0 B5R0.1 C#CCC(=O)O MCULE-4680699666 [0,0,0,0,0,0|1,0,1]=2 1 B5R0.1 C#CCC(C)O MCULE-2487589857 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C(C)(N)CCC MCULE-4800297905 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C(C)(N)CCC MCULE-7674864567 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,0,0,0,0,0|3,0,1]=4 5 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [0,0,0,0,0,0|3,0,1]=4 6 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,0,0,0,0,0|2,0,1]=3 7 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,0,0,0,0,0|2,0,1]=3 8 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,0,0,0,0,0|2,0,2]=4 10 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,0,0,0,0,0|2,0,2]=4 11 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,0,0,0,0,0|2,0,2]=4 12 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [0,0,0,0,0,0|3,0,0]=3 14 B5R0.1 C=C(Br)CCO MCULE-3743908958 [0,0,0,0,0,0|3,0,0]=3 15 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 C=C(C)CCBr MCULE-3439794005 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,0,0,0,0,0|3,0,0]=3 18 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,0,0,0,0,0|3,0,0]=3 19 B5R0.1 C=C(C)CCI MCULE-6317205481 [0,0,0,0,0,0|3,0,0]=3 20 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,0,0,0,0,0|2,0,0]=2 21 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,0,0,0,0,0|2,0,0]=2 22 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,0,0,0,0,0|3,0,0]=3 23 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,0,0,0,0,0|4,0,0]=4 25 B5R0.1 C=C(C)CNN MCULE-1117931770 [0,0,0,0,0,0|3,0,0]=3 26 B5R0.1 C=C(C)CON MCULE-2773974323 [0,0,0,0,0,0|3,0,0]=3 27 B5R0.1 C=C(C)CON MCULE-5978680243 [0,0,0,0,0,0|3,0,0]=3 28 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,0,0,0,0,0|4,0,0]=4 29 B5R0.1 C=CCB(O)O MCULE-2306600658 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.1 C=CCC(=C)C MCULE-6294070836 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 C=CCC(=O)Cl MCULE-6033189203 [0,0,0,0,0,0|2,0,1]=3 33 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,0,0,0,0,0|2,0,1]=3 34 B5R0.1 C=CCC(=O)O MCULE-6288979337 [0,0,0,0,0,0|1,0,1]=2 35 B5R0.1 C=CCC(C)O MCULE-7724200334 [0,0,0,0,0,0|2,0,2]=4 36 B5R0.1 C=CCC(C)O MCULE-9910771503 [0,0,0,0,0,0|2,0,2]=4 37 B5R0.1 C=CC[C@@H](C)O MCULE-1663575568 [0,0,0,0,0,0|2,0,2]=4 38 B5R0.1 C=CC[C@@H](C)O MCULE-3971480179 [0,0,0,0,0,0|2,0,2]=4 39 B5R0.1 C=CC[C@H](C)O MCULE-5783959808 [0,0,0,0,0,0|2,0,2]=4 40 B5R0.1 C=CC[C@H](C)O MCULE-6146696600 [0,0,0,0,0,0|2,0,2]=4 41 B5R0.1 C=CNC(=O)C MCULE-1260296806 [0,0,0,0,0,0|3,0,1]=4 42 B5R0.1 C=CNC(=O)N MCULE-4235216182 [0,0,0,0,0,0|3,0,1]=4 43 B5R0.1 C=COC(=O)C MCULE-7626795765 [0,0,0,0,0,0|3,0,1]=4 44 B5R0.1 C=COC(=O)Cl MCULE-9915729615 [0,0,0,0,0,0|3,0,1]=4 45 B5R0.1 C=C[CH+]C(=O)[O-] MCULE-7935071431 [0,0,0,0,0,0|1,0,3]=4 46 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,0,0,0,0,0|3,0,0]=3 47 B5R0.1 C=NCC(=S)N MCULE-6261527142 [0,0,0,0,0,0|3,1,0]=4 48 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,0,0,0,0,0|2,0,2]=4 49 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [0,0,0,0,0,0|2,0,2]=4 50 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,0,0,0,0,0|1,0,2]=3 51 B5R0.1 CC(=CCBr)C MCULE-7961276795 [0,0,0,0,0,0|3,0,1]=4 52 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,0,0,0,0,0|3,0,1]=4 53 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,0,0,0,0,0|3,0,1]=4 54 B5R0.1 CC(=CCI)I MCULE-4204968539 [0,0,0,0,0,0|3,0,1]=4 55 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,0,0,0,0,0|2,0,1]=3 56 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,0,0,0,0,0|2,0,1]=3 57 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,0,0,0,0,0|2,0,1]=3 58 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,0,0,0,0,0|2,0,1]=3 59 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.1 CC(=CCS)C MCULE-4180446913 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 CC(=O)/C=N/O MCULE-5424156575 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 CC(=O)/C=N\O MCULE-9083768531 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.1 CC(=O)C=C=O MCULE-4335598177 [0,0,0,0,0,0|2,0,2]=4 66 B5R0.1 CC(=O)C=NO MCULE-5513006918 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.1 CC(=O)CC#N MCULE-7203242552 [0,0,0,0,0,0|1,0,2]=3 68 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,0,0,0,0,0|2,0,0]=2 69 