0 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.1 C(C)(N)CCC MCULE-4800297905 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C(C)(N)CCC MCULE-7674864567 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [0,0,0,0,0,0|1,1,2]=4 5 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,0,0,0,0,0|1,1,2]=4 6 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,0,0,0,0,0|1,1,2]=4 7 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,0,0,0,0,0|1,1,2]=4 8 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [0,0,0,0,0,0|1,0,0]=1 9 B5R0.1 C=C(Br)CCO MCULE-3743908958 [0,0,0,0,0,0|0,0,0]=0 10 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,0,0,0,0,0|2,0,0]=2 11 B5R0.1 C=C(C)CCBr MCULE-3439794005 [0,0,0,0,0,0|2,0,0]=2 12 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,0,0,0,0,0|2,0,0]=2 13 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,0,0,0,0,0|2,0,0]=2 14 B5R0.1 C=C(C)CCI MCULE-6317205481 [0,0,0,0,0,0|2,0,0]=2 15 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,0,0,0,0,0|2,0,0]=2 16 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,0,0,0,0,0|2,0,0]=2 17 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,0,0,0,0,0|1,0,0]=1 18 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,0,0,0,0,0|3,0,0]=3 21 B5R0.1 C=C(C)CON MCULE-2773974323 [0,0,0,0,0,0|3,0,0]=3 22 B5R0.1 C=C(C)CON MCULE-5978680243 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,0,0,0,0,0|3,0,0]=3 24 B5R0.1 C=CCC(=C)C MCULE-6294070836 [0,0,0,0,0,0|2,0,1]=3 25 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,0,0,0,0,0|3,0,1]=4 26 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [0,0,0,0,0,0|2,1,1]=4 27 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,0,0,0,0,0|3,0,1]=4 28 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 C=CCC(C)Br MCULE-5638987302 [0,0,0,0,0,0|1,0,3]=4 30 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,0,0,0,0,0|4,0,0]=4 31 B5R0.1 C=NCC(=S)N MCULE-6261527142 [0,0,0,0,0,0|4,0,0]=4 32 B5R0.1 CC(=CCBr)C MCULE-7961276795 [0,0,0,0,0,0|2,0,2]=4 33 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,0,0,0,0,0|2,0,2]=4 34 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,0,0,0,0,0|1,1,2]=4 35 B5R0.1 CC(=CCI)I MCULE-4204968539 [0,0,0,0,0,0|1,1,2]=4 36 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,0,0,0,0,0|1,1,2]=4 39 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,0,0,0,0,0|1,1,2]=4 40 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,0,0,0,0,0|1,0,2]=3 41 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,0,0,0,0,0|0,1,2]=3 42 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,0,0,0,0,0|0,1,2]=3 43 B5R0.1 CC(=CCS)C MCULE-4180446913 [0,0,0,0,0,0|1,1,2]=4 44 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,0,0,0,0,0|2,0,2]=4 45 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,0,0,0,0,0|2,0,2]=4 46 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,0,0,0,0,0|2,0,2]=4 47 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,0,0,0,0,0|2,0,2]=4 48 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,0,0,0,0,0|2,0,1]=3 49 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,0,0,0,0,0|2,0,1]=3 50 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,0,0,0,0,0|2,0,1]=3 51 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,0,0,0,0,0|2,0,1]=3 52 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,0,0,0,0,0|1,0,1]=2 53 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,0,0,0,0,0|2,0,1]=3 54 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,0,0,0,0,0|3,0,1]=4 56 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,0,0,0,0,0|3,0,1]=4 57 B5R0.1 CC(Br)CC#N MCULE-6321379216 [0,0,0,0,0,0|1,0,3]=4 58 B5R0.1 CC(Br)CCBr MCULE-1045475402 [0,0,0,0,0,0|1,0,2]=3 59 B5R0.1 CC(C)CCBr MCULE-7163010428 [0,0,0,0,0,0|2,0,2]=4 60 B5R0.1 CC(C)CCCl MCULE-8360122696 [0,0,0,0,0,0|2,0,2]=4 61 B5R0.1 CC(C)CCCl MCULE-9017922949 [0,0,0,0,0,0|2,0,2]=4 62 B5R0.1 CC(C)CCI MCULE-4934529500 [0,0,0,0,0,0|2,0,2]=4 63 B5R0.1 CC(C)CCN MCULE-3081003576 [0,0,0,0,0,0|2,0,2]=4 64 B5R0.1 CC(C)CCN MCULE-5118782389 [0,0,0,0,0,0|2,0,2]=4 65 B5R0.1 CC(C)CCN MCULE-5217981670 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.1 CC(C)CCN MCULE-6280940933 [0,0,0,0,0,0|2,0,2]=4 67 B5R0.1 CC(C)CCO MCULE-7411270401 [0,0,0,0,0,0|1,0,2]=3 68 B5R0.1 CC(C)CCS MCULE-7115473363 [0,0,0,0,0,0|1,1,2]=4 69 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [0,0,0,0,0,0|1,1,2]=4 70 B5R0.1 CC(Cl)CCO MCULE-1955496242 [0,0,0,0,0,0|0,1,2]=3 71 B5R0.1 CC(F)CCBr MCULE-3035340901 [0,0,0,0,0,0|1,1,2]=4 72 B5R0.1 CC(F)CCI MCULE-6469250150 [0,0,0,0,0,0|1,1,2]=4 73 B5R0.1 CC(F)CCN MCULE-2805813131 [0,0,0,0,0,0|1,1,2]=4 74 B5R0.1 CC(F)CCN MCULE-5849913362 [0,0,0,0,0,0|1,1,2]=4 75 B5R0.1 CC(N)CCN MCULE-5308134596 [0,0,0,0,0,0|2,0,2]=4 76 B5R0.1 CC(N)CCN MCULE-5880045507 [0,0,0,0,0,0|2,0,2]=4 77 B5R0.1 CC(N)CCN MCULE-7827515430 [0,0,0,0,0,0|2,0,2]=4 78 B5R0.1 CC(N)CCO MCULE-1771399942 [0,0,0,0,0,0|1,0,2]=3 79 B5R0.1 CC(N)CCO MCULE-7239872808 [0,0,0,0,0,0|1,0,2]=3 80 B5R0.1 CC(O)CCBr MCULE-7983169885 [0,0,0,0,0,0|2,0,2]=4 81 B5R0.1 CC(O)CCCl MCULE-2952545606 [0,0,0,0,0,0|2,0,2]=4 82 B5R0.1 CC(O)CCN MCULE-6836791276 [0,0,0,0,0,0|2,0,2]=4 83 B5R0.1 CC(O)CCN MCULE-7186260925 [0,0,0,0,0,0|2,0,2]=4 84 B5R0.1 CC(O)CCO MCULE-1694239851 [0,0,0,0,0,0|1,0,2]=3 85 B5R0.1 CC(O)CCO MCULE-7784884948 [0,0,0,0,0,0|1,0,2]=3 86 B5R0.1 CC(S)CCO MCULE-5702212503 [0,0,0,0,0,0|1,0,2]=3 87 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,0,0,0,0,0|2,0,2]=4 88 B5R0.1 CCC=C(F)F MCULE-5180612061 [0,0,0,0,0,0|2,1,1]=4 89 B5R0.1 CCCB(O)O MCULE-4994980798 [0,0,0,0,0,0|4,0,0]=4 90 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,0,0,0,0,0|3,0,0]=3 91 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,0,0,0,0,0|3,0,0]=3 92 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,0,0,0,0,0|2,0,1]=3 93 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,0,0,0,0,0|2,1,0]=3 94 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,0,0,0,0,0|3,0,0]=3 95 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,0,0,0,0,0|3,0,0]=3 96 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,0,0,0,0,0|3,0,0]=3 97 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,0,0,0,0,0|3,0,0]=3 98 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,0,0,0,0,0|3,0,0]=3 99 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,0,0,0,0,0|3,0,0]=3 100 B5R0.1 CCCC(C)Br MCULE-3178073667 [0,0,0,0,0,0|1,0,2]=3 101 B5R0.1 CCCC(C)C MCULE-9604552974 [0,0,0,0,0,0|2,0,2]=4 102 B5R0.1 CCCC(C)N MCULE-2640298430 [0,0,0,0,0,0|2,0,2]=4 103 B5R0.1 CCCC(C)N MCULE-7225905167 [0,0,0,0,0,0|2,0,2]=4 104 B5R0.1 CCCC(C)O MCULE-8205906299 [0,0,0,0,0,0|2,0,2]=4 105 B5R0.1 CCCC(C)S MCULE-1649095713 [0,0,0,0,0,0|2,0,2]=4 106 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,0,0,0,0,0|2,1,1]=4 107 B5R0.1 CCCN(=O)=O MCULE-5615753372 [0,0,0,0,0,0|4,0,0]=4 108 B5R0.1 CCCN(C)C MCULE-8702643596 [0,0,0,0,0,0|3,0,1]=4 109 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [0,0,0,0,0,0|4,0,0]=4 110 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [0,0,0,0,0,0|4,0,0]=4 111 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [0,0,0,0,0,0|2,0,2]=4 112 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [0,0,0,0,0,0|2,0,2]=4 113 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [0,0,0,0,0,0|2,0,2]=4 114 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [0,0,0,0,0,0|2,0,2]=4 115 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,0,0,0,0,0|2,0,2]=4 116 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [0,0,0,0,0,0|2,0,2]=4 117 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [0,0,0,0,0,0|2,0,2]=4 118 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [0,0,0,0,0,0|2,0,2]=4 119 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [0,0,0,0,0,0|2,0,2]=4 120 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,0,0,0,0,0|2,0,2]=4 121 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,0,0,0,0,0|4,0,0]=4 122 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,0,0,0,0,0|4,0,0]=4 123 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,0,0,0,0,0|3,0,1]=4 124 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,0,0,0,0,0|3,1,0]=4 125 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,0,0,0,0,0|4,0,0]=4 126 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,0,0,0,0,0|4,0,0]=4 127 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,0,0,0,0,0|3,0,1]=4 128 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,0,0,0,0,0|3,0,1]=4 129 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,0,0,0,0,0|4,0,0]=4 130 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,0,0,0,0,0|4,0,0]=4 131 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,0,0,0,0,0|3,0,1]=4 132 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,0,0,0,0,0|3,1,0]=4 133 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,0,0,0,0,0|4,0,0]=4 134 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,0,0,0,0,0|3,0,1]=4 135 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,0,0,0,0,0|4,0,0]=4 136 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [0,0,0,0,0,0|4,0,0]=4 137 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [0,0,0,0,0,0|4,0,0]=4 138 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [0,0,0,0,0,0|4,0,0]=4 139 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,0,0,0,0,0|4,0,0]=4 140 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,0,0,0,0,0|4,0,0]=4 141 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,0,0,0,0,0|3,0,1]=4 142 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,0,0,0,0,0|3,0,1]=4 143 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [0,0,0,0,0,0|4,0,0]=4 144 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [0,0,0,0,0,0|4,0,0]=4 145 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,0,0,0,0,0|4,0,0]=4 146 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,0,0,0,0,0|4,0,0]=4 147 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,0,0,0,0,0|4,0,0]=4 148 B5R0.1 CN(C)CCBr MCULE-4844398053 [0,0,0,0,0,0|3,0,1]=4 149 B5R0.1 CN(C)CCCl MCULE-4297554717 [0,0,0,0,0,0|3,0,1]=4 150 B5R0.1 CN(C)CCCl MCULE-4465544992 [0,0,0,0,0,0|3,0,1]=4 151 B5R0.1 CN(C)CCI MCULE-4687894526 [0,0,0,0,0,0|3,0,1]=4 152 B5R0.1 CN(C)CCI MCULE-7464680246 [0,0,0,0,0,0|3,0,1]=4 153 B5R0.1 CN(C)CCI MCULE-9051868668 [0,0,0,0,0,0|3,0,1]=4 154 B5R0.1 CN(C)CCN MCULE-6693759372 [0,0,0,0,0,0|3,0,1]=4 155 B5R0.1 CN(C)CCN MCULE-6929925748 [0,0,0,0,0,0|3,0,1]=4 156 B5R0.1 CN(C)CCN MCULE-7881547574 [0,0,0,0,0,0|3,0,1]=4 157 B5R0.1 CN(C)CCO MCULE-5715813465 [0,0,0,0,0,0|2,0,1]=3 158 B5R0.1 CN(C)CCO MCULE-7567469160 [0,0,0,0,0,0|2,0,1]=3 159 B5R0.1 CN(C)CCO MCULE-9024108074 [0,0,0,0,0,0|2,0,1]=3 160 B5R0.1 CN(C)CCS MCULE-4356815596 [0,0,0,0,0,0|2,1,1]=4 161 B5R0.1 CN(C)CCS MCULE-4611688723 [0,0,0,0,0,0|2,1,1]=4 162 B5R0.1 CN(C)CCS MCULE-6259585517 [0,0,0,0,0,0|2,1,1]=4 163 B5R0.1 CN(N)CCN MCULE-2782966878 [0,0,0,0,0,0|3,0,1]=4 164 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,0,0,0,0,0|3,0,1]=4 165 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,0,0,0,0,0|3,0,1]=4 166 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,0,0,0,0,0|4,0,0]=4 167 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,0,0,0,0,0|4,0,0]=4 168 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,0,0,0,0,0|4,0,0]=4 169 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,0,0,0,0,0|4,0,0]=4 170 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,0,0,0,0,0|4,0,0]=4 171 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,0,0,0,0,0|4,0,0]=4 172 B5R0.1 COCC(=N)N MCULE-4711728356 [0,0,0,0,0,0|4,0,0]=4 173 B5R0.1 COCC(=N)N MCULE-7163250467 [0,0,0,0,0,0|4,0,0]=4 174 B5R0.1 COCC(=O)C MCULE-7262197587 [0,0,0,0,0,0|3,0,1]=4 175 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,0,0,0,0,0|3,1,0]=4 176 B5R0.1 COCC(=O)N MCULE-6674958132 [0,0,0,0,0,0|4,0,0]=4 177 B5R0.1 COCC(=O)O MCULE-3945589151 [0,0,0,0,0,0|4,0,0]=4 178 B5R0.1 COCC(=S)N MCULE-2046809269 [0,0,0,0,0,0|4,0,0]=4 179 B5R0.1 COCC(C)Br MCULE-6850689931 [0,0,0,0,0,0|2,0,2]=4 180 B5R0.1 CS(=O)CCBr MCULE-7846126230 [0,0,0,0,0,0|3,0,1]=4 181 B5R0.1 CS(=O)CCCl MCULE-7012781505 [0,0,0,0,0,0|3,0,1]=4 182 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,0,0,0,0,0|3,0,1]=4 183 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,0,0,0,0,0|3,0,1]=4 184 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,0,0,0,0,0|3,0,1]=4 185 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,0,0,0,0,0|2,0,1]=3 186 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,0,0,0,0,0|4,0,0]=4 187 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,0,0,0,0,0|4,0,0]=4 188 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,0,0,0,0,0|3,0,1]=4 189 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,0,0,0,0,0|3,1,0]=4 190 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,0,0,0,0,0|4,0,0]=4 191 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,0,0,0,0,0|4,0,0]=4 192 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,0,0,0,0,0|4,0,0]=4 193 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,0,0,0,0,0|1,0,2]=3 194 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,0,0,0,0,0|1,0,2]=3 195 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,0,0,0,0,0|2,0,2]=4 196 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,0,0,0,0,0|2,0,2]=4 197 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,0,0,0,0,0|2,0,2]=4 198 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,0,0,0,0,0|2,0,2]=4 199 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [0,0,0,0,0,0|1,0,2]=3 200 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [0,0,0,0,0,0|1,0,2]=3 201 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,0,0,0,0,0|1,0,2]=3 202 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,0,0,0,0,0|1,0,2]=3 203 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,0,0,0,0,0|1,0,2]=3 204 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,0,0,0,0,0|1,0,2]=3 205 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,0,0,0,0,0|2,0,2]=4 206 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,0,0,0,0,0|2,0,2]=4 207 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [0,0,0,0,0,0|1,0,2]=3 208 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [0,0,0,0,0,0|1,0,2]=3 209 B5R0.1 C[NH+](C)CCBr MCULE-4990293495 [0,0,0,0,0,0|3,0,1]=4 210 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [0,0,0,0,0,0|3,0,1]=4 211 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [0,0,0,0,0,0|3,0,1]=4 212 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,0,0,0,0,0|2,0,1]=3 213 B5R0.1 ClC(=CCBr)Cl MCULE-5947456231 [0,0,0,0,0,0|2,1,1]=4 214 B5R0.1 ClCC=C(Cl)Cl MCULE-8294724084 [0,0,0,0,0,0|2,1,1]=4 215 B5R0.1 FC(=CCBr)F MCULE-1770710917 [0,0,0,0,0,0|2,1,1]=4 216 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [0,0,0,0,0,0|2,1,1]=4 217 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,0,0,0,0,0|3,0,1]=4 218 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,0,0,0,0,0|3,0,1]=4 219 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [0,0,0,0,0,0|3,0,1]=4 220 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [0,0,0,0,0,0|3,0,1]=4 221 B5R0.1 N#CCC(=S)N MCULE-6348216099 [0,0,0,0,0,0|3,0,1]=4 222 B5R0.1 N#CCC(=[Se])N MCULE-7730610345 [0,0,0,0,0,0|3,0,1]=4 223 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,0,0,0,0,0|3,0,0]=3 224 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,0,0,0,0,0|3,0,0]=3 225 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,0,0,0,0,0|2,0,0]=2 226 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,0,0,0,0,0|2,0,0]=2 227 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,0,0,0,0,0|3,0,1]=4 228 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,0,0,0,0,0|3,0,0]=3 229 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,0,0,0,0,0|3,0,0]=3 230 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,0,0,0,0,0|2,0,0]=2 231 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,0,0,0,0,0|2,1,0]=3 232 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,0,0,0,0,0|3,0,0]=3 233 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [0,0,0,0,0,0|2,1,1]=4 234 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [0,0,0,0,0,0|2,1,1]=4 235 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,0,0,0,0,0|2,1,0]=3 236 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,0,0,0,0,0|3,0,0]=3 237 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,0,0,0,0,0|3,0,0]=3 238 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,0,0,0,0,0|3,0,0]=3 239 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,0,0,0,0,0|3,0,0]=3 240 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,0,0,0,0,0|3,0,0]=3 241 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,0,0,0,0,0|3,0,0]=3 242 B5R0.1 NCCC(F)F MCULE-3610134573 [0,0,0,0,0,0|2,1,1]=4 243 B5R0.1 NCCC(F)F MCULE-5561095460 [0,0,0,0,0,0|2,1,1]=4 244 B5R0.1 NCCN(=O)=O MCULE-8137427440 [0,0,0,0,0,0|4,0,0]=4 245 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,0,0,0,0,0|4,0,0]=4 246 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,0,0,0,0,0|4,0,0]=4 247 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,0,0,0,0,0|4,0,0]=4 248 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,0,0,0,0,0|4,0,0]=4 249 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,0,0,0,0,0|4,0,0]=4 250 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,0,0,0,0,0|4,0,0]=4 251 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,0,0,0,0,0|4,0,0]=4 252 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,0,0,0,0,0|4,0,0]=4 253 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,0,0,0,0,0|4,0,0]=4 254 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,0,0,0,0,0|2,1,0]=3 255 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,0,0,0,0,0|2,1,0]=3 256 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,0,0,0,0,0|2,1,0]=3 257 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,0,0,0,0,0|3,1,0]=4 258 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,0,0,0,0,0|3,0,1]=4 259 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,0,0,0,0,0|3,0,1]=4 260 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,0,0,0,0,0|3,0,0]=3 261 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,0,0,0,0,0|3,0,0]=3 262 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,0,0,0,0,0|3,0,0]=3 263 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,0,0,0,0,0|3,0,0]=3 264 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,0,0,0,0,0|2,0,0]=2 265 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,0,0,0,0,0|2,1,0]=3 266 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,0,0,0,0,0|3,0,0]=3 267 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [0,0,0,0,0,0|2,0,2]=4 268 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [0,0,0,0,0,0|2,0,2]=4 269 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,0,0,0,0,0|2,0,0]=2 270 B5R0.1 O=N(=O)CCO MCULE-2060841405 [0,0,0,0,0,0|3,0,0]=3 271 B5R0.1 O=N(=O)CCS MCULE-4845430658 [0,0,0,0,0,0|3,1,0]=4 272 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [0,0,0,0,0,0|1,1,1]=3 273 B5R0.1 OCCC(F)F MCULE-9207688926 [0,0,0,0,0,0|1,1,1]=3 274 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,0,0,0,0,0|2,0,2]=4 275 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,0,0,0,0,0|2,0,2]=4 276 B4R0.1 BrC=C(Br)Br MCULE-9536958233 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.1 BrCC(Br)Br MCULE-1904439252 [1,0,0,0,0,0|2,0,1]=4 278 B4R0.1 C#CC(=C)C MCULE-6826835331 [1,0,0,0,0,0|1,0,2]=4 279 B4R0.1 C(C)(N)CO MCULE-5844242932 [1,0,0,0,0,0|1,0,2]=4 280 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,0,0,0,0,0|2,0,1]=4 281 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,0,0,0,0,0|2,0,1]=4 282 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,0,0,0,0|0,1,2]=4 283 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,0,0,0,0|0,0,2]=3 284 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,0,0,0,0|0,1,2]=4 285 B4R0.1 C=C(Br)C#N MCULE-6077746884 [1,0,0,0,0,0|1,0,1]=3 286 B4R0.1 C=C(Br)C=O MCULE-9500973388 [1,0,0,0,0,0|0,0,2]=3 287 B4R0.1 C=C(Br)CBr MCULE-1222617820 [1,0,0,0,0,0|1,0,0]=2 288 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,0,0,0,0|0,0,0]=1 289 B4R0.1 C=C(Br)CN MCULE-1170417597 [1,0,0,0,0,0|1,0,0]=2 290 B4R0.1 C=C(Br)CN MCULE-9190049156 [1,0,0,0,0,0|1,0,0]=2 291 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,0,0,0,0|0,0,0]=1 292 B4R0.1 C=C(C)C#N MCULE-9177849910 [1,0,0,0,0,0|2,0,1]=4 293 B4R0.1 C=C(C)C=O MCULE-3758355501 [1,0,0,0,0,0|1,0,2]=4 294 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,0,0,0,0|2,0,0]=3 295 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,0,0,0,0|2,0,0]=3 296 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,0,0,0,0|2,0,0]=3 297 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,0,0,0,0|2,0,0]=3 298 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,0,0,0,0|2,0,0]=3 299 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|1,0,0]=2 300 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,0,0,0,0|1,1,0]=3 301 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,0,0,0,0|2,0,0]=3 302 B4R0.1 C=C(Cl)C#N MCULE-8612604639 [1,0,0,0,0,0|1,1,1]=4 303 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [1,0,0,0,0,0|1,1,0]=3 304 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [1,0,0,0,0,0|1,1,0]=3 305 B4R0.1 C=C(Cl)CI MCULE-1908004565 [1,0,0,0,0,0|1,1,0]=3 306 B4R0.1 C=C(Cl)CN MCULE-2159410121 [1,0,0,0,0,0|1,1,0]=3 307 B4R0.1 C=C(Cl)CN MCULE-3454023553 [1,0,0,0,0,0|1,1,0]=3 308 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,0,0,0,0|0,1,0]=2 309 B4R0.1 C=C(F)CBr MCULE-6528430141 [1,0,0,0,0,0|1,1,0]=3 310 B4R0.1 C=C(F)CCl MCULE-4499400030 [1,0,0,0,0,0|1,1,0]=3 311 B4R0.1 C=C(F)CN MCULE-1603171858 [1,0,0,0,0,0|1,1,0]=3 312 B4R0.1 C=C(F)CN MCULE-3878727292 [1,0,0,0,0,0|1,1,0]=3 313 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,0,0,0,0|0,1,0]=2 314 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,0,0,0,0|0,1,0]=2 315 B4R0.1 C=CC(=C)C MCULE-1668999564 [1,0,0,0,0,0|1,0,2]=4 316 B4R0.1 CC(=NO)C MCULE-3243100216 [1,0,0,0,0,0|2,0,1]=4 317 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|2,0,1]=4 318 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|2,0,1]=4 319 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|2,0,1]=4 320 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|2,0,1]=4 321 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|2,0,1]=4 322 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|1,0,1]=3 323 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|1,1,1]=4 324 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|2,0,1]=4 325 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|2,0,1]=4 326 B4R0.1 CC(Br)CBr MCULE-6304574748 [1,0,0,0,0,0|1,0,2]=4 327 B4R0.1 CC(Br)CCl MCULE-8021380791 [1,0,0,0,0,0|1,0,2]=4 328 B4R0.1 CC(Br)CN MCULE-5214613046 [1,0,0,0,0,0|1,0,2]=4 329 B4R0.1 CC(Br)CN MCULE-6326218362 [1,0,0,0,0,0|1,0,2]=4 330 B4R0.1 CC(Br)CO MCULE-8344365003 [1,0,0,0,0,0|0,0,2]=3 331 B4R0.1 CC(C)CO MCULE-6294327194 [1,0,0,0,0,0|1,0,2]=4 332 B4R0.1 CC(Cl)CO MCULE-3857255988 [1,0,0,0,0,0|0,1,2]=4 333 B4R0.1 CC(Cl)CO MCULE-7538548427 [1,0,0,0,0,0|0,1,2]=4 334 B4R0.1 CC(F)CO MCULE-6006763378 [1,0,0,0,0,0|0,1,2]=4 335 B4R0.1 CC(N)CO MCULE-1361379423 [1,0,0,0,0,0|1,0,2]=4 336 B4R0.1 CC(N)CO MCULE-2098440985 [1,0,0,0,0,0|1,0,2]=4 337 B4R0.1 CC(O)CO MCULE-5574440784 [1,0,0,0,0,0|1,0,2]=4 338 B4R0.1 CC(O)CO MCULE-8743139013 [1,0,0,0,0,0|1,0,2]=4 