3 1536 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,2,0,0,0,0|1,0,0]=3 1537 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,2,0,0,0,0|1,0,1]=4 1538 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,2,0,0,0,0|2,0,0]=4 1539 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,2,0,0,0,0|2,0,0]=4 1540 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,2,0,0,0,0|2,0,0]=4 1541 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,2,0,0,0,0|2,0,0]=4 1542 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,2,0,0,0,0|2,0,0]=4 1543 B7R0.5 C=CCN(C)C(=O)N MCULE-1459320786 [0,2,0,0,0,0|2,0,0]=4 1544 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,2,0,0,0,0|2,0,0]=4 1545 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,2,0,0,0,0|2,0,0]=4 1546 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,2,0,0,0,0|2,0,0]=4 1547 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,2,0,0,0,0|2,0,0]=4 1548 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,2,0,0,0,0|2,0,0]=4 1549 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,2,0,0,0,0|2,0,0]=4 1550 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,2,0,0,0,0|2,0,0]=4 1551 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,2,0,0,0,0|2,0,0]=4 1552 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,2,0,0,0,0|2,0,0]=4 1553 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,2,0,0,0,0|2,0,0]=4 1554 B7R0.5 C=COC(=O)C(=C)C MCULE-3204745409 [0,2,0,0,0,0|0,0,0]=2 1555 B7R0.5 CC(C)C(=O)OCBr MCULE-3276711258 [0,2,0,0,0,0|1,0,1]=4 1556 B7R0.5 CC(C)C(=O)OCCl MCULE-2226037128 [0,2,0,0,0,0|1,0,1]=4 1557 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,2,0,0,0,0|2,0,0]=4 1558 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,2,0,0,0,0|2,0,0]=4 1559 B7R0.5 CCOC(=O)C(=O)C MCULE-5817261721 [0,2,0,0,0,0|0,0,2]=4 1560 B7R0.5 CCOC(=O)C(Br)Br MCULE-8701615311 [0,2,0,0,0,0|0,0,2]=4 1561 B7R0.5 CCOC(=O)C(C)Br MCULE-3184697988 [0,2,0,0,0,0|0,0,2]=4 1562 B7R0.5 CCOC(=O)C(C)C MCULE-7190269066 [0,2,0,0,0,0|0,0,2]=4 1563 B7R0.5 CCOC(=O)C(C)Cl MCULE-8192833024 [0,2,0,0,0,0|0,0,2]=4 1564 B7R0.5 CCOC(=O)C(C)F MCULE-5743308430 [0,2,0,0,0,0|0,0,2]=4 1565 B7R0.5 CCOC(=O)C(C)I MCULE-5895787216 [0,2,0,0,0,0|0,0,2]=4 1566 B7R0.5 CCOC(=O)C(C)N MCULE-1694144423 [0,2,0,0,0,0|0,0,2]=4 1567 B7R0.5 CCOC(=O)C(C)N MCULE-4073874506 [0,2,0,0,0,0|0,0,2]=4 1568 B7R0.5 CCOC(=O)C(C)N MCULE-4082731166 [0,2,0,0,0,0|0,0,2]=4 1569 B7R0.5 CCOC(=O)C(C)N MCULE-5175870607 [0,2,0,0,0,0|0,0,2]=4 1570 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [0,2,0,0,0,0|0,0,2]=4 1571 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [0,2,0,0,0,0|0,0,2]=4 1572 B7R0.5 CCOC(=O)C(C)S MCULE-7890942953 [0,2,0,0,0,0|0,0,2]=4 1573 B7R0.5 CCOC(=O)C(Cl)Cl MCULE-3838429635 [0,2,0,0,0,0|0,0,2]=4 1574 B7R0.5 CCOC(=O)C(F)Br MCULE-5661791694 [0,2,0,0,0,0|0,0,2]=4 1575 B7R0.5 CCOC(=O)C(F)Cl MCULE-4260692293 [0,2,0,0,0,0|0,0,2]=4 1576 B7R0.5 CCOC(=O)C(F)F MCULE-6388513707 [0,2,0,0,0,0|0,0,2]=4 1577 B7R0.5 CCOC(=O)C(F)I MCULE-4681224874 [0,2,0,0,0,0|0,0,2]=4 1578 B7R0.5 CCOC(=O)N(C)C MCULE-8344568471 [0,2,0,0,0,0|0,0,2]=4 1579 B7R0.5 CCOC(=O)N(C)N MCULE-3043289486 [0,2,0,0,0,0|0,0,2]=4 1580 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1032359164 [0,2,0,0,0,0|0,0,2]=4 1581 B7R0.5 CCOC(=O)[C@@H](C)F MCULE-1087923626 [0,2,0,0,0,0|0,0,2]=4 1582 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-1553164105 [0,2,0,0,0,0|0,0,2]=4 1583 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-2294196196 [0,2,0,0,0,0|0,0,2]=4 1584 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-4613491627 [0,2,0,0,0,0|0,0,2]=4 1585 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-8190900780 [0,2,0,0,0,0|0,0,2]=4 1586 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [0,2,0,0,0,0|0,0,2]=4 1587 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [0,2,0,0,0,0|0,0,2]=4 1588 B7R0.5 CCOC(=O)[C@H](C)F MCULE-3258014155 [0,2,0,0,0,0|0,0,2]=4 1589 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4397919899 [0,2,0,0,0,0|0,0,2]=4 1590 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4404274511 [0,2,0,0,0,0|0,0,2]=4 1591 B7R0.5 CCOC(=O)[C@H](C)N MCULE-7626045082 [0,2,0,0,0,0|0,0,2]=4 1592 B7R0.5 CCOC(=O)[C@H](C)N MCULE-8333235087 [0,2,0,0,0,0|0,0,2]=4 1593 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [0,2,0,0,0,0|0,0,2]=4 1594 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [0,2,0,0,0,0|0,0,2]=4 1595 B7R0.5 CN(C)C(=O)OCCl MCULE-5918090090 [0,2,0,0,0,0|1,0,1]=4 1596 B7R0.7 C#CCC(=O)OCC MCULE-2012473321 [0,2,0,0,0,0|0,0,2]=4 1597 B7R0.7 C/C=C/C(=O)OCC MCULE-8433823264 [0,2,0,0,0,0|0,0,2]=4 1598 B7R0.7 C=C=CC(=O)OCC MCULE-9108726418 [0,2,0,0,0,0|1,0,1]=4 1599 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,2,0,0,0,0|1,0,0]=3 1600 B7R0.7 C=COC(=O)/C=C/C MCULE-3646996165 [0,2,0,0,0,0|0,0,0]=2 1601 B7R0.7 C=COC(=O)C=CC MCULE-7917602280 [0,2,0,0,0,0|0,0,0]=2 1602 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,2,0,0,0,0|0,0,0]=2 1603 B7R0.7 CC#CC(=O)OCC MCULE-3358315498 [0,2,0,0,0,0|0,0,2]=4 1604 B7R0.7 CC=CC(=O)OCC MCULE-1904771513 [0,2,0,0,0,0|0,0,2]=4 1605 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [0,2,0,0,0,0|0,0,2]=4 1606 B7R0.7 CCCC(=O)OCCl MCULE-5186069317 [0,2,0,0,0,0|1,0,1]=4 1607 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,2,0,0,0,0|0,0,2]=4 1608 B7R0.7 CCOC(=O)/C=C/I MCULE-4105665503 [0,2,0,0,0,0|2,0,0]=4 1609 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,2,0,0,0,0|2,0,0]=4 1610 B7R0.7 CCOC(=O)/C=C/[O-] MCULE-5625833261 [0,2,0,0,0,0|2,0,0]=4 1611 B7R0.7 CCOC(=O)/C=C\Br MCULE-7525620721 [0,2,0,0,0,0|2,0,0]=4 1612 B7R0.7 CCOC(=O)/C=C\I MCULE-4741067503 [0,2,0,0,0,0|2,0,0]=4 1613 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,2,0,0,0,0|2,0,0]=4 1614 B7R0.7 CCOC(=O)C=CBr MCULE-3778834856 [0,2,0,0,0,0|2,0,0]=4 1615 B7R0.7 CCOC(=O)C=CI MCULE-9930784067 [0,2,0,0,0,0|2,0,0]=4 1616 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,2,0,0,0,0|2,0,0]=4 1617 B7R0.7 CCOC(=O)C=C[O-] MCULE-8425740727 [0,2,0,0,0,0|2,0,0]=4 1618 B7R0.7 CCOC(=O)CC#N MCULE-3161671261 [0,2,0,0,0,0|0,0,2]=4 1619 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,2,0,0,0,0|0,0,2]=4 1620 B7R0.7 CCOC(=O)CCBr MCULE-1898467026 [0,2,0,0,0,0|0,0,2]=4 1621 B7R0.7 CCOC(=O)CCCl MCULE-2623656770 [0,2,0,0,0,0|0,0,2]=4 1622 B7R0.7 CCOC(=O)CCI MCULE-9651397551 [0,2,0,0,0,0|0,0,2]=4 1623 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [0,2,0,0,0,0|0,0,2]=4 1624 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [0,2,0,0,0,0|0,0,2]=4 1625 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [0,2,0,0,0,0|0,0,2]=4 1626 B7R0.7 CCOC(=O)CCS MCULE-3955367746 [0,2,0,0,0,0|0,0,2]=4 1627 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [0,2,0,0,0,0|0,0,2]=4 1628 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [0,2,0,0,0,0|0,0,2]=4 1629 B7R0.7 CCOC(=O)CNN MCULE-2832319636 [0,2,0,0,0,0|0,0,2]=4 1630 B7R0.7 CCOC(=O)CNN MCULE-3479623348 [0,2,0,0,0,0|0,0,2]=4 1631 B7R0.7 CCOC(=O)CNN MCULE-5066106273 [0,2,0,0,0,0|0,0,2]=4 1632 B7R0.7 CCOC(=O)COC MCULE-7739678079 [0,2,0,0,0,0|0,0,2]=4 1633 B7R0.7 CCOC(=O)CON MCULE-4924818206 [0,2,0,0,0,0|0,0,2]=4 1634 B7R0.7 CCOC(=O)CSC MCULE-5199209389 [0,2,0,0,0,0|0,0,2]=4 1635 B7R0.7 CCOC(=O)NCCl MCULE-9646468987 [0,2,0,0,0,0|0,0,2]=4 1636 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [0,2,0,0,0,0|0,0,2]=4 1637 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [0,2,0,0,0,0|0,0,2]=4 1638 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,2,0,0,0,0|0,0,2]=4 1639 B7R0.7 CCOC(=O)OCC MCULE-1394890550 [0,2,0,0,0,0|0,0,2]=4 1640 B7R0.7 CCOC(=O)OCCl MCULE-9723292956 [0,2,0,0,0,0|0,0,2]=4 1641 B7R0.7 CCOC(=O)OCI MCULE-7994621582 [0,2,0,0,0,0|0,0,2]=4 1642 B7R0.7 CCOC(=O)[CH-]C=O MCULE-1944484299 [0,2,0,0,0,0|2,0,0]=4 1643 B7R0.7 CCOC(=O)[CH-]C=O MCULE-5022028224 [0,2,0,0,0,0|2,0,0]=4 1644 B7R0.10 C/C=C(/C)\C(=O)OC MCULE-6490619453 [0,2,0,0,0,0|1,0,1]=4 1645 B7R0.10 C/C=C(\C)/C(=O)OC MCULE-2521624465 [0,2,0,0,0,0|1,0,1]=4 1646 B7R0.10 C=CC(Cl)C(=O)OC MCULE-8371197919 [0,2,0,0,0,0|1,0,0]=3 1647 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [0,2,0,0,0,0|1,0,0]=3 1648 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [0,2,0,0,0,0|1,0,0]=3 1649 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [0,2,0,0,0,0|1,0,0]=3 1650 B7R0.10 CC=C(Br)C(=O)OC MCULE-8210439839 [0,2,0,0,0,0|1,0,1]=4 1651 B7R0.10 CC=C(C)C(=O)OC MCULE-7431996149 [0,2,0,0,0,0|1,0,1]=4 1652 B7R0.10 COC(=O)/C(=C/Br)/C MCULE-9213242172 [0,2,0,0,0,0|2,0,0]=4 1653 B7R0.10 COC(=O)/C(=C/Cl)/Cl MCULE-7181141754 [0,2,0,0,0,0|2,0,0]=4 1654 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-5795286951 [0,2,0,0,0,0|2,0,0]=4 1655 B7R0.10 COC(=O)/C(=C/[O-])/Cl MCULE-6102470934 [0,2,0,0,0,0|2,0,0]=4 1656 B7R0.10 COC(=O)C(=CBr)C MCULE-2452279572 [0,2,0,0,0,0|2,0,0]=4 1657 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,2,0,0,0,0|2,0,0]=4 1658 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,2,0,0,0,0|2,0,0]=4 1659 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,2,0,0,0,0|2,0,0]=4 1660 B7R0.11 C=CCC(C)(C)C=O MCULE-7775740469 [0,2,0,0,0,0|1,0,1]=4 1661 B7R0.9 C=C(C)O[Si](C)(C)C MCULE-8440514280 [0,2,0,0,0,0|1,1,0]=4 1662 B7R0.9 CC(=O)OC(C)(C)C MCULE-4713236745 [0,2,0,0,0,0|0,0,2]=4 1663 B7R0.9 CC(=O)OP(=O)(O)O MCULE-3093243474 [0,2,0,0,0,0|2,0,0]=4 1664 B7R0.9 CC(=O)OP(=O)([O-])[O-] MCULE-4269776738 [0,2,0,0,0,0|2,0,0]=4 1665 B7R0.9 CC(=O)OS(=O)(=O)C MCULE-1489852585 [0,2,0,0,0,0|1,0,1]=4 1666 B7R0.9 CC(=O)O[Si](C)(C)C MCULE-9062827817 [0,2,0,0,0,0|0,1,1]=4 1667 B7R0.16 C=C(C)C(C)C(=O)C MCULE-2480790812 [0,2,0,0,0,0|1,0,0]=3 1668 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,2,0,0,0,0|2,0,0]=4 1669 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,2,0,0,0,0|2,0,0]=4 1670 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,2,0,0,0,0|2,0,0]=4 1671 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,2,0,0,0,0|2,0,0]=4 1672 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,2,0,0,0,0|2,0,0]=4 1673 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,2,0,0,0,0|2,0,0]=4 1674 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,2,0,0,0,0|2,0,0]=4 1675 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,2,0,0,0,0|2,0,0]=4 1676 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,2,0,0,0,0|2,0,0]=4 1677 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-1358390281 [0,2,0,0,0,0|1,0,1]=4 1678 B7R0.16 CC(=O)C(=C(C)[O-])C MCULE-6098819264 [0,2,0,0,0,0|1,0,1]=4 1679 B7R0.16 CC(=O)C(Br)C(=O)C MCULE-2980550700 [0,2,0,0,0,0|1,0,1]=4 1680 B7R0.16 CC(=O)C(C)C(=O)C MCULE-9607259412 [0,2,0,0,0,0|1,0,1]=4 1681 B7R0.16 CC(=O)C(Cl)C(=O)C MCULE-4716617423 [0,2,0,0,0,0|1,0,1]=4 1682 B7R0.16 CC(=O)C(F)C(=O)C MCULE-4665621902 [0,2,0,0,0,0|1,0,1]=4 1683 B7R0.16 CC(=O)C(N)C(=O)C MCULE-6440496769 [0,2,0,0,0,0|1,0,1]=4 1684 B7R0.16 CC(=O)C(N)C(=O)C MCULE-8525737264 [0,2,0,0,0,0|1,0,1]=4 1685 B7R0.16 CC(=O)N(C)C(=O)C MCULE-6245493539 [0,2,0,0,0,0|1,0,1]=4 1686 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [0,2,0,0,0,0|2,0,0]=4 1687 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,2,0,0,0,0|2,0,0]=4 1688 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,2,0,0,0,0|2,0,0]=4 1689 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,2,0,0,0,0|2,0,0]=4 1690 B7R0.4 C/C=C/C=C/C(=O)O MCULE-5933850278 [0,2,0,0,0,0|2,0,0]=4 1691 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-2438491537 [0,2,0,0,0,0|2,0,0]=4 1692 B7R0.4 C/C=C/C=C/C(=O)[O-] MCULE-8550303604 [0,2,0,0,0,0|2,0,0]=4 1693 B7R0.4 C/C=C/C=C\C(=O)O MCULE-3744855708 [0,2,0,0,0,0|2,0,0]=4 1694 B7R0.4 C/C=C/COC(=O)C MCULE-4948306153 [0,2,0,0,0,0|0,0,0]=2 1695 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [0,2,0,0,0,0|2,0,0]=4 1696 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,2,0,0,0,0|2,0,0]=4 1697 B7R0.4 C=CC=COC(=O)C MCULE-8556263077 [0,2,0,0,0,0|0,0,0]=2 1698 B7R0.4 C=CC=N/[NH+]=C(/C)\N MCULE-3546579711 [0,2,0,0,0,0|2,0,0]=4 1699 B7R0.4 C=CC=N/[NH+]=C(/C)\N MCULE-7747986139 [0,2,0,0,0,0|2,0,0]=4 1700 B7R0.4 C=CC=NNC(=O)N MCULE-6611985512 [0,2,0,0,0,0|2,0,0]=4 1701 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,2,0,0,0,0|2,0,0]=4 1702 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,2,0,0,0,0|2,0,0]=4 1703 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,2,0,0,0,0|0,0,0]=2 1704 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,2,0,0,0,0|1,0,0]=3 1705 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,2,0,0,0,0|2,0,0]=4 