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,0,0,0,0,0|2,0,0]=2 70 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,0,0,0,0,0|1,0,0]=1 71 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,0,0,0,0,0|1,0,0]=1 72 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,0,0,0,0,0|2,0,0]=2 73 B5R0.1 CC(=O)N=C=S MCULE-7540453687 [0,0,0,0,0,0|3,0,1]=4 74 B5R0.1 CC(=O)N=S=O MCULE-1420371815 [0,0,0,0,0,0|4,0,0]=4 75 B5R0.1 CC(=O)NC#N MCULE-8444599659 [0,0,0,0,0,0|2,0,2]=4 76 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,0,0,0,0,0|3,0,0]=3 78 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,0,0,0,0,0|3,0,0]=3 79 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,0,0,0,0,0|3,0,0]=3 80 B5R0.1 CC(Br)CCBr MCULE-1045475402 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.1 CC(C)CCBr MCULE-7163010428 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.1 CC(C)CCCl MCULE-8360122696 [0,0,0,0,0,0|3,0,1]=4 83 B5R0.1 CC(C)CCCl MCULE-9017922949 [0,0,0,0,0,0|3,0,1]=4 84 B5R0.1 CC(C)CCI MCULE-4934529500 [0,0,0,0,0,0|3,0,1]=4 85 B5R0.1 CC(C)CCN MCULE-3081003576 [0,0,0,0,0,0|2,0,1]=3 86 B5R0.1 CC(C)CCN MCULE-5118782389 [0,0,0,0,0,0|2,0,1]=3 87 B5R0.1 CC(C)CCN MCULE-5217981670 [0,0,0,0,0,0|2,0,1]=3 88 B5R0.1 CC(C)CCN MCULE-6280940933 [0,0,0,0,0,0|2,0,1]=3 89 B5R0.1 CC(C)CCO MCULE-7411270401 [0,0,0,0,0,0|3,0,1]=4 90 B5R0.1 CC(C)CCS MCULE-7115473363 [0,0,0,0,0,0|3,0,1]=4 91 B5R0.1 CC(C)CNN MCULE-6797887001 [0,0,0,0,0,0|3,0,1]=4 92 B5R0.1 CC(C)CNN MCULE-9592971233 [0,0,0,0,0,0|3,0,1]=4 93 B5R0.1 CC(C)CNN MCULE-9725792452 [0,0,0,0,0,0|3,0,1]=4 94 B5R0.1 CC(C)CON MCULE-3476786246 [0,0,0,0,0,0|3,0,1]=4 95 B5R0.1 CC(C)CON MCULE-4450654727 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.1 CC(Cl)CCCl MCULE-3656498608 [0,0,0,0,0,0|3,0,1]=4 97 B5R0.1 CC(Cl)CCO MCULE-1955496242 [0,0,0,0,0,0|3,0,1]=4 98 B5R0.1 CC(F)CCBr MCULE-3035340901 [0,0,0,0,0,0|3,0,1]=4 99 B5R0.1 CC(F)CCI MCULE-6469250150 [0,0,0,0,0,0|3,0,1]=4 100 B5R0.1 CC(F)CCN MCULE-2805813131 [0,0,0,0,0,0|2,0,1]=3 101 B5R0.1 CC(F)CCN MCULE-5849913362 [0,0,0,0,0,0|2,0,1]=3 102 B5R0.1 CC(N)CCN MCULE-5308134596 [0,0,0,0,0,0|2,0,1]=3 103 B5R0.1 CC(N)CCN MCULE-5880045507 [0,0,0,0,0,0|2,0,1]=3 104 B5R0.1 CC(N)CCN MCULE-7827515430 [0,0,0,0,0,0|2,0,1]=3 105 B5R0.1 CC(N)CCO MCULE-1771399942 [0,0,0,0,0,0|3,0,1]=4 106 B5R0.1 CC(N)CCO MCULE-7239872808 [0,0,0,0,0,0|3,0,1]=4 107 B5R0.1 CC(O)CC#N MCULE-7172428142 [0,0,0,0,0,0|1,0,3]=4 108 B5R0.1 CC(O)CCBr MCULE-7983169885 [0,0,0,0,0,0|2,0,1]=3 109 B5R0.1 CC(O)CCCl MCULE-2952545606 [0,0,0,0,0,0|2,0,1]=3 110 B5R0.1 CC(O)CCN MCULE-6836791276 [0,0,0,0,0,0|1,0,1]=2 111 B5R0.1 CC(O)CCN MCULE-7186260925 [0,0,0,0,0,0|1,0,1]=2 112 B5R0.1 CC(O)CCO MCULE-1694239851 [0,0,0,0,0,0|2,0,1]=3 113 B5R0.1 CC(O)CCO MCULE-7784884948 [0,0,0,0,0,0|2,0,1]=3 114 B5R0.1 CC(O)CNN MCULE-4956670781 [0,0,0,0,0,0|2,0,1]=3 115 B5R0.1 CC(O)CNN MCULE-7917439573 [0,0,0,0,0,0|2,0,1]=3 116 B5R0.1 CC(O)CON MCULE-1051091134 [0,0,0,0,0,0|2,0,1]=3 117 B5R0.1 CC(O)CON MCULE-6722092589 [0,0,0,0,0,0|2,0,1]=3 118 B5R0.1 CC(S)CCO MCULE-5702212503 [0,0,0,0,0,0|2,1,1]=4 119 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,0,0,0,0,0|2,0,2]=4 120 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,0,0,0,0,0|2,0,2]=4 121 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,0,0,0,0,0|2,0,2]=4 122 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,0,0,0,0,0|1,0,2]=3 123 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,0,0,0,0,0|3,0,1]=4 124 B5R0.1 CCC=C(F)F MCULE-5180612061 [0,0,0,0,0,0|3,0,1]=4 125 B5R0.1 CCCB(O)O MCULE-4994980798 [0,0,0,0,0,0|2,0,1]=3 126 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,0,0,0,0,0|3,0,0]=3 127 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,0,0,0,0,0|3,0,0]=3 128 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,0,0,0,0,0|2,0,0]=2 129 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,0,0,0,0,0|2,0,0]=2 130 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,0,0,0,0,0|2,0,0]=2 131 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,0,0,0,0,0|1,0,0]=1 132 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,0,0,0,0,0|1,0,1]=2 133 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,0,0,0,0,0|1,0,1]=2 134 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,0,0,0,0,0|2,1,0]=3 135 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,0,0,0,0,0|1,1,0]=2 136 B5R0.1 CCCC(C)Br MCULE-3178073667 [0,0,0,0,0,0|3,0,1]=4 