339 B4R0.1 CC(S)CO MCULE-5090908062 [1,0,0,0,0,0|1,0,2]=4 340 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,0,0,0,0|0,0,2]=3 341 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,0,0,0,0|1,0,2]=4 342 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,0,0,0,0|0,1,2]=4 343 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [1,0,0,0,0,0|1,1,1]=4 344 B4R0.1 CC=C(F)F MCULE-5544510852 [1,0,0,0,0,0|1,1,1]=4 345 B4R0.1 CCB(O)O MCULE-1650960999 [1,0,0,0,0,0|3,0,0]=4 346 B4R0.1 CCC(=N)N MCULE-1856575742 [1,0,0,0,0,0|2,0,0]=3 347 B4R0.1 CCC(=N)N MCULE-2534386807 [1,0,0,0,0,0|2,0,0]=3 348 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|1,0,0]=2 349 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|1,0,1]=3 350 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|1,1,0]=3 351 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|1,1,0]=3 352 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|2,0,0]=3 353 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|2,0,0]=3 354 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|2,0,0]=3 355 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|2,0,0]=3 356 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|2,0,0]=3 357 B4R0.1 CCC(=S)N MCULE-3921479699 [1,0,0,0,0,0|2,0,0]=3 358 B4R0.1 CCC(C)Br MCULE-9661620259 [1,0,0,0,0,0|0,0,2]=3 359 B4R0.1 CCC(C)C MCULE-5376105936 [1,0,0,0,0,0|1,0,2]=4 360 B4R0.1 CCC(C)Cl MCULE-2954418486 [1,0,0,0,0,0|0,1,2]=4 361 B4R0.1 CCC(C)I MCULE-5239699587 [1,0,0,0,0,0|0,1,2]=4 362 B4R0.1 CCC(C)N MCULE-5041676035 [1,0,0,0,0,0|1,0,2]=4 363 B4R0.1 CCC(C)N MCULE-5835091553 [1,0,0,0,0,0|1,0,2]=4 364 B4R0.1 CCC(C)N MCULE-6631606230 [1,0,0,0,0,0|1,0,2]=4 365 B4R0.1 CCC(C)N MCULE-8165681721 [1,0,0,0,0,0|1,0,2]=4 366 B4R0.1 CCC(C)O MCULE-4099350806 [1,0,0,0,0,0|1,0,2]=4 367 B4R0.1 CCC(C)O MCULE-5005120003 [1,0,0,0,0,0|1,0,2]=4 368 B4R0.1 CCC(C)S MCULE-4988033753 [1,0,0,0,0,0|1,0,2]=4 369 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,0,0,0,0,0|3,0,0]=4 370 B4R0.1 CCN(C)C MCULE-5825033552 [1,0,0,0,0,0|2,0,1]=4 371 B4R0.1 CCN(C)N MCULE-2279492356 [1,0,0,0,0,0|2,0,1]=4 372 B4R0.1 CCN(C)N MCULE-5660338703 [1,0,0,0,0,0|2,0,1]=4 373 B4R0.1 CCN(C)N MCULE-9839987578 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|3,0,0]=4 376 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,0,0,0,0,0|3,0,0]=4 377 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,0,0,0,0,0|1,0,2]=4 378 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,0,0,0,0,0|1,0,2]=4 379 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,0,0,0,0,0|1,0,2]=4 380 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,0,0,0,0,0|1,0,2]=4 381 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,0,0,0,0,0|1,0,2]=4 382 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,0,0,0,0,0|1,0,2]=4 383 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,0,0,0,0,0|1,0,2]=4 384 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,0,0,0,0,0|1,0,2]=4 385 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,0,0,0,0,0|1,0,2]=4 386 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,0,0,0,0,0|1,0,2]=4 387 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,0,0,0,0,0|1,0,2]=4 388 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,0,0,0,0,0|1,0,2]=4 389 B4R0.1 CNC(=N)N MCULE-1074994749 [1,0,0,0,0,0|3,0,0]=4 390 B4R0.1 CNC(=N)N MCULE-6149731862 [1,0,0,0,0,0|3,0,0]=4 391 B4R0.1 CNC(=N)N MCULE-7667364021 [1,0,0,0,0,0|3,0,0]=4 392 B4R0.1 CNC(=N)N MCULE-7854448694 [1,0,0,0,0,0|3,0,0]=4 393 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,0,0,0,0|2,0,1]=4 394 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,0,0,0,0|2,1,0]=4 395 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,0,0,0,0|3,0,0]=4 396 B4R0.1 CNC(=S)C MCULE-8699171591 [1,0,0,0,0,0|2,0,1]=4 397 B4R0.1 CNC(=S)N MCULE-7103250725 [1,0,0,0,0,0|3,0,0]=4 398 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [1,0,0,0,0,0|3,0,0]=4 399 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [1,0,0,0,0,0|3,0,0]=4 400 B4R0.1 COC(=N)C MCULE-2752794913 [1,0,0,0,0,0|2,0,1]=4 401 B4R0.1 COC(=N)C MCULE-2904991083 [1,0,0,0,0,0|2,0,1]=4 402 B4R0.1 COC(=N)N MCULE-1611076737 [1,0,0,0,0,0|3,0,0]=4 403 B4R0.1 COC(=N)N MCULE-4923904579 [1,0,0,0,0,0|3,0,0]=4 404 B4R0.1 COC(=N)N MCULE-6696789855 [1,0,0,0,0,0|3,0,0]=4 405 B4R0.1 COC(=N)N MCULE-9171600210 [1,0,0,0,0,0|3,0,0]=4 406 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,0,0,0,0|2,0,1]=4 407 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,0,0,0,0|2,1,0]=4 408 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,0,0,0,0|3,0,0]=4 409 B4R0.1 COC(=S)N MCULE-9414558443 [1,0,0,0,0,0|3,0,0]=4 410 B4R0.1 COC(=S)[S-] MCULE-4829872223 [1,0,0,0,0,0|3,0,0]=4 411 B4R0.1 COC(=S)[S-] MCULE-6509496630 [1,0,0,0,0,0|3,0,0]=4 412 B4R0.1 CSC(=N)N MCULE-1471368384 [1,0,0,0,0,0|3,0,0]=4 413 B4R0.1 CSC(=N)N MCULE-3394284504 [1,0,0,0,0,0|3,0,0]=4 414 B4R0.1 CSC(=N)N MCULE-3752198299 [1,0,0,0,0,0|3,0,0]=4 415 B4R0.1 CSC(=N)N MCULE-5672446896 [1,0,0,0,0,0|3,0,0]=4 416 B4R0.1 CSC(=N)N MCULE-8409992127 [1,0,0,0,0,0|3,0,0]=4 417 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,0,0,0,0|2,0,1]=4 418 B4R0.1 CSC(=S)C MCULE-4836153374 [1,0,0,0,0,0|2,0,1]=4 419 B4R0.1 C[C@@H](Cl)CO MCULE-4834664531 [1,0,0,0,0,0|0,1,2]=4 420 B4R0.1 C[C@@H](Cl)CO MCULE-8797955903 [1,0,0,0,0,0|0,1,2]=4 421 B4R0.1 C[C@@H](F)CO MCULE-3312305972 [1,0,0,0,0,0|0,1,2]=4 422 B4R0.1 C[C@@H](F)CO MCULE-4754825872 [1,0,0,0,0,0|0,1,2]=4 423 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [1,0,0,0,0,0|1,0,2]=4 424 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [1,0,0,0,0,0|1,0,2]=4 425 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [1,0,0,0,0,0|1,0,2]=4 426 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [1,0,0,0,0,0|1,0,2]=4 427 B4R0.1 C[C@H](Cl)CO MCULE-6747279587 [1,0,0,0,0,0|0,1,2]=4 428 B4R0.1 C[C@H](Cl)CO MCULE-8509218918 [1,0,0,0,0,0|0,1,2]=4 429 B4R0.1 C[C@H](F)CO MCULE-1024261541 [1,0,0,0,0,0|0,1,2]=4 430 B4R0.1 C[C@H](F)CO MCULE-7028098137 [1,0,0,0,0,0|0,1,2]=4 431 B4R0.1 C[C@H](N)CO MCULE-2471107013 [1,0,0,0,0,0|1,0,2]=4 432 B4R0.1 C[C@H](N)CO MCULE-5424195678 [1,0,0,0,0,0|1,0,2]=4 433 B4R0.1 C[C@H](O)CO MCULE-6582852191 [1,0,0,0,0,0|1,0,2]=4 434 B4R0.1 C[C@H](O)CO MCULE-8074793296 [1,0,0,0,0,0|1,0,2]=4 435 B4R0.1 ClC(Br)CBr MCULE-4330156086 [1,0,0,0,0,0|2,0,1]=4 436 B4R0.1 FC(Br)CBr MCULE-2977436061 [1,0,0,0,0,0|2,0,1]=4 437 B4R0.1 FC=C(Br)Br MCULE-3150710627 [1,0,0,0,0,0|2,0,1]=4 438 B4R0.1 N=C(N)CCl MCULE-1495198330 [1,0,0,0,0,0|3,0,0]=4 439 B4R0.1 N=C(N)CCl MCULE-2087468158 [1,0,0,0,0,0|3,0,0]=4 440 B4R0.1 N=C(N)CF MCULE-4489534021 [1,0,0,0,0,0|3,0,0]=4 441 B4R0.1 N=C(N)CF MCULE-8858704396 [1,0,0,0,0,0|3,0,0]=4 442 B4R0.1 N=C(N)CN MCULE-2761790792 [1,0,0,0,0,0|3,0,0]=4 443 B4R0.1 N=C(N)CN MCULE-5131841850 [1,0,0,0,0,0|3,0,0]=4 444 B4R0.1 N=C(N)CN MCULE-6618111844 [1,0,0,0,0,0|3,0,0]=4 445 B4R0.1 N=C(N)CO MCULE-5146395919 [1,0,0,0,0,0|2,0,0]=3 446 B4R0.1 N=C(N)CO MCULE-8814507460 [1,0,0,0,0,0|2,0,0]=3 447 B4R0.1 N=C(N)NO MCULE-2554837832 [1,0,0,0,0,0|3,0,0]=4 448 B4R0.1 N=C(N)NO MCULE-5458374815 [1,0,0,0,0,0|3,0,0]=4 449 B4R0.1 N=C(N)NO MCULE-5913043834 [1,0,0,0,0,0|3,0,0]=4 450 B4R0.1 NC(=NO)N MCULE-7650923271 [1,0,0,0,0,0|3,0,0]=4 451 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|3,0,0]=4 452 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|3,0,0]=4 453 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|3,0,0]=4 454 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|3,0,0]=4 455 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|2,0,0]=3 456 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|2,1,0]=4 457 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,0,0,0,0|3,0,0]=4 458 B4R0.1 NC(=S)CF MCULE-7873791134 [1,0,0,0,0,0|3,0,0]=4 459 B4R0.1 NC(=S)CO MCULE-9301705313 [1,0,0,0,0,0|2,0,0]=3 460 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|3,0,0]=4 461 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|3,0,0]=4 462 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|3,0,0]=4 463 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|3,0,0]=4 464 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|3,0,0]=4 465 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|3,0,0]=4 466 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|3,0,0]=4 467 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|3,0,0]=4 468 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|3,0,0]=4 469 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|3,0,0]=4 470 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|2,0,0]=3 471 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|2,1,0]=4 472 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|2,1,0]=4 473 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|2,1,0]=4 474 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|2,1,0]=4 475 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|3,0,0]=4 476 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|3,0,0]=4 477 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|3,0,0]=4 478 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|3,0,0]=4 479 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|2,0,0]=3 480 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|2,1,0]=4 481 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|3,0,0]=4 482 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|2,0,0]=3 483 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|2,1,0]=4 484 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|2,1,0]=4 485 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,0,0,0,0|3,0,0]=4 486 B4R0.1 O=S([O-])CO MCULE-5211722344 [1,0,0,0,0,0|3,0,0]=4 487 B4R0.1 OCC(Cl)Cl MCULE-3279441180 [1,0,0,0,0,0|1,1,1]=4 488 B4R0.1 OCC(F)Br MCULE-5466660542 [1,0,0,0,0,0|1,0,1]=3 489 B4R0.1 OCC(F)F MCULE-3252378943 [1,0,0,0,0,0|1,1,1]=4 490 B4R0.1 ON=C(Br)Br MCULE-4053513648 [1,0,0,0,0,0|2,0,0]=3 491 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [1,0,0,0,0,0|1,0,2]=4 492 B4R0.2 BrC#CCBr MCULE-2798351684 [1,0,0,0,0,0|1,0,2]=4 493 B4R0.2 BrC=CCBr MCULE-1480697982 [1,0,0,0,0,0|1,0,1]=3 494 B4R0.2 BrCCCBr MCULE-6500110480 [1,0,0,0,0,0|1,0,1]=3 495 B4R0.2 BrCCCI MCULE-6470610840 [1,0,0,0,0,0|1,0,1]=3 496 B4R0.2 BrCOCBr MCULE-2371209322 [1,0,0,0,0,0|2,0,1]=4 497 B4R0.2 C#CCCBr MCULE-1495603480 [1,0,0,0,0,0|1,0,2]=4 498 B4R0.2 C#CCCC MCULE-1233806896 [1,0,0,0,0,0|1,0,2]=4 499 B4R0.2 C#CCCCl MCULE-5602517887 [1,0,0,0,0,0|1,0,2]=4 500 B4R0.2 C#CCCI MCULE-2832310719 [1,0,0,0,0,0|1,0,2]=4 501 B4R0.2 C#CCCN MCULE-1223656854 [1,0,0,0,0,0|1,0,2]=4 502 B4R0.2 C#CCCN MCULE-6408469965 [1,0,0,0,0,0|1,0,2]=4 503 B4R0.2 C#CCCO MCULE-1797559276 [1,0,0,0,0,0|0,0,2]=3 504 B4R0.2 C#CCCO MCULE-8743964065 [1,0,0,0,0,0|0,0,2]=3 505 B4R0.2 C#CCNO MCULE-7210831528 [1,0,0,0,0,0|1,0,2]=4 506 B4R0.2 C#CCNO MCULE-8082854360 [1,0,0,0,0,0|1,0,2]=4 507 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,0,0,0,0,0|1,0,2]=4 508 B4R0.2 C/C=C/CO MCULE-2383161163 [1,0,0,0,0,0|0,0,2]=3 509 B4R0.2 C/C=C\CO MCULE-5924662327 [1,0,0,0,0,0|0,0,2]=3 510 B4R0.2 C=C=CCC MCULE-6123315571 [1,0,0,0,0,0|1,0,2]=4 511 B4R0.2 C=C=CCN MCULE-5700871644 [1,0,0,0,0,0|1,0,2]=4 512 B4R0.2 C=C=CCN MCULE-9120483529 [1,0,0,0,0,0|1,0,2]=4 513 B4R0.2 C=C=CCO MCULE-5424851896 [1,0,0,0,0,0|0,0,2]=3 514 B4R0.2 C=CC=CC MCULE-4452516287 [1,0,0,0,0,0|1,0,2]=4 515 B4R0.2 C=CCC#N MCULE-2566589348 [1,0,0,0,0,0|1,0,1]=3 516 B4R0.2 C=CCCBr MCULE-2890129103 [1,0,0,0,0,0|1,0,0]=2 517 B4R0.2 C=CCCC MCULE-8386546337 [1,0,0,0,0,0|1,0,0]=2 518 B4R0.2 C=CCCCl MCULE-5903789900 [1,0,0,0,0,0|1,0,0]=2 519 B4R0.2 C=CCCI MCULE-1055671394 [1,0,0,0,0,0|1,0,0]=2 520 B4R0.2 C=CCCN MCULE-2471716627 [1,0,0,0,0,0|1,0,0]=2 521 B4R0.2 C=CCCN MCULE-2881108697 [1,0,0,0,0,0|1,0,0]=2 522 B4R0.2 C=CCCO MCULE-4582400839 [1,0,0,0,0,0|0,0,0]=1 523 B4R0.2 C=CCNC MCULE-3335720336 [1,0,0,0,0,0|2,0,0]=3 524 B4R0.2 C=CCNN MCULE-2550690274 [1,0,0,0,0,0|2,0,0]=3 525 B4R0.2 C=CCNN MCULE-3554567414 [1,0,0,0,0,0|2,0,0]=3 526 B4R0.2 C=CCNN MCULE-8741523989 [1,0,0,0,0,0|2,0,0]=3 527 B4R0.2 C=CCOC MCULE-3321225771 [1,0,0,0,0,0|2,0,0]=3 528 B4R0.2 C=CCON MCULE-2094787759 [1,0,0,0,0,0|2,0,0]=3 529 B4R0.2 C=CCON MCULE-6222602533 [1,0,0,0,0,0|2,0,0]=3 530 B4R0.2 C=CCSC MCULE-4452023915 [1,0,0,0,0,0|2,0,0]=3 531 B4R0.2 C=CNC=O MCULE-8403928899 [1,0,0,0,0,0|1,0,2]=4 532 B4R0.2 C=COCC MCULE-2569047033 [1,0,0,0,0,0|2,0,0]=3 533 B4R0.2 C=CSCC MCULE-8927374165 [1,0,0,0,0,0|2,0,0]=3 534 B4R0.2 C=C[Te]C=C MCULE-9095868234 [1,0,0,0,0,0|2,0,1]=4 535 B4R0.2 C=NCC#N MCULE-3686954074 [1,0,0,0,0,0|2,0,1]=4 536 B4R0.2 CC#CCO MCULE-5096552076 [1,0,0,0,0,0|0,0,3]=4 537 B4R0.2 CC=CCBr MCULE-7855581866 [1,0,0,0,0,0|1,0,2]=4 538 B4R0.2 CC=CCC MCULE-5931905453 [1,0,0,0,0,0|1,0,2]=4 539 B4R0.2 CC=CCCl MCULE-3941962217 [1,0,0,0,0,0|1,0,2]=4 540 B4R0.2 CC=CCO MCULE-7490725844 [1,0,0,0,0,0|0,0,2]=3 541 B4R0.2 CCC=CBr MCULE-4471551501 [1,0,0,0,0,0|1,0,1]=3 542 B4R0.2 CCCC#N MCULE-8571076087 [1,0,0,0,0,0|2,0,1]=4 543 B4R0.2 CCCC=O MCULE-8530391347 [1,0,0,0,0,0|2,0,0]=3 544 B4R0.2 CCCCBr MCULE-3390217131 [1,0,0,0,0,0|1,0,1]=3 545 B4R0.2 CCCCC MCULE-4643148765 [1,0,0,0,0,0|1,0,2]=4 546 B4R0.2 CCCCCl MCULE-5329900290 [1,0,0,0,0,0|1,0,2]=4 547 B4R0.2 CCCCF MCULE-7225760858 [1,0,0,0,0,0|1,0,2]=4 548 B4R0.2 CCCCI MCULE-1160974720 [1,0,0,0,0,0|1,0,2]=4 549 B4R0.2 CCCCN MCULE-1731874934 [1,0,0,0,0,0|1,0,2]=4 550 B4R0.2 CCCCN MCULE-4233278050 [1,0,0,0,0,0|1,0,2]=4 551 B4R0.2 CCCCN MCULE-5242069370 [1,0,0,0,0,0|1,0,2]=4 552 B4R0.2 CCCCN MCULE-7343835253 [1,0,0,0,0,0|1,0,2]=4 553 B4R0.2 CCCCO MCULE-1571156443 [1,0,0,0,0,0|0,0,2]=3 554 B4R0.2 CCCCS MCULE-9441213933 [1,0,0,0,0,0|0,1,2]=4 555 B4R0.2 CCCNC MCULE-2266616259 [1,0,0,0,0,0|2,0,1]=4 556 B4R0.2 CCCNC MCULE-7722796872 [1,0,0,0,0,0|2,0,1]=4 557 B4R0.2 CCCNN MCULE-4121438775 [1,0,0,0,0,0|3,0,0]=4 558 B4R0.2 CCCNN MCULE-5875592228 [1,0,0,0,0,0|3,0,0]=4 559 B4R0.2 CCCNN MCULE-9585694661 [1,0,0,0,0,0|3,0,0]=4 560 B4R0.2 CCCOC MCULE-5854067718 [1,0,0,0,0,0|2,0,1]=4 561 B4R0.2 CCCON MCULE-4800172637 [1,0,0,0,0,0|3,0,0]=4 562 B4R0.2 CCCON MCULE-7988781002 [1,0,0,0,0,0|3,0,0]=4 563 B4R0.2 CCCSC MCULE-8387041737 [1,0,0,0,0,0|2,0,1]=4 564 B4R0.2 CCNC=O MCULE-9309926274 [1,0,0,0,0,0|3,0,0]=4 565 B4R0.2 CCOC=N MCULE-5321655909 [1,0,0,0,0,0|3,0,0]=4 566 B4R0.2 CCOC=N MCULE-8158357614 [1,0,0,0,0,0|3,0,0]=4 567 B4R0.2 CCOC=O MCULE-6245072161 [1,0,0,0,0,0|3,0,0]=4 568 B4R0.2 CCOCBr MCULE-6644755987 [1,0,0,0,0,0|2,0,1]=4 569 B4R0.2 CNCCBr MCULE-3708780806 [1,0,0,0,0,0|2,0,1]=4 570 B4R0.2 CNCCBr MCULE-6840755559 [1,0,0,0,0,0|2,0,1]=4 571 B4R0.2 CNCCCl MCULE-1666345560 [1,0,0,0,0,0|2,0,1]=4 572 B4R0.2 CNCCCl MCULE-8215813413 [1,0,0,0,0,0|2,0,1]=4 573 B4R0.2 CNCCF MCULE-3719880423 [1,0,0,0,0,0|2,0,1]=4 574 B4R0.2 CNCCF MCULE-3751701745 [1,0,0,0,0,0|2,0,1]=4 575 B4R0.2 CNCCI MCULE-7026781832 [1,0,0,0,0,0|2,0,1]=4 576 B4R0.2 CNCCI MCULE-8892686580 [1,0,0,0,0,0|2,0,1]=4 577 B4R0.2 CNCCN MCULE-2881688448 [1,0,0,0,0,0|2,0,1]=4 578 B4R0.2 CNCCN MCULE-7199403269 [1,0,0,0,0,0|2,0,1]=4 579 B4R0.2 CNCCO MCULE-7051900771 [1,0,0,0,0,0|1,0,1]=3 580 B4R0.2 CNCCO MCULE-7934732981 [1,0,0,0,0,0|1,0,1]=3 581 B4R0.2 CNCCS MCULE-6430516369 [1,0,0,0,0,0|1,1,1]=4 582 B4R0.2 COCC=O MCULE-9427361019 [1,0,0,0,0,0|3,0,0]=4 583 B4R0.2 COCCBr MCULE-8316331262 [1,0,0,0,0,0|2,0,1]=4 584 B4R0.2 COCCCl MCULE-8886627413 [1,0,0,0,0,0|2,0,1]=4 585 B4R0.2 COCCI MCULE-9391124374 [1,0,0,0,0,0|2,0,1]=4 586 B4R0.2 COCCN MCULE-5051556646 [1,0,0,0,0,0|2,0,1]=4 587 B4R0.2 COCCN MCULE-7519068386 [1,0,0,0,0,0|2,0,1]=4 588 B4R0.2 COCCO MCULE-4751927883 [1,0,0,0,0,0|1,0,1]=3 589 B4R0.2 COCCS MCULE-7803276094 [1,0,0,0,0,0|1,1,1]=4 590 B4R0.2 CSCCBr MCULE-1684461541 [1,0,0,0,0,0|2,0,1]=4 591 B4R0.2 CSCCCl MCULE-8593103756 [1,0,0,0,0,0|2,0,1]=4 592 B4R0.2 CSCCN MCULE-5168245255 [1,0,0,0,0,0|2,0,1]=4 593 B4R0.2 CSCCN MCULE-6275285732 [1,0,0,0,0,0|2,0,1]=4 594 B4R0.2 CSCCO MCULE-9706874325 [1,0,0,0,0,0|1,0,1]=3 595 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [1,0,0,0,0,0|1,1,1]=4 596 B4R0.2 ClC/C=C/Br MCULE-1061414929 [1,0,0,0,0,0|1,0,1]=3 597 B4R0.2 ClC=CCCl MCULE-4655672652 [1,0,0,0,0,0|1,1,1]=4 598 B4R0.2 ClCCCBr MCULE-7937580875 [1,0,0,0,0,0|1,0,1]=3 599 B4R0.2 ClCCCCl MCULE-6693270397 [1,0,0,0,0,0|1,1,1]=4 600 B4R0.2 ClCCCI MCULE-1521526833 [1,0,0,0,0,0|1,1,1]=4 601 B4R0.2 FCCCBr MCULE-5674735753 [1,0,0,0,0,0|1,0,1]=3 602 B4R0.2 FCCCF MCULE-1803511350 [1,0,0,0,0,0|1,1,1]=4 603 B4R0.2 FCCCI MCULE-9287814857 [1,0,0,0,0,0|1,1,1]=4 604 B4R0.2 ICCCI MCULE-9849754168 [1,0,0,0,0,0|1,1,1]=4 605 B4R0.2 N#CCCBr MCULE-1744180602 [1,0,0,0,0,0|1,0,2]=4 606 B4R0.2 N#CCCCl MCULE-3511379481 [1,0,0,0,0,0|2,0,1]=4 607 B4R0.2 N#CCCI MCULE-1591942951 [1,0,0,0,0,0|2,0,1]=4 608 B4R0.2 N#CCCN MCULE-8482296338 [1,0,0,0,0,0|2,0,1]=4 609 B4R0.2 N#CCCN MCULE-9518086954 [1,0,0,0,0,0|2,0,1]=4 610 B4R0.2 N#CCCO MCULE-5098987368 [1,0,0,0,0,0|1,0,1]=3 611 B4R0.2 N#CCCS MCULE-7199964466 [1,0,0,0,0,0|1,1,1]=4 612 B4R0.2 N#CCNO MCULE-6808474875 [1,0,0,0,0,0|2,0,1]=4 613 B4R0.2 NCCCBr MCULE-5485748003 [1,0,0,0,0,0|1,0,1]=3 614 B4R0.2 NCCCBr MCULE-7072709972 [1,0,0,0,0,0|1,0,1]=3 615 B4R0.2 NCCCCl MCULE-1324157004 [1,0,0,0,0,0|1,1,1]=4 616 B4R0.2 NCCCCl MCULE-3667248190 [1,0,0,0,0,0|1,1,1]=4 617 B4R0.2 NCCCF MCULE-5215746973 [1,0,0,0,0,0|1,1,1]=4 618 B4R0.2 NCCCF MCULE-8077133369 [1,0,0,0,0,0|1,1,1]=4 619 B4R0.2 NCCCI MCULE-3534892097 [1,0,0,0,0,0|1,1,1]=4 620 B4R0.2 NCCCI MCULE-8010453546 [1,0,0,0,0,0|1,1,1]=4 621 B4R0.2 NCCCN MCULE-4293255820 [1,0,0,0,0,0|2,0,1]=4 622 B4R0.2 NCCCN MCULE-5041378433 [1,0,0,0,0,0|2,0,1]=4 623 B4R0.2 NCCCN MCULE-6944452060 [1,0,0,0,0,0|2,0,1]=4 624 B4R0.2 NCCCN MCULE-7375662153 [1,0,0,0,0,0|2,0,1]=4 625 B4R0.2 NCCCN MCULE-8277465929 [1,0,0,0,0,0|2,0,1]=4 626 B4R0.2 NCCCN MCULE-9929373126 [1,0,0,0,0,0|2,0,1]=4 627 B4R0.2 NCCCO MCULE-2851278356 [1,0,0,0,0,0|1,0,1]=3 628 B4R0.2 NCCCO MCULE-9698089092 [1,0,0,0,0,0|1,0,1]=3 629 B4R0.2 NCCCS MCULE-3994478020 [1,0,0,0,0,0|1,1,1]=4 630 B4R0.2 NCCCS MCULE-7730973866 [1,0,0,0,0,0|1,1,1]=4 631 B4R0.2 NCCON MCULE-3613980902 [1,0,0,0,0,0|3,0,0]=4 632 B4R0.2 NCCON MCULE-7030217952 [1,0,0,0,0,0|3,0,0]=4 633 B4R0.2 NCCON MCULE-8959912781 [1,0,0,0,0,0|3,0,0]=4 634 B4R0.2 NNCCF MCULE-2712460031 [1,0,0,0,0,0|3,0,0]=4 635 B4R0.2 NNCCF MCULE-8505927457 [1,0,0,0,0,0|3,0,0]=4 636 B4R0.2 NNCCO MCULE-1290652744 [1,0,0,0,0,0|2,0,0]=3 637 B4R0.2 NOCCBr MCULE-2796346082 [1,0,0,0,0,0|2,0,1]=4 638 B4R0.2 NOCCBr MCULE-5636354898 [1,0,0,0,0,0|2,0,1]=4 639 B4R0.2 NOCCCl MCULE-5981688956 [1,0,0,0,0,0|3,0,0]=4 640 B4R0.2 NOCCF MCULE-1813481600 [1,0,0,0,0,0|3,0,0]=4 641 B4R0.2 NOCCF MCULE-2993254805 [1,0,0,0,0,0|3,0,0]=4 642 B4R0.2 NOCCO MCULE-2545004367 [1,0,0,0,0,0|2,0,0]=3 643 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,0,0,0,0|2,0,0]=3 644 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,0,0,0,0|2,0,0]=3 645 B4R0.2 O=CCCI MCULE-9771140462 [1,0,0,0,0,0|2,0,0]=3 646 B4R0.2 O=CCCO MCULE-1685289763 [1,0,0,0,0,0|1,0,0]=2 647 B4R0.2 OC=CCCl MCULE-4750991393 [1,0,0,0,0,0|2,0,1]=4 648 B4R0.2 OCC#CBr MCULE-2495653455 [1,0,0,0,0,0|0,0,2]=3 649 B4R0.2 OCC#CI MCULE-1101149708 [1,0,0,0,0,0|0,1,2]=4 650 B4R0.2 OCC=CBr MCULE-4636104289 [1,0,0,0,0,0|0,0,1]=2 651 B4R0.2 OCC=CCl MCULE-2110127594 [1,0,0,0,0,0|0,1,1]=3 652 B4R0.2 OCCCBr MCULE-3450011527 [1,0,0,0,0,0|0,0,1]=2 653 B4R0.2 OCCCCl MCULE-2319230957 [1,0,0,0,0,0|0,1,1]=3 654 B4R0.2 OCCCF MCULE-2347934403 [1,0,0,0,0,0|0,1,1]=3 655 B4R0.2 OCCCI MCULE-5200713967 [1,0,0,0,0,0|0,1,1]=3 656 B4R0.2 OCCCO MCULE-5166824786 [1,0,0,0,0,0|1,0,1]=3 657 B4R0.2 OCCCS MCULE-7930164048 [1,0,0,0,0,0|1,0,1]=3 658 B4R0.2 PCCCP MCULE-6048146071 [1,0,0,0,0,0|2,0,1]=4 659 B4R0.2 SCCCBr MCULE-4627341228 [1,0,0,0,0,0|0,1,1]=3 660 B4R0.2 SCCCCl MCULE-6410389127 [1,0,0,0,0,0|0,2,1]=4 661 B4R0.2 SCCCS MCULE-8220630729 [1,0,0,0,0,0|1,1,1]=4 662 B6R0.1 C#C/C(=C\CO)/C MCULE-5643545939 [0,1,0,0,0,0|1,0,2]=4 663 B6R0.1 C#CC(=CCO)C MCULE-7063837718 [0,1,0,0,0,0|1,0,2]=4 664 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,1,0,0,0,0|2,0,1]=4 665 B6R0.1 C=C(CC)CCO MCULE-5317656776 [0,1,0,0,0,0|1,0,0]=2 666 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,1,0,0,0,0|2,0,0]=3 667 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,1,0,0,0,0|3,0,0]=4 668 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,1,0,0,0,0|3,0,0]=4 669 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [0,1,0,0,0,0|2,0,0]=3 670 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,1,0,0,0,0|3,0,0]=4 671 B6R0.1 C=CC(C)CCC MCULE-2692803387 [0,1,0,0,0,0|2,0,1]=4 672 B6R0.1 C=CC(C)CCO MCULE-2890369298 [0,1,0,0,0,0|1,0,1]=3 673 B6R0.1 C=CC(N)CCO MCULE-7781906138 [0,1,0,0,0,0|1,0,1]=3 674 B6R0.1 C=CC(O)CCC MCULE-3664453040 [0,1,0,0,0,0|2,0,1]=4 675 B6R0.1 C=CC(O)CCN MCULE-9346205308 [0,1,0,0,0,0|2,0,1]=4 676 B6R0.1 CC(=CCBr)CBr MCULE-6875050264 [0,1,0,0,0,0|1,0,2]=4 677 B6R0.1 CC(CN)CCO MCULE-5515163518 [0,1,0,0,0,0|1,0,2]=4 678 B6R0.1 CC(CO)CCO MCULE-5240961149 [0,1,0,0,0,0|1,0,2]=4 679 B6R0.1 CC(CO)CCO MCULE-8678967805 [0,1,0,0,0,0|1,0,2]=4 680 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,1,0,0,0,0|2,0,1]=4 681 B6R0.1 CCC(=CCO)C MCULE-5264054153 [0,1,0,0,0,0|1,0,2]=4 682 B6R0.1 CCC(C)CCO MCULE-6482427735 [0,1,0,0,0,0|1,0,2]=4 683 B6R0.1 CCC(N)CCO MCULE-1511155206 [0,1,0,0,0,0|1,0,2]=4 684 B6R0.1 CCC(N)CCO MCULE-5525302643 [0,1,0,0,0,0|1,0,2]=4 685 B6R0.1 CCC(O)CCO MCULE-5156075792 [0,1,0,0,0,0|1,0,2]=4 686 B6R0.1 CCC(S)CCO MCULE-4193788852 [0,1,0,0,0,0|1,0,2]=4 687 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,1,0,0,0,0|3,0,0]=4 688 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,1,0,0,0,0|3,0,0]=4 689 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,1,0,0,0,0|2,0,1]=4 690 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,1,0,0,0,0|2,0,1]=4 691 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,1,0,0,0,0|2,0,0]=3 692 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,1,0,0,0,0|2,0,1]=4 693 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,1,0,0,0,0|2,0,1]=4 694 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,1,0,0,0,0|2,0,1]=4 695 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,1,0,0,0,0|2,0,1]=4 696 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,1,0,0,0,0|2,0,1]=4 697 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,1,0,0,0,0|2,0,1]=4 698 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,1,0,0,0,0|3,0,0]=4 699 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,1,0,0,0,0|3,0,0]=4 700 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,1,0,0,0,0|2,0,1]=4 701 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,1,0,0,0,0|2,0,1]=4 702 B6R0.1 CCCC(=S)OC MCULE-8125476093 [0,1,0,0,0,0|2,0,1]=4 703 B6R0.1 CCCC(Br)CC MCULE-9116433502 [0,1,0,0,0,0|1,0,2]=4 704 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,1,0,0,0,0|2,0,1]=4 705 B6R0.1 CCCC(C)CBr MCULE-3437352091 [0,1,0,0,0,0|1,0,2]=4 706 B6R0.1 CCCC(O)CBr MCULE-5186252424 [0,1,0,0,0,0|2,0,1]=4 707 B6R0.1 CCN(C)CCO MCULE-5519271145 [0,1,0,0,0,0|2,0,1]=4 708 B6R0.1 CCN(N)CCO MCULE-7988723724 [0,1,0,0,0,0|2,0,1]=4 709 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,1,0,0,0,0|3,0,0]=4 710 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,1,0,0,0,0|3,0,0]=4 711 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,1,0,0,0,0|3,0,0]=4 712 B6R0.1 CCS(=O)CCO MCULE-8290368918 [0,1,0,0,0,0|2,0,1]=4 713 B6R0.1 CC[C@H](C)CCO MCULE-1190203828 [0,1,0,0,0,0|1,0,2]=4 714 B6R0.1 CC[C@H](C)CCO MCULE-8460710173 [0,1,0,0,0,0|1,0,2]=4 715 