1706 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,2,0,0,0,0|2,0,0]=4 1707 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,2,0,0,0,0|1,0,0]=3 1708 B7R0.4 C=CCONC(=O)C MCULE-1401456265 [0,2,0,0,0,0|0,0,0]=2 1709 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,2,0,0,0,0|1,1,0]=4 1710 B7R0.4 C=COCCN(C)C MCULE-5557000118 [0,2,0,0,0,0|2,0,0]=4 1711 B7R0.4 CC(=CCOC=O)C MCULE-1475053986 [0,2,0,0,0,0|2,0,0]=4 1712 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,2,0,0,0,0|1,0,1]=4 1713 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,2,0,0,0,0|0,0,2]=4 1714 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,2,0,0,0,0|0,0,2]=4 1715 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,2,0,0,0,0|0,0,2]=4 1716 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,2,0,0,0,0|0,0,2]=4 1717 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,2,0,0,0,0|0,0,2]=4 1718 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,2,0,0,0,0|0,1,1]=4 1719 B7R0.4 CC=CC=CC(=O)C MCULE-1781846029 [0,2,0,0,0,0|1,0,0]=3 1720 B7R0.4 CC=CC=CC(=O)Cl MCULE-7711381941 [0,2,0,0,0,0|2,0,0]=4 1721 B7R0.4 CC=CC=CC(=O)O MCULE-9397415946 [0,2,0,0,0,0|2,0,0]=4 1722 B7R0.4 CC=CC=CC(=O)[O-] MCULE-4983552708 [0,2,0,0,0,0|2,0,0]=4 1723 B7R0.4 CC=CC=CC(=O)[O-] MCULE-7794252065 [0,2,0,0,0,0|2,0,0]=4 1724 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,2,0,0,0,0|2,0,0]=4 1725 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,2,0,0,0,0|1,0,1]=4 1726 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,2,0,0,0,0|2,0,0]=4 1727 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,2,0,0,0,0|1,0,1]=4 1728 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,2,0,0,0,0|0,0,2]=4 1729 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,2,0,0,0,0|0,0,2]=4 1730 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,2,0,0,0,0|0,0,2]=4 1731 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,2,0,0,0,0|0,0,2]=4 1732 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,2,0,0,0,0|0,0,2]=4 1733 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [0,2,0,0,0,0|0,0,2]=4 1734 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,2,0,0,0,0|2,0,0]=4 1735 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,2,0,0,0,0|2,0,0]=4 1736 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,2,0,0,0,0|1,0,0]=3 1737 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [0,2,0,0,0,0|2,0,0]=4 1738 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,2,0,0,0,0|1,0,0]=3 1739 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,2,0,0,0,0|2,0,0]=4 1740 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,2,0,0,0,0|2,0,0]=4 1741 B7R0.6 C=C(C)COC(=O)C MCULE-7739945243 [0,2,0,0,0,0|0,0,0]=2 1742 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,2,0,0,0,0|2,0,0]=4 1743 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,2,0,0,0,0|2,0,0]=4 1744 B7R0.6 C=C(Cl)CSC(=O)C MCULE-4264447992 [0,2,0,0,0,0|0,1,0]=3 1745 B7R0.6 CC(=CC=C(C)C)C MCULE-9852692083 [0,2,0,0,0,0|2,0,0]=4 1746 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,2,0,0,0,0|2,0,0]=4 1747 B7R0.6 CC(=CCC(=O)[O-])C MCULE-6283758684 [0,2,0,0,0,0|2,0,0]=4 1748 B7R0.6 CC(=O)/C=C/C(=O)O MCULE-8768861026 [0,2,0,0,0,0|1,0,0]=3 1749 B7R0.6 CC(=O)/C=C/N(C)C MCULE-7703636114 [0,2,0,0,0,0|1,0,1]=4 1750 B7R0.6 CC(=O)C=CC(=O)C MCULE-9472466140 [0,2,0,0,0,0|1,0,0]=3 1751 B7R0.6 CC(=O)C=CC(=O)Cl MCULE-8865772819 [0,2,0,0,0,0|1,0,0]=3 1752 B7R0.6 CC(=O)C=CC(=O)O MCULE-6867353277 [0,2,0,0,0,0|1,0,0]=3 1753 B7R0.6 CC(=O)C=CC(C)C MCULE-7908862390 [0,2,0,0,0,0|1,0,1]=4 1754 B7R0.6 CC(=O)C=CN(C)C MCULE-2800987098 [0,2,0,0,0,0|1,0,1]=4 1755 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,2,0,0,0,0|1,0,1]=4 1756 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,2,0,0,0,0|1,0,1]=4 1757 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,2,0,0,0,0|1,0,1]=4 1758 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,2,0,0,0,0|1,0,1]=4 1759 B7R0.6 CC(=O)CNC(=O)C MCULE-7941086302 [0,2,0,0,0,0|1,0,1]=4 1760 B7R0.6 CC(=O)CNC(=O)Cl MCULE-2043888982 [0,2,0,0,0,0|2,0,0]=4 1761 B7R0.6 CC(=O)COC(=O)C MCULE-2994552521 [0,2,0,0,0,0|0,0,1]=3 1762 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,2,0,0,0,0|0,0,2]=4 1763 B7R0.6 CC(=O)NC=C(Cl)Cl MCULE-8744236684 [0,2,0,0,0,0|1,0,0]=3 1764 B7R0.6 CC(=O)NCC(=O)Cl MCULE-3900899057 [0,2,0,0,0,0|1,0,1]=4 1765 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,2,0,0,0,0|1,0,1]=4 1766 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,2,0,0,0,0|1,0,1]=4 1767 B7R0.6 CC(=O)NN=C(C)C MCULE-9759901228 [0,2,0,0,0,0|1,0,1]=4 1768 B7R0.6 CC(=O)NNC(=O)C MCULE-3292268906 [0,2,0,0,0,0|1,0,1]=4 1769 B7R0.6 CC(=O)NNC(=S)N MCULE-4923078693 [0,2,0,0,0,0|2,0,0]=4 1770 B7R0.6 CC(=O)OCC(=O)Cl MCULE-3086938222 [0,2,0,0,0,0|0,0,1]=3 1771 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,2,0,0,0,0|0,0,1]=3 1772 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,2,0,0,0,0|0,0,1]=3 1773 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,2,0,0,0,0|0,0,2]=4 1774 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,2,0,0,0,0|0,0,2]=4 1775 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [0,2,0,0,0,0|0,0,2]=4 1776 B7R0.6 CC(=O)ON=C(C)C MCULE-4373487613 [0,2,0,0,0,0|0,0,1]=3 1777 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,2,0,0,0,0|0,1,1]=4 1778 B7R0.6 NC(=O)/C=C/C(=O)N MCULE-4395066945 [0,2,0,0,0,0|2,0,0]=4 1779 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,2,0,0,0,0|2,0,0]=4 1780 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,2,0,0,0,0|2,0,0]=4 1781 B7R0.6 NC(=O)C=CC(=O)N MCULE-6392282813 [0,2,0,0,0,0|2,0,0]=4 1782 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,2,0,0,0,0|2,0,0]=4 1783 B7R0.6 O=C(Cl)/C=C/C(=O)Cl MCULE-6214609191 [0,2,0,0,0,0|2,0,0]=4 1784 B7R0.6 O=C(Cl)C=CC(=O)Cl MCULE-7022763562 [0,2,0,0,0,0|2,0,0]=4 1785 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-3549142744 [0,2,0,0,0,0|2,0,0]=4 1786 B7R0.6 O=C(O)/C=C/C(=O)O MCULE-5263906793 [0,2,0,0,0,0|2,0,0]=4 1787 B7R0.6 O=C(O)/C=C\C(=O)O MCULE-1113222985 [0,2,0,0,0,0|2,0,0]=4 1788 B7R0.6 O=C(O)C=CC(=O)O MCULE-5329407890 [0,2,0,0,0,0|2,0,0]=4 1789 B7R0.6 O=C(O)C=CC(=O)O MCULE-7492596773 [0,2,0,0,0,0|2,0,0]=4 1790 B7R0.6 O=C(O)C=CC(=O)O MCULE-8076793268 [0,2,0,0,0,0|2,0,0]=4 1791 B7R0.6 O=C(O)C=CC(=O)O MCULE-9488315563 [0,2,0,0,0,0|2,0,0]=4 1792 B7R0.6 O=C(O)C=CC(=O)O MCULE-9920754312 [0,2,0,0,0,0|2,0,0]=4 1793 B7R0.6 O=C([O-])/C=C/C(=O)[O-] MCULE-2177227992 [0,2,0,0,0,0|2,0,0]=4 1794 B7R0.6 O=C([O-])C=CC(=O)[O-] MCULE-1618249570 [0,2,0,0,0,0|2,0,0]=4 1795 B7R0.8 C=CCNS(=O)(=O)C MCULE-9632078430 [0,2,0,0,0,0|2,0,0]=4 1796 B7R0.8 C=CCOS(=O)(=O)C MCULE-5703564114 [0,2,0,0,0,0|1,0,0]=3 1797 B7R0.8 C=CCO[Si](C)(C)C MCULE-7135072229 [0,2,0,0,0,0|1,1,0]=4 1798 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,1,0,0|1,0,1]=4 1799 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,1,0,0|0,0,2]=4 1800 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,1,0,0|1,0,1]=4 1801 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|0,0,1]=3 1802 B5R1.2 O=C1CNC1 MCULE-5171659870 [1,0,0,1,0,0|1,0,1]=4 1803 B5R1.2 O=C1CNC1 MCULE-8293494956 [1,0,0,1,0,0|1,0,1]=4 1804 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,1,0,0|1,0,1]=4 1805 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,1,0,0|1,0,1]=4 1806 B5R1.3 C=CC1CC1 MCULE-4323158851 [1,0,0,1,0,0|1,0,1]=4 1807 B5R1.3 C=CC1CO1 MCULE-1428696186 [1,0,0,1,0,0|0,0,2]=4 1808 B5R1.3 [C@@H]1(CO1)C=C MCULE-9776744095 [1,0,0,1,0,0|0,0,2]=4 1809 B5R1.3 [C@H]1(CO1)C=C MCULE-7934901088 [1,0,0,1,0,0|0,0,2]=4 1810 B5R1.1 C1=CCC=C1 MCULE-1776679581 [1,0,0,1,0,0|1,0,0]=3 1811 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,1,0,0|1,0,1]=4 1812 B5R1.1 C1=CCNC1 MCULE-4645888757 [1,0,0,1,0,0|2,0,0]=4 1813 B5R1.1 C1=CCNC1 MCULE-7386427096 [1,0,0,1,0,0|2,0,0]=4 1814 B5R1.1 C1=CCOC1 MCULE-1252378718 [1,0,0,1,0,0|2,0,0]=4 1815 B5R1.1 C1=CCSC1 MCULE-7848219599 [1,0,0,1,0,0|2,0,0]=4 1816 B5R1.1 C1=CNC=C1 MCULE-7417495535 [1,0,0,1,0,0|1,0,1]=4 1817 B5R1.1 C1=CNC=N1 MCULE-1256901064 [1,0,0,1,0,0|2,0,0]=4 1818 B5R1.1 C1=CNC=N1 MCULE-1410806694 [1,0,0,1,0,0|2,0,0]=4 1819 B5R1.1 C1=CNC=N1 MCULE-5649243123 [1,0,0,1,0,0|2,0,0]=4 1820 B5R1.1 C1=CNC=N1 MCULE-6335507586 [1,0,0,1,0,0|2,0,0]=4 1821 B5R1.1 C1=COC=C1 MCULE-6076190179 [1,0,0,1,0,0|0,0,1]=3 1822 B5R1.1 C1=COC=N1 MCULE-4239266587 [1,0,0,1,0,0|1,0,0]=3 1823 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,1,0,0|0,0,1]=3 1824 B5R1.1 C1=CON=C1 MCULE-4177650025 [1,0,0,1,0,0|1,0,1]=4 1825 B5R1.1 C1=CSC=C1 MCULE-5759025979 [1,0,0,1,0,0|0,1,1]=4 1826 B5R1.1 C1=CSC=N1 MCULE-2839580990 [1,0,0,1,0,0|1,1,0]=4 1827 B5R1.1 C1=C[N-]C=N1 MCULE-2590868668 [1,0,0,1,0,0|2,0,0]=4 1828 B5R1.1 C1=C[N-]C=N1 MCULE-7665637014 [1,0,0,1,0,0|2,0,0]=4 1829 B5R1.1 C1=C[Se]C=C1 MCULE-2438977476 [1,0,0,1,0,0|0,1,1]=4 1830 B5R1.1 C1=NN=CO1 MCULE-2512252204 [1,0,0,1,0,0|2,0,0]=4 1831 B7R1.1 BrCC1=CC=CO1 MCULE-5096860465 [0,1,0,1,0,0|1,0,0]=3 1832 B7R1.1 BrCC1=CC=CS1 MCULE-6293280067 [0,1,0,1,0,0|1,1,0]=4 1833 B7R1.1 BrCC1=CC=NO1 MCULE-4124334018 [0,1,0,1,0,0|2,0,0]=4 1834 B7R1.1 BrCC1=CN=CO1 MCULE-2008795038 [0,1,0,1,0,0|2,0,0]=4 1835 B7R1.1 BrCC1=NC=CN1 MCULE-3670310588 [0,1,0,1,0,0|2,0,0]=4 1836 B7R1.1 BrCC1=NC=CN1 MCULE-6876000932 [0,1,0,1,0,0|2,0,0]=4 1837 B7R1.1 BrCC1=NC=CO1 MCULE-7293850901 [0,1,0,1,0,0|1,0,0]=3 1838 B7R1.1 BrCC1=NC=CO1 MCULE-9076338518 [0,1,0,1,0,0|1,0,0]=3 1839 B7R1.1 BrCC1=NC=CS1 MCULE-2352863122 [0,1,0,1,0,0|1,1,0]=4 1840 B7R1.1 BrCC1=NC=CS1 MCULE-5186135822 [0,1,0,1,0,0|1,1,0]=4 1841 B7R1.1 BrCC1=NC=NO1 MCULE-3123325033 [0,1,0,1,0,0|2,0,0]=4 1842 B7R1.1 C#CC1=CC=CO1 MCULE-9828059853 [0,1,0,1,0,0|1,0,1]=4 1843 B7R1.1 C=CC1=CC=CO1 MCULE-1348308043 [0,1,0,1,0,0|1,0,1]=4 1844 B7R1.1 CCC1=CC=CN1 MCULE-9168935708 [0,1,0,1,0,0|2,0,0]=4 1845 B7R1.1 CCC1=CC=CO1 MCULE-6819919667 [0,1,0,1,0,0|1,0,0]=3 1846 B7R1.1 CCC1=CC=CS1 MCULE-1811294638 [0,1,0,1,0,0|1,1,0]=4 1847 B7R1.1 CCC1=CC=NO1 MCULE-9851288273 [0,1,0,1,0,0|2,0,0]=4 1848 B7R1.1 CCC1=NC=CN1 MCULE-8797415647 [0,1,0,1,0,0|2,0,0]=4 1849 B7R1.1 CCC1=NC=CS1 MCULE-6172218863 [0,1,0,1,0,0|1,1,0]=4 1850 B7R1.1 CCC1=NN=CO1 MCULE-5874936167 [0,1,0,1,0,0|2,0,0]=4 1851 B7R1.1 CNC1=CC=CS1 MCULE-4218853022 [0,1,0,1,0,0|1,1,0]=4 1852 B7R1.1 CNC1=NC=CN1 MCULE-2079992096 [0,1,0,1,0,0|2,0,0]=4 1853 B7R1.1 CNC1=NC=CN1 MCULE-4803913104 [0,1,0,1,0,0|2,0,0]=4 1854 B7R1.1 CNC1=NC=CO1 MCULE-4226358416 [0,1,0,1,0,0|1,0,0]=3 1855 B7R1.1 CNC1=NC=CS1 MCULE-8467756988 [0,1,0,1,0,0|1,1,0]=4 1856 B7R1.1 CNC1=NN=CO1 MCULE-2942390353 [0,1,0,1,0,0|2,0,0]=4 1857 B7R1.1 COC1=CC=CO1 MCULE-4991744131 [0,1,0,1,0,0|1,0,0]=3 1858 B7R1.1 COC1=CC=CS1 MCULE-9593910029 [0,1,0,1,0,0|1,1,0]=4 1859 B7R1.1 COC1=NC=CS1 MCULE-3994738925 [0,1,0,1,0,0|1,1,0]=4 1860 B7R1.1 CSC1=CC=CO1 MCULE-6438587509 [0,1,0,1,0,0|1,0,0]=3 1861 B7R1.1 CSC1=CC=CS1 MCULE-7026431414 [0,1,0,1,0,0|1,1,0]=4 1862 B7R1.1 CSC1=NC=CN1 MCULE-8421202776 [0,1,0,1,0,0|2,0,0]=4 1863 B7R1.1 CSC1=NC=CO1 MCULE-4140293694 [0,1,0,1,0,0|1,0,0]=3 1864 B7R1.1 CSC1=NC=CS1 MCULE-2725106891 [0,1,0,1,0,0|1,1,0]=4 1865 B7R1.1 ClCC1=CC=CO1 MCULE-2683635266 [0,1,0,1,0,0|1,0,0]=3 1866 B7R1.1 ClCC1=CC=CS1 MCULE-8332782682 [0,1,0,1,0,0|1,1,0]=4 1867 B7R1.1 ClCC1=CC=NO1 MCULE-5240884287 [0,1,0,1,0,0|2,0,0]=4 1868 B7R1.1 ClCC1=CN=CO1 MCULE-3059549694 [0,1,0,1,0,0|2,0,0]=4 1869 B7R1.1 ClCC1=CN=CO1 MCULE-5157324132 [0,1,0,1,0,0|2,0,0]=4 1870 B7R1.1 ClCC1=NC=CN1 MCULE-7384129070 [0,1,0,1,0,0|2,0,0]=4 1871 B7R1.1 ClCC1=NC=CN1 MCULE-9116539716 [0,1,0,1,0,0|2,0,0]=4 1872 B7R1.1 ClCC1=NC=CO1 MCULE-8397270188 [0,1,0,1,0,0|1,0,0]=3 1873 B7R1.1 ClCC1=NC=CS1 MCULE-1185780356 [0,1,0,1,0,0|1,1,0]=4 1874 B7R1.1 ClCC1=NC=CS1 MCULE-4939629994 [0,1,0,1,0,0|1,1,0]=4 1875 B7R1.1 ClCC1=NC=NO1 MCULE-8352114139 [0,1,0,1,0,0|2,0,0]=4 1876 B7R1.1 ClCC1=NN=CO1 MCULE-2778881721 [0,1,0,1,0,0|2,0,0]=4 1877 B7R1.1 ICC1=CC=CO1 MCULE-7510696289 [0,1,0,1,0,0|1,0,0]=3 1878 B7R1.1 N#CC1=CC=CO1 MCULE-5841072941 [0,1,0,1,0,0|1,0,1]=4 1879 B7R1.1 N#CC1=NC=CO1 MCULE-7957874271 [0,1,0,1,0,0|1,0,1]=4 1880 B7R1.1 NCC1=CC=CN1 MCULE-3221298054 [0,1,0,1,0,0|2,0,0]=4 1881 B7R1.1 NCC1=CC=CN1 MCULE-5686156853 [0,1,0,1,0,0|2,0,0]=4 1882 B7R1.1 NCC1=CC=CO1 MCULE-3035218209 [0,1,0,1,0,0|1,0,0]=3 1883 B7R1.1 NCC1=CC=CO1 MCULE-8280847881 [0,1,0,1,0,0|1,0,0]=3 1884 B7R1.1 NCC1=CC=CS1 MCULE-5730076896 [0,1,0,1,0,0|1,1,0]=4 1885 B7R1.1 NCC1=CC=CS1 MCULE-5815289362 [0,1,0,1,0,0|1,1,0]=4 