137 B5R0.1 CCCC(C)C MCULE-9604552974 [0,0,0,0,0,0|3,0,1]=4 138 B5R0.1 CCCC(C)N MCULE-2640298430 [0,0,0,0,0,0|3,0,1]=4 139 B5R0.1 CCCC(C)N MCULE-7225905167 [0,0,0,0,0,0|3,0,1]=4 140 B5R0.1 CCCC(C)O MCULE-8205906299 [0,0,0,0,0,0|2,0,1]=3 141 B5R0.1 CCCC(C)S MCULE-1649095713 [0,0,0,0,0,0|2,1,1]=4 142 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,0,0,0,0,0|2,0,1]=3 143 B5R0.1 CCCN(=O)=O MCULE-5615753372 [0,0,0,0,0,0|2,0,1]=3 144 B5R0.1 CCCN(C)C MCULE-8702643596 [0,0,0,0,0,0|4,0,0]=4 145 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [0,0,0,0,0,0|2,0,1]=3 146 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [0,0,0,0,0,0|2,0,1]=3 147 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [0,0,0,0,0,0|3,0,1]=4 148 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [0,0,0,0,0,0|3,0,1]=4 149 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [0,0,0,0,0,0|3,0,1]=4 150 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [0,0,0,0,0,0|3,0,1]=4 151 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,0,0,0,0,0|2,0,1]=3 152 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [0,0,0,0,0,0|3,0,1]=4 153 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [0,0,0,0,0,0|3,0,1]=4 154 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [0,0,0,0,0,0|3,0,1]=4 155 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [0,0,0,0,0,0|3,0,1]=4 156 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,0,0,0,0,0|2,0,1]=3 157 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,0,0,0,0,0|4,0,0]=4 158 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,0,0,0,0,0|4,0,0]=4 159 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,0,0,0,0,0|3,0,0]=3 160 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,0,0,0,0,0|3,0,0]=3 161 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,0,0,0,0,0|3,0,0]=3 162 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,0,0,0,0,0|3,1,0]=4 163 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,0,0,0,0,0|4,0,0]=4 164 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,0,0,0,0,0|4,0,0]=4 165 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,0,0,0,0,0|4,0,0]=4 166 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,0,0,0,0,0|4,0,0]=4 167 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,0,0,0,0,0|3,0,0]=3 168 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,0,0,0,0,0|3,0,0]=3 169 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,0,0,0,0,0|3,0,0]=3 170 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,0,0,0,0,0|3,1,0]=4 171 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,0,0,0,0,0|3,1,0]=4 172 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [0,0,0,0,0,0|2,2,0]=4 173 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [0,0,0,0,0,0|2,2,0]=4 174 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [0,0,0,0,0,0|2,2,0]=4 175 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,0,0,0,0,0|4,0,0]=4 176 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,0,0,0,0,0|4,0,0]=4 177 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,0,0,0,0,0|3,0,0]=3 178 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,0,0,0,0,0|3,1,0]=4 179 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [0,0,0,0,0,0|2,2,0]=4 180 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [0,0,0,0,0,0|2,2,0]=4 181 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,0,0,0,0,0|4,0,0]=4 182 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,0,0,0,0,0|4,0,0]=4 183 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,0,0,0,0,0|4,0,0]=4 184 B5R0.1 CN(C)CCBr MCULE-4844398053 [0,0,0,0,0,0|4,0,0]=4 185 B5R0.1 CN(C)CCCl MCULE-4297554717 [0,0,0,0,0,0|4,0,0]=4 186 B5R0.1 CN(C)CCCl MCULE-4465544992 [0,0,0,0,0,0|4,0,0]=4 187 B5R0.1 CN(C)CCI MCULE-4687894526 [0,0,0,0,0,0|4,0,0]=4 188 B5R0.1 CN(C)CCI MCULE-7464680246 [0,0,0,0,0,0|4,0,0]=4 189 B5R0.1 CN(C)CCI MCULE-9051868668 [0,0,0,0,0,0|4,0,0]=4 190 B5R0.1 CN(C)CCN MCULE-6693759372 [0,0,0,0,0,0|3,0,0]=3 191 B5R0.1 CN(C)CCN MCULE-6929925748 [0,0,0,0,0,0|3,0,0]=3 192 B5R0.1 CN(C)CCN MCULE-7881547574 [0,0,0,0,0,0|3,0,0]=3 193 B5R0.1 CN(C)CCO MCULE-5715813465 [0,0,0,0,0,0|4,0,0]=4 194 B5R0.1 CN(C)CCO MCULE-7567469160 [0,0,0,0,0,0|4,0,0]=4 195 B5R0.1 CN(C)CCO MCULE-9024108074 [0,0,0,0,0,0|4,0,0]=4 196 B5R0.1 CN(C)CCS MCULE-4356815596 [0,0,0,0,0,0|4,0,0]=4 197 B5R0.1 CN(C)CCS MCULE-4611688723 [0,0,0,0,0,0|4,0,0]=4 198 B5R0.1 CN(C)CCS