B6R0.1 CN(C=O)CCO MCULE-3588371476 [0,1,0,0,0,0|2,0,0]=3 716 B6R0.1 CN(CCO)N=O MCULE-3975606321 [0,1,0,0,0,0|2,0,1]=4 717 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,1,0,0,0,0|2,0,1]=4 718 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,1,0,0,0,0|2,0,1]=4 719 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,1,0,0,0,0|2,0,1]=4 720 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,1,0,0,0,0|2,0,1]=4 721 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,1,0,0,0,0|1,0,1]=3 722 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,1,0,0,0,0|1,1,1]=4 723 B6R0.1 CNC(=S)NCO MCULE-2829573844 [0,1,0,0,0,0|2,0,1]=4 724 B6R0.1 CNC(C)CCO MCULE-4722422254 [0,1,0,0,0,0|1,0,2]=4 725 B6R0.1 COC(=N)CCCl MCULE-1997539408 [0,1,0,0,0,0|2,0,1]=4 726 B6R0.1 COC(=N)CCCl MCULE-2235564076 [0,1,0,0,0,0|2,0,1]=4 727 B6R0.1 COC(=N)CCO MCULE-1904978557 [0,1,0,0,0,0|1,0,1]=3 728 B6R0.1 COC(=N)CCO MCULE-8146089973 [0,1,0,0,0,0|1,0,1]=3 729 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,1,0,0,0,0|2,0,1]=4 730 B6R0.1 COC(=O)CCCl MCULE-5034007224 [0,1,0,0,0,0|2,0,1]=4 731 B6R0.1 COC(=O)CCI MCULE-5984806612 [0,1,0,0,0,0|2,0,1]=4 732 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,1,0,0,0,0|2,0,1]=4 733 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,1,0,0,0,0|2,0,1]=4 734 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,1,0,0,0,0|1,0,1]=3 735 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,1,0,0,0,0|1,1,1]=4 736 B6R0.1 COC(C)CCO MCULE-7396381165 [0,1,0,0,0,0|1,0,2]=4 737 B6R0.1 CSC(C)CCO MCULE-4317600086 [0,1,0,0,0,0|1,0,2]=4 738 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [0,1,0,0,0,0|1,0,2]=4 739 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [0,1,0,0,0,0|1,0,2]=4 740 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [0,1,0,0,0,0|1,0,2]=4 741 B6R0.1 FC(CBr)CCBr MCULE-2311323533 [0,1,0,0,0,0|2,0,1]=4 742 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,1,0,0,0,0|2,0,0]=3 743 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [0,1,0,0,0,0|3,0,0]=4 744 B6R0.1 NC(CO)CCO MCULE-3703088648 [0,1,0,0,0,0|1,0,2]=4 745 B6R0.1 NC(CO)CCO MCULE-7609576462 [0,1,0,0,0,0|1,0,2]=4 746 B6R0.1 NCC(N)CCO MCULE-2965554481 [0,1,0,0,0,0|1,0,2]=4 747 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [0,1,0,0,0,0|3,0,0]=4 748 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,1,0,0,0,0|2,0,1]=4 749 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,1,0,0,0,0|2,0,1]=4 750 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,1,0,0,0,0|2,0,0]=3 751 B6R0.1 NNC(=O)CCS MCULE-9322963076 [0,1,0,0,0,0|2,1,0]=4 752 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [0,1,0,0,0,0|1,0,2]=4 753 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [0,1,0,0,0,0|1,0,2]=4 754 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [0,1,0,0,0,0|1,0,2]=4 755 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [0,1,0,0,0,0|1,0,2]=4 756 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,1,0,0,0,0|3,0,0]=4 757 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [0,1,0,0,0,0|2,0,1]=4 758 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,1,0,0,0,0|2,0,1]=4 759 B6R0.1 OC(CBr)CCBr MCULE-5156583342 [0,1,0,0,0,0|2,0,1]=4 760 B6R0.1 OCCC(O)CCl MCULE-4752952606 [0,1,0,0,0,0|1,0,2]=4 761 B6R0.1 OCCC(O)CO MCULE-6470178852 [0,1,0,0,0,0|1,0,2]=4 762 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [0,1,0,0,0,0|0,0,2]=3 763 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [0,1,0,0,0,0|1,0,2]=4 764 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [0,1,0,0,0,0|1,0,2]=4 765 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [0,1,0,0,0,0|1,0,1]=3 766 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [0,1,0,0,0,0|1,0,2]=4 767 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [0,1,0,0,0,0|1,0,2]=4 768 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [0,1,0,0,0,0|1,0,2]=4 769 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [0,1,0,0,0,0|1,0,2]=4 770 B6R0.1 O[C@@H](CBr)CCBr MCULE-2137750043 [0,1,0,0,0,0|2,0,1]=4 771 B6R0.1 O[C@H](CBr)CCBr MCULE-2647046297 [0,1,0,0,0,0|2,0,1]=4 772 B6R0.1 O[C@H](CBr)CCBr MCULE-5662911918 [0,1,0,0,0,0|2,0,1]=4 773 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,1,0,0,0,0|1,0,2]=4 774 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,1,0,0,0,0|1,0,1]=3 775 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,1,0,0,0,0|2,0,0]=3 776 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,1,0,0,0,0|1,0,0]=2 777 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,1,0,0,0,0|1,0,0]=2 778 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,1,0,0,0,0|0,1,1]=3 779 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,1,0,0,0,0|1,0,2]=4 780 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,1,0,0,0,0|1,0,2]=4 781 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,1,0,0,0,0|2,0,1]=4 782 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,1,0,0,0,0|2,0,1]=4 783 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,1,0,0,0,0|2,0,1]=4 784 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,1,0,0,0,0|1,0,1]=3 785 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,1,0,0,0,0|2,0,1]=4 786 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,1,0,0,0,0|2,0,1]=4 787 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,1,0,0,0,0|0,0,3]=4 788 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,1,0,0,0,0|3,0,0]=4 789 B6R0.2 CC(Br)CC(C)Br MCULE-1139583334 [0,1,0,0,0,0|1,0,2]=4 790 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,1,0,0,0,0|3,0,0]=4 791 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,1,0,0,0,0|3,0,0]=4 792 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,1,0,0,0,0|3,0,0]=4 793 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,1,0,0,0,0|2,1,0]=4 794 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,1,0,0,0,0|3,0,0]=4 795 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,1,0,0,0,0|3,0,0]=4 796 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,1,0,0,0,0|3,0,0]=4 797 B6R0.2 CC(C)CC(C)Br MCULE-1549882864 [0,1,0,0,0,0|1,0,2]=4 798 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,1,0,0,0,0|1,0,2]=4 799 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,1,0,0,0,0|1,0,2]=4 800 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,1,0,0,0,0|1,0,2]=4 801 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,1,0,0,0,0|2,1,0]=4 802 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,1,0,0,0,0|3,0,0]=4 803 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,1,0,0,0,0|3,0,0]=4 804 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,1,0,0,0,0|3,0,0]=4 805 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,1,0,0,0,0|3,0,0]=4 806 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,1,0,0,0,0|3,0,0]=4 807 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,1,0,0,0,0|3,0,0]=4 808 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,1,0,0,0,0|3,0,0]=4 809 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,1,0,0,0,0|3,0,0]=4 810 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,1,0,0,0,0|1,0,2]=4 811 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,1,0,0,0,0|2,0,0]=3 812 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,1,0,0,0,0|2,0,0]=3 813 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,1,0,0,0,0|2,0,0]=3 814 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,1,0,0,0,0|2,0,0]=3 815 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,1,0,0,0,0|2,0,0]=3 816 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,1,0,0,0,0|1,0,2]=4 817 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,1,0,0,0,0|3,0,0]=4 818 B6R0.2 CC(O)CN(C)C MCULE-6531222530 [0,1,0,0,0,0|2,0,1]=4 819 B6R0.2 CC(O)CN(C)C MCULE-7127620454 [0,1,0,0,0,0|2,0,1]=4 820 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,1,0,0,0,0|2,0,1]=4 821 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,1,0,0,0,0|2,0,1]=4 822 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,1,0,0,0,0|3,0,0]=4 823 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,1,0,0,0,0|3,0,0]=4 824 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,1,0,0,0,0|3,0,0]=4 825 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,1,0,0,0,0|3,0,0]=4 826 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,1,0,0,0,0|2,0,0]=3 827 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,1,0,0,0,0|2,0,0]=3 828 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,1,0,0,0,0|2,0,0]=3 829 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,1,0,0,0,0|2,0,0]=3 830 B6R0.2 C[C@@H](O)CN(C)C MCULE-3114172439 [0,1,0,0,0,0|2,0,1]=4 831 B6R0.2 C[C@@H](O)CN(C)C MCULE-9927679143 [0,1,0,0,0,0|2,0,1]=4 832 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,1,0,0,0,0|1,0,2]=4 833 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,1,0,0,0,0|1,0,2]=4 834 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,1,0,0,0,0|1,0,2]=4 835 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,1,0,0,0,0|0,0,3]=4 836 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,1,0,0,0,0|0,0,3]=4 837 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,1,0,0,0,0|3,0,0]=4 838 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,1,0,0,0,0|3,0,0]=4 839 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,1,0,0,0,0|3,0,0]=4 840 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,1,0,0,0,0|3,0,0]=4 841 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,1,0,0,0,0|2,0,0]=3 842 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,1,0,0,0,0|2,0,0]=3 843 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,1,0,0,0,0|2,0,0]=3 844 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,1,0,0,0,0|2,0,0]=3 845 B6R0.2 C[C@H](O)CN(C)C MCULE-4542650002 [0,1,0,0,0,0|2,0,1]=4 846 B6R0.2 C[C@H](O)CN(C)C MCULE-4717676519 [0,1,0,0,0,0|2,0,1]=4 847 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,1,0,0,0,0|1,0,2]=4 848 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,1,0,0,0,0|1,0,2]=4 849 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,1,0,0,0,0|2,0,1]=4 850 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,1,0,0,0,0|3,0,0]=4 851 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,1,0,0,0,0|3,0,0]=4 852 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,1,0,0,0,0|1,0,2]=4 853 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,1,0,0,0,0|3,0,0]=4 854 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,1,0,0,0,0|2,0,1]=4 855 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,1,0,0,0,0|3,0,0]=4 856 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,0,0,0,0|2,0,0]=3 857 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,0,0,0,0|2,0,0]=3 858 B6R0.3 C=C(Br)C(=O)OC MCULE-6192595524 [0,1,0,0,0,0|2,0,1]=4 859 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,1,0,0,0,0|2,0,0]=3 860 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,0,0,0,0|2,0,1]=4 861 B6R0.3 C=C(I)C(C)CI MCULE-8558127481 [0,1,0,0,0,0|1,1,0]=3 862 B6R0.3 C=C(I)[C@H](C)CI MCULE-1089285398 [0,1,0,0,0,0|1,1,0]=3 863 B6R0.3 C=C(I)[C@H](C)CI MCULE-5444456468 [0,1,0,0,0,0|1,1,0]=3 864 B6R0.3 CC(=C(C)CO)C MCULE-2852322197 [0,1,0,0,0,0|1,0,2]=4 865 B6R0.3 CC(=C(F)CO)C MCULE-3552996593 [0,1,0,0,0,0|1,0,2]=4 866 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,1,0,0,0,0|1,0,1]=3 867 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,0,0,0,0|1,0,1]=3 868 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,0,0,0,0|1,0,1]=3 869 B6R0.3 CC(C)C(C)CO MCULE-7008552664 [0,1,0,0,0,0|1,0,2]=4 870 B6R0.3 CC(C)C(N)CO MCULE-2361921763 [0,1,0,0,0,0|1,0,2]=4 871 B6R0.3 CC(C)C(N)CO MCULE-2989454077 [0,1,0,0,0,0|1,0,2]=4 872 B6R0.3 CC(C)C(N)CO MCULE-9793548365 [0,1,0,0,0,0|1,0,2]=4 873 B6R0.3 CC(C)C(O)CO MCULE-6069815474 [0,1,0,0,0,0|1,0,2]=4 874 B6R0.3 CC(C)C(S)CO MCULE-1903780493 [0,1,0,0,0,0|1,0,2]=4 875 B6R0.3 CC(C)[C@@H](C)CO MCULE-4943691177 [0,1,0,0,0,0|1,0,2]=4 876 B6R0.3 CC(C)[C@@H](C)CO MCULE-6583781047 [0,1,0,0,0,0|1,0,2]=4 877 B6R0.3 CC(C)[C@@H](N)CO MCULE-1135743088 [0,1,0,0,0,0|1,0,2]=4 878 B6R0.3 CC(C)[C@@H](N)CO MCULE-3994511291 [0,1,0,0,0,0|1,0,2]=4 879 B6R0.3 CC(C)[C@H](C)CO MCULE-9527582465 [0,1,0,0,0,0|1,0,2]=4 880 B6R0.3 CC(C)[C@H](N)CO MCULE-2625936994 [0,1,0,0,0,0|1,0,2]=4 881 B6R0.3 CC(C)[C@H](N)CO MCULE-3229973889 [0,1,0,0,0,0|1,0,2]=4 882 B6R0.3 CC(C)[C@H](N)CO MCULE-6090001117 [0,1,0,0,0,0|1,0,2]=4 883 B6R0.3 CC(C)[C@H](N)CO MCULE-8284816696 [0,1,0,0,0,0|1,0,2]=4 884 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,0,0,0,0|3,0,0]=4 885 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,0,0,0,0|3,0,0]=4 886 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,0,0,0,0|3,0,0]=4 887 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,0,0,0,0|3,0,0]=4 888 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,0,0,0,0|2,0,0]=3 889 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,1,0,0,0,0|2,0,0]=3 890 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,1,0,0,0,0|3,0,0]=4 891 B6R0.3 CC(CO)N(C)C MCULE-7300076854 [0,1,0,0,0,0|2,0,1]=4 892 B6R0.3 CC(CO)N(C)N MCULE-8306784573 [0,1,0,0,0,0|2,0,1]=4 893 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,0,0,0,0|2,1,0]=4 894 B6R0.3 CC(N)C(C)CO MCULE-8179225289 [0,1,0,0,0,0|1,0,2]=4 895 B6R0.3 CC(N)C(O)CO MCULE-8191126136 [0,1,0,0,0,0|1,0,2]=4 896 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [0,1,0,0,0,0|1,0,2]=4 897 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,1,0,0,0,0|1,0,2]=4 898 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [0,1,0,0,0,0|1,0,2]=4 899 B6R0.3 CC(S)C(C)CO MCULE-5435813701 [0,1,0,0,0,0|1,0,2]=4 900 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,1,0,0,0,0|2,0,0]=3 901 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,1,0,0,0,0|2,0,1]=4 902 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,1,0,0,0,0|2,1,0]=4 903 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,1,0,0,0,0|3,0,0]=4 904 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|3,0,0]=4 905 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,1,0,0,0,0|3,0,0]=4 906 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,1,0,0,0,0|3,0,0]=4 907 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,1,0,0,0,0|2,0,1]=4 908 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,1,0,0,0,0|2,1,0]=4 909 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,1,0,0,0,0|3,0,0]=4 910 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|3,0,0]=4 911 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|3,0,0]=4 912 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,1,0,0,0,0|3,0,0]=4 913 B6R0.3 CCC(C)C(C)Br MCULE-5368409335 [0,1,0,0,0,0|1,0,2]=4 914 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,1,0,0,0,0|2,1,0]=4 915 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,1,0,0,0,0|3,0,0]=4 916 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|3,0,0]=4 917 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|3,0,0]=4 918 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,0,0,0,0|3,0,0]=4 919 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,0,0,0,0|3,0,0]=4 920 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,0,0,0,0|3,0,0]=4 921 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,0,0,0,0|3,0,0]=4 922 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|3,0,0]=4 923 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|3,0,0]=4 924 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|3,0,0]=4 925 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|3,0,0]=4 926 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|3,0,0]=4 927 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|3,0,0]=4 928 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|3,0,0]=4 929 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,0,0,0,0|3,0,0]=4 930 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,0,0,0,0|3,0,0]=4 931 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,1,0,0,0,0|2,0,1]=4 932 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|3,0,0]=4 933 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|3,0,0]=4 934 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|3,0,0]=4 935 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,1,0,0,0,0|3,0,0]=4 936 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,1,0,0,0,0|3,0,0]=4 937 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|3,0,0]=4 938 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|3,0,0]=4 939 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|3,0,0]=4 940 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|3,0,0]=4 941 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,0,0,0,0|3,0,0]=4 942 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,0,0,0,0|3,0,0]=4 943 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,0,0,0,0|3,0,0]=4 944 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,0,0,0,0|3,0,0]=4 945 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|3,0,0]=4 946 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|3,0,0]=4 947 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|3,0,0]=4 948 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|3,0,0]=4 949 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|3,0,0]=4 950 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|3,0,0]=4 951 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|3,0,0]=4 952 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|3,0,0]=4 953 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|3,0,0]=4 954 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|3,0,0]=4 955 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|3,0,0]=4 956 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,0,0,0,0|3,0,0]=4 957 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,0,0,0,0|3,0,0]=4 958 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,0,0,0,0|3,0,0]=4 959 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,0,0,0,0|3,0,0]=4 960 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|3,0,0]=4 961 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|3,0,0]=4 962 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|3,0,0]=4 963 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|3,0,0]=4 964 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,0,0,0,0|3,0,0]=4 965 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,0,0,0,0|3,0,0]=4 966 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|3,0,0]=4 967 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|3,0,0]=4 968 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,0,0,0,0|3,0,0]=4 969 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,0,0,0,0|3,0,0]=4 970 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,0,0,0,0|3,0,0]=4 971 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,0,0,0,0|3,0,0]=4 972 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,0,0,0,0|3,0,0]=4 973 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,0,0,0,0|2,0,0]=3 974 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,0,0,0,0|2,0,0]=3 975 B6R0.3 C[C@@H](CO)N(C)C MCULE-4388248602 [0,1,0,0,0,0|2,0,1]=4 976 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,1,0,0,0,0|1,0,2]=4 977 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,1,0,0,0,0|1,0,2]=4 978 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,1,0,0,0,0|1,0,2]=4 979 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,1,0,0,0,0|1,0,2]=4 980 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,1,0,0,0,0|1,0,2]=4 981 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,1,0,0,0,0|1,0,2]=4 982 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,0,0,0,0|3,0,0]=4 983 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,0,0,0,0|3,0,0]=4 984 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,0,0,0,0|3,0,0]=4 985 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,0,0,0,0|3,0,0]=4 986 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,0,0,0,0|2,0,0]=3 987 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,0,0,0,0|2,0,0]=3 988 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,1,0,0,0,0|2,0,0]=3 989 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,1,0,0,0,0|1,0,2]=4 990 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,1,0,0,0,0|1,0,2]=4 991 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,1,0,0,0,0|1,0,2]=4 992 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,1,0,0,0,0|1,0,2]=4 993 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,1,0,0,0,0|1,0,2]=4 994 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,1,0,0,0,0|3,0,0]=4 995 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,1,0,0,0,0|3,0,0]=4 996 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,0,0,0,0|2,0,0]=3 997 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,0,0,0,0|2,0,0]=3 998 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,1,0,0,0,0|2,1,0]=4 999 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,1,0,0,0,0|2,1,0]=4 1000 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,0,0,0,0|2,0,0]=3 1001 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,0,0,0,0|2,0,0]=3 1002 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,0,0,0,0|2,0,0]=3 1003 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,1,0,0,0,0|2,1,0]=4 1004 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,0,0,0,0|2,0,0]=3 1005 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,0,0,0,0|2,0,0]=3 1006 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,0,0,0,0|2,0,0]=3 1007 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,0,0,0,0|2,0,0]=3 1008 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,0,0,0,0|3,0,0]=4 1009 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,0,0,0,0|3,0,0]=4 1010 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,0,0,0,0|3,0,0]=4 1011 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,0,0,0,0|3,0,0]=4 1012 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,0,0,0,0|2,0,0]=3 1013 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,0,0,0,0|2,0,0]=3 1014 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,0,0,0,0|2,1,0]=4 1015 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,0,0,0,0|2,1,0]=4 1016 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,0,0,0,0|2,1,0]=4 1017 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,0,0,0,0|2,1,0]=4 1018 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,0,0,0,0|3,0,0]=4 1019 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,0,0,0,0|3,0,0]=4 1020 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,0,0,0,0|3,0,0]=4 1021 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,0,0,0,0|3,0,0]=4 1022 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,0,0,0,0|3,0,0]=4 1023 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,0,0,0,0|3,0,0]=4 1024 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,0,0,0,0|3,0,0]=4 1025 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,0,0,0,0|3,0,0]=4 1026 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,0,0,0,0|3,0,0]=4 1027 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,0,0,0,0|3,0,0]=4 1028 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,0,0,0,0|3,0,0]=4 1029 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,0,0,0,0|3,0,0]=4 1030 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,0,0,0,0|3,0,0]=4 1031 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,0,0,0,0|3,0,0]=4 1032 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,0,0,0,0|3,0,0]=4 1033 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,0,0,0,0|3,0,0]=4 1034 