1886 B7R1.1 NCC1=CC=NO1 MCULE-4504896342 [0,1,0,1,0,0|2,0,0]=4 1887 B7R1.1 NCC1=CC=NO1 MCULE-6113708508 [0,1,0,1,0,0|2,0,0]=4 1888 B7R1.1 NCC1=CN=CO1 MCULE-4275074650 [0,1,0,1,0,0|2,0,0]=4 1889 B7R1.1 NCC1=CN=CO1 MCULE-7384356342 [0,1,0,1,0,0|2,0,0]=4 1890 B7R1.1 NCC1=CN=CO1 MCULE-8227331702 [0,1,0,1,0,0|2,0,0]=4 1891 B7R1.1 NCC1=NC=CN1 MCULE-3018295283 [0,1,0,1,0,0|2,0,0]=4 1892 B7R1.1 NCC1=NC=CN1 MCULE-3173272320 [0,1,0,1,0,0|2,0,0]=4 1893 B7R1.1 NCC1=NC=CN1 MCULE-7054323206 [0,1,0,1,0,0|2,0,0]=4 1894 B7R1.1 NCC1=NC=CO1 MCULE-4637859153 [0,1,0,1,0,0|1,0,0]=3 1895 B7R1.1 NCC1=NC=CO1 MCULE-7271712199 [0,1,0,1,0,0|1,0,0]=3 1896 B7R1.1 NCC1=NC=CS1 MCULE-2850974677 [0,1,0,1,0,0|1,1,0]=4 1897 B7R1.1 NCC1=NC=CS1 MCULE-5132159035 [0,1,0,1,0,0|1,1,0]=4 1898 B7R1.1 NCC1=NC=CS1 MCULE-6824522664 [0,1,0,1,0,0|1,1,0]=4 1899 B7R1.1 NCC1=NN=CO1 MCULE-3836713435 [0,1,0,1,0,0|2,0,0]=4 1900 B7R1.1 NCC1=NN=CO1 MCULE-9685786187 [0,1,0,1,0,0|2,0,0]=4 1901 B7R1.1 NOC1=CC=CO1 MCULE-1613438607 [0,1,0,1,0,0|0,0,2]=4 1902 B7R1.1 NOC1=CC=CO1 MCULE-4830480468 [0,1,0,1,0,0|0,0,2]=4 1903 B7R1.1 O=CC1=CC=CN1 MCULE-4586543663 [0,1,0,1,0,0|1,0,1]=4 1904 B7R1.1 O=CC1=CC=CO1 MCULE-5757882837 [0,1,0,1,0,0|0,0,1]=3 1905 B7R1.1 O=CC1=CC=CS1 MCULE-8254409353 [0,1,0,1,0,0|0,1,1]=4 1906 B7R1.1 O=CC1=CC=C[Se]1 MCULE-2409744709 [0,1,0,1,0,0|0,1,1]=4 1907 B7R1.1 O=CC1=CC=NO1 MCULE-9603824695 [0,1,0,1,0,0|1,0,1]=4 1908 B7R1.1 O=CC1=CN=CO1 MCULE-7235306258 [0,1,0,1,0,0|1,0,1]=4 1909 B7R1.1 O=CC1=NC=CN1 MCULE-7353417190 [0,1,0,1,0,0|2,0,0]=4 1910 B7R1.1 O=CC1=NC=CO1 MCULE-6908871529 [0,1,0,1,0,0|1,0,0]=3 1911 B7R1.1 O=CC1=NC=CS1 MCULE-4910648704 [0,1,0,1,0,0|1,1,0]=4 1912 B7R1.1 O=CC1=NC=CS1 MCULE-9818043026 [0,1,0,1,0,0|1,1,0]=4 1913 B7R1.1 O=CC1=NN=CO1 MCULE-2019186249 [0,1,0,1,0,0|2,0,0]=4 1914 B7R1.1 O=CC1CC=CC1 MCULE-1563456893 [0,1,0,1,0,0|1,0,1]=4 1915 B7R1.1 O=S=C1NC=CO1 MCULE-4980537256 [0,1,0,1,0,0|1,0,0]=3 1916 B7R1.1 OCC1=CC=CN1 MCULE-5325446270 [0,1,0,1,0,0|2,0,0]=4 1917 B7R1.1 OCC1=CC=CO1 MCULE-4977977402 [0,1,0,1,0,0|1,0,0]=3 1918 B7R1.1 OCC1=CC=CS1 MCULE-8365761000 [0,1,0,1,0,0|1,1,0]=4 1919 B7R1.1 OCC1=CC=NO1 MCULE-9887136642 [0,1,0,1,0,0|2,0,0]=4 1920 B7R1.1 OCC1=CN=CO1 MCULE-5114487613 [0,1,0,1,0,0|2,0,0]=4 1921 B7R1.1 OCC1=NC=CN1 MCULE-2118723726 [0,1,0,1,0,0|2,0,0]=4 1922 B7R1.1 OCC1=NC=CN1 MCULE-8280197279 [0,1,0,1,0,0|2,0,0]=4 1923 B7R1.1 OCC1=NC=CO1 MCULE-9104936820 [0,1,0,1,0,0|1,0,0]=3 1924 B7R1.1 OCC1=NC=CS1 MCULE-1365703098 [0,1,0,1,0,0|1,1,0]=4 1925 B7R1.1 OCC1=NC=CS1 MCULE-6771352555 [0,1,0,1,0,0|1,1,0]=4 1926 B7R1.1 OCC1=NC=NO1 MCULE-9715456804 [0,1,0,1,0,0|2,0,0]=4 1927 B7R1.1 OCC1=NN=CO1 MCULE-3917899910 [0,1,0,1,0,0|2,0,0]=4 1928 B7R1.1 SCC1=CC=CO1 MCULE-3419389361 [0,1,0,1,0,0|1,0,0]=3 1929 B7R1.1 SCC1=CC=CS1 MCULE-8555593113 [0,1,0,1,0,0|1,1,0]=4 1930 B7R1.1 SCC1=NC=CS1 MCULE-6508521215 [0,1,0,1,0,0|1,1,0]=4 1931 B7R1.2 BrC1=CC=C(O1)Br MCULE-3006502201 [0,1,0,1,0,0|1,0,1]=4 1932 B7R1.2 BrC1=COC(=C1)Br MCULE-2229692941 [0,1,0,1,0,0|1,0,1]=4 1933 B7R1.2 BrC1=COC(=N1)Br MCULE-6704583546 [0,1,0,1,0,0|2,0,0]=4 1934 B7R1.2 BrC1=NC=C(O1)I MCULE-3868467296 [0,1,0,1,0,0|2,0,0]=4 1935 B7R1.2 C=C1C=CC(=O)O1 MCULE-1046353319 [0,1,0,1,0,0|0,0,1]=3 1936 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,1,0,1,0,0|0,0,0]=2 1937 B7R1.2 C=C1CNC(=S)S1 MCULE-5840114105 [0,1,0,1,0,0|0,2,0]=4 1938 B7R1.2 CC1=CC(=CO1)Br MCULE-1365881695 [0,1,0,1,0,0|1,0,0]=3 1939 B7R1.2 CC1=CC(=CS1)Br MCULE-9701843608 [0,1,0,1,0,0|1,1,0]=4 1940 B7R1.2 CC1=CC(=CS1)Cl MCULE-1661832667 [0,1,0,1,0,0|1,1,0]=4 1941 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [0,1,0,1,0,0|1,1,0]=4 1942 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [0,1,0,1,0,0|1,1,0]=4 1943 B7R1.2 CC1=CC(=NO1)Br MCULE-8203630178 [0,1,0,1,0,0|2,0,0]=4 1944 B7R1.2 CC1=CC(=NO1)C MCULE-5128459474 [0,1,0,1,0,0|1,0,1]=4 1945 B7R1.2 CC1=CC(=NO1)N MCULE-4538523254 [0,1,0,1,0,0|2,0,0]=4 1946 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,1,0,1,0,0|1,0,1]=4 1947 B7R1.2 CC1=CC(=O)CO1 MCULE-6570401610 [0,1,0,1,0,0|0,0,2]=4 1948 B7R1.2 CC1=CC(=O)NO1 MCULE-4569959155 [0,1,0,1,0,0|0,0,2]=4 1949 B7R1.2 CC1=CC(=O)OC1 MCULE-6549202383 [0,1,0,1,0,0|0,0,2]=4 1950 B7R1.2 CC1=CC=C(N1)C MCULE-2630115640 [0,1,0,1,0,0|2,0,0]=4 1951 B7R1.2 CC1=CC=C(N1)Cl MCULE-6650692655 [0,1,0,1,0,0|2,0,0]=4 1952 B7R1.2 CC1=CC=C(O1)Br MCULE-2815956180 [0,1,0,1,0,0|1,0,0]=3 1953 B7R1.2 CC1=CC=C(O1)C MCULE-2776549830 [0,1,0,1,0,0|1,0,0]=3 1954 B7R1.2 CC1=CC=C(O1)N MCULE-5583871788 [0,1,0,1,0,0|1,0,0]=3 1955 B7R1.2 CC1=CC=C(S1)Br MCULE-9870970320 [0,1,0,1,0,0|1,1,0]=4 1956 B7R1.2 CC1=CC=C(S1)C MCULE-6651491312 [0,1,0,1,0,0|1,1,0]=4 1957 B7R1.2 CC1=CC=C(S1)C MCULE-7283016932 [0,1,0,1,0,0|1,1,0]=4 1958 B7R1.2 CC1=CC=C(S1)Cl MCULE-9463412923 [0,1,0,1,0,0|1,1,0]=4 1959 B7R1.2 CC1=CC=C(S1)I MCULE-3339364572 [0,1,0,1,0,0|1,1,0]=4 1960 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [0,1,0,1,0,0|1,1,0]=4 1961 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [0,1,0,1,0,0|1,1,0]=4 1962 B7R1.2 CC1=CC=C(S1)O MCULE-7587913788 [0,1,0,1,0,0|1,1,0]=4 1963 B7R1.2 CC1=CC=C(S1)S MCULE-9072205252 [0,1,0,1,0,0|1,1,0]=4 1964 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,1,0,1,0,0|0,0,0]=2 1965 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,1,0,1,0,0|0,0,0]=2 1966 B7R1.2 CC1=CCC(=O)S1 MCULE-5812502919 [0,1,0,1,0,0|0,1,0]=3 1967 B7R1.2 CC1=CN=C(O1)Br MCULE-3952379614 [0,1,0,1,0,0|2,0,0]=4 1968 B7R1.2 CC1=CN=C(O1)C MCULE-8416988900 [0,1,0,1,0,0|1,0,0]=3 1969 B7R1.2 CC1=CN=C(O1)Cl MCULE-1762464687 [0,1,0,1,0,0|2,0,0]=4 1970 B7R1.2 CC1=CN=C(O1)Cl MCULE-3921580627 [0,1,0,1,0,0|2,0,0]=4 1971 B7R1.2 CC1=CN=C(O1)I MCULE-4568617242 [0,1,0,1,0,0|2,0,0]=4 1972 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [0,1,0,1,0,0|2,0,0]=4 1973 B7R1.2 CC1=CN=C(S1)C MCULE-9725720944 [0,1,0,1,0,0|1,1,0]=4 1974 B7R1.2 CC1=CNC(=C1)C MCULE-6480137920 [0,1,0,1,0,0|2,0,0]=4 1975 B7R1.2 CC1=CNC(=N1)C MCULE-1883967566 [0,1,0,1,0,0|2,0,0]=4 1976 B7R1.2 CC1=CNC(=O)N1 MCULE-7571832495 [0,1,0,1,0,0|2,0,0]=4 1977 B7R1.2 CC1=COC(=C1)C MCULE-9104872009 [0,1,0,1,0,0|1,0,0]=3 1978 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [0,1,0,1,0,0|2,0,0]=4 1979 B7R1.2 CC1=COC(=N1)Br MCULE-3628895128 [0,1,0,1,0,0|2,0,0]=4 1980 B7R1.2 CC1=COC(=N1)C MCULE-3626673481 [0,1,0,1,0,0|1,0,0]=3 1981 B7R1.2 CC1=COC(=N1)Cl MCULE-8812650506 [0,1,0,1,0,0|2,0,0]=4 1982 B7R1.2 CC1=COC(=N1)S MCULE-7659225823 [0,1,0,1,0,0|1,1,0]=4 1983 B7R1.2 CC1=CSC(=C1)C MCULE-9938369670 [0,1,0,1,0,0|1,1,0]=4 1984 B7R1.2 CC1=CSC(=N1)C MCULE-2033387460 [0,1,0,1,0,0|1,1,0]=4 1985 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,1,0,1,0,0|1,1,0]=4 1986 B7R1.2 CC1=NC(=CN1)Br MCULE-7128800979 [0,1,0,1,0,0|2,0,0]=4 1987 B7R1.2 CC1=NC(=CN1)I MCULE-3668066625 [0,1,0,1,0,0|2,0,0]=4 1988 B7R1.2 CC1=NC(=CO1)Br MCULE-4921013012 [0,1,0,1,0,0|1,0,0]=3 1989 B7R1.2 CC1=NC(=CS1)Br MCULE-7210746643 [0,1,0,1,0,0|1,1,0]=4 1990 B7R1.2 CC1=NC(=CS1)N MCULE-3086911944 [0,1,0,1,0,0|1,1,0]=4 1991 B7R1.2 CC1=NC(=CS1)N MCULE-4543325094 [0,1,0,1,0,0|1,1,0]=4 1992 B7R1.2 CC1=NC(=CS1)O MCULE-2657600711 [0,1,0,1,0,0|1,1,0]=4 1993 B7R1.2 CC1=NC(=NO1)Br MCULE-7579897482 [0,1,0,1,0,0|2,0,0]=4 1994 B7R1.2 CC1=NC(=NO1)Cl MCULE-6633327000 [0,1,0,1,0,0|2,0,0]=4 1995 B7R1.2 CC1=NC(=NO1)N MCULE-8189524601 [0,1,0,1,0,0|2,0,0]=4 1996 B7R1.2 CC1=NC=C(O1)Br MCULE-1770948017 [0,1,0,1,0,0|1,0,0]=3 1997 B7R1.2 CC1=NC=C(O1)Br MCULE-4635846619 [0,1,0,1,0,0|1,0,0]=3 1998 B7R1.2 CC1=NC=C(O1)N MCULE-9670426348 [0,1,0,1,0,0|1,0,0]=3 1999 B7R1.2 CC1=NC=C(S1)Br MCULE-7258487155 [0,1,0,1,0,0|1,1,0]=4 2000 B7R1.2 CC1=NC=C(S1)Cl MCULE-5653448054 [0,1,0,1,0,0|1,1,0]=4 2001 B7R1.2 CC1=NC=C(S1)I MCULE-1452945094 [0,1,0,1,0,0|1,1,0]=4 2002 B7R1.2 CC1=NC=C(S1)N MCULE-2117348978 [0,1,0,1,0,0|1,1,0]=4 2003 B7R1.2 CC1=NC=C(S1)N MCULE-3448900159 [0,1,0,1,0,0|1,1,0]=4 2004 B7R1.2 CC1=NN=C(O1)Br MCULE-4777799057 [0,1,0,1,0,0|2,0,0]=4 2005 B7R1.2 CC1=NN=C(O1)C MCULE-8675560585 [0,1,0,1,0,0|1,0,1]=4 2006 B7R1.2 CC1=NN=C(O1)Cl MCULE-9822886021 [0,1,0,1,0,0|2,0,0]=4 2007 B7R1.2 CC1=NN=C(O1)I MCULE-5284769897 [0,1,0,1,0,0|2,0,0]=4 2008 B7R1.2 CC1=NN=C(O1)N MCULE-4286573489 [0,1,0,1,0,0|2,0,0]=4 2009 B7R1.2 CC1=NN=C(O1)O MCULE-8136744513 [0,1,0,1,0,0|2,0,0]=4 2010 B7R1.2 CC1=NNC(=O)C1 MCULE-2406140611 [0,1,0,1,0,0|1,0,1]=4 2011 B7R1.2 CC1=NNC(=S)O1 MCULE-1357179698 [0,1,0,1,0,0|2,0,0]=4 2012 B7R1.2 CC1=NOC(=C1)Br MCULE-6794061121 [0,1,0,1,0,0|2,0,0]=4 2013 B7R1.2 CC1=NOC(=C1)I MCULE-5795495546 [0,1,0,1,0,0|2,0,0]=4 2014 B7R1.2 CC1=NOC(=C1)N MCULE-2719601999 [0,1,0,1,0,0|2,0,0]=4 2015 B7R1.2 CC1=NOC(=C1)O MCULE-4469914138 [0,1,0,1,0,0|2,0,0]=4 2016 B7R1.2 CC1=NOC(=C1)[O-] MCULE-1851467961 [0,1,0,1,0,0|2,0,0]=4 2017 B7R1.2 CC1=NOC(=N1)Br MCULE-7788469211 [0,1,0,1,0,0|2,0,0]=4 2018 B7R1.2 CC1=NOC(=N1)N MCULE-7788127715 [0,1,0,1,0,0|2,0,0]=4 2019 B7R1.2 CC1=NOC(=N1)O MCULE-2537387972 [0,1,0,1,0,0|2,0,0]=4 2020 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,1,0,1,0,0|0,0,1]=3 2021 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,1,0,1,0,0|0,0,1]=3 2022 B7R1.2 CC1=NOC(=O)O1 MCULE-5416417255 [0,1,0,1,0,0|1,0,1]=4 2023 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,1,0,1,0,0|0,0,2]=4 2024 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,1,0,1,0,0|0,0,2]=4 2025 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,1,0,1,0,0|0,0,2]=4 2026 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,1,0,0|0,0,2]=4 2027 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,1,0,0|0,0,2]=4 2028 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,1,0,1,0,0|0,0,2]=4 2029 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,1,0,1,0,0|0,0,2]=4 2030 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,1,0,0|0,0,2]=4 2031 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,1,0,0|0,0,2]=4 2032 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,1,0,0|0,0,2]=4 2033 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,1,0,0|0,0,2]=4 2034 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,1,0,1,0,0|0,0,2]=4 2035 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,1,0,1,0,0|0,0,2]=4 2036 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,1,0,1,0,0|0,0,2]=4 2037 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,1,0,0|0,0,2]=4 2038 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,1,0,1,0,0|0,0,2]=4 2039 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,1,0,1,0,0|0,0,2]=4 2040 B7R1.2 IC1=COC(=N1)I MCULE-5488834762 [0,1,0,1,0,0|2,0,0]=4 2041 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,1,0,1,0,0|2,0,0]=4 2042 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,1,0,1,0,0|1,0,1]=4 2043 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,1,0,1,0,0|2,0,0]=4 2044 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,1,0,1,0,0|2,0,0]=4 2045 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,1,0,1,0,0|2,0,0]=4 2046 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,1,0,1,0,0|2,0,0]=4 2047 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,1,0,1,0,0|2,0,0]=4 2048 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,1,0,1,0,0|2,0,0]=4 2049 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,1,0,1,0,0|1,1,0]=4 2050 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,1,0,1,0,0|2,0,0]=4 2051 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,1,0,0|0,0,2]=4 2052 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,1,0,0|0,0,2]=4 2053 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,1,0,0|0,0,2]=4 2054 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,1,0,0|0,0,2]=4 2055 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,1,0,0|0,0,2]=4 2056 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,1,0,0|0,0,2]=4 2057 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,1,0,0|0,0,2]=4 2058 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,1,0,0|0,0,2]=4 2059 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,1,0,0|0,0,2]=4 2060 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,1,0,0|0,0,2]=4 2061 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,1,0,0|0,0,2]=4 2062 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,1,0,0|0,0,2]=4 2063 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,1,0,1,0,0|1,0,1]=4 2064 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,1,0,1,0,0|1,0,1]=4 2065 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,1,0,1,0,0|1,0,1]=4 2066 