MCULE-6259585517 [0,0,0,0,0,0|4,0,0]=4 199 B5R0.1 CN(N)CCN MCULE-2782966878 [0,0,0,0,0,0|3,0,0]=3 200 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,0,0,0,0,0|3,0,0]=3 201 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,0,0,0,0,0|3,0,0]=3 202 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,0,0,0,0,0|3,0,0]=3 203 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,0,0,0,0,0|3,0,0]=3 204 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,0,0,0,0,0|3,0,0]=3 205 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,0,0,0,0,0|2,0,0]=2 206 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,0,0,0,0,0|2,0,0]=2 207 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,0,0,0,0,0|2,0,1]=3 208 B5R0.1 CNCC(C)O MCULE-3671071529 [0,0,0,0,0,0|3,0,1]=4 209 B5R0.1 CNCC(C)O MCULE-4171705304 [0,0,0,0,0,0|3,0,1]=4 210 B5R0.1 CNC[C@@H](C)O MCULE-2953164520 [0,0,0,0,0,0|3,0,1]=4 211 B5R0.1 CNC[C@@H](C)O MCULE-3161721140 [0,0,0,0,0,0|3,0,1]=4 212 B5R0.1 CNC[C@@H](C)O MCULE-6218150837 [0,0,0,0,0,0|3,0,1]=4 213 B5R0.1 CNC[C@@H](C)O MCULE-8245274547 [0,0,0,0,0,0|3,0,1]=4 214 B5R0.1 CNC[C@H](C)O MCULE-2655303492 [0,0,0,0,0,0|3,0,1]=4 215 B5R0.1 CNC[C@H](C)O MCULE-7346940457 [0,0,0,0,0,0|3,0,1]=4 216 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,0,0,0,0,0|4,0,0]=4 217 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,0,0,0,0,0|4,0,0]=4 218 B5R0.1 COCC(=N)N MCULE-4711728356 [0,0,0,0,0,0|4,0,0]=4 219 B5R0.1 COCC(=N)N MCULE-7163250467 [0,0,0,0,0,0|4,0,0]=4 220 B5R0.1 COCC(=O)C MCULE-7262197587 [0,0,0,0,0,0|3,0,0]=3 221 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,0,0,0,0,0|3,0,0]=3 222 B5R0.1 COCC(=O)N MCULE-6674958132 [0,0,0,0,0,0|3,0,0]=3 223 B5R0.1 COCC(=O)O MCULE-3945589151 [0,0,0,0,0,0|2,0,0]=2 224 B5R0.1 COCC(=S)N MCULE-2046809269 [0,0,0,0,0,0|3,1,0]=4 225 B5R0.1 COCC(C)O MCULE-4022733014 [0,0,0,0,0,0|3,0,1]=4 226 B5R0.1 COCC(C)O MCULE-7513310960 [0,0,0,0,0,0|3,0,1]=4 227 B5R0.1 COC[C@@H](C)O MCULE-6287552520 [0,0,0,0,0,0|3,0,1]=4 228 B5R0.1 COC[C@@H](C)O MCULE-7942118801 [0,0,0,0,0,0|3,0,1]=4 229 B5R0.1 COC[C@H](C)O MCULE-5908531683 [0,0,0,0,0,0|3,0,1]=4 230 B5R0.1 COC[C@H](C)O MCULE-8619138238 [0,0,0,0,0,0|3,0,1]=4 231 B5R0.1 CONC(=O)C MCULE-6601866630 [0,0,0,0,0,0|4,0,0]=4 232 B5R0.1 CONC(=O)N MCULE-3063713861 [0,0,0,0,0,0|4,0,0]=4 233 B5R0.1 CS(=O)CC#N MCULE-1246621507 [0,0,0,0,0,0|2,0,2]=4 234 B5R0.1 CS(=O)CCBr MCULE-7846126230 [0,0,0,0,0,0|3,0,0]=3 235 B5R0.1 CS(=O)CCCl MCULE-7012781505 [0,0,0,0,0,0|3,0,0]=3 236 B5R0.1 CS(=O)CCN MCULE-6497874560 [0,0,0,0,0,0|2,0,0]=2 237 B5R0.1 CS(=O)CCN MCULE-8275663766 [0,0,0,0,0,0|2,0,0]=2 238 B5R0.1 CS(=O)CCN MCULE-8330490290 [0,0,0,0,0,0|2,0,0]=2 239 B5R0.1 CS(=O)CCO MCULE-8331553582 [0,0,0,0,0,0|3,0,0]=3 240 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,0,0,0,0,0|4,0,0]=4 241 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,0,0,0,0,0|4,0,0]=4 242 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,0,0,0,0,0|3,0,0]=3 243 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,0,0,0,0,0|3,0,0]=3 244 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,0,0,0,0,0|3,0,0]=3 245 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,0,0,0,0,0|2,0,0]=2 246 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,0,0,0,0,0|3,1,0]=4 247 B5R0.1 CSCC(C)O MCULE-2227652351 [0,0,0,0,0,0|3,0,1]=4 248 B5R0.1 CSCS(=O)C MCULE-3167702486 [0,0,0,0,0,0|4,0,0]=4 249 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,0,0,0,0,0|4,0,0]=4 250 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,0,0,0,0,0|3,0,1]=4 251 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,0,0,0,0,0|3,0,1]=4 252 B5R0.1 C[C@@H](O)CC#N MCULE-2879004464 [0,0,0,0,0,0|1,0,3]=4 253 B5R0.1 C[C@@H](O)CCN MCULE-7588849994 [0,0,0,0,0,0|1,0,1]=2 254 B5R0.1 C[C@@H](O)CCN MCULE-7895006310 [0,0,0,0,0,0|1,0,1]=2 255 B5R0.1 C[C@@H](O)CCN MCULE-9071323255 [0,0,0,0,0,0|1,0,1]=2 256 B5R0.1 C[C@@H](O)CCN MCULE-9627550610 [0,0,0,0,0,0|1,0,1]=2 257 B5R0.1 C[C@@H](O)CCO MCULE-6277947442 [0,0,0,0,0,0|2,0,1]=3 258 B5R0.1 C[C@@H](O)CCO MCULE-9742368348 [0,0,0,0,0,0|2,0,1]=3 259 B5R0.1 C[C@@H](O)CON MCULE-3740397343 [0,0,0,0,0,0|2,0,1]=3 260 B5R0.1 C[C@@H](O)CON MCULE-8274376872 [0,0,0,0,0,0|2,0,1]=3 261 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,0,0,0,0,0|3,0,1]=4 262 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,0,0,0,0,0|3,0,1]=4 263 