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,0,0,0,0|3,0,0]=4 1035 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,0,0,0,0|3,0,0]=4 1036 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,0,0,0,0|3,0,0]=4 1037 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,0,0,0,0|3,0,0]=4 1038 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,0,0,0,0|3,0,0]=4 1039 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,0,0,0,0|3,0,0]=4 1040 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,0,0,0,0|3,0,0]=4 1041 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,0,0,0,0|3,0,0]=4 1042 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,0,0,0,0|3,0,0]=4 1043 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,0,0,0,0|3,0,0]=4 1044 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,0,0,0,0|3,0,0]=4 1045 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,0,0,0,0|3,0,0]=4 1046 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,0,0,0,0|3,0,0]=4 1047 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,0,0,0,0|3,0,0]=4 1048 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,0,0,0,0|3,0,0]=4 1049 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,0,0,0,0|3,0,0]=4 1050 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,0,0,0,0|3,0,0]=4 1051 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,0,0,0,0|3,0,0]=4 1052 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,0,0,0,0|3,0,0]=4 1053 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,0,0,0,0|3,0,0]=4 1054 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,0,0,0,0|3,0,0]=4 1055 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,0,0,0,0|3,0,0]=4 1056 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,0,0,0,0|2,0,0]=3 1057 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,0,0,0,0|2,0,0]=3 1058 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,0,0,0,0|2,0,0]=3 1059 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,0,0,0,0|2,0,0]=3 1060 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,0,0,0,0|2,1,0]=4 1061 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,0,0,0,0|2,1,0]=4 1062 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,0,0,0,0|2,1,0]=4 1063 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,0,0,0,0|2,1,0]=4 1064 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,0,0,0,0|3,0,0]=4 1065 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,0,0,0,0|3,0,0]=4 1066 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,0,0,0,0|3,0,0]=4 1067 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,0,0,0,0|3,0,0]=4 1068 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,0,0,0,0|3,0,0]=4 1069 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,0,0,0,0|3,0,0]=4 1070 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,0,0,0,0|2,0,0]=3 1071 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,0,0,0,0|2,0,0]=3 1072 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,0,0,0,0|2,1,0]=4 1073 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,0,0,0,0|2,1,0]=4 1074 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,0,0,0,0|2,1,0]=4 1075 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,0,0,0,0|2,1,0]=4 1076 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,1,0,0,0,0|2,1,0]=4 1077 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,1,0,0,0,0|2,1,0]=4 1078 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,0,0,0,0|2,0,1]=4 1079 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,0,0,0,0|3,0,0]=4 1080 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,0,0,0,0|3,0,0]=4 1081 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,0,0,0,0|2,0,0]=3 1082 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,0,0,0,0|3,0,0]=4 1083 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,0,0,0,0|2,0,0]=3 1084 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,0,0,0,0|3,0,0]=4 1085 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,0,0,0,0|3,0,0]=4 1086 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,0,0,0,0|3,0,0]=4 1087 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,0,0,0,0|2,0,0]=3 1088 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,0,0,0,0|2,0,0]=3 1089 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,0,0,0,0|2,0,0]=3 1090 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,0,0,0,0|3,0,0]=4 1091 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,0,0,0,0|2,0,0]=3 1092 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,0,0,0,0|2,0,0]=3 1093 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,0,0,0,0|2,0,0]=3 1094 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,0,0,0,0|2,0,0]=3 1095 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,0,0,0,0|3,0,0]=4 1096 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,1,0,0,0,0|2,0,0]=3 1097 B6R0.3 O=N(=O)C(Br)CO MCULE-2147001744 [0,1,0,0,0,0|3,0,0]=4 1098 B6R0.3 OCC(=C(F)F)F MCULE-9266336086 [0,1,0,0,0,0|1,1,1]=4 1099 B6R0.3 OC[C@@H](O)C(F)F MCULE-5042610356 [0,1,0,0,0,0|1,1,1]=4 1100 B6R0.3 OC[C@@H](O)C(F)F MCULE-8643910063 [0,1,0,0,0,0|1,1,1]=4 1101 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,0,0,0,0|3,0,0]=4 1102 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,0,0,0,0|2,0,0]=3 1103 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|3,0,0]=4 1104 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,0,0,0,0|2,1,0]=4 1105 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,1,0,0,0,0|2,0,1]=4 1106 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [0,1,0,0,0,0|2,1,0]=4 1107 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,1,0,0,0,0|3,0,0]=4 1108 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,1,0,0,0,0|3,0,0]=4 1109 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [0,1,0,0,0,0|3,0,0]=4 1110 B6R0.4 C=C(C)CCC#N MCULE-9953519474 [0,1,0,0,0,0|2,0,0]=3 1111 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [0,1,0,0,0,0|2,0,0]=3 1112 B6R0.4 C=C(C)CCCC MCULE-1010177756 [0,1,0,0,0,0|2,0,0]=3 1113 B6R0.4 C=C(C)CCCO MCULE-4629274490 [0,1,0,0,0,0|1,0,0]=2 1114 B6R0.4 C=C(C)CN=C=S MCULE-8890105593 [0,1,0,0,0,0|1,1,1]=4 1115 B6R0.4 C=C(C)CNCC MCULE-2237759977 [0,1,0,0,0,0|2,0,0]=3 1116 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [0,1,0,0,0,0|1,1,0]=3 1117 B6R0.4 C=C(Cl)CN=C=S MCULE-4347571803 [0,1,0,0,0,0|0,2,1]=4 1118 B6R0.4 C=C(F)CCCO MCULE-1688645687 [0,1,0,0,0,0|0,1,0]=2 1119 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [0,1,0,0,0,0|2,0,0]=3 1120 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [0,1,0,0,0,0|3,0,0]=4 1121 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [0,1,0,0,0,0|3,0,0]=4 1122 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,1,0,0,0,0|2,0,1]=4 1123 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,1,0,0,0,0|2,1,0]=4 1124 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,1,0,0,0,0|3,0,0]=4 1125 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,1,0,0,0,0|3,0,0]=4 1126 B6R0.4 C=CCCC(C)Br MCULE-5841356762 [0,1,0,0,0,0|1,0,2]=4 1127 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [0,1,0,0,0,0|2,0,1]=4 1128 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,1,0,0,0,0|2,0,1]=4 1129 B6R0.4 CC(=CCCO)C MCULE-2493404466 [0,1,0,0,0,0|1,0,1]=3 1130 B6R0.4 CC(=CCCO)C MCULE-8497528596 [0,1,0,0,0,0|1,0,1]=3 1131 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,1,0,0,0,0|2,0,1]=4 1132 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,1,0,0,0,0|1,0,2]=4 1133 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,1,0,0,0,0|2,0,1]=4 1134 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,1,0,0,0,0|2,0,1]=4 1135 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,1,0,0,0,0|1,0,1]=3 1136 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,1,0,0,0,0|2,0,1]=4 1137 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,1,0,0,0,0|2,0,1]=4 1138 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,1,0,0,0,0|1,0,1]=3 1139 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,1,0,0,0,0|1,1,1]=4 1140 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,1,0,0,0,0|2,0,1]=4 1141 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,1,0,0,0,0|2,0,1]=4 1142 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,1,0,0,0,0|2,0,1]=4 1143 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,1,0,0,0,0|2,0,1]=4 1144 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,1,0,0,0,0|1,0,1]=3 1145 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,1,0,0,0,0|2,0,1]=4 1146 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,1,0,0,0,0|2,0,1]=4 1147 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,1,0,0,0,0|2,0,1]=4 1148 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,1,0,0,0,0|2,0,1]=4 1149 B6R0.4 CC(Br)CCC#N MCULE-7424967519 [0,1,0,0,0,0|1,0,2]=4 1150 B6R0.4 CC(Br)CCCBr MCULE-8808667049 [0,1,0,0,0,0|1,0,2]=4 1151 B6R0.4 CC(C)CCCO MCULE-5797993948 [0,1,0,0,0,0|1,0,2]=4 1152 B6R0.4 CC(C)CCON MCULE-2653553816 [0,1,0,0,0,0|1,0,2]=4 1153 B6R0.4 CC(C)CCON MCULE-6468395078 [0,1,0,0,0,0|1,0,2]=4 1154 B6R0.4 CC(C)NCCO MCULE-1749029105 [0,1,0,0,0,0|1,0,2]=4 1155 B6R0.4 CC(C)OCCO MCULE-8766149613 [0,1,0,0,0,0|1,0,2]=4 1156 B6R0.4 CC(C)SCCO MCULE-1467015400 [0,1,0,0,0,0|1,0,2]=4 1157 B6R0.4 CC(Cl)CCCO MCULE-2554250532 [0,1,0,0,0,0|0,1,2]=4 1158 B6R0.4 CC(N)CCCO MCULE-6629535696 [0,1,0,0,0,0|1,0,2]=4 1159 B6R0.4 CC(O)CCCO MCULE-6580326052 [0,1,0,0,0,0|1,0,2]=4 1160 B6R0.4 CCCC=C(C)C MCULE-2110588796 [0,1,0,0,0,0|2,0,1]=4 1161 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,1,0,0,0,0|3,0,0]=4 1162 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,1,0,0,0,0|3,0,0]=4 1163 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,1,0,0,0,0|2,0,0]=3 1164 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,1,0,0,0,0|2,0,1]=4 1165 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,1,0,0,0,0|2,1,0]=4 1166 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,1,0,0,0,0|3,0,0]=4 1167 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,1,0,0,0,0|3,0,0]=4 1168 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,1,0,0,0,0|3,0,0]=4 1169 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,1,0,0,0,0|3,0,0]=4 1170 B6R0.4 CCCCC(C)Br MCULE-3252474574 [0,1,0,0,0,0|1,0,2]=4 1171 B6R0.4 CCCNC(=N)N MCULE-6381843991 [0,1,0,0,0,0|3,0,0]=4 1172 B6R0.4 CCCNC(=N)N MCULE-8286774592 [0,1,0,0,0,0|3,0,0]=4 1173 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,1,0,0,0,0|2,0,1]=4 1174 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,1,0,0,0,0|2,1,0]=4 1175 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,1,0,0,0,0|3,0,0]=4 1176 B6R0.4 CCCNC(=S)N MCULE-3142756488 [0,1,0,0,0,0|3,0,0]=4 1177 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,1,0,0,0,0|2,0,1]=4 1178 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,1,0,0,0,0|2,1,0]=4 1179 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,1,0,0,0,0|3,0,0]=4 1180 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [0,1,0,0,0,0|3,0,0]=4 1181 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [0,1,0,0,0,0|3,0,0]=4 1182 B6R0.4 CCCSC(=N)N MCULE-4777505658 [0,1,0,0,0,0|3,0,0]=4 1183 B6R0.4 CCCSC(=N)N MCULE-8873393921 [0,1,0,0,0,0|3,0,0]=4 1184 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,1,0,0,0,0|2,0,1]=4 1185 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,1,0,0,0,0|2,1,0]=4 1186 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [0,1,0,0,0,0|3,0,0]=4 1187 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,1,0,0,0,0|2,0,1]=4 1188 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,1,0,0,0,0|2,0,1]=4 1189 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,1,0,0,0,0|3,0,0]=4 1190 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,1,0,0,0,0|3,0,0]=4 1191 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,1,0,0,0,0|3,0,0]=4 1192 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,1,0,0,0,0|3,0,0]=4 1193 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,1,0,0,0,0|3,0,0]=4 1194 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,1,0,0,0,0|3,0,0]=4 1195 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,1,0,0,0,0|2,0,1]=4 1196 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,1,0,0,0,0|2,1,0]=4 1197 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,1,0,0,0,0|3,0,0]=4 1198 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,1,0,0,0,0|3,0,0]=4 1199 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,1,0,0,0,0|2,0,1]=4 1200 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,1,0,0,0,0|3,0,0]=4 1201 B6R0.4 CN(C)CCCO MCULE-7408728427 [0,1,0,0,0,0|2,0,1]=4 1202 B6R0.4 CN(C)CCON MCULE-1981169712 [0,1,0,0,0,0|2,0,1]=4 1203 B6R0.4 CN(C)CCON MCULE-6706970282 [0,1,0,0,0,0|2,0,1]=4 1204 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,1,0,0,0,0|3,0,0]=4 1205 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,1,0,0,0,0|3,0,0]=4 1206 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,1,0,0,0,0|3,0,0]=4 1207 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,1,0,0,0,0|3,0,0]=4 1208 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,1,0,0,0,0|2,0,0]=3 1209 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,1,0,0,0,0|2,0,0]=3 1210 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,1,0,0,0,0|1,0,1]=3 1211 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,1,0,0,0,0|1,1,0]=3 1212 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,1,0,0,0,0|2,0,0]=3 1213 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,1,0,0,0,0|2,0,0]=3 1214 B6R0.4 COCCC(C)Br MCULE-6529807745 [0,1,0,0,0,0|0,0,2]=3 1215 B6R0.4 COCCC(C)C MCULE-8727768886 [0,1,0,0,0,0|1,0,2]=4 1216 B6R0.4 COCCC(C)N MCULE-6183216923 [0,1,0,0,0,0|1,0,2]=4 1217 B6R0.4 COCCC(C)O MCULE-6536001437 [0,1,0,0,0,0|1,0,2]=4 1218 B6R0.4 COCCN(C)C MCULE-5323166567 [0,1,0,0,0,0|2,0,1]=4 1219 B6R0.4 COCCN(C)N MCULE-9480733049 [0,1,0,0,0,0|2,0,1]=4 1220 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [0,1,0,0,0,0|1,0,2]=4 1221 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [0,1,0,0,0,0|1,0,2]=4 1222 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,1,0,0,0,0|3,0,0]=4 1223 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,1,0,0,0,0|2,0,1]=4 1224 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,1,0,0,0,0|2,1,0]=4 1225 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,1,0,0,0,0|2,1,0]=4 1226 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,1,0,0,0,0|1,1,1]=4 1227 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,1,0,0,0,0|1,2,0]=4 1228 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,1,0,0,0,0|2,1,0]=4 1229 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,1,0,0,0,0|2,1,0]=4 1230 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [0,1,0,0,0,0|1,0,2]=4 1231 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [0,1,0,0,0,0|1,0,2]=4 1232 B6R0.4 FC(=CCCBr)F MCULE-2616028843 [0,1,0,0,0,0|2,1,0]=4 1233 B6R0.4 FC(=CCCCl)F MCULE-2193644602 [0,1,0,0,0,0|2,1,0]=4 1234 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,1,0,0,0,0|3,0,0]=4 1235 B6R0.4 N=C(N)NCCO MCULE-5114367892 [0,1,0,0,0,0|2,0,0]=3 1236 B6R0.4 N=C(N)NCCO MCULE-6389092248 [0,1,0,0,0,0|2,0,0]=3 1237 B6R0.4 N=C(N)NCCS MCULE-1108122235 [0,1,0,0,0,0|2,1,0]=4 1238 B6R0.4 N=C(N)NCCS MCULE-1842583721 [0,1,0,0,0,0|2,1,0]=4 1239 B6R0.4 N=C(N)NCCS MCULE-4497722042 [0,1,0,0,0,0|2,1,0]=4 1240 B6R0.4 N=C(N)NCCS MCULE-6123443321 [0,1,0,0,0,0|2,1,0]=4 1241 B6R0.4 N=C(N)SCCN MCULE-1482556327 [0,1,0,0,0,0|3,0,0]=4 1242 B6R0.4 N=C(N)SCCO MCULE-5563309692 [0,1,0,0,0,0|2,0,0]=3 1243 B6R0.4 N=C(N)SCCO MCULE-5671847690 [0,1,0,0,0,0|2,0,0]=3 1244 B6R0.4 NC(=NCCO)N MCULE-5043697998 [0,1,0,0,0,0|2,0,0]=3 1245 B6R0.4 NC(=NCCS)N MCULE-4111802244 [0,1,0,0,0,0|2,1,0]=4 1246 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,1,0,0,0,0|3,0,0]=4 1247 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,1,0,0,0,0|2,0,0]=3 1248 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,1,0,0,0,0|3,0,0]=4 1249 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,1,0,0,0,0|3,0,0]=4 1250 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,1,0,0,0,0|2,0,0]=3 1251 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,1,0,0,0,0|3,0,0]=4 1252 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,1,0,0,0,0|2,0,0]=3 1253 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,1,0,0,0,0|2,0,0]=3 1254 B6R0.4 NC(=S)NCCO MCULE-9343742573 [0,1,0,0,0,0|2,0,0]=3 1255 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,1,0,0,0,0|2,1,0]=4 1256 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,1,0,0,0,0|2,1,0]=4 1257 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,1,0,0,0,0|3,0,0]=4 1258 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,1,0,0,0,0|3,0,0]=4 1259 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,1,0,0,0,0|3,0,0]=4 1260 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,1,0,0,0,0|3,0,0]=4 1261 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,1,0,0,0,0|3,0,0]=4 1262 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,1,0,0,0,0|3,0,0]=4 1263 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,1,0,0,0,0|3,0,0]=4 1264 B6R0.4 NCCNC(=S)N MCULE-7473616024 [0,1,0,0,0,0|3,0,0]=4 1265 B6R0.4 NCCNC(=S)N MCULE-7947010145 [0,1,0,0,0,0|3,0,0]=4 1266 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,1,0,0,0,0|3,0,0]=4 1267 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,1,0,0,0,0|3,0,0]=4 1268 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,1,0,0,0,0|2,0,0]=3 1269 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,1,0,0,0,0|2,0,0]=3 1270 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,1,0,0,0,0|2,1,0]=4 1271 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,1,0,0,0,0|2,1,0]=4 1272 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,1,0,0,0,0|2,1,0]=4 1273 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,1,0,0,0,0|2,1,0]=4 1274 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,1,0,0,0,0|2,1,0]=4 1275 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,1,0,0,0,0|2,0,1]=4 1276 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,1,0,0,0,0|2,0,1]=4 1277 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,1,0,0,0,0|2,0,1]=4 1278 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,1,0,0,0,0|3,0,0]=4 1279 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,1,0,0,0,0|3,0,0]=4 1280 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,1,0,0,0,0|3,0,0]=4 1281 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,1,0,0,0,0|3,0,0]=4 1282 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,1,0,0,0,0|2,1,0]=4 1283 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,1,0,0,0,0|2,0,0]=3 1284 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,1,0,0,0,0|3,0,0]=4 1285 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,1,0,0,0,0|2,0,0]=3 1286 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,1,0,0,0,0|2,0,1]=4 1287 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [0,1,0,0,0,0|3,0,0]=4 1288 B6R0.4 OCCCC(F)F MCULE-2972867290 [0,1,0,0,0,0|1,1,1]=4 1289 B6R0.4 OCCOC(F)F MCULE-6004830165 [0,1,0,0,0,0|1,1,1]=4 1290 B6R0.4 [NH2+]=C(N)SCC[NH3+] MCULE-2799536411 [0,1,0,0,0,0|3,0,0]=4 1291 B6R0.5 CC(C)(Br)CCBr MCULE-9461856185 [0,1,0,0,0,0|1,0,2]=4 1292 B6R0.5 CC(C)(C)CCO MCULE-3121776589 [0,1,0,0,0,0|1,0,2]=4 1293 B6R0.5 CC(C)(F)CCO MCULE-7157649991 [0,1,0,0,0,0|0,1,2]=4 1294 B6R0.5 CC(C)(I)CCO MCULE-2114317591 [0,1,0,0,0,0|0,1,2]=4 1295 B6R0.5 CC(C)(N)CCO MCULE-2300724181 [0,1,0,0,0,0|1,0,2]=4 1296 B6R0.5 CC(C)(N)CCO MCULE-7470688556 [0,1,0,0,0,0|1,0,2]=4 1297 B6R0.5 CC(C)(O)CCO MCULE-4723950851 [0,1,0,0,0,0|1,0,2]=4 1298 B6R0.5 CC(C)(S)CCO MCULE-6218278668 [0,1,0,0,0,0|1,0,2]=4 1299 B6R0.5 CC(F)(F)CCO MCULE-6983720400 [0,1,0,0,0,0|0,1,2]=4 1300 B6R0.5 CS(=N)(=O)CCO MCULE-8018746796 [0,1,0,0,0,0|2,0,1]=4 1301 B6R0.5 CS(=O)(=O)CCO MCULE-1589351176 [0,1,0,0,0,0|2,0,1]=4 1302 B6R0.5 C[N+](C)(C)CCO MCULE-3010919014 [0,1,0,0,0,0|2,0,1]=4 1303 B6R0.5 C[N+](C)(C)CCO MCULE-3528185452 [0,1,0,0,0,0|2,0,1]=4 1304 B6R0.5 C[N+](C)(C)CCO MCULE-4172409716 [0,1,0,0,0,0|2,0,1]=4 1305 B6R0.5 C[N+](C)(C)CCO MCULE-7472714268 [0,1,0,0,0,0|2,0,1]=4 1306 B6R0.5 C[N+](C)(C)CCO MCULE-7712564949 [0,1,0,0,0,0|2,0,1]=4 1307 B6R0.5 C[N+](C)(C)CCO MCULE-7734259295 [0,1,0,0,0,0|2,0,1]=4 1308 B6R0.5 C[N+](C)(C)CCO MCULE-8298385594 [0,1,0,0,0,0|2,0,1]=4 1309 B6R0.5 C[Si](C)(C)CCO MCULE-3912098564 [0,1,0,0,0,0|1,1,1]=4 1310 B6R0.5 NCCC(F)(F)Br MCULE-4079570759 [0,1,0,0,0,0|2,0,1]=4 1311 B6R0.5 NCCC(F)(F)Br MCULE-9322459845 [0,1,0,0,0,0|2,0,1]=4 1312 B6R0.5 NS(=O)(=O)CCO MCULE-2612328809 [0,1,0,0,0,0|3,0,0]=4 1313 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [0,1,0,0,0,0|3,0,0]=4 1314 B6R0.5 O=S(=O)(Cl)CCO MCULE-8335645741 [0,1,0,0,0,0|2,1,0]=4 1315 B6R0.5 O=S(=O)(F)CCO MCULE-5940944774 [0,1,0,0,0,0|2,1,0]=4 1316 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [0,1,0,0,0,0|3,0,0]=4 1317 B6R0.5 O=S(=O)([O-])CCO MCULE-2371191982 [0,1,0,0,0,0|3,0,0]=4 1318 B6R0.5 O=S(=O)([O-])CCO MCULE-5592842641 [0,1,0,0,0,0|3,0,0]=4 1319 B6R0.5 O=S(=O)([O-])CCO MCULE-7262663037 [0,1,0,0,0,0|3,0,0]=4 1320 B6R0.5 OCCC(F)(F)F MCULE-1784497575 [0,1,0,0,0,0|1,1,1]=4 1321 B6R1.2 BrC1=CC=CN1 MCULE-5264580992 [0,0,0,1,0,0|2,0,1]=4 1322 B6R1.2 BrC1=CC=CO1 MCULE-5734064318 [0,0,0,1,0,0|2,0,1]=4 1323 B6R1.2 BrC1=CC=CS1 MCULE-1364150691 [0,0,0,1,0,0|2,0,1]=4 1324 B6R1.2 BrC1=CC=C[Se]1 MCULE-9011330064 [0,0,0,1,0,0|2,0,1]=4 1325 B6R1.2 BrC1=CC=NN1 MCULE-9341716246 [0,0,0,1,0,0|3,0,0]=4 1326 B6R1.2 BrC1=CC=NO1 MCULE-9219362534 [0,0,0,1,0,0|3,0,0]=4 1327 B6R1.2 BrC1=CC=NS1 MCULE-2346915540 [0,0,0,1,0,0|3,0,0]=4 1328 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [0,0,0,1,0,0|1,0,0]=2 1329 B6R1.2 BrC1=CN=CO1 MCULE-5651145478 [0,0,0,1,0,0|2,0,1]=4 1330 B6R1.2 BrC1=CN=CO1 MCULE-8656599411 [0,0,0,1,0,0|2,0,1]=4 1331 B6R1.2 BrC1=CN=CS1 MCULE-2394006568 [0,0,0,1,0,0|2,0,1]=4 1332 B6R1.2 BrC1=CN=NN1 MCULE-2047133140 [0,0,0,1,0,0|3,0,0]=4 1333 B6R1.2 BrC1=CNC=C1 MCULE-2704154564 [0,0,0,1,0,0|1,0,2]=4 1334 B6R1.2 BrC1=CNC=N1 MCULE-7584078883 [0,0,0,1,0,0|2,0,1]=4 1335 B6R1.2 BrC1=CNN=C1 MCULE-2600716492 [0,0,0,1,0,0|2,0,1]=4 1336 B6R1.2 BrC1=COC=C1 MCULE-7282301463 [0,0,0,1,0,0|0,0,2]=3 1337 B6R1.2 BrC1=COC=N1 MCULE-3389578396 [0,0,0,1,0,0|1,0,1]=3 1338 B6R1.2 BrC1=COC=N1 MCULE-5006735396 [0,0,0,1,0,0|1,0,1]=3 1339 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,0,0,1,0,0|0,0,0]=1 1340 B6R1.2 BrC1=CON=C1 MCULE-7025802564 [0,0,0,1,0,0|1,0,1]=3 1341 B6R1.2 BrC1=CSC=C1 MCULE-6680927224 [0,0,0,1,0,0|0,1,2]=4 1342 B6R1.2 BrC1=CSC=N1 MCULE-6952917931 [0,0,0,1,0,0|1,1,1]=4 1343 B6R1.2 BrC1=CSN=C1 MCULE-2285235944 [0,0,0,1,0,0|1,1,1]=4 1344 B6R1.2 BrC1=NOC=C1 MCULE-1786338778 [0,0,0,1,0,0|1,0,2]=4 1345 B6R1.2 BrC1=NSC=C1 MCULE-5948625316 [0,0,0,1,0,0|3,0,0]=4 1346 B6R1.2 BrC1CCCC1 MCULE-9383923023 [0,0,0,1,0,0|1,0,2]=4 1347 B6R1.2 BrC1CCNC1 MCULE-4841543716 [0,0,0,1,0,0|1,0,2]=4 1348 B6R1.2 BrC1CCNC1 MCULE-4954951045 [0,0,0,1,0,0|1,0,2]=4 1349 B6R1.2 BrC1CCNC1 MCULE-7176123276 [0,0,0,1,0,0|1,0,2]=4 1350 B6R1.2 BrC1CCOC1 MCULE-7037144528 [0,0,0,1,0,0|0,0,2]=3 1351 B6R1.2 BrC1CCSC1 MCULE-6663716947 [0,0,0,1,0,0|0,1,2]=4 1352 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [0,0,0,1,0,0|1,0,2]=4 1353 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [0,0,0,1,0,0|1,0,2]=4 1354 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [0,0,0,1,0,0|1,0,2]=4 1355 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [0,0,0,1,0,0|1,0,2]=4 1356 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [0,0,0,1,0,0|1,0,2]=4 