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,1,0,1,0,0|1,0,1]=4 2067 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,1,0,1,0,0|2,0,0]=4 2068 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,1,0,1,0,0|2,0,0]=4 2069 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,1,0,1,0,0|0,0,2]=4 2070 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,1,0,1,0,0|0,0,2]=4 2071 B7R1.2 O=C1C=CC(=O)C1 MCULE-7662591278 [0,1,0,1,0,0|1,0,0]=3 2072 B7R1.2 O=C1C=CC(=O)N1 MCULE-3677915339 [0,1,0,1,0,0|1,0,1]=4 2073 B7R1.2 O=C1C=CC(=O)O1 MCULE-5322674641 [0,1,0,1,0,0|0,0,1]=3 2074 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,1,0,1,0,0|1,0,1]=4 2075 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [0,1,0,1,0,0|0,0,2]=4 2076 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,1,0,1,0,0|0,0,2]=4 2077 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,1,0,1,0,0|1,0,1]=4 2078 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,1,0,1,0,0|1,0,1]=4 2079 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,1,0,1,0,0|0,0,0]=2 2080 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,1,0,1,0,0|2,0,0]=4 2081 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,1,0,0|0,0,2]=4 2082 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,1,0,0|0,0,2]=4 2083 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,1,0,1,0,0|1,0,1]=4 2084 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,1,0,1,0,0|1,0,1]=4 2085 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,1,0,1,0,0|0,0,1]=3 2086 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,1,0,1,0,0|0,0,2]=4 2087 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,1,0,0|0,0,2]=4 2088 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,1,0,1,0,0|1,0,1]=4 2089 B7R1.2 O=C1CNC(=O)N1 MCULE-6812812243 [0,1,0,1,0,0|2,0,0]=4 2090 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,1,0,1,0,0|1,0,0]=3 2091 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,1,0,1,0,0|1,1,0]=4 2092 B7R1.2 O=C1CNC(=S)N1 MCULE-3766479597 [0,1,0,1,0,0|2,0,0]=4 2093 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,1,0,1,0,0|1,1,0]=4 2094 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,1,0,1,0,0|0,0,1]=3 2095 B7R1.2 O=C1COC(=O)N1 MCULE-3103815953 [0,1,0,1,0,0|1,0,1]=4 2096 B7R1.2 O=C1COC(=O)[N-]1 MCULE-2786348217 [0,1,0,1,0,0|1,0,1]=4 2097 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,1,0,1,0,0|2,0,0]=4 2098 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,1,0,1,0,0|2,0,0]=4 2099 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,1,0,0|0,0,2]=4 2100 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,1,0,0|0,0,2]=4 2101 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,1,0,0|0,0,2]=4 2102 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,1,0,0|0,0,2]=4 2103 B7R1.2 O=C1NC(=CS1)O MCULE-2237666080 [0,1,0,1,0,0|1,1,0]=4 2104 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,1,0,1,0,0|2,0,0]=4 2105 B7R1.2 O=C1NC=C(S1)Cl MCULE-7571560638 [0,1,0,1,0,0|1,1,0]=4 2106 B7R1.2 O=C1NCC(=S)N1 MCULE-9753398150 [0,1,0,1,0,0|2,0,0]=4 2107 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,1,0,1,0,0|2,0,0]=4 2108 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,1,0,1,0,0|1,0,1]=4 2109 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,1,0,1,0,0|1,0,1]=4 2110 B7R1.3 CC1=CC=CC=C1 MCULE-4817136027 [0,1,0,1,0,0|2,0,0]=4 2111 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [0,1,0,1,0,0|2,0,0]=4 2112 B7R1.3 CC1=CC=NC=C1 MCULE-2244521363 [0,1,0,1,0,0|2,0,0]=4 2113 B7R1.3 CC1=CC=NC=C1 MCULE-5336385904 [0,1,0,1,0,0|2,0,0]=4 2114 B7R1.3 CC1=CC=NC=N1 MCULE-7063100764 [0,1,0,1,0,0|2,0,0]=4 2115 B7R1.3 CC1=CCC=CC1 MCULE-8148706670 [0,1,0,1,0,0|2,0,0]=4 2116 B7R1.3 CC1=CN=CC=C1 MCULE-7651055603 [0,1,0,1,0,0|2,0,0]=4 2117 B7R1.3 CC1=NC=CC=C1 MCULE-3857746542 [0,1,0,1,0,0|2,0,0]=4 2118 B7R1.3 CC1=NC=CC=N1 MCULE-4218922171 [0,1,0,1,0,0|2,0,0]=4 2119 B7R1.3 CC1=NC=CN=C1 MCULE-8697656728 [0,1,0,1,0,0|2,0,0]=4 2120 B7R1.3 CC1=NC=CN=N1 MCULE-7324585353 [0,1,0,1,0,0|2,0,0]=4 2121 B7R1.3 CC1=NC=NC=N1 MCULE-5703059058 [0,1,0,1,0,0|2,0,0]=4 2122 B7R1.3 CC1=NN=CC=C1 MCULE-3738378616 [0,1,0,1,0,0|2,0,0]=4 2123 B7R1.3 O=C1C=CC=CO1 MCULE-1962369480 [0,1,0,1,0,0|0,0,1]=3 2124 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,1,0,1,0,0|1,0,1]=4 2125 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,1,0,1,0,0|1,0,1]=4 2126 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,1,0,1,0,0|0,0,2]=4 2127 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [0,1,0,1,0,0|0,0,2]=4 2128 B7R1.3 O=C1C=COC=C1 MCULE-4737810636 [0,1,0,1,0,0|1,0,1]=4 2129 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,1,0,1,0,0|1,0,1]=4 2130 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [0,1,0,1,0,0|2,0,0]=4 2131 B7R1.3 O=C1C=NC=CN1 MCULE-1637832118 [0,1,0,1,0,0|1,0,1]=4 2132 B7R1.3 O=C1CC=CCN1 MCULE-7370958955 [0,1,0,1,0,0|1,0,0]=3 2133 B7R1.3 O=C1CC=CN=N1 MCULE-5717852017 [0,1,0,1,0,0|1,0,0]=3 2134 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [0,1,0,1,0,0|0,0,0]=2 2135 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,1,0,1,0,0|0,0,2]=4 2136 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,1,0,1,0,0|0,0,2]=4 2137 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,1,0,1,0,0|0,0,2]=4 2138 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,1,0,1,0,0|0,0,2]=4 2139 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,1,0,1,0,0|0,0,2]=4 2140 B7R1.3 O=C1CSC=CN1 MCULE-7195428643 [0,1,0,1,0,0|1,0,0]=3 2141 B7R1.3 O=C1N=CC=CN1 MCULE-7966583838 [0,1,0,1,0,0|1,0,1]=4 2142 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,1,0,1,0,0|0,0,2]=4 2143 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,1,0,1,0,0|0,0,2]=4 2144 B7R1.4 BrC1=C(OC=C1)Br MCULE-7426166356 [0,1,0,1,0,0|1,0,1]=4 2145 B7R1.4 BrC1=C(OC=C1)I MCULE-5137662121 [0,1,0,1,0,0|1,0,1]=4 2146 B7R1.4 CC1=C(C=CO1)Br MCULE-5272760073 [0,1,0,1,0,0|1,0,0]=3 2147 B7R1.4 CC1=C(C=CO1)N MCULE-8304976100 [0,1,0,1,0,0|1,0,0]=3 2148 B7R1.4 CC1=C(C=CO1)S MCULE-3331659980 [0,1,0,1,0,0|0,1,0]=3 2149 B7R1.4 CC1=C(C=CO1)S MCULE-8172133853 [0,1,0,1,0,0|0,1,0]=3 2150 B7R1.4 CC1=C(C=CS1)Br MCULE-6374195818 [0,1,0,1,0,0|1,1,0]=4 2151 B7R1.4 CC1=C(C=CS1)Cl MCULE-9362082266 [0,1,0,1,0,0|1,1,0]=4 2152 B7R1.4 