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,0,0,0,0,0|3,0,1]=4 264 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,0,0,0,0,0|3,0,1]=4 265 B5R0.1 C[C@H](O)CC#N MCULE-1968982761 [0,0,0,0,0,0|1,0,3]=4 266 B5R0.1 C[C@H](O)CCN MCULE-7570743309 [0,0,0,0,0,0|1,0,1]=2 267 B5R0.1 C[C@H](O)CCN MCULE-9428853702 [0,0,0,0,0,0|1,0,1]=2 268 B5R0.1 C[C@H](O)CCO MCULE-2504912618 [0,0,0,0,0,0|2,0,1]=3 269 B5R0.1 C[C@H](O)CCO MCULE-2958119786 [0,0,0,0,0,0|2,0,1]=3 270 B5R0.1 C[C@H](O)CON MCULE-4216605221 [0,0,0,0,0,0|2,0,1]=3 271 B5R0.1 C[C@H](O)CON MCULE-9863094719 [0,0,0,0,0,0|2,0,1]=3 272 B5R0.1 C[NH+](C)CCBr MCULE-4990293495 [0,0,0,0,0,0|4,0,0]=4 273 B5R0.1 C[S+](C)CCCl MCULE-1305595131 [0,0,0,0,0,0|4,0,0]=4 274 B5R0.1 C[S+](C)CCCl MCULE-9761617787 [0,0,0,0,0,0|4,0,0]=4 275 B5R0.1 C[S@@](=O)CCO MCULE-4485824334 [0,0,0,0,0,0|3,0,0]=3 276 B5R0.1 ClC(=CCBr)Cl MCULE-5947456231 [0,0,0,0,0,0|3,0,1]=4 277 B5R0.1 ClCC=C(Cl)Cl MCULE-8294724084 [0,0,0,0,0,0|3,0,1]=4 278 B5R0.1 FC(=CCBr)F MCULE-1770710917 [0,0,0,0,0,0|3,0,1]=4 279 B5R0.1 N#CCC(=O)Cl MCULE-7971055738 [0,0,0,0,0,0|1,0,2]=3 280 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,0,0,0,0,0|1,0,2]=3 281 B5R0.1 N#CCC(=O)O MCULE-3440765061 [0,0,0,0,0,0|0,0,2]=2 282 B5R0.1 N#CCC(=O)[O-] MCULE-2598625909 [0,0,0,0,0,0|0,0,3]=3 283 B5R0.1 N#CCC(=O)[O-] MCULE-3532110520 [0,0,0,0,0,0|0,0,3]=3 284 B5R0.1 N#CCC(=S)N MCULE-6348216099 [0,0,0,0,0,0|1,1,2]=4 285 B5R0.1 N#CCC(=[Se])N MCULE-7730610345 [0,0,0,0,0,0|1,1,2]=4 286 B5R0.1 N#CCN(=O)=O MCULE-1994427033 [0,0,0,0,0,0|1,0,3]=4 287 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,0,0,0,0,0|3,0,0]=3 288 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,0,0,0,0,0|3,0,0]=3 289 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,0,0,0,0,0|3,0,0]=3 290 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,0,0,0,0,0|3,0,0]=3 291 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [0,0,0,0,0,0|2,0,2]=4 292 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,0,0,0,0,0|3,0,1]=4 293 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,0,0,0,0,0|2,0,0]=2 294 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,0,0,0,0,0|2,0,0]=2 295 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,0,0,0,0,0|2,0,0]=2 296 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,0,0,0,0,0|2,0,0]=2 297 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,0,0,0,0,0|3,0,0]=3 298 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,0,0,0,0,0|4,0,0]=4 299 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [0,0,0,0,0,0|2,0,1]=3 300 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [0,0,0,0,0,0|2,0,1]=3 301 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,0,0,0,0,0|1,0,0]=1 302 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,0,0,0,0,0|1,0,0]=1 303 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,0,0,0,0,0|1,0,0]=1 304 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,0,0,0,0,0|0,0,0]=0 305 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,0,0,0,0,0|0,0,0]=0 306 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,0,0,0,0,0|0,0,0]=0 307 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,0,0,0,0,0|0,0,1]=1 308 B5R0.1 NCCC(F)F MCULE-3610134573 [0,0,0,0,0,0|2,0,1]=3 309 B5R0.1 NCCC(F)F MCULE-5561095460 [0,0,0,0,0,0|2,0,1]=3 310 B5R0.1 NCCN(=O)=O MCULE-8137427440 [0,0,0,0,0,0|1,0,1]=2 311 B5R0.1 NCCP(=O)O MCULE-7093964616 [0,0,0,0,0,0|1,0,0]=1 312 B5R0.1 NCCS(=O)O MCULE-4372248641 [0,0,0,0,0,0|1,0,0]=1 313 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,0,0,0,0,0|2,0,0]=2 314 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,0,0,0,0,0|2,0,0]=2 315 B5R0.1 NNCC(=O)O MCULE-4908184724 [0,0,0,0,0,0|1,0,0]=1 316 B5R0.1 NNCC(=O)O MCULE-6315598774 [0,0,0,0,0,0|1,0,0]=1 317 B5R0.1 NNCC(F)F MCULE-4290590143 [0,0,0,0,0,0|3,0,1]=4 318 B5R0.1 NNCC(F)F MCULE-8397473173 [0,0,0,0,0,0|3,0,1]=4 319 B5R0.1 NOCC(=O)O MCULE-4566186819 [0,0,0,0,0,0|1,0,0]=1 320 B5R0.1 NOCC(=O)O MCULE-4824237418 [0,0,0,0,0,0|1,0,0]=1 321 B5R0.1 NOCC(=O)O MCULE-8132180423 [0,0,0,0,0,0|1,0,0]=1 322 B5R0.1 NOCC(F)F MCULE-1860693804 [0,0,0,0,0,0|3,0,1]=4 323 B5R0.1 NOCC(F)F MCULE-2698080780 [0,0,0,0,0,0|3,0,1]=4 324 B5R0.1 O=C(Cl)C=CCl MCULE-7984379237 [0,0,0,0,0,0|2,0,2]=4 325 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,0,0,0,0,0|2,0,0]=2 326 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,0,0,0,0,0|2,0,0]=2 327 