1357 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [0,0,0,1,0,0|1,0,2]=4 1358 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [0,0,0,1,0,0|1,0,2]=4 1359 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [0,0,0,1,0,0|1,0,2]=4 1360 B6R1.2 Br[C@H]1CCOC1 MCULE-7554969036 [0,0,0,1,0,0|0,0,2]=3 1361 B6R1.2 C1(CCOC1)I MCULE-4877322062 [0,0,0,1,0,0|0,1,2]=4 1362 B6R1.2 C1(CCOC1)N MCULE-2221007915 [0,0,0,1,0,0|1,0,2]=4 1363 B6R1.2 C1(CCOC1)N MCULE-3972931474 [0,0,0,1,0,0|1,0,2]=4 1364 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,0,0,1,0,0|1,0,2]=4 1365 B6R1.2 C=C1CCCC1 MCULE-4115373196 [0,0,0,1,0,0|2,0,0]=3 1366 B6R1.2 C=C1CCNC1 MCULE-7982953073 [0,0,0,1,0,0|2,0,0]=3 1367 B6R1.2 C=C1CCNC1 MCULE-8428731599 [0,0,0,1,0,0|2,0,0]=3 1368 B6R1.2 C=C1CCSC1 MCULE-7042571473 [0,0,0,1,0,0|1,1,0]=3 1369 B6R1.2 CC1=CC=CC1 MCULE-3765599626 [0,0,0,1,0,0|2,0,1]=4 1370 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,0,0,1,0,0|2,0,0]=3 1371 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,1,0,0|3,0,0]=4 1372 B6R1.2 CC1=CCNC1 MCULE-5892113847 [0,0,0,1,0,0|3,0,0]=4 1373 B6R1.2 CC1=CCNC1 MCULE-9225220351 [0,0,0,1,0,0|3,0,0]=4 1374 B6R1.2 CC1=COC=C1 MCULE-1597223627 [0,0,0,1,0,0|1,0,2]=4 1375 B6R1.2 CC1=COC=N1 MCULE-3497089982 [0,0,0,1,0,0|2,0,1]=4 1376 B6R1.2 CC1=CON=C1 MCULE-4312100714 [0,0,0,1,0,0|2,0,1]=4 1377 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,0,0,1,0,0|2,0,1]=4 1378 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,0,0,1,0,0|2,0,1]=4 1379 B6R1.2 CC1C=CCC1 MCULE-1638534048 [0,0,0,1,0,0|2,0,1]=4 1380 B6R1.2 CC1CCOC1 MCULE-6424683416 [0,0,0,1,0,0|1,0,2]=4 1381 B6R1.2 CN1CCOC1 MCULE-5504672404 [0,0,0,1,0,0|2,0,1]=4 1382 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [0,0,0,1,0,0|1,1,0]=3 1383 B6R1.2 ClC1CCOC1 MCULE-6903762147 [0,0,0,1,0,0|0,1,2]=4 1384 B6R1.2 IC1=CCCC1 MCULE-5953451970 [0,0,0,1,0,0|1,1,0]=3 1385 B6R1.2 IC1=COC=N1 MCULE-1363022741 [0,0,0,1,0,0|1,1,1]=4 1386 B6R1.2 IC1=COC=N1 MCULE-8108166687 [0,0,0,1,0,0|1,1,1]=4 1387 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,0,0,1,0,0|0,1,0]=2 1388 B6R1.2 IC1=CON=C1 MCULE-4450603437 [0,0,0,1,0,0|1,1,1]=4 1389 B6R1.2 IC1CCOC1 MCULE-1379775972 [0,0,0,1,0,0|0,1,2]=4 1390 B6R1.2 I[C@@H]1CCOC1 MCULE-2036157502 [0,0,0,1,0,0|0,1,2]=4 1391 B6R1.2 I[C@@H]1CCOC1 MCULE-4800752659 [0,0,0,1,0,0|0,1,2]=4 1392 B6R1.2 I[C@H]1CCOC1 MCULE-4242860607 [0,0,0,1,0,0|0,1,2]=4 1393 B6R1.2 I[C@H]1CCOC1 MCULE-7095404975 [0,0,0,1,0,0|0,1,2]=4 1394 B6R1.2 N=C1CCCS1 MCULE-4228855265 [0,0,0,1,0,0|3,0,0]=4 1395 B6R1.2 N=C1CCCS1 MCULE-7496124035 [0,0,0,1,0,0|3,0,0]=4 1396 B6R1.2 NC1=COC=C1 MCULE-1858324031 [0,0,0,1,0,0|1,0,2]=4 1397 B6R1.2 NC1=COC=C1 MCULE-3985426542 [0,0,0,1,0,0|1,0,2]=4 1398 B6R1.2 NC1=COC=N1 MCULE-2511021171 [0,0,0,1,0,0|2,0,1]=4 1399 B6R1.2 NC1=COC=N1 MCULE-3099880728 [0,0,0,1,0,0|2,0,1]=4 1400 B6R1.2 NC1=CON=C1 MCULE-2373604754 [0,0,0,1,0,0|2,0,1]=4 1401 B6R1.2 NC1=CON=C1 MCULE-7932471087 [0,0,0,1,0,0|2,0,1]=4 1402 B6R1.2 NC1=NCCC1 MCULE-6089369366 [0,0,0,1,0,0|3,0,0]=4 1403 B6R1.2 NC1=NCCC1 MCULE-8979618464 [0,0,0,1,0,0|3,0,0]=4 1404 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,0,0,1,0,0|3,0,0]=4 1405 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,0,0,1,0,0|2,0,0]=3 1406 B6R1.2 NC1C=CCC1 MCULE-2537724380 [0,0,0,1,0,0|2,0,1]=4 1407 B6R1.2 NC1C=CCC1 MCULE-5017993489 [0,0,0,1,0,0|2,0,1]=4 1408 B6R1.2 NC1CCOC1 MCULE-1276945018 [0,0,0,1,0,0|1,0,2]=4 1409 B6R1.2 NC1CCOC1 MCULE-8146259495 [0,0,0,1,0,0|1,0,2]=4 1410 B6R1.2 N[C@@H]1CCOC1 MCULE-1100136080 [0,0,0,1,0,0|1,0,2]=4 1411 B6R1.2 N[C@@H]1CCOC1 MCULE-4493278911 [0,0,0,1,0,0|1,0,2]=4 1412 B6R1.2 N[C@@H]1CCOC1 MCULE-5574536510 [0,0,0,1,0,0|1,0,2]=4 1413 B6R1.2 N[C@@H]1CCOC1 MCULE-7204677203 [0,0,0,1,0,0|1,0,2]=4 1414 B6R1.2 N[C@H]1CCOC1 MCULE-2273771439 [0,0,0,1,0,0|1,0,2]=4 1415 B6R1.2 N[C@H]1CCOC1 MCULE-3567904137 [0,0,0,1,0,0|1,0,2]=4 1416 B6R1.2 N[C@H]1CCOC1 MCULE-5268616156 [0,0,0,1,0,0|1,0,2]=4 1417 B6R1.2 N[C@H]1CCOC1 MCULE-7351975857 [0,0,0,1,0,0|1,0,2]=4 1418 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,0,0,1,0,0|2,0,0]=3 1419 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,0,0,1,0,0|3,0,0]=4 1420 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,0,0,1,0,0|3,0,0]=4 1421 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [0,0,0,1,0,0|3,0,0]=4 1422 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [0,0,0,1,0,0|3,0,0]=4 1423 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,0,0,1,0,0|2,0,1]=4 1424 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,0,0,1,0,0|3,0,0]=4 1425 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,1,0,0|3,0,0]=4 1426 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,0,0,1,0,0|3,0,0]=4 1427 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,0,0,1,0,0|2,0,1]=4 1428 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,0,0,1,0,0|2,0,1]=4 1429 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,0,0,1,0,0|3,0,0]=4 1430 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,1,0,0|1,0,1]=3 1431 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,1,0,0|2,0,0]=3 1432 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,0,0,1,0,0|1,1,1]=4 1433 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,0,0,1,0,0|3,0,0]=4 1434 B6R1.2 OC1=CON=C1 MCULE-9622003135 [0,0,0,1,0,0|2,0,1]=4 1435 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,0,0,1,0,0|2,0,1]=4 1436 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,0,0,1,0,0|1,0,2]=4 1437 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,0,0,1,0,0|1,0,2]=4 1438 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,0,0,1,0,0|1,0,2]=4 1439 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,0,0,1,0,0|1,0,2]=4 1440 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,0,0,1,0,0|1,0,2]=4 1441 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,0,0,1,0,0|1,0,2]=4 1442 B6R1.2 S=C1CCCN1 MCULE-1089290822 [0,0,0,1,0,0|3,0,0]=4 1443 B6R1.2 SC1CCOC1 MCULE-9247906418 [0,0,0,1,0,0|1,0,2]=4 1444 B6R1.2 [TlH2]C1=CC=CC1 MCULE-7402896981 [0,0,0,1,0,0|2,0,1]=4 1445 B6R1.3 OCCC1CC1 MCULE-1360348684 [0,0,0,1,0,0|1,0,2]=4 1446 B6R1.3 OCCC1CO1 MCULE-6523000607 [0,0,0,1,0,0|1,0,2]=4 1447 B6R1.3 OCCN1CC1 MCULE-3845187783 [0,0,0,1,0,0|2,0,1]=4 1448 B6R1.3 OCC[C@@H]1CO1 MCULE-4797533590 [0,0,0,1,0,0|1,0,2]=4 1449 B6R1.3 OCC[C@@H]1CO1 MCULE-6833850805 [0,0,0,1,0,0|1,0,2]=4 1450 B6R1.3 OCC[C@H]1CO1 MCULE-3560802495 [0,0,0,1,0,0|1,0,2]=4 1451 B6R1.3 OCC[C@H]1CO1 MCULE-8738926598 [0,0,0,1,0,0|1,0,2]=4 1452 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,0,0,1,0,0|1,0,2]=4 1453 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,0,0,1,0,0|2,0,0]=3 1454 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,0,0,1,0,0|2,0,0]=3 1455 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,0,0,1,0,0|2,0,1]=4 1456 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,0,0,1,0,0|3,0,0]=4 1457 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,0,0,1,0,0|3,0,0]=4 1458 B6R1.5 CC1CC(C1)O MCULE-8612661286 [0,0,0,1,0,0|1,0,2]=4 1459 B6R1.5 CN1CC(C1)O MCULE-2897194266 [0,0,0,1,0,0|2,0,1]=4 1460 B6R1.5 CN1CC(C1)O MCULE-3717153558 [0,0,0,1,0,0|2,0,1]=4 1461 B6R1.5 CN1CC(C1)O MCULE-7229396078 [0,0,0,1,0,0|2,0,1]=4 1462 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,0,0,1,0,0|3,0,0]=4 1463 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [0,0,0,1,0,0|1,0,2]=4 1464 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,0,0,1,0,0|2,0,1]=4 1465 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,0,0,1,0,0|2,0,1]=4 1466 B6R1.5 NC1CC(C1)Br MCULE-1024702653 [0,0,0,1,0,0|1,0,2]=4 1467 B6R1.5 NC1CC(C1)Br MCULE-6956910745 [0,0,0,1,0,0|1,0,2]=4 1468 B6R1.5 NC1CC(C1)O MCULE-3800806511 [0,0,0,1,0,0|1,0,2]=4 1469 B6R1.5 NC1CC(C1)O MCULE-4101412744 [0,0,0,1,0,0|1,0,2]=4 1470 B6R1.5 NN1CC(C1)O MCULE-1883589988 [0,0,0,1,0,0|2,0,1]=4 1471 B6R1.5 NN1CC(C1)O MCULE-4736517920 [0,0,0,1,0,0|2,0,1]=4 1472 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-2563959776 [0,0,0,1,0,0|1,0,2]=4 1473 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-4159438704 [0,0,0,1,0,0|1,0,2]=4 1474 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [0,0,0,1,0,0|1,0,2]=4 1475 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [0,0,0,1,0,0|1,0,2]=4 1476 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [0,0,0,1,0,0|1,0,2]=4 1477 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [0,0,0,1,0,0|1,0,2]=4 1478 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,0,0,1,0,0|2,0,1]=4 1479 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,0,0,1,0,0|2,0,1]=4 1480 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,0,0,1,0,0|1,0,1]=3 1481 B6R1.5 OC1CC(C1)Br MCULE-8550195809 [0,0,0,1,0,0|0,0,2]=3 1482 B6R1.5 OC1CC(C1)F MCULE-7130501241 [0,0,0,1,0,0|0,1,2]=4 1483 B6R1.5 OC1CC(C1)O MCULE-4391504671 [0,0,0,1,0,0|1,0,2]=4 1484 B6R1.5 O[C@H]1C[C@@H](C1)F MCULE-8960643165 [0,0,0,1,0,0|0,1,2]=4 1485 B6R1.5 O[C@H]1C[C@@H](C1)O MCULE-5524471729 [0,0,0,1,0,0|1,0,2]=4 1486 B6R1.5 O[C@H]1C[C@H](C1)O MCULE-7725166436 [0,0,0,1,0,0|1,0,2]=4 1487 B6R1.5 [C@@H]1(C[C@H](C1)F)O MCULE-5214761916 [0,0,0,1,0,0|0,1,2]=4 1488 B6R1.8 C=C1CC1CO MCULE-4338601055 [0,0,0,1,0,0|1,0,0]=2 1489 B6R1.8 CC1CC1CO MCULE-5196594569 [0,0,0,1,0,0|1,0,2]=4 1490 B6R1.8 CC1OC1CO MCULE-1680425960 [0,0,0,1,0,0|1,0,2]=4 1491 B6R1.8 C[C@@H]1C[C@@H]1CO MCULE-7143685612 [0,0,0,1,0,0|1,0,2]=4 1492 B6R1.8 C[C@@H]1C[C@H]1CO MCULE-3741611930 [0,0,0,1,0,0|1,0,2]=4 1493 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-2846304871 [0,0,0,1,0,0|1,0,2]=4 1494 B6R1.8 C[C@H]1C[C@@H]1CO MCULE-9275931471 [0,0,0,1,0,0|1,0,2]=4 1495 B6R1.8 C[C@H]1C[C@H]1CO MCULE-3828120088 [0,0,0,1,0,0|1,0,2]=4 1496 B6R1.8 C[C@H]1C[C@H]1CO MCULE-8442952820 [0,0,0,1,0,0|1,0,2]=4 1497 B6R1.8 NC1CC1CO MCULE-7666097515 [0,0,0,1,0,0|1,0,2]=4 1498 B6R1.8 OCC1CC1Cl MCULE-1321755136 [0,0,0,1,0,0|0,1,2]=4 1499 B6R1.8 OCC1C[C@@H]1F MCULE-2637570432 [0,0,0,1,0,0|0,1,2]=4 1500 B6R1.8 OC[C@@H]1C[C@@H]1F MCULE-9090620006 [0,0,0,1,0,0|0,1,2]=4 1501 B6R1.8 OC[C@@H]1C[C@H]1Br MCULE-8344332753 [0,0,0,1,0,0|0,0,2]=3 1502 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-6282037947 [0,0,0,1,0,0|0,1,2]=4 1503 B6R1.8 OC[C@@H]1C[C@H]1F MCULE-8944803823 [0,0,0,1,0,0|0,1,2]=4 1504 B6R1.8 OC[C@H]1C[C@@H]1F MCULE-3157094299 [0,0,0,1,0,0|0,1,2]=4 1505 B6R1.9 CC1(CC1O)C MCULE-2207251369 [0,0,0,1,0,0|1,0,2]=4 1506 B6R1.9 OC1CC1(F)F MCULE-7582982777 [0,0,0,1,0,0|1,1,1]=4 1507 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [0,0,0,1,0,0|1,0,0]=2 1508 B6R1.11 C=C(Cl)C1CO1 MCULE-5190310903 [0,0,0,1,0,0|0,1,0]=2 1509 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,0,0,1,0,0|2,0,1]=4 1510 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,0,0,1,0,0|1,0,1]=3 1511 B6R1.11 CC(C)C1CO1 MCULE-6294069717 [0,0,0,1,0,0|1,0,2]=4 1512 B6R1.11 CC(C)[C@@H]1CO1 MCULE-9181831987 [0,0,0,1,0,0|1,0,2]=4 1513 B6R1.11 CC(C)[C@H]1CO1 MCULE-1978831452 [0,0,0,1,0,0|1,0,2]=4 1514 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [0,0,0,1,0,0|1,0,2]=4 1515 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [0,0,0,1,0,0|3,0,0]=4 1516 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [0,0,0,1,0,0|3,0,0]=4 1517 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,0,0,1,0,0|3,0,0]=4 1518 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,0,0,1,0,0|2,0,0]=3 1519 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [0,0,0,1,0,0|3,0,0]=4 1520 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [0,0,0,1,0,0|2,1,0]=4 1521 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,0,0,1,0,0|3,0,0]=4 1522 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,0,0,1,0,0|3,0,0]=4 1523 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,0,0,1,0,0|2,0,0]=3 1524 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,0,0,1,0,0|3,0,0]=4 1525 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,0,0,1,0,0|3,0,0]=4 1526 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,0,0,1,0,0|2,0,0]=3 1527 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,0,0,1,0,0|2,0,0]=3 1528 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [0,0,0,1,0,0|3,0,0]=4 1529 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,0,0,1,0,0|2,0,0]=3 1530 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,0,0,1,0,0|2,0,0]=3 1531 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,0,0,1,0,0|2,0,0]=3 1532 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,0,0,1,0,0|2,0,0]=3 1533 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,0,0,1,0,0|2,0,0]=3 1534 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,0,0,1,0,0|2,0,0]=3 1535 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,0,0,1,0,0|2,0,0]=3 1536 B3R0.1 Br/C=C/Br MCULE-6284547614 [2,0,0,0,0,0|1,0,1]=4 1537 B3R0.1 BrC=CBr MCULE-4478409345 [2,0,0,0,0,0|1,0,1]=4 1538 B3R0.1 BrCCBr MCULE-7586462642 [2,0,0,0,0,0|1,0,0]=3 1539 B3R0.1 BrCCI MCULE-8691237057 [2,0,0,0,0,0|1,0,0]=3 1540 B3R0.1 C#CCBr MCULE-7634822695 [2,0,0,0,0,0|1,0,1]=4 1541 B3R0.1 C#CCC MCULE-8090253856 [2,0,0,0,0,0|0,0,2]=4 1542 B3R0.1 C#CCO MCULE-3909200923 [2,0,0,0,0,0|0,0,2]=4 1543 B3R0.1 C/C=C/Br MCULE-4076369660 [2,0,0,0,0,0|0,0,1]=3 1544 B3R0.1 C/C=N/O MCULE-2376410404 [2,0,0,0,0,0|1,0,1]=4 1545 B3R0.1 C=CC#N MCULE-8176403366 [2,0,0,0,0,0|1,0,1]=4 1546 B3R0.1 C=CC=C MCULE-4134157329 [2,0,0,0,0,0|0,0,2]=4 1547 B3R0.1 C=CC=O MCULE-2104890669 [2,0,0,0,0,0|0,0,2]=4 1548 B3R0.1 C=CCBr MCULE-9486454833 [2,0,0,0,0,0|1,0,0]=3 1549 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|0,0,0]=2 1550 B3R0.1 C=CCCl MCULE-4067772785 [2,0,0,0,0,0|1,0,0]=3 1551 B3R0.1 C=CCF MCULE-7783191980 [2,0,0,0,0,0|1,0,0]=3 1552 B3R0.1 C=CCI MCULE-5037698873 [2,0,0,0,0,0|1,0,0]=3 1553 B3R0.1 C=CCN MCULE-2424616806 [2,0,0,0,0,0|1,0,0]=3 1554 B3R0.1 C=CCN MCULE-2473480946 [2,0,0,0,0,0|1,0,0]=3 1555 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|0,0,0]=2 1556 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|0,1,0]=3 1557 B3R0.1 C=COC MCULE-4880746684 [2,0,0,0,0,0|1,0,0]=3 1558 B3R0.1 CC=CBr MCULE-2098755460 [2,0,0,0,0,0|0,0,1]=3 1559 B3R0.1 CC=CCl MCULE-9225887510 [2,0,0,0,0,0|0,1,1]=4 1560 B3R0.1 CC=NO MCULE-9761317381 [2,0,0,0,0,0|1,0,1]=4 1561 B3R0.1 CCC#N MCULE-9484970536 [2,0,0,0,0,0|1,0,1]=4 1562 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|1,0,0]=3 1563 B3R0.1 CCCBr MCULE-2393970713 [2,0,0,0,0,0|0,0,1]=3 1564 B3R0.1 CCCC MCULE-9760497805 [2,0,0,0,0,0|0,0,2]=4 1565 B3R0.1 CCCCl MCULE-3496412829 [2,0,0,0,0,0|0,1,1]=4 1566 B3R0.1 CCCF MCULE-8540338768 [2,0,0,0,0,0|0,1,1]=4 1567 B3R0.1 CCCI MCULE-1721488805 [2,0,0,0,0,0|0,1,1]=4 1568 B3R0.1 CCCN MCULE-2885523792 [2,0,0,0,0,0|1,0,1]=4 1569 B3R0.1 CCCN MCULE-4318907091 [2,0,0,0,0,0|1,0,1]=4 1570 B3R0.1 CCCN MCULE-6330457870 [2,0,0,0,0,0|1,0,1]=4 1571 B3R0.1 CCCN MCULE-7146820007 [2,0,0,0,0,0|1,0,1]=4 1572 B3R0.1 CCCO MCULE-6252105126 [2,0,0,0,0,0|0,0,1]=3 1573 B3R0.1 CCCS MCULE-8267649092 [2,0,0,0,0,0|0,1,1]=4 1574 B3R0.1 CCNC MCULE-7215376398 [2,0,0,0,0,0|1,0,1]=4 1575 B3R0.1 CCNC MCULE-9811899205 [2,0,0,0,0,0|1,0,1]=4 1576 B3R0.1 CCNN MCULE-4753127904 [2,0,0,0,0,0|2,0,0]=4 1577 B3R0.1 CCNN MCULE-7630363192 [2,0,0,0,0,0|2,0,0]=4 1578 B3R0.1 CCNN MCULE-8402230944 [2,0,0,0,0,0|2,0,0]=4 1579 B3R0.1 CCNO MCULE-1215586669 [2,0,0,0,0,0|1,0,1]=4 1580 B3R0.1 CCNO MCULE-7075818857 [2,0,0,0,0,0|1,0,1]=4 1581 B3R0.1 CCON MCULE-5316082054 [2,0,0,0,0,0|2,0,0]=4 1582 B3R0.1 CCON MCULE-6621418839 [2,0,0,0,0,0|2,0,0]=4 1583 B3R0.1 CCO[NH3+] MCULE-7670481464 [2,0,0,0,0,0|2,0,0]=4 1584 B3R0.1 CCO[NH3+] MCULE-7871083232 [2,0,0,0,0,0|2,0,0]=4 1585 B3R0.1 CCSC MCULE-6944750263 [2,0,0,0,0,0|1,0,1]=4 1586 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|2,0,0]=4 1587 B3R0.1 CNC=S MCULE-1018523469 [2,0,0,0,0,0|2,0,0]=4 1588 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|2,0,0]=4 1589 B3R0.1 COCBr MCULE-2566721472 [2,0,0,0,0,0|1,0,1]=4 1590 B3R0.1 ClCCBr MCULE-3933774075 [2,0,0,0,0,0|1,0,0]=3 1591 B3R0.1 ClCCCl MCULE-3493741440 [2,0,0,0,0,0|1,1,0]=4 1592 B3R0.1 ClCCI MCULE-7847880962 [2,0,0,0,0,0|1,1,0]=4 1593 B3R0.1 FC=CBr MCULE-3730796032 [2,0,0,0,0,0|1,0,1]=4 1594 B3R0.1 FCCBr MCULE-3117974140 [2,0,0,0,0,0|1,0,0]=3 1595 B3R0.1 FCCCl MCULE-1862981403 [2,0,0,0,0,0|1,1,0]=4 1596 B3R0.1 FCCF MCULE-1975194621 [2,0,0,0,0,0|1,1,0]=4 1597 B3R0.1 FCCI MCULE-3689313503 [2,0,0,0,0,0|1,1,0]=4 1598 B3R0.1 ICCI MCULE-8025471988 [2,0,0,0,0,0|1,1,0]=4 1599 B3R0.1 N#CCBr MCULE-3684255203 [2,0,0,0,0,0|1,0,1]=4 1600 B3R0.1 N/C=N/O MCULE-9567664507 [2,0,0,0,0,0|2,0,0]=4 1601 B3R0.1 NCCBr MCULE-3401124597 [2,0,0,0,0,0|1,0,0]=3 1602 B3R0.1 NCCBr MCULE-6215378497 [2,0,0,0,0,0|1,0,0]=3 1603 B3R0.1 NCCCl MCULE-1458699843 [2,0,0,0,0,0|1,1,0]=4 1604 B3R0.1 NCCCl MCULE-6944306112 [2,0,0,0,0,0|1,1,0]=4 1605 B3R0.1 NCCF MCULE-1670520169 [2,0,0,0,0,0|1,1,0]=4 1606 B3R0.1 NCCF MCULE-4963351029 [2,0,0,0,0,0|1,1,0]=4 1607 B3R0.1 NCCI MCULE-6905308399 [2,0,0,0,0,0|1,1,0]=4 1608 B3R0.1 NCCI MCULE-7487764362 [2,0,0,0,0,0|1,1,0]=4 1609 B3R0.1 NCCN MCULE-4740333723 [2,0,0,0,0,0|2,0,0]=4 1610 B3R0.1 NCCN MCULE-6795272853 [2,0,0,0,0,0|2,0,0]=4 1611 B3R0.1 NCCN MCULE-8304126024 [2,0,0,0,0,0|2,0,0]=4 1612 B3R0.1 NCCN MCULE-8325612144 [2,0,0,0,0,0|2,0,0]=4 1613 B3R0.1 NCCO MCULE-5175116598 [2,0,0,0,0,0|1,0,0]=3 1614 B3R0.1 NCCO MCULE-8624730373 [2,0,0,0,0,0|1,0,0]=3 1615 B3R0.1 NCCS MCULE-1838427828 [2,0,0,0,0,0|1,1,0]=4 1616 B3R0.1 NCCS MCULE-2418938683 [2,0,0,0,0,0|1,1,0]=4 1617 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|0,0,2]=4 1618 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|2,0,0]=4 1619 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|2,0,0]=4 1620 B3R0.1 OCCBr MCULE-5097256006 [2,0,0,0,0,0|0,0,0]=2 1621 B3R0.1 OCCCl MCULE-5139580173 [2,0,0,0,0,0|0,1,0]=3 1622 B3R0.1 OCCF MCULE-7590677201 [2,0,0,0,0,0|0,1,0]=3 1623 B3R0.1 OCCI MCULE-8359750387 [2,0,0,0,0,0|0,1,0]=3 1624 B3R0.1 OCCO MCULE-6366313128 [2,0,0,0,0,0|1,0,0]=3 1625 B3R0.1 OCCS MCULE-2252943288 [2,0,0,0,0,0|1,0,0]=3 1626 B3R0.1 PCCP MCULE-2159678577 [2,0,0,0,0,0|2,0,0]=4 1627 B3R0.1 SCCBr MCULE-5899941299 [2,0,0,0,0,0|0,1,0]=3 1628 B3R0.1 SCCS MCULE-8277435664 [2,0,0,0,0,0|1,1,0]=4 1629 B3R0.1 [NH3+]CCS MCULE-6407472407 [2,0,0,0,0,0|1,1,0]=4 1630 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [2,0,0,0,0,0|2,0,0]=4 1631 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|0,0,0]=2 1632 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|1,0,0]=3 1633 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|0,1,0]=3 1634 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|0,1,0]=3 1635 B3R0.2 C=C(Cl)Cl MCULE-1430323756 [2,0,0,0,0,0|1,1,0]=4 1636 B3R0.2 C=C(F)Cl MCULE-8528897253 [2,0,0,0,0,0|1,1,0]=4 1637 B3R0.2 C=C(F)F MCULE-2471767745 [2,0,0,0,0,0|1,1,0]=4 1638 B3R0.2 C=[N+](C)C MCULE-4450980212 [2,0,0,0,0,0|2,0,0]=4 1639 B3R0.2 C=[N+](C)C MCULE-5309464837 [2,0,0,0,0,0|2,0,0]=4 1640 B3R0.2 C=[N+](C)C MCULE-9321779445 [2,0,0,0,0,0|2,0,0]=4 1641 B3R0.2 CC(=N)N MCULE-3235425606 [2,0,0,0,0,0|2,0,0]=4 1642 B3R0.2 CC(=N)N MCULE-3546679379 [2,0,0,0,0,0|2,0,0]=4 1643 B3R0.2 CC(=N)N MCULE-3597638887 [2,0,0,0,0,0|2,0,0]=4 1644 B3R0.2 CC(=N)N MCULE-9831274654 [2,0,0,0,0,0|2,0,0]=4 1645 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|1,0,0]=3 1646 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|1,0,1]=4 1647 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|1,1,0]=4 1648 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|1,1,0]=4 1649 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|2,0,0]=4 1650 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|1,0,1]=4 1651 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|1,0,1]=4 1652 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|1,0,1]=4 1653 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|1,0,1]=4 1654 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|1,0,1]=4 1655 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|1,0,1]=4 1656 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|1,0,1]=4 1657 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|2,0,0]=4 1658 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|2,0,0]=4 1659 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|2,0,0]=4 1660 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|2,0,0]=4 1661 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|2,0,0]=4 1662 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|2,0,0]=4 1663 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|2,0,0]=4 1664 B3R0.2 CC(=S)N MCULE-4635097605 [2,0,0,0,0,0|2,0,0]=4 1665 B3R0.2 CC(=S)[O-] MCULE-1878530758 [2,0,0,0,0,0|2,0,0]=4 1666 B3R0.2 CC(Br)Br MCULE-3156450089 [2,0,0,0,0,0|1,0,1]=4 1667 B3R0.2 CC(C)Br MCULE-4068304617 [2,0,0,0,0,0|0,0,2]=4 1668 B3R0.2 CC(Cl)Br MCULE-6166388747 [2,0,0,0,0,0|1,0,1]=4 1669 B3R0.2 C[S+](C)Br MCULE-2734391695 [2,0,0,0,0,0|1,0,1]=4 1670 B3R0.2 C[S+](C)Br MCULE-6411921824 [2,0,0,0,0,0|1,0,1]=4 1671 B3R0.2 NC(=O)O MCULE-1579038047 [2,0,0,0,0,0|2,0,0]=4 1672 B3R0.2 NC(=O)O MCULE-3232812015 [2,0,0,0,0,0|2,0,0]=4 1673 B3R0.2 O=C(O)O MCULE-3743781291 [2,0,0,0,0,0|2,0,0]=4 1674 B3R0.2 O=C(O)O MCULE-6373078171 [2,0,0,0,0,0|2,0,0]=4 1675 B3R0.2 O=C([O-])O MCULE-5529655359 [2,0,0,0,0,0|2,0,0]=4 1676 B3R0.2 O=C([O-])O MCULE-7293729150 [2,0,0,0,0,0|2,0,0]=4 1677 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,1,0,0,0,0|1,0,1]=4 1678 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,1,0,0,0,0|1,0,0]=3 1679 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,1,0,0,0,0|1,0,1]=4 1680 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,1,0,0,0,0|1,0,0]=3 1681 B5R0.3 C=C(C#N)CBr MCULE-5784758688 [1,1,0,0,0,0|1,0,1]=4 1682 B5R0.3 C=C(C#N)CCl MCULE-7893676781 [1,1,0,0,0,0|2,0,0]=4 1683 B5R0.3 C=C(C#N)CO MCULE-4330549804 [1,1,0,0,0,0|1,0,0]=3 1684 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,1,0,0,0,0|1,0,0]=3 1685 B5R0.3 C=C(CBr)CBr MCULE-2855078657 [1,1,0,0,0,0|1,0,0]=3 1686 B5R0.3 C=C(CC)CBr MCULE-1652422688 [1,1,0,0,0,0|0,0,0]=2 1687 B5R0.3 C=C(CC)CC MCULE-9174509622 [1,1,0,0,0,0|1,0,0]=3 1688 B5R0.3 C=C(CC)CN MCULE-2269385026 [1,1,0,0,0,0|1,0,0]=3 1689 B5R0.3 C=C(CC)CN MCULE-3033447984 [1,1,0,0,0,0|1,0,0]=3 1690 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,1,0,0,0,0|1,0,0]=3 1691 B5R0.3 C=C(CCl)CCl MCULE-2574913289 [1,1,0,0,0,0|1,1,0]=4 1692 B5R0.3 C=C(CI)CI MCULE-7592017619 [1,1,0,0,0,0|1,1,0]=4 1693 B5R0.3 C=C(CN)CN MCULE-5063132725 [1,1,0,0,0,0|2,0,0]=4 1694 B5R0.3 C=C(CO)CBr MCULE-9563589949 [1,1,0,0,0,0|0,0,0]=2 1695 B5R0.3 C=C(CO)CO MCULE-2682601949 [1,1,0,0,0,0|1,0,0]=3 1696 B5R0.3 C=C(SC)SC MCULE-8497326619 [1,1,0,0,0,0|2,0,0]=4 1697 B5R0.3 C=C/C(=C/C)/C MCULE-6445909882 [1,1,0,0,0,0|1,0,1]=4 1698 B5R0.3 C=CC(=CC)C MCULE-8585683674 [1,1,0,0,0,0|1,0,1]=4 1699 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,1,0,0,0,0|1,0,0]=3 1700 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,1,0,0,0,0|2,0,0]=4 1701 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,1,0,0,0,0|2,0,0]=4 1702 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,1,0,0,0,0|2,0,0]=4 1703 B5R0.3 C=CC(C)CC MCULE-8112547661 [1,1,0,0,0,0|1,0,1]=4 1704 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,1,0,0,0,0|1,0,1]=4 1705 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,1,0,0,0,0|1,0,1]=4 1706 B5R0.3 C=CC(N)CO MCULE-2457433196 [1,1,0,0,0,0|1,0,1]=4 1707 B5R0.3 C=CC(N)CO MCULE-6697949182 [1,1,0,0,0,0|1,0,1]=4 1708 B5R0.3 C=CC(N)CO MCULE-7137123222 [1,1,0,0,0,0|1,0,1]=4 1709 B5R0.3 C=CC(N)CO MCULE-8388687355 [1,1,0,0,0,0|1,0,1]=4 