CC1=C(C=CS1)N MCULE-4152889855 [0,1,0,1,0,0|1,1,0]=4 2153 B7R1.4 CC1=C(C=CS1)N MCULE-4377439924 [0,1,0,1,0,0|1,1,0]=4 2154 B7R1.4 CC1=C(C=NO1)Br MCULE-3480380556 [0,1,0,1,0,0|2,0,0]=4 2155 B7R1.4 CC1=C(C=NO1)I MCULE-1012314205 [0,1,0,1,0,0|2,0,0]=4 2156 B7R1.4 CC1=C(C=NO1)N MCULE-4982899453 [0,1,0,1,0,0|2,0,0]=4 2157 B7R1.4 CC1=C(C=NO1)N MCULE-8792251798 [0,1,0,1,0,0|2,0,0]=4 2158 B7R1.4 CC1=C(N=CO1)Br MCULE-5720800030 [0,1,0,1,0,0|2,0,0]=4 2159 B7R1.4 CC1=C(N=CO1)Br MCULE-6592849789 [0,1,0,1,0,0|2,0,0]=4 2160 B7R1.4 CC1=C(NC=C1)C MCULE-3747569551 [0,1,0,1,0,0|2,0,0]=4 2161 B7R1.4 CC1=C(OC=C1)Br MCULE-4484142471 [0,1,0,1,0,0|1,0,0]=3 2162 B7R1.4 CC1=C(OC=C1)C MCULE-1944160075 [0,1,0,1,0,0|1,0,0]=3 2163 B7R1.4 CC1=C(OC=N1)Br MCULE-1847779575 [0,1,0,1,0,0|2,0,0]=4 2164 B7R1.4 CC1=C(OC=N1)Br MCULE-6842310823 [0,1,0,1,0,0|2,0,0]=4 2165 B7R1.4 CC1=C(OC=N1)C MCULE-6212214015 [0,1,0,1,0,0|2,0,0]=4 2166 B7R1.4 CC1=C(OC=N1)N MCULE-5764234577 [0,1,0,1,0,0|2,0,0]=4 2167 B7R1.4 CC1=C(ON=C1)C MCULE-2037233742 [0,1,0,1,0,0|2,0,0]=4 2168 B7R1.4 CC1=C(ON=C1)N MCULE-1189999644 [0,1,0,1,0,0|2,0,0]=4 2169 B7R1.4 CC1=C(SC=C1)Br MCULE-3746729659 [0,1,0,1,0,0|1,1,0]=4 2170 B7R1.4 CC1=C(SC=C1)C MCULE-6742776055 [0,1,0,1,0,0|1,1,0]=4 2171 B7R1.4 CC1=C(SC=C1)Cl MCULE-4683627316 [0,1,0,1,0,0|1,1,0]=4 2172 B7R1.4 CC1=C(SC=C1)I MCULE-4074297086 [0,1,0,1,0,0|1,1,0]=4 2173 B7R1.4 CC1=C(SC=C1)S MCULE-6807943440 [0,1,0,1,0,0|0,2,0]=4 2174 B7R1.4 CC1=CC=CN1C MCULE-7997774693 [0,1,0,1,0,0|2,0,0]=4 2175 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,1,0,1,0,0|1,0,1]=4 2176 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,1,0,0|0,0,1]=3 2177 B7R1.4 CC1=CNNC1=O MCULE-9098077492 [0,1,0,1,0,0|2,0,0]=4 2178 B7R1.4 CC1=NC=CN1C MCULE-6619799827 [0,1,0,1,0,0|2,0,0]=4 2179 B7R1.4 CC1=NC=CN1N MCULE-7103111251 [0,1,0,1,0,0|2,0,0]=4 2180 B7R1.4 CC1C=NNC1=O MCULE-2547711142 [0,1,0,1,0,0|2,0,0]=4 2181 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,1,0,0|0,0,2]=4 2182 B7R1.4 CN1C=CC=C1Cl MCULE-2760073099 [0,1,0,1,0,0|2,0,0]=4 2183 B7R1.4 CN1C=CC=C1O MCULE-1520569878 [0,1,0,1,0,0|1,0,1]=4 2184 B7R1.4 CN1C=CN=C1Br MCULE-7145092626 [0,1,0,1,0,0|2,0,0]=4 2185 B7R1.4 CN1C=CN=C1Br MCULE-9624456848 [0,1,0,1,0,0|2,0,0]=4 2186 B7R1.4 CN1C=CN=C1Br MCULE-9641055441 [0,1,0,1,0,0|2,0,0]=4 2187 B7R1.4 CN1C=CN=C1Cl MCULE-2044150179 [0,1,0,1,0,0|2,0,0]=4 2188 B7R1.4 CN1C=CN=C1F MCULE-8834010271 [0,1,0,1,0,0|2,0,0]=4 2189 B7R1.4 CN1C=CN=C1I MCULE-7034235074 [0,1,0,1,0,0|2,0,0]=4 2190 B7R1.4 CN1C=CN=C1N MCULE-2411967317 [0,1,0,1,0,0|2,0,0]=4 2191 B7R1.4 CN1C=CN=C1N MCULE-3692285948 [0,1,0,1,0,0|2,0,0]=4 2192 B7R1.4 CN1C=CN=C1S MCULE-9902292741 [0,1,0,1,0,0|1,1,0]=4 2193 B7R1.4 CN1C=CNC1=O MCULE-9198950029 [0,1,0,1,0,0|1,0,0]=3 2194 B7R1.4 CN1C=CSC1=N MCULE-1912030151 [0,1,0,1,0,0|1,1,0]=4 2195 B7R1.4 CN1C=CSC1=N MCULE-5071203135 [0,1,0,1,0,0|1,1,0]=4 2196 B7R1.4 CN1C=NNC1=O MCULE-2122203722 [0,1,0,1,0,0|2,0,0]=4 2197 B7R1.4 CN1CC=CC1=O MCULE-7879549885 [0,1,0,1,0,0|1,0,1]=4 2198 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,1,0,0|0,0,2]=4 2199 B7R1.4 CN1N=CCC1=O MCULE-2362806196 [0,1,0,1,0,0|2,0,0]=4 2200 B7R1.4 CN1NC=CC1=O MCULE-4425265471 [0,1,0,1,0,0|2,0,0]=4 2201 B7R1.4 CN1NC=NC1=O MCULE-2476320995 [0,1,0,1,0,0|2,0,0]=4 2202 B7R1.4 CN1SC=CC1=O MCULE-3887229553 [0,1,0,1,0,0|1,1,0]=4 2203 B7R1.4 CN1SC=CC1=O MCULE-5825912822 [0,1,0,1,0,0|1,1,0]=4 2204 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,1,0,0|0,0,2]=4 2205 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,1,0,0|0,0,2]=4 2206 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,1,0,0|0,0,2]=4 2207 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,1,0,0|0,0,2]=4 2208 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,1,0,0|0,0,2]=4 2209 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,1,0,0|0,0,2]=4 2210 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,1,0,0|0,0,2]=4 2211 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,1,0,0|0,0,2]=4 2212 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,1,0,0|0,0,2]=4 2213 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,1,0,0|0,0,2]=4 2214 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,1,0,0|0,0,2]=4 2215 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,1,0,0|0,0,2]=4 2216 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,1,0,0|0,0,2]=4 2217 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,1,0,0|0,0,2]=4 2218 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,1,0,0|0,0,2]=4 2219 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,1,0,0|0,0,2]=4 2220 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,1,0,1,0,0|1,0,1]=4 2221 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,1,0,1,0,0|1,0,1]=4 2222 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,1,0,0|1,0,1]=4 2223 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,1,0,1,0,0|0,0,2]=4 2224 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,1,0,0|0,0,2]=4 2225 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,1,0,0|0,0,2]=4 2226 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,1,0,0|0,0,2]=4 2227 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,1,0,0|0,0,2]=4 2228 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,1,0,0|0,0,2]=4 2229 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,1,0,0|0,0,2]=4 2230 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,1,0,0|0,0,2]=4 2231 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,1,0,0|0,0,2]=4 2232 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [0,1,0,1,0,0|1,0,0]=3 2233 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [0,1,0,1,0,0|1,0,0]=3 2234 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,1,0,1,0,0|0,0,2]=4 2235 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,1,0,1,0,0|2,0,0]=4 2236 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,1,0,1,0,0|2,0,0]=4 2237 B7R1.18 CC(=O)N1C=CC1 MCULE-4207230175 [0,1,0,1,0,0|1,0,0]=3 2238 B7R1.14 CP1(=O)CC=CC1 MCULE-4152900149 [0,1,0,1,0,0|2,0,0]=4 2239 B7R1.14 O=P1(CC=CC1)Cl MCULE-8307035489 [0,1,0,1,0,0|2,0,0]=4 2240 B7R1.14 O=S1(=O)C=CCO1 MCULE-5410343136 [0,1,0,1,0,0|2,0,0]=4 2241 B7R1.14 O=S1(=O)CC=CC1 MCULE-5003570891 [0,1,0,1,0,0|2,0,0]=4