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,0,0,0,0,0|2,0,0]=2 328 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,0,0,0,0,0|3,0,0]=3 329 B5R0.1 O=C(O)/C=C/Br MCULE-7284519266 [0,0,0,0,0,0|1,0,2]=3 330 B5R0.1 O=C(O)/C=C/Cl MCULE-1625781671 [0,0,0,0,0,0|1,0,2]=3 331 B5R0.1 O=C(O)/C=C/I MCULE-3339607379 [0,0,0,0,0,0|1,0,2]=3 332 B5R0.1 O=C(O)/C=C\Br MCULE-6149049313 [0,0,0,0,0,0|1,0,2]=3 333 B5R0.1 O=C(O)/C=C\Cl MCULE-1221996674 [0,0,0,0,0,0|1,0,2]=3 334 B5R0.1 O=C(O)/C=C\I MCULE-3065405012 [0,0,0,0,0,0|1,0,2]=3 335 B5R0.1 O=C(O)/C=N/O MCULE-2471349844 [0,0,0,0,0,0|2,0,1]=3 336 B5R0.1 O=C(O)C#CBr MCULE-1997285471 [0,0,0,0,0,0|1,0,2]=3 337 B5R0.1 O=C(O)C=CBr MCULE-2956464856 [0,0,0,0,0,0|1,0,2]=3 338 B5R0.1 O=C(O)C=CCl MCULE-6369812151 [0,0,0,0,0,0|1,0,2]=3 339 B5R0.1 O=C(O)C=CI MCULE-7162332129 [0,0,0,0,0,0|1,0,2]=3 340 B5R0.1 O=C(O)C=NO MCULE-2039309679 [0,0,0,0,0,0|2,0,1]=3 341 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,0,0,0,0,0|1,0,0]=1 342 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,0,0,0,0,0|1,0,0]=1 343 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,0,0,0,0,0|1,0,0]=1 344 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,0,0,0,0,0|1,0,0]=1 345 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,0,0,0,0,0|1,0,0]=1 346 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,0,0,0,0,0|1,0,0]=1 347 B5R0.1 O=C(O)CNO MCULE-4437067339 [0,0,0,0,0,0|2,0,0]=2 348 B5R0.1 O=C([O-])C#CO MCULE-3725047218 [0,0,0,0,0,0|1,0,3]=4 349 B5R0.1 O=C([O-])C#CO MCULE-9125153565 [0,0,0,0,0,0|1,0,3]=4 350 B5R0.1 O=C([O-])C=CCl MCULE-4750072789 [0,0,0,0,0,0|1,0,3]=4 351 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,0,0,0,0,0|1,0,1]=2 352 B5R0.1 O=N(=O)CCO MCULE-2060841405 [0,0,0,0,0,0|2,0,1]=3 353 B5R0.1 O=N(=O)CCS MCULE-4845430658 [0,0,0,0,0,0|2,0,1]=3 354 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [0,0,0,0,0,0|3,0,1]=4 355 B5R0.1 OCCC(F)F MCULE-9207688926 [0,0,0,0,0,0|3,0,1]=4 356 B5R0.1 P(=O)(O)C=C=C MCULE-4922910477 [0,0,0,0,0,0|2,0,2]=4 357 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,0,0,0,0,0|2,0,1]=3 358 B5R0.1 [C@@H](C)(O)CNC MCULE-2044067921 [0,0,0,0,0,0|3,0,1]=4 359 B5R0.1 [C@H](C)(O)CC#N MCULE-6894178072 [0,0,0,0,0,0|1,0,3]=4 360 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,0,0,0,0,0|2,0,1]=3 361 B4R0.1 C#CC(=O)C MCULE-1296030711 [1,0,0,0,0,0|1,0,2]=4 362 B4R0.1 C#CC(=O)N MCULE-1832868146 [1,0,0,0,0,0|1,0,2]=4 363 B4R0.1 C#CC(=O)O MCULE-8764256624 [1,0,0,0,0,0|0,0,2]=3 364 B4R0.1 C#CC(=O)[O-] MCULE-3356498679 [1,0,0,0,0,0|0,0,3]=4 365 B4R0.1 C#CC(=O)[O-] MCULE-3490087346 [1,0,0,0,0,0|0,0,3]=4 366 B4R0.1 C(C)(N)CN MCULE-5877041140 [1,0,0,0,0,0|2,0,1]=4 367 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,0,0,0,0|2,0,1]=4 368 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,0,0,0,0|2,0,1]=4 369 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,0,0,0,0|2,0,1]=4 370 B4R0.1 C=C(Br)CBr MCULE-1222617820 [1,0,0,0,0,0|3,0,0]=4 371 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,0,0,0,0|2,0,0]=3 372 B4R0.1 C=C(Br)CN MCULE-1170417597 [1,0,0,0,0,0|2,0,0]=3 373 B4R0.1 C=C(Br)CN MCULE-9190049156 [1,0,0,0,0,0|2,0,0]=3 374 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,0,0,0,0|3,0,0]=4 375 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,0,0,0,0|3,0,0]=4 376 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,0,0,0,0|3,0,0]=4 377 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,0,0,0,0|3,0,0]=4 378 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,0,0,0,0|2,0,0]=3 379 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,0,0,0,0|2,0,0]=3 380 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|3,0,0]=4 381 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,0,0,0,0|3,0,0]=4 382 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,0,0,0,0|3,0,0]=4 383 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [1,0,0,0,0,0|3,0,0]=4 384 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [1,0,0,0,0,0|3,0,0]=4 385 B4R0.1 C=C(Cl)CI MCULE-1908004565 [1,0,0,0,0,0|3,0,0]=4 386 B4R0.1 C=C(Cl)CN MCULE-2159410121 [1,0,0,0,0,0|2,0,0]=3 387 B4R0.1 C=C(Cl)CN MCULE-3454023553 [1,0,0,0,0,0|2,0,0]=3 388 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,0,0,0,0|3,0,0]=4 389 B4R0.1 C=C(F)CBr MCULE-6528430141 [1,0,0,0,0,0|3,0,0]=4 390 B4R0.1 C=C(F)CCl MCULE-4499400030 [1,0,0,0,0,0|3,0,0]=4 391 B4R0.1 C=C(F)CN MCULE-1603171858 [1,0,0,0,0,0|2,0,0]=3 