1710 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,1,0,0,0,0|1,0,1]=4 1711 B5R0.3 C=CC(O)CO MCULE-6172654550 [1,1,0,0,0,0|1,0,1]=4 1712 B5R0.3 C=C[C@@H](N)CO MCULE-1000343618 [1,1,0,0,0,0|1,0,1]=4 1713 B5R0.3 C=C[C@@H](N)CO MCULE-1074988940 [1,1,0,0,0,0|1,0,1]=4 1714 B5R0.3 C=C[C@@H](N)CO MCULE-3685491078 [1,1,0,0,0,0|1,0,1]=4 1715 B5R0.3 C=C[C@@H](N)CO MCULE-4969611575 [1,1,0,0,0,0|1,0,1]=4 1716 B5R0.3 C=C[C@@H](O)CO MCULE-5957455616 [1,1,0,0,0,0|1,0,1]=4 1717 B5R0.3 C=C[C@H](N)CO MCULE-2834725512 [1,1,0,0,0,0|1,0,1]=4 1718 B5R0.3 C=C[C@H](N)CO MCULE-3281738311 [1,1,0,0,0,0|1,0,1]=4 1719 B5R0.3 C=C[C@H](N)CO MCULE-3551585090 [1,1,0,0,0,0|1,0,1]=4 1720 B5R0.3 C=C[C@H](N)CO MCULE-9055556349 [1,1,0,0,0,0|1,0,1]=4 1721 B5R0.3 C=C[C@H](O)CO MCULE-6068203844 [1,1,0,0,0,0|1,0,1]=4 1722 B5R0.3 C=C[C@H](O)CO MCULE-9367072182 [1,1,0,0,0,0|1,0,1]=4 1723 B5R0.3 CC(=CCl)CCl MCULE-2732105685 [1,1,0,0,0,0|2,0,0]=4 1724 B5R0.3 CC(=CI)CI MCULE-3347686188 [1,1,0,0,0,0|2,0,0]=4 1725 B5R0.3 CC(=CI)CO MCULE-8491569199 [1,1,0,0,0,0|1,0,0]=3 1726 B5R0.3 CC(CO)CBr MCULE-3815333295 [1,1,0,0,0,0|0,0,2]=4 1727 B5R0.3 CC(CO)CBr MCULE-5695891877 [1,1,0,0,0,0|0,0,2]=4 1728 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [1,1,0,0,0,0|1,0,1]=4 1729 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,1,0,0,0,0|2,0,0]=4 1730 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,1,0,0,0,0|2,0,0]=4 1731 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [1,1,0,0,0,0|0,0,1]=3 1732 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,1,0,0,0,0|1,0,1]=4 1733 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,1,0,0,0,0|1,0,0]=3 1734 B5R0.3 CC=C(C)CCl MCULE-2444762050 [1,1,0,0,0,0|2,0,0]=4 1735 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,1,0,0,0,0|1,0,1]=4 1736 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,1,0,0,0,0|1,0,1]=4 1737 B5R0.3 CCC(=NO)C MCULE-1859652505 [1,1,0,0,0,0|1,0,1]=4 1738 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,1,0,0,0,0|1,0,0]=3 1739 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,1,0,0,0,0|1,0,1]=4 1740 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,1,0,0,0,0|1,0,1]=4 1741 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,1,0,0,0,0|1,0,1]=4 1742 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,1,0,0,0,0|1,0,1]=4 1743 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,1,0,0,0,0|1,0,1]=4 1744 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,1,0,0,0,0|1,0,1]=4 1745 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,1,0,0,0,0|2,0,0]=4 1746 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,1,0,0,0,0|2,0,0]=4 1747 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,1,0,0,0,0|1,0,1]=4 1748 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,1,0,0,0,0|1,0,1]=4 1749 B5R0.3 CCC(Br)C#N MCULE-4015907163 [1,1,0,0,0,0|0,0,2]=4 1750 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,1,0,0,0,0|0,0,1]=3 1751 B5R0.3 CCC(Br)CBr MCULE-5254958560 [1,1,0,0,0,0|0,0,2]=4 1752 B5R0.3 CCC(Br)CC MCULE-7435628721 [1,1,0,0,0,0|0,0,2]=4 1753 B5R0.3 CCC(Br)CO MCULE-7211805716 [1,1,0,0,0,0|0,0,2]=4 1754 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,1,0,0,0,0|1,0,1]=4 1755 B5R0.3 CCC(C)CBr MCULE-5451416952 [1,1,0,0,0,0|0,0,2]=4 1756 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,1,0,0,0,0|0,1,1]=4 1757 B5R0.3 CCC(F)CBr MCULE-3226052264 [1,1,0,0,0,0|1,0,1]=4 1758 B5R0.3 CCC(N)CBr MCULE-3567691924 [1,1,0,0,0,0|1,0,1]=4 1759 B5R0.3 CCC(O)CBr MCULE-4205031860 [1,1,0,0,0,0|1,0,1]=4 1760 B5R0.3 CCC([NH3+])CBr MCULE-6971158198 [1,1,0,0,0,0|1,0,1]=4 1761 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,1,0,0,0,0|2,0,0]=4 1762 B5R0.3 CC[C@@H](C)CBr MCULE-5675886072 [1,1,0,0,0,0|0,0,2]=4 1763 B5R0.3 CC[C@H](C)CBr MCULE-3263714447 [1,1,0,0,0,0|0,0,2]=4 1764 B5R0.3 CC[C@H](C)CBr MCULE-3384648570 [1,1,0,0,0,0|0,0,2]=4 1765 B5R0.3 CNC(=N)CO MCULE-3239749882 [1,1,0,0,0,0|1,0,1]=4 1766 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,1,0,0,0,0|2,0,0]=4 1767 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,1,0,0,0,0|1,0,1]=4 1768 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,1,0,0,0,0|2,0,0]=4 1769 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,1,0,0,0,0|2,0,0]=4 1770 B5R0.3 COC(=O)CO MCULE-8734582763 [1,1,0,0,0,0|1,0,1]=4 1771 B5R0.3 C[C@@H](CO)CBr MCULE-3691541800 [1,1,0,0,0,0|0,0,2]=4 1772 B5R0.3 C[C@@H](CO)CBr MCULE-4447849056 [1,1,0,0,0,0|0,0,2]=4 1773 B5R0.3 C[C@H](CO)CBr MCULE-4031825779 [1,1,0,0,0,0|0,0,2]=4 1774 B5R0.3 C[C@H](CO)CBr MCULE-6846167456 [1,1,0,0,0,0|0,0,2]=4 1775 B5R0.3 Cl/C=C(\Cl)/CCl MCULE-8945457634 [1,1,0,0,0,0|1,1,0]=4 1776 B5R0.3 ClC=C(Cl)CCl MCULE-5187224514 [1,1,0,0,0,0|1,1,0]=4 1777 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [1,1,0,0,0,0|2,0,0]=4 1778 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,1,0,0,0,0|2,0,0]=4 1779 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [1,1,0,0,0,0|2,0,0]=4 1780 B5R0.3 O=C(CO)CO MCULE-7188810449 [1,1,0,0,0,0|1,0,1]=4 1781 B5R0.3 O=CC(=CO)Br MCULE-8777401868 [1,1,0,0,0,0|0,0,1]=3 1782 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,1,0,0,0,0|1,0,0]=3 1783 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,1,0,0,0,0|1,0,1]=4 1784 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,1,0,0,0,0|1,0,1]=4 1785 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,1,0,0,0,0|1,0,1]=4 1786 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,1,0,0,0,0|1,0,1]=4 1787 B5R0.3 OCC(Br)CBr MCULE-9616107956 [1,1,0,0,0,0|0,0,2]=4 1788 B5R0.3 OCC(Br)CO MCULE-9272628834 [1,1,0,0,0,0|0,0,2]=4 1789 B5R0.3 OCC(F)CBr MCULE-2889937576 [1,1,0,0,0,0|1,0,1]=4 1790 B5R0.3 OCC(O)CBr MCULE-9116190245 [1,1,0,0,0,0|1,0,1]=4 1791 B5R0.3 OC[C@H](O)CBr MCULE-5035020863 [1,1,0,0,0,0|1,0,1]=4 1792 B5R0.4 CC(C)(Br)CO MCULE-5949221311 [1,1,0,0,0,0|0,0,2]=4 1793 B5R0.4 CCC(C)(C)Br MCULE-8895489875 [1,1,0,0,0,0|0,0,2]=4 1794 B5R0.4 OCC(Br)(Br)Br MCULE-9737115042 [1,1,0,0,0,0|1,0,1]=4 1795 B5R0.4 OCC(F)(F)Br MCULE-8857421613 [1,1,0,0,0,0|1,0,1]=4 1796 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [1,1,0,0,0,0|0,0,1]=3 1797 B5R0.5 C=C(C)B(O)O MCULE-1381151629 [1,1,0,0,0,0|2,0,0]=4 1798 B5R0.5 C=C(C)C(=C)C MCULE-6799765242 [1,1,0,0,0,0|1,0,1]=4 1799 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,1,0,0,0,0|1,0,1]=4 1800 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,1,0,0,0,0|1,0,1]=4 1801 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [1,1,0,0,0,0|1,0,0]=3 1802 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [1,1,0,0,0,0|1,0,0]=3 1803 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,1,0,0,0,0|1,0,0]=3 1804 B5R0.5 C=C(C)C(Cl)Cl MCULE-4460311331 [1,1,0,0,0,0|2,0,0]=4 1805 B5R0.5 C=C(C)C(Cl)Cl MCULE-5923487420 [1,1,0,0,0,0|2,0,0]=4 1806 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [1,1,0,0,0,0|0,1,1]=4 1807 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [1,1,0,0,0,0|0,1,1]=4 1808 B5R0.5 C=C(F)C(F)F MCULE-9790446391 [1,1,0,0,0,0|1,1,0]=4 1809 B5R0.5 CC(=C(C)Br)C MCULE-2244219065 [1,1,0,0,0,0|0,0,2]=4 1810 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,1,0,0,0,0|1,0,1]=4 1811 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,1,0,0,0,0|1,0,1]=4 1812 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,1,0,0,0,0|1,0,1]=4 1813 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,1,0,0,0,0|1,0,1]=4 1814 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,1,0,0,0,0|1,0,1]=4 1815 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,1,0,0,0,0|1,0,1]=4 1816 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,1,0,0,0,0|1,0,1]=4 1817 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,1,0,0,0,0|1,0,1]=4 1818 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,1,0,0,0,0|1,0,1]=4 1819 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,1,0,0,0,0|1,0,1]=4 1820 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,1,0,0,0,0|1,0,1]=4 1821 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,1,0,0,0,0|1,0,1]=4 1822 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,1,0,0,0,0|1,0,0]=3 1823 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,1,0,0,0,0|1,1,0]=4 1824 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,1,0,0,0,0|2,0,0]=4 1825 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,1,0,0,0,0|2,0,0]=4 1826 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,1,0,0,0,0|2,0,0]=4 1827 B5R0.5 CC(Br)C(C)Br MCULE-8272754345 [1,1,0,0,0,0|0,0,2]=4 1828 B5R0.5 CC(Br)C(Cl)Br MCULE-8471336753 [1,1,0,0,0,0|1,0,1]=4 1829 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [1,1,0,0,0,0|2,0,0]=4 1830 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [1,1,0,0,0,0|2,0,0]=4 1831 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,1,0,0,0,0|1,0,0]=3 1832 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,1,0,0,0,0|1,1,0]=4 1833 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,1,0,0,0,0|2,0,0]=4 1834 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,1,0,0,0,0|2,0,0]=4 1835 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,1,0,0,0,0|2,0,0]=4 1836 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,1,0,0,0,0|2,0,0]=4 1837 B5R0.5 CC(C)C(C)Br MCULE-8934980523 [1,1,0,0,0,0|0,0,2]=4 1838 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [1,1,0,0,0,0|2,0,0]=4 1839 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [1,1,0,0,0,0|2,0,0]=4 1840 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,1,0,0,0,0|1,1,0]=4 1841 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,1,0,0,0,0|2,0,0]=4 1842 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,1,0,0,0,0|2,0,0]=4 1843 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,1,0,0,0,0|2,0,0]=4 1844 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,1,0,0,0,0|2,0,0]=4 1845 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,1,0,0,0,0|2,0,0]=4 1846 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,1,0,0,0,0|2,0,0]=4 1847 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,1,0,0,0,0|2,0,0]=4 1848 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,1,0,0,0,0|2,0,0]=4 1849 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,1,0,0,0,0|2,0,0]=4 1850 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,1,0,0,0,0|2,0,0]=4 1851 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,1,0,0,0,0|2,0,0]=4 1852 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,1,0,0,0,0|2,0,0]=4 1853 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,1,0,0,0,0|2,0,0]=4 1854 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,1,0,0,0,0|2,0,0]=4 1855 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,1,0,0,0,0|2,0,0]=4 1856 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,1,0,0,0,0|2,0,0]=4 1857 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,1,0,0,0,0|2,0,0]=4 1858 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,1,0,0,0,0|2,0,0]=4 1859 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,1,0,0,0,0|2,0,0]=4 1860 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,1,0,0,0,0|2,0,0]=4 1861 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,1,0,0,0,0|2,0,0]=4 1862 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,1,0,0,0,0|2,0,0]=4 1863 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,1,0,0,0,0|2,0,0]=4 1864 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,1,0,0,0,0|2,0,0]=4 1865 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [1,1,0,0,0,0|0,0,2]=4 1866 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,1,0,0,0,0|2,0,0]=4 1867 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,1,0,0,0,0|2,0,0]=4 1868 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,1,0,0,0,0|2,0,0]=4 1869 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,1,0,0,0,0|2,0,0]=4 1870 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,1,0,0,0,0|1,1,0]=4 1871 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,1,0,0,0,0|2,0,0]=4 1872 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,1,0,0,0,0|2,0,0]=4 1873 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,1,0,0,0,0|2,0,0]=4 1874 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,1,0,0,0,0|2,0,0]=4 1875 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,1,0,0,0,0|2,0,0]=4 1876 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,1,0,0,0,0|2,0,0]=4 1877 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,1,0,0,0,0|2,0,0]=4 1878 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,1,0,0,0,0|2,0,0]=4 1879 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,1,0,0,0,0|2,0,0]=4 1880 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,1,0,0,0,0|2,0,0]=4 1881 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,1,0,0,0,0|2,0,0]=4 1882 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,1,0,0,0,0|2,0,0]=4 1883 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,1,0,0,0,0|2,0,0]=4 1884 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,1,0,0,0,0|2,0,0]=4 1885 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,1,0,0,0,0|2,0,0]=4 1886 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,1,0,0,0,0|2,0,0]=4 1887 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,1,0,0,0,0|2,0,0]=4 1888 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,1,0,0,0,0|2,0,0]=4 1889 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,1,0,0,0,0|2,0,0]=4 1890 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,1,0,0,0,0|2,0,0]=4 1891 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,1,0,0,0,0|1,1,0]=4 1892 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,1,0,0,0,0|2,0,0]=4 1893 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,1,0,0,0,0|2,0,0]=4 1894 B5R0.5 C[C@H](Br)[C@@H](C)Br MCULE-7263507123 [1,1,0,0,0,0|0,0,2]=4 1895 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,1,0,0,0,0|2,0,0]=4 1896 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,1,0,0,0,0|2,0,0]=4 1897 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,1,0,0,0,0|2,0,0]=4 1898 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,1,0,0,0,0|2,0,0]=4 1899 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,1,0,0,0,0|2,0,0]=4 1900 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,1,0,0,0,0|2,0,0]=4 1901 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,1,0,0,0,0|2,0,0]=4 1902 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,1,0,0,0,0|2,0,0]=4 1903 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,1,0,0,0,0|2,0,0]=4 1904 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,1,0,0,0,0|2,0,0]=4 1905 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,1,0,0,0,0|2,0,0]=4 1906 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,1,0,0,0,0|2,0,0]=4 1907 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,1,0,0,0,0|2,0,0]=4 1908 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,1,0,0,0,0|2,0,0]=4 1909 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,1,0,0,0,0|2,0,0]=4 1910 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,1,0,0,0,0|2,0,0]=4 1911 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,1,0,0,0,0|2,0,0]=4 1912 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,1,0,0,0,0|2,0,0]=4 1913 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,1,0,0,0,0|2,0,0]=4 1914 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,1,0,0,0,0|2,0,0]=4 1915 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,1,0,0,0,0|2,0,0]=4 1916 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,1,0,0,0,0|2,0,0]=4 1917 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,1,0,0,0,0|2,0,0]=4 1918 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,1,0,0,0,0|2,0,0]=4 1919 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,1,0,0,0,0|2,0,0]=4 1920 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,1,0,0,0,0|2,0,0]=4 1921 B5R0.2 BrC/C=C/CBr MCULE-9004545331 [1,1,0,0,0,0|1,0,1]=4 1922 B5R0.2 BrCC=CCBr MCULE-4240565660 [1,1,0,0,0,0|1,0,1]=4 1923 B5R0.2 BrCCCCBr MCULE-5088378536 [1,1,0,0,0,0|1,0,1]=4 1924 B5R0.2 C#CCCC=C MCULE-4858099861 [1,1,0,0,0,0|1,0,0]=3 1925 B5R0.2 C#CCCC=O MCULE-9994552907 [1,1,0,0,0,0|2,0,0]=4 1926 B5R0.2 C#CCCCBr MCULE-3834416844 [1,1,0,0,0,0|1,0,1]=4 1927 B5R0.2 C#CCCCO MCULE-6360852809 [1,1,0,0,0,0|0,0,2]=4 1928 B5R0.2 C#CCCOC MCULE-7152168835 [1,1,0,0,0,0|0,0,2]=4 1929 B5R0.2 C/C=C/CC#N MCULE-3707973146 [1,1,0,0,0,0|1,0,1]=4 1930 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,1,0,0,0,0|1,0,0]=3 1931 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,1,0,0,0,0|0,0,0]=2 1932 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,1,0,0,0,0|2,0,0]=4 1933 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,1,0,0,0,0|1,0,0]=3 1934 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,1,0,0,0,0|1,0,1]=4 1935 B5R0.2 C=C=CCCBr MCULE-5561919067 [1,1,0,0,0,0|1,0,0]=3 1936 B5R0.2 C=C=CCCI MCULE-7583015374 [1,1,0,0,0,0|1,0,0]=3 1937 B5R0.2 C=C=CCCN MCULE-5814175873 [1,1,0,0,0,0|1,0,0]=3 1938 B5R0.2 C=C=CCCN MCULE-8177198091 [1,1,0,0,0,0|1,0,0]=3 1939 B5R0.2 C=C=CCCO MCULE-1054355649 [1,1,0,0,0,0|0,0,0]=2 1940 B5R0.2 C=CC#CCO MCULE-5199716906 [1,1,0,0,0,0|0,0,1]=3 1941 B5R0.2 C=CC/C=C/C MCULE-8732875285 [1,1,0,0,0,0|1,0,1]=4 1942 B5R0.2 C=CCC=CC MCULE-8643449832 [1,1,0,0,0,0|1,0,1]=4 1943 B5R0.2 C=CCCC#N MCULE-8967750268 [1,1,0,0,0,0|1,0,0]=3 1944 B5R0.2 C=CCCC=C MCULE-2599309974 [1,1,0,0,0,0|1,0,0]=3 1945 B5R0.2 C=CCCC=O MCULE-7850336174 [1,1,0,0,0,0|0,0,1]=3 1946 B5R0.2 C=CCCCBr MCULE-5027518679 [1,1,0,0,0,0|1,0,0]=3 1947 B5R0.2 C=CCCCC MCULE-4750698031 [1,1,0,0,0,0|1,0,0]=3 1948 B5R0.2 C=CCCCCl MCULE-3877430809 [1,1,0,0,0,0|1,0,0]=3 1949 B5R0.2 C=CCCCI MCULE-8692831514 [1,1,0,0,0,0|1,0,0]=3 1950 B5R0.2 C=CCCCN MCULE-5787926547 [1,1,0,0,0,0|1,0,0]=3 1951 B5R0.2 C=CCCCN MCULE-7346989227 [1,1,0,0,0,0|1,0,0]=3 1952 B5R0.2 C=CCCCO MCULE-5946342321 [1,1,0,0,0,0|0,0,0]=2 1953 B5R0.2 C=CCCNC MCULE-2124263362 [1,1,0,0,0,0|1,0,0]=3 1954 B5R0.2 C=CCCNC MCULE-5024925990 [1,1,0,0,0,0|1,0,0]=3 1955 B5R0.2 C=CCCOC MCULE-4681354270 [1,1,0,0,0,0|0,0,0]=2 1956 B5R0.2 C=CCCON MCULE-3476228435 [1,1,0,0,0,0|0,0,0]=2 1957 B5R0.2 C=CCCON MCULE-9206052895 [1,1,0,0,0,0|0,0,0]=2 1958 B5R0.2 C=CCN=C=O MCULE-3142552406 [1,1,0,0,0,0|0,0,2]=4 1959 B5R0.2 C=CCN=C=S MCULE-3404572895 [1,1,0,0,0,0|0,1,1]=4 1960 B5R0.2 C=CCN=N#N MCULE-5243443585 [1,1,0,0,0,0|2,0,0]=4 1961 B5R0.2 C=CCNC=O MCULE-1911798514 [1,1,0,0,0,0|0,0,2]=4 1962 B5R0.2 C=CCNCC MCULE-6987567673 [1,1,0,0,0,0|1,0,0]=3 1963 B5R0.2 C=CCNCC MCULE-8318544337 [1,1,0,0,0,0|1,0,0]=3 1964 B5R0.2 C=CCOC=C MCULE-7085070702 [1,1,0,0,0,0|1,0,1]=4 1965 B5R0.2 C=CCOC=O MCULE-4161785970 [1,1,0,0,0,0|0,0,2]=4 1966 B5R0.2 C=CCOCC MCULE-4363356618 [1,1,0,0,0,0|1,0,0]=3 1967 B5R0.2 C=CCOCCl MCULE-6656252526 [1,1,0,0,0,0|1,0,0]=3 1968 B5R0.2 C=CCONC MCULE-4537899476 [1,1,0,0,0,0|2,0,0]=4 1969 B5R0.2 C=CCONC MCULE-9645204142 [1,1,0,0,0,0|2,0,0]=4 1970 B5R0.2 C=CCSC#N MCULE-9515980614 [1,1,0,0,0,0|1,0,1]=4 1971 B5R0.2 C=CCSCC MCULE-3816911529 [1,1,0,0,0,0|1,0,0]=3 1972 B5R0.2 C=CCSSC MCULE-8417830164 [1,1,0,0,0,0|1,1,0]=4 1973 B5R0.2 C=COCCC MCULE-4423853666 [1,1,0,0,0,0|1,0,0]=3 1974 B5R0.2 C=COCCCl MCULE-7782311030 [1,1,0,0,0,0|1,0,0]=3 1975 B5R0.2 C=COCCN MCULE-8052872924 [1,1,0,0,0,0|1,0,0]=3 1976 B5R0.2 C=COCCN MCULE-8496820259 [1,1,0,0,0,0|1,0,0]=3 1977 B5R0.2 C=COCCO MCULE-9383372818 [1,1,0,0,0,0|0,0,0]=2 1978 B5R0.2 CC#CCCO MCULE-9400138491 [1,1,0,0,0,0|0,0,2]=4 1979 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,1,0,0,0,0|1,0,1]=4 1980 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,1,0,0,0,0|0,0,2]=4 1981 B5R0.2 CC=CCC#N MCULE-6960681395 [1,1,0,0,0,0|1,0,1]=4 1982 B5R0.2 CC=CCCBr MCULE-7329159278 [1,1,0,0,0,0|1,0,0]=3 1983 B5R0.2 CC=CCCC MCULE-8736231124 [1,1,0,0,0,0|1,0,0]=3 1984 B5R0.2 CC=CCCN MCULE-5129102475 [1,1,0,0,0,0|1,0,0]=3 1985 B5R0.2 CC=CCCN MCULE-8500001929 [1,1,0,0,0,0|1,0,0]=3 1986 B5R0.2 CC=CCCO MCULE-4302367089 [1,1,0,0,0,0|0,0,0]=2 1987 B5R0.2 CC=COCC MCULE-1473170404 [1,1,0,0,0,0|2,0,0]=4 1988 B5R0.2 CCC=CC=O MCULE-1318250395 [1,1,0,0,0,0|1,0,1]=4 1989 B5R0.2 CCC=CCBr MCULE-5326763881 [1,1,0,0,0,0|1,0,1]=4 1990 B5R0.2 CCC=CCO MCULE-5633399984 [1,1,0,0,0,0|0,0,2]=4 1991 B5R0.2 CCCC=NO MCULE-7364375780 [1,1,0,0,0,0|2,0,0]=4 1992 B5R0.2 CCCCC=O MCULE-4736782822 [1,1,0,0,0,0|1,0,1]=4 1993 B5R0.2 CCCCCBr MCULE-8513521912 [1,1,0,0,0,0|1,0,1]=4 1994 B5R0.2 CCCCCO MCULE-8714292632 [1,1,0,0,0,0|0,0,2]=4 1995 B5R0.2 CCCCNO MCULE-1911206569 [1,1,0,0,0,0|0,0,2]=4 1996 B5R0.2 CCCCNO MCULE-3820646216 [1,1,0,0,0,0|0,0,2]=4 1997 B5R0.2 CCCCOC MCULE-9814272675 [1,1,0,0,0,0|0,0,2]=4 1998 B5R0.2 CCCCON MCULE-7582349983 [1,1,0,0,0,0|0,0,2]=4 1999 B5R0.2 CCCCON MCULE-8175627798 [1,1,0,0,0,0|0,0,2]=4 2000 B5R0.2 CCCNC=O MCULE-6344556391 [1,1,0,0,0,0|2,0,0]=4 2001 B5R0.2 CCCOC=O MCULE-3133604529 [1,1,0,0,0,0|2,0,0]=4 2002 B5R0.2 CCCOCBr MCULE-3585683043 [1,1,0,0,0,0|1,0,1]=4 2003 B5R0.2 CCNCCO MCULE-2537734730 [1,1,0,0,0,0|0,0,2]=4 2004 B5R0.2 CCNCCO MCULE-3738714907 [1,1,0,0,0,0|0,0,2]=4 2005 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,1,0,0,0,0|1,0,1]=4 2006 B5R0.2 CCOC=CBr MCULE-5241125671 [1,1,0,0,0,0|1,0,1]=4 2007 B5R0.2 CCOCCBr MCULE-4818900555 [1,1,0,0,0,0|1,0,1]=4 2008 B5R0.2 CCOCCO MCULE-4311513289 [1,1,0,0,0,0|0,0,2]=4 2009 B5R0.2 CCSCC=O MCULE-8069035019 [1,1,0,0,0,0|2,0,0]=4 2010 B5R0.2 CCSCCBr MCULE-9449933342 [1,1,0,0,0,0|1,0,1]=4 2011 B5R0.2 CCSCCO MCULE-3557086162 [1,1,0,0,0,0|0,0,2]=4 2012 B5R0.2 CNCCCBr MCULE-3376600253 [1,1,0,0,0,0|1,0,1]=4 2013 B5R0.2 CNCCCBr MCULE-6212326106 [1,1,0,0,0,0|1,0,1]=4 2014 B5R0.2 CNCCCO MCULE-9530478547 [1,1,0,0,0,0|0,0,2]=4 2015 B5R0.2 CNCCOC MCULE-2857904484 [1,1,0,0,0,0|1,0,1]=4 2016 B5R0.2 CNCCOC MCULE-5342712496 [1,1,0,0,0,0|1,0,1]=4 2017 B5R0.2 COCCC#N MCULE-3009737584 [1,1,0,0,0,0|1,0,1]=4 2018 B5R0.2 COCCC=O MCULE-2812117208 [1,1,0,0,0,0|1,0,0]=3 2019 B5R0.2 COCCCBr MCULE-6489536401 [1,1,0,0,0,0|0,0,1]=3 2020 B5R0.2 COCCCCl MCULE-9192274624 [1,1,0,0,0,0|0,1,1]=4 2021 B5R0.2 COCCCF MCULE-5055725246 [1,1,0,0,0,0|0,1,1]=4 2022 B5R0.2 COCCCI MCULE-9111605439 [1,1,0,0,0,0|0,1,1]=4 2023 B5R0.2 COCCCN MCULE-1421362990 [1,1,0,0,0,0|1,0,1]=4 2024 B5R0.2 COCCCN MCULE-4783132205 [1,1,0,0,0,0|1,0,1]=4 2025 B5R0.2 COCCCO MCULE-4041418048 [1,1,0,0,0,0|0,0,2]=4 2026 B5R0.2 COCCCS MCULE-2371333731 [1,1,0,0,0,0|1,0,1]=4 2027 B5R0.2 COCCNN MCULE-2086510453 [1,1,0,0,0,0|2,0,0]=4 2028 B5R0.2 COCCNN MCULE-4830987822 [1,1,0,0,0,0|2,0,0]=4 2029 B5R0.2 COCCNN MCULE-8361975855 [1,1,0,0,0,0|2,0,0]=4 2030 B5R0.2 COCCOC MCULE-7572196731 [1,1,0,0,0,0|1,0,1]=4 2031 B5R0.2 COCCON MCULE-3507489398 [1,1,0,0,0,0|1,0,1]=4 2032 B5R0.2 COCCON MCULE-8506879697 [1,1,0,0,0,0|1,0,1]=4 2033 B5R0.2 COCCSC MCULE-5362054021 [1,1,0,0,0,0|1,0,1]=4 2034 B5R0.2 CONCCO MCULE-9787830121 [1,1,0,0,0,0|1,0,1]=4 2035 B5R0.2 CSCCC=O MCULE-6273241704 [1,1,0,0,0,0|1,1,0]=4 2036 B5R0.2 CSCCCBr MCULE-8399851816 [1,1,0,0,0,0|0,1,1]=4 2037 B5R0.2 CSCCCO MCULE-9232413185 [1,1,0,0,0,0|0,0,2]=4 2038 B5R0.2 CSCCON MCULE-9125601960 [1,1,0,0,0,0|1,0,1]=4 2039 B5R0.2 ClCCCCBr MCULE-7973194927 [1,1,0,0,0,0|1,0,1]=4 2040 B5R0.2 ClCOCCBr MCULE-6843473950 [1,1,0,0,0,0|1,0,1]=4 2041 B5R0.2 FCCCCBr MCULE-8408956872 [1,1,0,0,0,0|1,0,1]=4 2042 B5R0.2 N#CCCC=O MCULE-9521735106 [1,1,0,0,0,0|2,0,0]=4 2043 B5R0.2 N#CCCCBr MCULE-2664469446 [1,1,0,0,0,0|1,0,1]=4 2044 B5R0.2 N#CCCCO MCULE-2108386837 [1,1,0,0,0,0|0,0,2]=4 2045 B5R0.2 N#CCCON MCULE-4242787851 [1,1,0,0,0,0|1,0,1]=4 2046 B5R0.2 N#CCCON MCULE-9943219810 [1,1,0,0,0,0|1,0,1]=4 2047 B5R0.2 N#N=NCCO MCULE-6147827656 [1,1,0,0,0,0|2,0,0]=4 2048 B5R0.2 NCC=CCO MCULE-4993379992 [1,1,0,0,0,0|0,0,2]=4 2049 B5R0.2 NCCCCBr MCULE-7095299053 [1,1,0,0,0,0|1,0,1]=4 2050 B5R0.2 NCCCCBr MCULE-7716027825 [1,1,0,0,0,0|1,0,1]=4 2051 B5R0.2 NCCCCO MCULE-7395674091 [1,1,0,0,0,0|0,0,2]=4 2052 B5R0.2 NCCCON MCULE-1071170242 [1,1,0,0,0,0|1,0,1]=4 2053 B5R0.2 NCCCON MCULE-7767315563 [1,1,0,0,0,0|1,0,1]=4 2054 B5R0.2 NNCCCO MCULE-5557482626 [1,1,0,0,0,0|1,0,1]=4 2055 B5R0.2 NNCCCO MCULE-7351853032 [1,1,0,0,0,0|1,0,1]=4 2056 B5R0.2 NNCCCO MCULE-7919314403 [1,1,0,0,0,0|1,0,1]=4 2057 B5R0.2 NOC/C=C/Cl MCULE-3781481075 [1,1,0,0,0,0|0,1,1]=4 2058 B5R0.2 NOC/C=C/Cl MCULE-8874475488 [1,1,0,0,0,0|0,1,1]=4 2059 B5R0.2 NOCC=CCl MCULE-5233830243 [1,1,0,0,0,0|0,1,1]=4 2060 B5R0.2 NOCC=CCl MCULE-7677577759 [1,1,0,0,0,0|0,1,1]=4 2061 B5R0.2 NOCCCO MCULE-1072312935 [1,1,0,0,0,0|1,0,1]=4 2062 B5R0.2 NOCCCO MCULE-3715520109 [1,1,0,0,0,0|1,0,1]=4 2063 B5R0.2 NOCCCS MCULE-2063976508 [1,1,0,0,0,0|1,0,1]=4 2064 B5R0.2 NOCCCS MCULE-3464018652 [1,1,0,0,0,0|1,0,1]=4 2065 B5R0.2 NOCCON MCULE-2027662613 [1,1,0,0,0,0|2,0,0]=4 2066 B5R0.2 NOCCON MCULE-3458073239 [1,1,0,0,0,0|2,0,0]=4 2067 B5R0.2 O=CCCC=O MCULE-3362810468 [1,1,0,0,0,0|1,0,1]=4 2068 B5R0.2 O=CCCC=O MCULE-3813951568 [1,1,0,0,0,0|1,0,1]=4 2069 B5R0.2 O=CCCCBr MCULE-7239613396 [1,1,0,0,0,0|0,0,2]=4 2070 B5R0.2 O=CCCCCl MCULE-3011225716 [1,1,0,0,0,0|1,0,1]=4 2071 B5R0.2 O=CCCCI MCULE-3153720790 [1,1,0,0,0,0|1,0,1]=4 2072 B5R0.2 O=CCCCO MCULE-8728420992 [1,1,0,0,0,0|0,0,1]=3 2073 B5R0.2 O=CNCCO MCULE-3688614090 [1,1,0,0,0,0|1,0,0]=3 2074 B5R0.2 O=COCCO MCULE-1922672843 [1,1,0,0,0,0|1,0,0]=3 2075 B5R0.2 OC/C=C/CCl MCULE-4378785113 [1,1,0,0,0,0|0,0,2]=4 2076 B5R0.2 OC/C=C/CO MCULE-4752272005 [1,1,0,0,0,0|0,0,2]=4 2077 B5R0.2 OC/C=C\CO MCULE-2695577582 [1,1,0,0,0,0|0,0,2]=4 2078 B5R0.2 OC=CCCBr MCULE-3964604828 [1,1,0,0,0,0|1,0,0]=3 2079 B5R0.2 OC=CCCBr MCULE-5728835735 [1,1,0,0,0,0|1,0,0]=3 2080 B5R0.2 OCC#CCBr MCULE-1662147427 [1,1,0,0,0,0|0,0,2]=4 2081 B5R0.2 OCC=CCCl MCULE-7597942117 [1,1,0,0,0,0|0,0,2]=4 2082 B5R0.2 OCC=CCO MCULE-9559211408 [1,1,0,0,0,0|0,0,2]=4 2083 B5R0.2 OCCCCBr MCULE-9231591925 [1,1,0,0,0,0|0,0,1]=3 2084 B5R0.2 OCCCCCl MCULE-3507644812 [1,1,0,0,0,0|0,0,2]=4 2085 B5R0.2 OCCCCF MCULE-9242285588 [1,1,0,0,0,0|0,0,2]=4 2086 B5R0.2 OCCCCI MCULE-8723720522 [1,1,0,0,0,0|0,0,2]=4 2087 B5R0.2 OCCCCO MCULE-2010022287 [1,1,0,0,0,0|0,0,2]=4 2088 B5R0.2 OCCCCO MCULE-6551106098 [1,1,0,0,0,0|0,0,2]=4 2089 B5R0.2 OCCCCS MCULE-8169490949 [1,1,0,0,0,0|0,0,2]=4 2090 B5R0.2 OCCNCO MCULE-2141033453 [1,1,0,0,0,0|1,0,1]=4 2091 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,2,0,0,0,0|2,0,0]=4 2092 B7R0.2 C=C(C)CC(C)CC MCULE-1001667584 [0,2,0,0,0,0|2,0,0]=4 2093 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,2,0,0,0,0|1,0,0]=3 2094 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [0,2,0,0,0,0|2,0,0]=4 2095 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,2,0,0,0,0|2,0,0]=4 2096 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,2,0,0,0,0|1,0,1]=4 2097 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,2,0,0,0,0|1,0,1]=4 2098 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,2,0,0,0,0|1,0,1]=4 2099 B7R0.2 CC(C)CC(=O)CBr MCULE-3556695745 [0,2,0,0,0,0|2,0,0]=4 2100 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,2,0,0,0,0|2,0,0]=4 2101 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,2,0,0,0,0|1,0,1]=4 2102 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,2,0,0,0,0|2,0,0]=4 2103 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,2,0,0,0,0|1,0,1]=4 2104 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,2,0,0,0,0|1,0,1]=4 2105 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,2,0,0,0,0|1,0,1]=4 2106 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,2,0,0,0,0|1,0,1]=4 2107 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,2,0,0,0,0|1,0,1]=4 2108 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,2,0,0,0,0|1,0,1]=4 2109 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,2,0,0,0,0|2,0,0]=4 2110 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,2,0,0,0,0|2,0,0]=4 2111 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,2,0,0,0,0|2,0,0]=4 2112 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,2,0,0,0,0|2,0,0]=4 2113 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,2,0,0,0,0|2,0,0]=4 2114 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,2,0,0,0,0|2,0,0]=4 2115 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,2,0,0,0,0|2,0,0]=4 2116 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,2,0,0,0,0|2,0,0]=4 2117 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,2,0,0,0,0|2,0,0]=4 2118 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,2,0,0,0,0|2,0,0]=4 2119 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,2,0,0,0,0|2,0,0]=4 2120 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,2,0,0,0,0|2,0,0]=4 2121 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,2,0,0,0,0|2,0,0]=4 2122 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,2,0,0,0,0|2,0,0]=4 2123 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,2,0,0,0,0|2,0,0]=4 2124 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,2,0,0,0,0|2,0,0]=4 2125 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,2,0,0,0,0|2,0,0]=4 2126 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,2,0,0,0,0|2,0,0]=4 2127 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,2,0,0,0,0|2,0,0]=4 2128 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,2,0,0,0,0|2,0,0]=4 2129 B7R0.3 C=C(C#N)CCC#N MCULE-4037487026 [0,2,0,0,0,0|2,0,0]=4 2130 B7R0.3 C=C(C=O)CCC#N MCULE-3479954551 [0,2,0,0,0,0|2,0,0]=4 2131 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [0,2,0,0,0,0|2,0,0]=4 2132 B7R0.3 C=C(CC)CCCC MCULE-5118701402 [0,2,0,0,0,0|2,0,0]=4 2133 B7R0.3 C=C(CCl)OCOC MCULE-3049043061 [0,2,0,0,0,0|1,1,0]=4 2134 B7R0.3 C=CC(=C)CCCO MCULE-3558306961 [0,2,0,0,0,0|1,0,0]=3 2135 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [0,2,0,0,0,0|2,0,0]=4 2136 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [0,2,0,0,0,0|2,0,0]=4 2137 B7R0.3 C=CC(=O)NCCN MCULE-5552021639 [0,2,0,0,0,0|2,0,0]=4 2138 B7R0.3 C=CC(=O)NCCN MCULE-6417335153 [0,2,0,0,0,0|2,0,0]=4 2139 B7R0.3 C=CC(=O)NCCO MCULE-2036150536 [0,2,0,0,0,0|1,0,0]=3 2140 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [0,2,0,0,0,0|2,0,0]=4 2141 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [0,2,0,0,0,0|2,0,0]=4 2142 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [0,2,0,0,0,0|2,0,0]=4 2143 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [0,2,0,0,0,0|2,0,0]=4 2144 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [0,2,0,0,0,0|2,0,0]=4 2145 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [0,2,0,0,0,0|1,0,0]=3 2146 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [0,2,0,0,0,0|2,0,0]=4 2147 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [0,2,0,0,0,0|1,0,1]=4 2148 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [0,2,0,0,0,0|1,0,1]=4 2149 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [0,2,0,0,0,0|2,0,0]=4 2150 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [0,2,0,0,0,0|2,0,0]=4 2151 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [0,2,0,0,0,0|2,0,0]=4 2152 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [0,2,0,0,0,0|1,0,1]=4 2153 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [0,2,0,0,0,0|1,0,1]=4 2154 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [0,2,0,0,0,0|1,0,1]=4 2155 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [0,2,0,0,0,0|1,0,1]=4 2156 B7R0.3 COC(=O)CCCO MCULE-6149839873 [0,2,0,0,0,0|1,0,1]=4 2157 B7R0.3 COC(=O)NCCO MCULE-7141835204 [0,2,0,0,0,0|1,0,1]=4 2158 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [0,2,0,0,0,0|2,0,0]=4 2159 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [0,2,0,0,0,0|2,0,0]=4 2160 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [0,2,0,0,0,0|1,0,1]=4 2161 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,2,0,0,0,0|2,0,0]=4 2162 B7R0.3 COCCC(=O)OC MCULE-5918489580 [0,2,0,0,0,0|1,0,1]=4 2163 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [0,2,0,0,0,0|1,0,1]=4 2164 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [0,2,0,0,0,0|1,0,1]=4 2165 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [0,2,0,0,0,0|2,0,0]=4 2166 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [0,2,0,0,0,0|2,0,0]=4 2167 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [0,2,0,0,0,0|1,0,1]=4 2168 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [0,2,0,0,0,0|1,0,1]=4 2169 B7R0.5 C=C(Br)C(=O)OCC MCULE-3441307956 [0,2,0,0,0,0|1,0,1]=4 2170 B7R0.5 C=C(C)C(=O)NCO MCULE-2758821094 [0,2,0,0,0,0|1,0,1]=4 2171 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,2,0,0,0,0|2,0,0]=4 2172 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,2,0,0,0,0|1,0,0]=3 2173 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,2,0,0,0,0|1,0,1]=4 2174 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,2,0,0,0,0|0,1,1]=4 2175 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [0,2,0,0,0,0|1,0,1]=4 2176 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,2,0,0,0,0|1,0,1]=4 2177 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,2,0,0,0,0|1,0,1]=4 2178 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,2,0,0,0,0|1,0,1]=4 2179 B7R0.5 CCCC(=C(F)F)F MCULE-1831306144 [0,2,0,0,0,0|1,1,0]=4 2180 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,2,0,0,0,0|2,0,0]=4 2181 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,2,0,0,0,0|2,0,0]=4 2182 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,2,0,0,0,0|2,0,0]=4 2183 B7R0.5 CCCC(=O)C(C)Br MCULE-8743472868 [0,2,0,0,0,0|2,0,0]=4 2184 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,2,0,0,0,0|1,0,1]=4 2185 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,2,0,0,0,0|1,0,1]=4 2186 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,2,0,0,0,0|1,0,1]=4 2187 B7R0.5 CN(C)C(=O)CCO MCULE-8849440937 [0,2,0,0,0,0|1,0,1]=4 2188 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,2,0,0,0,0|2,0,0]=4 2189 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,2,0,0,0,0|1,0,1]=4 2190 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,2,0,0,0,0|2,0,0]=4 2191 B7R0.5 COCC(C)C(=S)N MCULE-6392999047 [0,2,0,0,0,0|2,0,0]=4 2192 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,2,0,0,0,0|2,0,0]=4 2193 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,2,0,0,0,0|2,0,0]=4 2194 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,2,0,0,0,0|2,0,0]=4 2195 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,2,0,0,0,0|2,0,0]=4 2196 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,2,0,0,0,0|2,0,0]=4 2197 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,2,0,0,0,0|2,0,0]=4 2198 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,2,0,0,0,0|2,0,0]=4 2199 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,2,0,0,0,0|2,0,0]=4 2200 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,2,0,0,0,0|2,0,0]=4 2201 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,2,0,0,0,0|2,0,0]=4 2202 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,2,0,0,0,0|2,0,0]=4 2203 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,2,0,0,0,0|2,0,0]=4 2204 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,2,0,0,0,0|2,0,0]=4 2205 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,2,0,0,0,0|2,0,0]=4 2206 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,2,0,0,0,0|2,0,0]=4 2207 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,2,0,0,0,0|2,0,0]=4 2208 B7R0.5 FC(=C(F)CCBr)F MCULE-7929300511 [0,2,0,0,0,0|1,1,0]=4 2209 B7R0.5 FC(=C(F)CCCl)F MCULE-5409145570 [0,2,0,0,0,0|1,1,0]=4 2210 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,2,0,0,0,0|1,0,1]=4 2211 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,2,0,0,0,0|1,0,1]=4 2212 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,2,0,0,0,0|1,0,1]=4 2213 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,2,0,0,0,0|2,0,0]=4 2214 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,2,0,0,0,0|2,0,0]=4 2215 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,2,0,0,0,0|1,0,1]=4 2216 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,2,0,0,0,0|1,0,1]=4 2217 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,2,0,0,0,0|1,0,1]=4 2218 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,2,0,0,0,0|1,0,1]=4 2219 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,2,0,0,0,0|1,0,1]=4 2220 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,2,0,0,0,0|1,0,1]=4 2221 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,2,0,0,0,0|1,0,1]=4 2222 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,2,0,0,0,0|1,0,1]=4 2223 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,2,0,0,0,0|1,0,1]=4 2224 B7R0.5 OCCC(=C(F)F)F MCULE-7760707196 [0,2,0,0,0,0|0,1,0]=3 2225 B7R0.7 C=C(CCBr)CCBr MCULE-2280580612 [0,2,0,0,0,0|1,0,0]=3 2226 B7R0.7 C=C(CCC)CCO MCULE-1774943854 [0,2,0,0,0,0|1,0,0]=3 2227 B7R0.7 C=CCN(C)CCO MCULE-5364416545 [0,2,0,0,0,0|2,0,0]=4 2228 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,2,0,0,0,0|2,0,0]=4 2229 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [0,2,0,0,0,0|1,0,1]=4 2230 B7R0.7 CCOC(=N)CCO MCULE-8135932013 [0,2,0,0,0,0|1,0,1]=4 2231 B7R0.7 CCOC(=N)CCO MCULE-9125708150 [0,2,0,0,0,0|1,0,1]=4 2232 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [0,2,0,0,0,0|1,0,1]=4 2233 B7R0.7 O=C(CCBr)CCBr MCULE-4794296091 [0,2,0,0,0,0|2,0,0]=4 2234 B7R0.7 O=C(CCO)CCO MCULE-8765223516 [0,2,0,0,0,0|1,0,1]=4 2235 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [0,2,0,0,0,0|2,0,0]=4 2236 B7R0.10 CNC(=O)C(N)CO MCULE-1507161216 [0,2,0,0,0,0|1,0,1]=4 2237 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [0,2,0,0,0,0|1,0,1]=4 2238 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [0,2,0,0,0,0|1,0,1]=4 2239 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [0,2,0,0,0,0|1,0,1]=4 2240 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [0,2,0,0,0,0|1,0,1]=4 2241 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [0,2,0,0,0,0|1,0,1]=4 2242 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [0,2,0,0,0,0|1,0,1]=4 2243 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,2,0,0,0,0|1,0,1]=4 2244 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,2,0,0,0,0|1,0,1]=4 2245 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,2,0,0,0,0|1,0,1]=4 2246 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,2,0,0,0,0|1,0,1]=4 2247 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,2,0,0,0,0|1,0,1]=4 2248 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,2,0,0,0,0|1,0,1]=4 2249 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [0,2,0,0,0,0|1,0,1]=4 2250 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [0,2,0,0,0,0|1,0,1]=4 2251 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [0,2,0,0,0,0|1,0,1]=4 2252 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [0,2,0,0,0,0|1,0,1]=4 2253 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,2,0,0,0,0|1,0,1]=4 2254 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,2,0,0,0,0|1,0,1]=4 2255 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,2,0,0,0,0|1,0,1]=4 2256 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,2,0,0,0,0|1,0,1]=4 2257 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,2,0,0,0,0|1,0,1]=4 2258 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,2,0,0,0,0|1,0,1]=4 2259 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [0,2,0,0,0,0|1,0,1]=4 2260 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [0,2,0,0,0,0|1,0,1]=4 2261 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [0,2,0,0,0,0|1,0,1]=4 2262 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,2,0,0,0,0|1,0,1]=4 2263 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,2,0,0,0,0|1,0,1]=4 2264 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,2,0,0,0,0|1,0,1]=4 2265 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,2,0,0,0,0|1,0,1]=4 2266 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,2,0,0,0,0|1,0,1]=4 2267 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,2,0,0,0,0|1,0,1]=4 2268 B7R0.10 NNC(=O)C(N)CO MCULE-3324075598 [0,2,0,0,0,0|2,0,0]=4 2269 B7R0.10 NNC(=O)C(N)CO MCULE-6651241883 [0,2,0,0,0,0|2,0,0]=4 2270 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,2,0,0,0,0|1,0,1]=4 2271 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,2,0,0,0,0|1,0,1]=4 2272 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,2,0,0,0,0|1,0,1]=4 2273 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,2,0,0,0,0|1,0,1]=4 2274 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [0,2,0,0,0,0|1,0,1]=4 2275 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [0,2,0,0,0,0|1,0,1]=4 2276 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [0,2,0,0,0,0|1,0,1]=4 2277 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [0,2,0,0,0,0|1,0,1]=4 2278 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [0,2,0,0,0,0|1,0,1]=4 2279 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [0,2,0,0,0,0|1,0,1]=4 2280 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [0,2,0,0,0,0|1,0,1]=4 2281 B7R0.10 OC/C(=C(\Br)/CO)/Br MCULE-4124313752 [0,2,0,0,0,0|0,0,2]=4 2282 B7R0.10 OCC(=C(Br)CO)Br MCULE-5802887340 [0,2,0,0,0,0|0,0,2]=4 2283 B7R0.10 OCC(=C(F)CBr)F MCULE-8689735335 [0,2,0,0,0,0|1,0,1]=4 2284 B7R0.10 OCC(Br)C(Br)CO MCULE-4593943249 [0,2,0,0,0,0|0,0,2]=4 2285 B7R0.10 OC[C@@H](Br)[C@H](Br)CO MCULE-7293448690 [0,2,0,0,0,0|0,0,2]=4 2286 B7R0.11 C=CC(C)(C)CCO MCULE-8304657692 [0,2,0,0,0,0|1,0,1]=4 2287 B7R0.11 C=CS(=O)(=O)CCO MCULE-3885863033 [0,2,0,0,0,0|2,0,0]=4 2288 B7R0.9 C=C(Br)CS(=O)(=O)F MCULE-9150168788 [0,2,0,0,0,0|1,0,1]=4 2289 B7R0.9 C=C(Br)C[Si](C)(C)C MCULE-8859351976 [0,2,0,0,0,0|1,1,0]=4 2290 B7R0.9 C=C(C)CC(C)(C)C MCULE-2888894392 [0,2,0,0,0,0|2,0,0]=4 2291 B7R0.9 C=C(C)CS(=O)(=O)O MCULE-9682032193 [0,2,0,0,0,0|2,0,0]=4 2292 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,2,0,0,0,0|1,0,1]=4 2293 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,2,0,0,0,0|2,0,0]=4 2294 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,2,0,0,0,0|1,0,1]=4 2295 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,2,0,0,0,0|1,0,1]=4 2296 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,2,0,0,0,0|1,0,1]=4 2297 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,2,0,0,0,0|1,0,1]=4 2298 B7R0.16 C=C(C)[C@@H](N)C(=C)O MCULE-5278584348 [0,2,0,0,0,0|1,0,1]=4 2299 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,2,0,0,0,0|1,0,1]=4 2300 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,2,0,0,0,0|1,0,1]=4 2301 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,2,0,0,0,0|1,0,1]=4 2302 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,2,0,0,0,0|1,0,1]=4 2303 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,2,0,0,0,0|2,0,0]=4 2304 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,2,0,0,0,0|2,0,0]=4 2305 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,2,0,0,0,0|2,0,0]=4 2306 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,2,0,0,0,0|2,0,0]=4 2307 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,2,0,0,0,0|2,0,0]=4 2308 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,2,0,0,0,0|2,0,0]=4 2309 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,2,0,0,0,0|2,0,0]=4 2310 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,2,0,0,0,0|2,0,0]=4 2311 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,2,0,0,0,0|2,0,0]=4 2312 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,2,0,0,0,0|2,0,0]=4 2313 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,2,0,0,0,0|2,0,0]=4 2314 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,2,0,0,0,0|2,0,0]=4 2315 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,2,0,0,0,0|2,0,0]=4 2316 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,2,0,0,0,0|2,0,0]=4 2317 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,2,0,0,0,0|2,0,0]=4 2318 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,2,0,0,0,0|2,0,0]=4 2319 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,2,0,0,0,0|2,0,0]=4 2320 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,2,0,0,0,0|2,0,0]=4 2321 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,2,0,0,0,0|2,0,0]=4 2322 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,2,0,0,0,0|2,0,0]=4 2323 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,2,0,0,0,0|2,0,0]=4 2324 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,2,0,0,0,0|2,0,0]=4 2325 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,2,0,0,0,0|2,0,0]=4 2326 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,2,0,0,0,0|2,0,0]=4 2327 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,2,0,0,0,0|2,0,0]=4 2328 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,2,0,0,0,0|2,0,0]=4 2329 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,2,0,0,0,0|2,0,0]=4 2330 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,2,0,0,0,0|2,0,0]=4 2331 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,2,0,0,0,0|2,0,0]=4 2332 B7R0.13 CC(=O)C(C)(C)CO MCULE-7885820738 [0,2,0,0,0,0|1,0,1]=4 2333 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,2,0,0,0,0|2,0,0]=4 2334 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,2,0,0,0,0|2,0,0]=4 2335 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,2,0,0,0,0|2,0,0]=4 2336 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,2,0,0,0,0|2,0,0]=4 2337 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [0,2,0,0,0,0|2,0,0]=4 2338 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,2,0,0,0,0|2,0,0]=4 2339 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,2,0,0,0,0|2,0,0]=4 2340 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,2,0,0,0,0|2,0,0]=4 2341 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,2,0,0,0,0|2,0,0]=4 2342 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,2,0,0,0,0|2,0,0]=4 2343 B7R0.15 C=C(C)C(CC)CC MCULE-2424136176 [0,2,0,0,0,0|2,0,0]=4 2344 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,2,0,0,0,0|1,0,1]=4 2345 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,2,0,0,0,0|2,0,0]=4 2346 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,2,0,0,0,0|2,0,0]=4 2347 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,2,0,0,0,0|2,0,0]=4 2348 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,2,0,0,0,0|2,0,0]=4 2349 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,2,0,0,0,0|2,0,0]=4 2350 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,2,0,0,0,0|2,0,0]=4 2351 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,2,0,0,0,0|2,0,0]=4 2352 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,2,0,0,0,0|2,0,0]=4 2353 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,2,0,0,0,0|2,0,0]=4 2354 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,2,0,0,0,0|2,0,0]=4 2355 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,2,0,0,0,0|2,0,0]=4 2356 B7R0.15 COC(CO)C(C)Br MCULE-6071239484 [0,2,0,0,0,0|0,0,2]=4 2357 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,2,0,0,0,0|2,0,0]=4 2358 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,2,0,0,0,0|2,0,0]=4 2359 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,2,0,0,0,0|2,0,0]=4 2360 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,2,0,0,0,0|2,0,0]=4 2361 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,2,0,0,0,0|2,0,0]=4 2362 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,2,0,0,0,0|2,0,0]=4 2363 B7R0.4 C=C(Br)CCCC#N MCULE-6815008975 [0,2,0,0,0,0|1,0,0]=3 