392 B4R0.1 C=C(F)CN MCULE-3878727292 [1,0,0,0,0,0|2,0,0]=3 393 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,0,0,0,0|3,0,0]=4 394 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,0,0,0,0|3,0,0]=4 395 B4R0.1 C=CC(=O)C MCULE-4924646293 [1,0,0,0,0,0|1,0,2]=4 396 B4R0.1 C=CC(=O)Cl MCULE-3579233798 [1,0,0,0,0,0|1,0,2]=4 397 B4R0.1 C=CC(=O)N MCULE-4309430654 [1,0,0,0,0,0|1,0,2]=4 398 B4R0.1 C=CC(=O)O MCULE-9352227082 [1,0,0,0,0,0|0,0,2]=3 399 B4R0.1 C=CC(=O)[O-] MCULE-3928960314 [1,0,0,0,0,0|0,0,3]=4 400 B4R0.1 C=CC(=O)[O-] MCULE-4331301308 [1,0,0,0,0,0|0,0,3]=4 401 B4R0.1 C=CC(=O)[O-] MCULE-5516854555 [1,0,0,0,0,0|0,0,3]=4 402 B4R0.1 CC(=N)NN MCULE-2302306720 [1,0,0,0,0,0|3,0,0]=4 403 B4R0.1 CC(=N)NN MCULE-5362481009 [1,0,0,0,0,0|3,0,0]=4 404 B4R0.1 CC(=NN)C MCULE-8828852790 [1,0,0,0,0,0|3,0,0]=4 405 B4R0.1 CC(=O)C#N MCULE-6317771757 [1,0,0,0,0,0|1,0,2]=4 406 B4R0.1 CC(=O)C=O MCULE-2718961814 [1,0,0,0,0,0|2,0,1]=4 407 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|2,0,0]=3 408 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|2,0,0]=3 409 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|2,0,0]=3 410 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|1,0,0]=2 411 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|1,0,0]=2 412 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|2,0,0]=3 413 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|2,0,0]=3 414 B4R0.1 CC(=O)NBr MCULE-6502070876 [1,0,0,0,0,0|3,0,0]=4 415 B4R0.1 CC(=O)NN MCULE-9183467120 [1,0,0,0,0,0|2,0,0]=3 416 B4R0.1 CC(=O)NO MCULE-2682231025 [1,0,0,0,0,0|3,0,0]=4 417 B4R0.1 CC(=O)OO MCULE-6028338742 [1,0,0,0,0,0|3,0,0]=4 418 B4R0.1 CC(Br)CN MCULE-5214613046 [1,0,0,0,0,0|2,0,1]=4 419 B4R0.1 CC(Br)CN MCULE-6326218362 [1,0,0,0,0,0|2,0,1]=4 420 B4R0.1 CC(C)CN MCULE-2158650588 [1,0,0,0,0,0|2,0,1]=4 421 B4R0.1 CC(C)CN MCULE-6751437658 [1,0,0,0,0,0|2,0,1]=4 422 B4R0.1 CC(C)CN MCULE-8319193456 [1,0,0,0,0,0|2,0,1]=4 423 B4R0.1 CC(C)CN MCULE-8705657065 [1,0,0,0,0,0|2,0,1]=4 424 B4R0.1 CC(Cl)CN MCULE-2637316379 [1,0,0,0,0,0|2,0,1]=4 425 B4R0.1 CC(Cl)CN MCULE-5591419030 [1,0,0,0,0,0|2,0,1]=4 426 B4R0.1 CC(F)CN MCULE-6584490651 [1,0,0,0,0,0|2,0,1]=4 427 B4R0.1 CC(F)CN MCULE-9499916116 [1,0,0,0,0,0|2,0,1]=4 428 B4R0.1 CC(N)CN MCULE-2119036110 [1,0,0,0,0,0|2,0,1]=4 429 B4R0.1 CC(N)CN MCULE-6286216576 [1,0,0,0,0,0|2,0,1]=4 430 B4R0.1 CC(N)CN MCULE-9919433465 [1,0,0,0,0,0|2,0,1]=4 431 B4R0.1 CC(O)CBr MCULE-7835094737 [1,0,0,0,0,0|2,0,1]=4 432 B4R0.1 CC(O)CCl MCULE-9140807958 [1,0,0,0,0,0|2,0,1]=4 433 B4R0.1 CC(O)CF MCULE-1023052065 [1,0,0,0,0,0|2,0,1]=4 434 B4R0.1 CC(O)CN MCULE-4370440652 [1,0,0,0,0,0|1,0,1]=3 435 B4R0.1 CC(O)CN MCULE-5694317743 [1,0,0,0,0,0|1,0,1]=3 436 B4R0.1 CC(O)CN MCULE-6406041538 [1,0,0,0,0,0|1,0,1]=3 437 B4R0.1 CC(O)CN MCULE-6636652305 [1,0,0,0,0,0|1,0,1]=3 438 B4R0.1 CC(O)CO MCULE-5574440784 [1,0,0,0,0,0|2,0,1]=4 439 B4R0.1 CC(O)CO MCULE-8743139013 [1,0,0,0,0,0|2,0,1]=4 440 B4R0.1 CC(O)CS MCULE-7881083356 [1,0,0,0,0,0|2,0,1]=4 441 B4R0.1 CC(O)C[NH3+] MCULE-6871369474 [1,0,0,0,0,0|1,0,2]=4 442 B4R0.1 CC(S)CN MCULE-1957568322 [1,0,0,0,0,0|1,1,1]=4 443 B4R0.1 CC(S)CN MCULE-7469442412 [1,0,0,0,0,0|1,1,1]=4 444 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,0,0,0,0|2,0,1]=4 445 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,0,0,0,0|2,0,1]=4 446 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,0,0,0,0|2,0,1]=4 447 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [1,0,0,0,0,0|2,0,1]=4 448 B4R0.1 CC=C(F)F MCULE-5544510852 [1,0,0,0,0,0|2,0,1]=4 449 B4R0.1 CCB(O)O MCULE-1650960999 [1,0,0,0,0,0|1,0,1]=3 450 B4R0.1 CCC(=N)N MCULE-1856575742 [1,0,0,0,0,0|2,0,0]=3 451 B4R0.1 CCC(=N)N MCULE-2534386807 [1,0,0,0,0,0|2,0,0]=3 452 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|1,0,0]=2 453 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|1,0,0]=2 454 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|1,0,0]=2 455 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|1,0,0]=2 456 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|1,0,0]=2 457 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|0,0,0]=1 458 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|0,0,0]=1 459 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|0,1,0]=2 460 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|0,0,1]=2 461 B4R0.1 CCC(=S)N MCULE-3921479699 [1,0,0,0,0,0|1,1,0]=3 462 