2364 B7R0.4 C=C(Br)CCCCC MCULE-3049831354 [0,2,0,0,0,0|1,0,0]=3 2365 B7R0.4 C=C(C)CCC=CC MCULE-7970794651 [0,2,0,0,0,0|2,0,0]=4 2366 B7R0.4 C=C(C)CCCC#N MCULE-2408925107 [0,2,0,0,0,0|2,0,0]=4 2367 B7R0.4 C=C(C)CCCCC MCULE-6108413722 [0,2,0,0,0,0|2,0,0]=4 2368 B7R0.4 C=C(Cl)CCCC#N MCULE-4521775223 [0,2,0,0,0,0|1,1,0]=4 2369 B7R0.4 C=C(Cl)CCCCC MCULE-5074452982 [0,2,0,0,0,0|1,1,0]=4 2370 B7R0.4 C=CCNCC(=C)Br MCULE-1736421894 [0,2,0,0,0,0|1,0,0]=3 2371 B7R0.4 C=CCNCC(=C)Br MCULE-1835425145 [0,2,0,0,0,0|1,0,0]=3 2372 B7R0.4 CC(=C=CCCO)C MCULE-7603464206 [0,2,0,0,0,0|1,0,1]=4 2373 B7R0.4 CC(=CCCCO)C MCULE-5263952692 [0,2,0,0,0,0|1,0,1]=4 2374 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [0,2,0,0,0,0|1,0,1]=4 2375 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,2,0,0,0,0|1,0,1]=4 2376 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,2,0,0,0,0|1,0,1]=4 2377 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,2,0,0,0,0|1,0,1]=4 2378 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [0,2,0,0,0,0|1,0,1]=4 2379 B7R0.4 CC(Br)CCCCO MCULE-2106751856 [0,2,0,0,0,0|0,0,2]=4 2380 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [0,2,0,0,0,0|2,0,0]=4 2381 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [0,2,0,0,0,0|2,0,0]=4 2382 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,2,0,0,0,0|1,0,1]=4 2383 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [0,2,0,0,0,0|1,1,0]=4 2384 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,2,0,0,0,0|2,0,0]=4 2385 B7R0.4 COCCCC(=O)C MCULE-3606369396 [0,2,0,0,0,0|1,0,1]=4 2386 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,2,0,0,0,0|2,0,0]=4 2387 B7R0.4 COCCCC(=S)N MCULE-5066867181 [0,2,0,0,0,0|2,0,0]=4 2388 B7R0.4 COCCNC(=N)N MCULE-4122240317 [0,2,0,0,0,0|2,0,0]=4 2389 B7R0.4 COCCNC(=N)N MCULE-5184785677 [0,2,0,0,0,0|2,0,0]=4 2390 B7R0.4 COCCNC(=N)N MCULE-5799549903 [0,2,0,0,0,0|2,0,0]=4 2391 B7R0.4 COCCNC(=O)C MCULE-2794263612 [0,2,0,0,0,0|1,0,1]=4 2392 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,2,0,0,0,0|2,0,0]=4 2393 B7R0.4 COCCNC(=S)N MCULE-1285240117 [0,2,0,0,0,0|2,0,0]=4 2394 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,2,0,0,0,0|1,0,1]=4 2395 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [0,2,0,0,0,0|1,1,0]=4 2396 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,2,0,0,0,0|2,0,0]=4 2397 B7R0.4 COCCSC(=N)N MCULE-2093405339 [0,2,0,0,0,0|2,0,0]=4 2398 B7R0.4 COCCSC(=N)N MCULE-7836023475 [0,2,0,0,0,0|2,0,0]=4 2399 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,2,0,0,0,0|2,0,0]=4 2400 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,2,0,0,0,0|2,0,0]=4 2401 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,2,0,0,0,0|2,0,0]=4 2402 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,2,0,0,0,0|2,0,0]=4 2403 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,2,0,0,0,0|2,0,0]=4 2404 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,2,0,0,0,0|2,0,0]=4 2405 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,2,0,0,0,0|2,0,0]=4 2406 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,2,0,0,0,0|2,0,0]=4 2407 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,2,0,0,0,0|2,0,0]=4 2408 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,2,0,0,0,0|2,0,0]=4 2409 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,2,0,0,0,0|2,0,0]=4 2410 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [0,2,0,0,0,0|2,0,0]=4 2411 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,2,0,0,0,0|2,0,0]=4 2412 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,2,0,0,0,0|0,0,0]=2 2413 B7R0.6 C=C(Br)CNC(=O)C MCULE-4123179812 [0,2,0,0,0,0|0,0,2]=4 2414 B7R0.6 C=C(C)CCC(=C)C MCULE-6018302318 [0,2,0,0,0,0|2,0,0]=4 2415 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,2,0,0,0,0|1,0,1]=4 2416 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,2,0,0,0,0|1,0,1]=4 2417 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,2,0,0,0,0|1,0,0]=3 2418 B7R0.6 C=C(C)CCC(C)Br MCULE-6437209576 [0,2,0,0,0,0|2,0,0]=4 2419 B7R0.6 C=C(C)CCC(C)C MCULE-2459654294 [0,2,0,0,0,0|2,0,0]=4 2420 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [0,2,0,0,0,0|2,0,0]=4 2421 B7R0.6 C=C(C)CCC(C)O MCULE-5005514248 [0,2,0,0,0,0|1,0,0]=3 2422 B7R0.6 C=C(C)CCN(=O)=O MCULE-5685156382 [0,2,0,0,0,0|1,0,1]=4 2423 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,2,0,0,0,0|1,0,1]=4 2424 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,2,0,0,0,0|0,1,0]=3 2425 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,2,0,0,0,0|1,0,1]=4 2426 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,2,0,0,0,0|1,0,1]=4 2427 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,2,0,0,0,0|1,0,1]=4 2428 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,2,0,0,0,0|2,0,0]=4 2429 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,2,0,0,0,0|2,0,0]=4 2430 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,2,0,0,0,0|2,0,0]=4 2431 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,2,0,0,0,0|2,0,0]=4 2432 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,2,0,0,0,0|2,0,0]=4 2433 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,2,0,0,0,0|2,0,0]=4 2434 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,2,0,0,0,0|2,0,0]=4 2435 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,2,0,0,0,0|2,0,0]=4 2436 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,1,0,0|0,0,0]=2 2437 B5R1.2 BrC1CCC1 MCULE-3713567804 [1,0,0,1,0,0|0,0,2]=4 2438 B5R1.2 BrC1COC1 MCULE-7527620035 [1,0,0,1,0,0|0,0,2]=4 2439 B5R1.2 C=C1CCC1 MCULE-8318650413 [1,0,0,1,0,0|1,0,0]=3 2440 B5R1.2 C=C1CNC1 MCULE-1391021267 [1,0,0,1,0,0|2,0,0]=4 2441 B5R1.2 C=C1CNC1 MCULE-7957953185 [1,0,0,1,0,0|2,0,0]=4 2442 B5R1.2 C=C1COC1 MCULE-1822645869 [1,0,0,1,0,0|1,0,0]=3 2443 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,1,0,0|1,0,1]=4 2444 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,1,0,0|2,0,0]=4 2445 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|2,0,0]=4 2446 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,1,0,0|1,0,1]=4 2447 B5R1.5 CC1(CC1)Br MCULE-7741990197 [1,0,0,1,0,0|0,0,2]=4 2448 B5R1.1 B1CCOO1 MCULE-4859234466 [1,0,0,1,0,0|2,0,0]=4 2449 B5R1.1 C1=CCC=C1 MCULE-1776679581 [1,0,0,1,0,0|1,0,1]=4 2450 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,1,0,0|1,0,0]=3 2451 B5R1.1 C1=CCNC1 MCULE-4645888757 [1,0,0,1,0,0|2,0,0]=4 2452 B5R1.1 C1=CCNC1 MCULE-7386427096 [1,0,0,1,0,0|2,0,0]=4 2453 B5R1.1 C1=CCOC1 MCULE-1252378718 [1,0,0,1,0,0|0,0,2]=4 2454 B5R1.1 C1=CCSC1 MCULE-7848219599 [1,0,0,1,0,0|2,0,0]=4 2455 B5R1.1 C1=COC=C1 MCULE-6076190179 [1,0,0,1,0,0|0,0,2]=4 2456 B5R1.1 C1=COC=N1 MCULE-4239266587 [1,0,0,1,0,0|1,0,1]=4 2457 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,1,0,0|0,0,0]=2 2458 B5R1.1 C1=CON=C1 MCULE-4177650025 [1,0,0,1,0,0|1,0,1]=4 2459 B5R1.1 C1=NCCN1 MCULE-6281004177 [1,0,0,1,0,0|2,0,0]=4 2460 B5R1.1 C1=NNCC1 MCULE-2270087414 [1,0,0,1,0,0|2,0,0]=4 2461 B5R1.1 C1CCOC1 MCULE-3873245085 [1,0,0,1,0,0|0,0,2]=4 2462 B5R1.1 C1CNOC1 MCULE-3922840312 [1,0,0,1,0,0|1,0,1]=4 2463 B5R1.1 C1CNOC1 MCULE-6084499894 [1,0,0,1,0,0|1,0,1]=4 2464 B5R1.1 C1COCN1 MCULE-4693733872 [1,0,0,1,0,0|1,0,1]=4 2465 B5R1.1 C1COCO1 MCULE-3967810235 [1,0,0,1,0,0|1,0,1]=4 2466 B7R1.1 BrCC1=CCCC1 MCULE-9208619526 [0,1,0,1,0,0|1,0,0]=3 2467 B7R1.1 BrCC1=COC=C1 MCULE-3143969430 [0,1,0,1,0,0|0,0,2]=4 2468 B7R1.1 BrCC1=COC=N1 MCULE-6352763539 [0,1,0,1,0,0|1,0,1]=4 2469 B7R1.1 BrCC1=COC=N1 MCULE-7780748738 [0,1,0,1,0,0|1,0,1]=4 2470 B7R1.1 BrCC1=CON=C1 MCULE-6174675524 [0,1,0,1,0,0|1,0,1]=4 2471 B7R1.1 BrCC1C=CCC1 MCULE-4270104932 [0,1,0,1,0,0|1,0,1]=4 2472 B7R1.1 BrCC1CCOC1 MCULE-5109533414 [0,1,0,1,0,0|0,0,2]=4 2473 B7R1.1 BrC[C@H]1CCOC1 MCULE-3326059942 [0,1,0,1,0,0|0,0,2]=4 2474 B7R1.1 CC=C1CCCC1 MCULE-9763131004 [0,1,0,1,0,0|2,0,0]=4 2475 B7R1.1 CC=C1CCNC1 MCULE-9077980338 [0,1,0,1,0,0|2,0,0]=4 2476 B7R1.1 CC=C1CCNC1 MCULE-9519724391 [0,1,0,1,0,0|2,0,0]=4 2477 B7R1.1 CCC1=CCCC1 MCULE-5154730597 [0,1,0,1,0,0|2,0,0]=4 2478 B7R1.1 COC1=CCCC1 MCULE-6260649761 [0,1,0,1,0,0|2,0,0]=4 2479 B7R1.1 ClCC1=NOCC1 MCULE-8714304275 [0,1,0,1,0,0|1,0,1]=4 2480 B7R1.1 N#CC1=CCCC1 MCULE-5654080085 [0,1,0,1,0,0|2,0,0]=4 2481 B7R1.1 N#CC1=NOCC1 MCULE-6070275701 [0,1,0,1,0,0|1,0,1]=4 2482 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [0,1,0,1,0,0|2,0,0]=4 2483 B7R1.1 O=CC1CCOC1 MCULE-9515567606 [0,1,0,1,0,0|1,0,1]=4 2484 B7R1.1 O=C[C@@H]1CCOC1 MCULE-5181257964 [0,1,0,1,0,0|1,0,1]=4 2485 B7R1.1 O=C[C@H]1CCOC1 MCULE-4532427366 [0,1,0,1,0,0|1,0,1]=4 2486 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [0,1,0,1,0,0|2,0,0]=4 2487 B7R1.2 BrC1=COC(=C1)Br MCULE-2229692941 [0,1,0,1,0,0|0,0,2]=4 2488 B7R1.2 BrC1=COC(=N1)Br MCULE-6704583546 [0,1,0,1,0,0|1,0,1]=4 2489 B7R1.2 BrC1C=CC(C1)Br MCULE-1382581877 [0,1,0,1,0,0|1,0,1]=4 2490 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,1,0,1,0,0|1,0,1]=4 2491 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,1,0,1,0,0|1,0,1]=4 2492 B7R1.2 CC1=CC(=CO1)Br MCULE-1365881695 [0,1,0,1,0,0|0,0,2]=4 2493 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,1,0,1,0,0|1,0,1]=4 2494 B7R1.2 CC1=NC(=CO1)Br MCULE-4921013012 [0,1,0,1,0,0|1,0,1]=4 2495 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [0,1,0,1,0,0|2,0,0]=4 2496 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,1,0,1,0,0|1,0,1]=4 2497 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,1,0,1,0,0|1,0,1]=4 2498 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [0,1,0,1,0,0|1,0,1]=4 2499 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [0,1,0,1,0,0|1,0,1]=4 2500 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [0,1,0,1,0,0|1,0,1]=4 2501 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [0,1,0,1,0,0|1,0,1]=4 2502 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,1,0,1,0,0|0,0,1]=3 2503 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,1,0,1,0,0|0,1,1]=4 2504 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,1,0,1,0,0|0,1,1]=4 2505 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,1,0,1,0,0|1,0,0]=3 2506 B7R1.2 O=C1C=C(CN1)Br MCULE-7250904402 [0,1,0,1,0,0|0,0,2]=4 2507 B7R1.2 O=C1C=C(CN1)O MCULE-4305405716 [0,1,0,1,0,0|1,0,1]=4 2508 B7R1.2 O=C1C=C(CO1)Br MCULE-8883097432 [0,1,0,1,0,0|0,0,2]=4 2509 B7R1.2 O=C1C=C(CO1)O MCULE-5095558101 [0,1,0,1,0,0|1,0,1]=4 2510 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,1,0,1,0,0|1,0,0]=3 2511 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,1,0,1,0,0|2,0,0]=4 2512 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,1,0,1,0,0|1,0,0]=3 2513 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,1,0,1,0,0|1,0,0]=3 2514 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,1,0,1,0,0|1,0,1]=4 2515 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,1,0,1,0,0|1,0,1]=4 2516 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,1,0,0|1,0,1]=4 2517 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,1,0,0|1,0,1]=4 2518 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,1,0,1,0,0|1,0,1]=4 2519 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,1,0,1,0,0|2,0,0]=4 2520 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,1,0,0|2,0,0]=4 2521 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,1,0,1,0,0|1,0,1]=4 2522 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,1,0,1,0,0|1,0,1]=4 2523 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,1,0,0|1,0,1]=4 2524 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,1,0,0|1,0,1]=4 2525 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,1,0,1,0,0|1,0,1]=4 2526 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,1,0,1,0,0|1,0,1]=4 2527 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,1,0,0|1,0,1]=4 2528 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,1,0,0|1,0,1]=4 2529 B7R1.2 OC1=CC=C(S1)Br MCULE-2888788322 [0,1,0,1,0,0|1,0,1]=4 2530 B7R1.2 OC1=NC(=CS1)Br MCULE-6006572224 [0,1,0,1,0,0|1,0,1]=4 2531 B7R1.2 OC1C=CC(C1)O MCULE-9792113599 [0,1,0,1,0,0|1,0,1]=4 2532 B7R1.2 ON1C=C(C=N1)Br MCULE-4381721976 [0,1,0,1,0,0|1,0,1]=4 2533 B7R1.2 O[C@@H]1C=C[C@@H](C1)O MCULE-7187295032 [0,1,0,1,0,0|1,0,1]=4 2534 B7R1.3 BrC1=CCCCC1 MCULE-6137796305 [0,1,0,1,0,0|1,0,0]=3 2535 B7R1.3 BrC1=CCCNC1 MCULE-1016336040 [0,1,0,1,0,0|1,0,0]=3 2536 B7R1.3 BrC1=CCCNC1 MCULE-9845052592 [0,1,0,1,0,0|1,0,0]=3 2537 B7R1.3 BrC1=CCOCC1 MCULE-7609274912 [0,1,0,1,0,0|0,0,0]=2 2538 B7R1.3 BrC1=CCSCC1 MCULE-6964400494 [0,1,0,1,0,0|0,1,0]=3 2539 B7R1.3 BrC1=CNCC=N1 MCULE-8663509765 [0,1,0,1,0,0|1,0,1]=4 2540 B7R1.3 BrC1=COCCC1 MCULE-7754503978 [0,1,0,1,0,0|0,0,0]=2 2541 B7R1.3 BrC1C=CCCC1 MCULE-1210573604 [0,1,0,1,0,0|1,0,1]=4 2542 B7R1.3 BrC1CCCOC1 MCULE-5781416415 [0,1,0,1,0,0|0,0,2]=4 2543 B7R1.3 BrC1CCOCC1 MCULE-4896539126 [0,1,0,1,0,0|0,0,2]=4 2544 B7R1.3 C=C1CCCCC1 MCULE-9812236661 [0,1,0,1,0,0|2,0,0]=4 2545 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [0,1,0,1,0,0|2,0,0]=4 2546 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [0,1,0,1,0,0|2,0,0]=4 2547 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [0,1,0,1,0,0|2,0,0]=4 2548 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [0,1,0,1,0,0|1,0,0]=3 2549 B7R1.3 C=C1CCNCC1 MCULE-4460895436 [0,1,0,1,0,0|2,0,0]=4 2550 B7R1.3 C=C1CCNCC1 MCULE-6605411269 [0,1,0,1,0,0|2,0,0]=4 2551 B7R1.3 C=C1CCNCC1 MCULE-6729798105 [0,1,0,1,0,0|2,0,0]=4 2552 B7R1.3 C=C1CCOCC1 MCULE-2744722311 [0,1,0,1,0,0|1,0,0]=3 2553 B7R1.3 CC1=CC=CCC1 MCULE-3797800778 [0,1,0,1,0,0|2,0,0]=4 2554 B7R1.3 CC1=CCCC=C1 MCULE-6224653152 [0,1,0,1,0,0|2,0,0]=4 2555 B7R1.3 CC1=CCCCC1 MCULE-2795172496 [0,1,0,1,0,0|2,0,0]=4 2556 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [0,1,0,1,0,0|2,0,0]=4 2557 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [0,1,0,1,0,0|2,0,0]=4 2558 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [0,1,0,1,0,0|2,0,0]=4 2559 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [0,1,0,1,0,0|2,0,0]=4 2560 B7R1.3 ClC1=CCCCC1 MCULE-6882712527 [0,1,0,1,0,0|1,1,0]=4 2561 B7R1.3 ClC1=CCCNC1 MCULE-2132976242 [0,1,0,1,0,0|1,1,0]=4 2562 B7R1.3 ClC1=CCCNC1 MCULE-9013141821 [0,1,0,1,0,0|1,1,0]=4 2563 B7R1.3 FC1=CCCNC1 MCULE-5131057553 [0,1,0,1,0,0|1,1,0]=4 2564 B7R1.3 FC1=CCCNC1 MCULE-8459145085 [0,1,0,1,0,0|1,1,0]=4 2565 B7R1.3 FC1=CCNCC1 MCULE-5573410633 [0,1,0,1,0,0|1,1,0]=4 2566 B7R1.3 FC1=CCNCC1 MCULE-9755070929 [0,1,0,1,0,0|1,1,0]=4 2567 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,1,0,1,0,0|2,0,0]=4 2568 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,1,0,1,0,0|2,0,0]=4 2569 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,1,0,1,0,0|2,0,0]=4 2570 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [0,1,0,1,0,0|2,0,0]=4 2571 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,1,0,1,0,0|1,0,0]=3 2572 B7R1.3 O=C1C=COCN1 MCULE-7471476237 [0,1,0,1,0,0|2,0,0]=4 2573 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,1,0,1,0,0|1,0,1]=4 2574 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [0,1,0,1,0,0|1,0,1]=4 2575 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,1,0,1,0,0|1,0,1]=4 2576 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,1,0,1,0,0|1,0,1]=4 2577 B7R1.3 OC1=CN=NCC1 MCULE-3904781537 [0,1,0,1,0,0|2,0,0]=4 2578 B7R1.3 S=C1COCCN1 MCULE-1743172522 [0,1,0,1,0,0|1,0,1]=4 2579 B7R1.4 BrC1=C(CCC1)Br MCULE-2617233515 [0,1,0,1,0,0|1,0,0]=3 2580 B7R1.4 BrC1=C(OC=C1)Br MCULE-7426166356 [0,1,0,1,0,0|0,0,2]=4 2581 B7R1.4 BrC1=C(OC=C1)I MCULE-5137662121 [0,1,0,1,0,0|0,0,2]=4 2582 B7R1.4 BrC1=COC=C1Br MCULE-4599284885 [0,1,0,1,0,0|0,0,2]=4 2583 B7R1.4 C=C1CCCC1O MCULE-3026250203 [0,1,0,1,0,0|2,0,0]=4 2584 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,1,0,0|2,0,0]=4 2585 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,1,0,0|1,0,0]=3 2586 B7R1.4 C=C1COCC1N MCULE-4632261286 [0,1,0,1,0,0|1,0,0]=3 2587 B7R1.4 C=C1COCC1N MCULE-7153575301 [0,1,0,1,0,0|1,0,0]=3 2588 B7R1.4 CC1=C(C=CO1)Br MCULE-5272760073 [0,1,0,1,0,0|0,0,2]=4 2589 B7R1.4 CC1=C(C=NO1)Br MCULE-3480380556 [0,1,0,1,0,0|1,0,1]=4 2590 B7R1.4 CC1=C(N=CO1)Br MCULE-5720800030 [0,1,0,1,0,0|1,0,1]=4 2591 B7R1.4 CC1=C(N=CO1)Br MCULE-6592849789 [0,1,0,1,0,0|1,0,1]=4 2592 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,1,0,1,0,0|2,0,0]=4 2593 B7R1.4 CC1=CCOC1=O MCULE-9785490540 [0,1,0,1,0,0|1,0,1]=4 2594 B7R1.4 CC1=COC=C1Br MCULE-5316317633 [0,1,0,1,0,0|0,0,2]=4 2595 B7R1.4 CC1=NOC=C1Br MCULE-7195499083 [0,1,0,1,0,0|1,0,1]=4 2596 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,1,0,0|1,0,1]=4 2597 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,1,0,1,0,0|1,0,1]=4 2598 B7R1.4 CC1CON=C1N MCULE-8845082604 [0,1,0,1,0,0|2,0,0]=4 2599 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,1,0,1,0,0|1,0,1]=4 2600 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,1,0,0|2,0,0]=4 2601 B7R1.4 NC1=CCOC1=O MCULE-9089854091 [0,1,0,1,0,0|1,0,1]=4 2602 B7R1.4 NC1=NOC=C1Br MCULE-5371812507 [0,1,0,1,0,0|1,0,1]=4 2603 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,1,0,0|1,0,1]=4 2604 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,1,0,0|1,0,1]=4 2605 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,1,0,0|1,0,1]=4 2606 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,1,0,0|1,0,1]=4 2607 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,1,0,0|1,0,1]=4 2608 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,1,0,0|1,0,1]=4 2609 B7R1.4 NC1COCC1Br MCULE-5821692966 [0,1,0,1,0,0|0,0,2]=4 2610 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,1,0,1,0,0|2,0,0]=4 2611 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,1,0,1,0,0|2,0,0]=4 2612 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,1,0,0|2,0,0]=4 2613 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,1,0,0|2,0,0]=4 2614 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,1,0,0|1,0,1]=4 2615 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,1,0,0|1,0,1]=4 2616 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,1,0,0|1,0,1]=4 2617 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,1,0,0|1,0,1]=4 2618 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,1,0,1,0,0|2,0,0]=4 2619 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,1,0,1,0,0|2,0,0]=4 2620 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,1,0,0|1,0,1]=4 2621 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,1,0,0|1,0,1]=4 2622 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,1,0,0|1,0,1]=4 2623 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,1,0,0|1,0,1]=4 2624 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,1,0,0|1,0,1]=4 2625 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,1,0,1,0,0|2,0,0]=4 2626 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,1,0,1,0,0|2,0,0]=4 2627 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,1,0,1,0,0|1,0,1]=4 2628 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,1,0,1,0,0|2,0,0]=4 2629 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,1,0,0|2,0,0]=4 2630 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,1,0,1,0,0|2,0,0]=4 2631 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,1,0,1,0,0|1,0,1]=4 2632 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,1,0,0|2,0,0]=4 2633 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,1,0,1,0,0|1,0,1]=4 2634 B7R1.4 O=C1OCC=C1Br MCULE-9287853531 [0,1,0,1,0,0|0,0,1]=3 2635 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,1,0,0|0,0,1]=3 2636 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,1,0,0|1,0,1]=4 2637 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,1,0,0|1,0,1]=4 2638 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,1,0,0|1,0,1]=4 2639 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,1,0,0|1,0,1]=4 2640 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,1,0,0|1,0,1]=4 2641 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,1,0,0|1,0,1]=4 2642 B7R1.4 OC1=NOC=C1Br MCULE-1436145132 [0,1,0,1,0,0|1,0,1]=4 2643 B7R1.4 OC1CCC=C1Br MCULE-2577502971 [0,1,0,1,0,0|1,0,0]=3 2644 B7R1.4 OC1COCC1Br MCULE-8642236751 [0,1,0,1,0,0|0,0,2]=4 2645 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,1,0,0|1,0,1]=4 2646 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,1,0,0|1,0,1]=4 2647 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,1,0,0|1,0,1]=4 2648 B7R1.10 C=C1CC(C1)C#N MCULE-9330463463 [0,1,0,1,0,0|2,0,0]=4 2649 B7R1.10 C=C1CC(C1)CBr MCULE-5306604568 [0,1,0,1,0,0|2,0,0]=4 2650 B7R1.10 C=C1CC(C1)CN MCULE-1227151583 [0,1,0,1,0,0|2,0,0]=4 2651 B7R1.10 C=C1CC(C1)CO MCULE-6295731045 [0,1,0,1,0,0|1,0,0]=3 2652 B7R1.10 C=C1CC(C1)NC MCULE-3988893291 [0,1,0,1,0,0|2,0,0]=4 2653 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [0,1,0,1,0,0|1,0,1]=4 2654 B7R1.10 COC1CC(C1)Br MCULE-8691368603 [0,1,0,1,0,0|0,0,2]=4 2655 B7R1.10 CO[C@H]1C[C@@H](C1)Br MCULE-1579786868 [0,1,0,1,0,0|0,0,2]=4 2656 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [0,1,0,1,0,0|1,0,1]=4 2657 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,1,0,1,0,0|1,0,1]=4 2658 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,1,0,1,0,0|1,0,1]=4 2659 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,1,0,1,0,0|1,0,1]=4 2660 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,1,0,1,0,0|1,0,1]=4 2661 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,1,0,1,0,0|1,0,1]=4 2662 B7R1.10 OC1CC(C1)CBr MCULE-8641406432 [0,1,0,1,0,0|0,0,2]=4 2663 B7R1.10 OCC1CC(C1)Br MCULE-6426656913 [0,1,0,1,0,0|0,0,2]=4 2664 B7R1.22 C1(CO1)C(=O)OC MCULE-1350193594 [0,1,0,1,0,0|1,0,1]=4 2665 B7R1.22 C=CC(=O)C1CC1 MCULE-4167270466 [0,1,0,1,0,0|2,0,0]=4 2666 B7R1.22 C=C[C@H](O)[C@H]1CO1 MCULE-8949250499 [0,1,0,1,0,0|1,0,1]=4 2667 B7R1.22 COC(=O)C1CO1 MCULE-1745412030 [0,1,0,1,0,0|1,0,1]=4 2668 B7R1.22 COC(=O)[C@@H]1CO1 MCULE-2259836812 [0,1,0,1,0,0|1,0,1]=4 2669 B7R1.22 COC(=O)[C@H]1CO1 MCULE-5568309714 [0,1,0,1,0,0|1,0,1]=4 2670 B7R1.22 COC(=O)[C@H]1CO1 MCULE-9432053348 [0,1,0,1,0,0|1,0,1]=4 2671 B7R1.22 O=C(CBr)C1CC1 MCULE-1037373080 [0,1,0,1,0,0|2,0,0]=4 2672 B7R1.22 [C@H]1(CO1)C(=O)OC MCULE-2114123664 [0,1,0,1,0,0|1,0,1]=4 2673 B7R1.27 CC1(CC1Br)CO MCULE-5286402958 [0,1,0,1,0,0|0,0,2]=4 2674 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,1,0,1,0,0|1,0,1]=4 2675 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,1,0,1,0,0|1,0,1]=4 2676 B7R1.16 C=C1CC(C1)(F)F MCULE-4710509042 [0,1,0,1,0,0|2,0,0]=4 2677 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,1,0,1,0,0|2,0,0]=4 2678 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,1,0,1,0,0|2,0,0]=4 2679 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,1,0,1,0,0|2,0,0]=4 2680 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,1,0,1,0,0|1,0,1]=4 2681 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,1,0,1,0,0|2,0,0]=4 2682 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,1,0,1,0,0|2,0,0]=4 2683 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,1,0,1,0,0|2,0,0]=4 2684 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,1,0,1,0,0|2,0,0]=4 2685 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,1,0,1,0,0|2,0,0]=4 2686 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,1,0,1,0,0|2,0,0]=4 2687 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,1,0,1,0,0|2,0,0]=4 2688 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,1,0,1,0,0|2,0,0]=4 2689 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,1,0,1,0,0|1,0,1]=4 2690 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,1,0,1,0,0|2,0,0]=4 2691 B7R1.23 CC1(CC1CO)Br MCULE-1246890004 [0,1,0,1,0,0|0,0,2]=4 2692 B7R1.23 OCC1CC1(Br)Br MCULE-7089012177 [0,1,0,1,0,0|0,0,2]=4