B4R0.1 CCC(C)Br MCULE-9661620259 [1,0,0,0,0,0|2,0,1]=4 463 B4R0.1 CCC(C)C MCULE-5376105936 [1,0,0,0,0,0|2,0,1]=4 464 B4R0.1 CCC(C)Cl MCULE-2954418486 [1,0,0,0,0,0|2,0,1]=4 465 B4R0.1 CCC(C)I MCULE-5239699587 [1,0,0,0,0,0|2,0,1]=4 466 B4R0.1 CCC(C)N MCULE-5041676035 [1,0,0,0,0,0|2,0,1]=4 467 B4R0.1 CCC(C)N MCULE-5835091553 [1,0,0,0,0,0|2,0,1]=4 468 B4R0.1 CCC(C)N MCULE-6631606230 [1,0,0,0,0,0|2,0,1]=4 469 B4R0.1 CCC(C)N MCULE-8165681721 [1,0,0,0,0,0|2,0,1]=4 470 B4R0.1 CCC(C)O MCULE-4099350806 [1,0,0,0,0,0|1,0,1]=3 471 B4R0.1 CCC(C)O MCULE-5005120003 [1,0,0,0,0,0|1,0,1]=3 472 B4R0.1 CCC(C)S MCULE-4988033753 [1,0,0,0,0,0|1,1,1]=4 473 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,0,0,0,0,0|1,0,1]=3 474 B4R0.1 CCN(C)C MCULE-5825033552 [1,0,0,0,0,0|3,0,0]=4 475 B4R0.1 CCN(C)N MCULE-2279492356 [1,0,0,0,0,0|3,0,0]=4 476 B4R0.1 CCN(C)N MCULE-5660338703 [1,0,0,0,0,0|3,0,0]=4 477 B4R0.1 CCN(C)N MCULE-9839987578 [1,0,0,0,0,0|3,0,0]=4 478 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,0,0,0,0|2,0,0]=3 479 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|1,0,0]=2 480 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,0,0,0,0,0|1,0,1]=3 481 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,0,0,0,0,0|2,0,1]=4 482 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,0,0,0,0,0|2,0,1]=4 483 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,0,0,0,0,0|2,0,1]=4 484 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,0,0,0,0,0|2,0,1]=4 485 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,0,0,0,0,0|1,0,1]=3 486 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,0,0,0,0,0|1,0,1]=3 487 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,0,0,0,0,0|2,0,1]=4 488 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,0,0,0,0,0|2,0,1]=4 489 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,0,0,0,0,0|2,0,1]=4 490 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,0,0,0,0,0|2,0,1]=4 491 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,0,0,0,0,0|1,0,1]=3 492 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,0,0,0,0,0|1,0,1]=3 493 B4R0.1 CNC(=N)N MCULE-1074994749 [1,0,0,0,0,0|3,0,0]=4 494 B4R0.1 CNC(=N)N MCULE-6149731862 [1,0,0,0,0,0|3,0,0]=4 495 B4R0.1 CNC(=N)N MCULE-7667364021 [1,0,0,0,0,0|3,0,0]=4 496 B4R0.1 CNC(=N)N MCULE-7854448694 [1,0,0,0,0,0|3,0,0]=4 497 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,0,0,0,0|2,0,0]=3 498 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,0,0,0,0|2,0,0]=3 499 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,0,0,0,0|2,0,0]=3 500 B4R0.1 CNC(=S)C MCULE-8699171591 [1,0,0,0,0,0|2,1,0]=4 501 B4R0.1 CNC(=S)N MCULE-7103250725 [1,0,0,0,0,0|2,1,0]=4 502 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [1,0,0,0,0,0|1,2,0]=4 503 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [1,0,0,0,0,0|1,2,0]=4 504 B4R0.1 COC(=N)C MCULE-2752794913 [1,0,0,0,0,0|3,0,0]=4 505 B4R0.1 COC(=N)C MCULE-2904991083 [1,0,0,0,0,0|3,0,0]=4 506 B4R0.1 COC(=N)N MCULE-1611076737 [1,0,0,0,0,0|3,0,0]=4 507 B4R0.1 COC(=N)N MCULE-4923904579 [1,0,0,0,0,0|3,0,0]=4 508 B4R0.1 COC(=N)N MCULE-6696789855 [1,0,0,0,0,0|3,0,0]=4 509 B4R0.1 COC(=N)N MCULE-9171600210 [1,0,0,0,0,0|3,0,0]=4 510 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,0,0,0,0|2,0,0]=3 511 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,0,0,0,0|2,0,0]=3 512 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,0,0,0,0|2,0,0]=3 513 B4R0.1 COC(=S)N MCULE-9414558443 [1,0,0,0,0,0|2,1,0]=4 514 B4R0.1 COC(=S)[S-] MCULE-4829872223 [1,0,0,0,0,0|1,2,0]=4 515 B4R0.1 COC(=S)[S-] MCULE-6509496630 [1,0,0,0,0,0|1,2,0]=4 516 B4R0.1 CSC(=N)N MCULE-1471368384 [1,0,0,0,0,0|3,0,0]=4 517 B4R0.1 CSC(=N)N MCULE-3394284504 [1,0,0,0,0,0|3,0,0]=4 518 B4R0.1 CSC(=N)N MCULE-3752198299 [1,0,0,0,0,0|3,0,0]=4 519 B4R0.1 CSC(=N)N MCULE-5672446896 [1,0,0,0,0,0|3,0,0]=4 520 B4R0.1 CSC(=N)N MCULE-8409992127 [1,0,0,0,0,0|3,0,0]=4 521 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,0,0,0,0|2,0,0]=3 522 B4R0.1 CSC(=S)C MCULE-4836153374 [1,0,0,0,0,0|2,1,0]=4 523 B4R0.1 CSS(=O)C MCULE-6515592458 [1,0,0,0,0,0|3,0,0]=4 524 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [1,0,0,0,0,0|2,0,1]=4 525 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [1,0,0,0,0,0|2,0,1]=4 526 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [1,0,0,0,0,0|2,0,1]=4 527 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [1,0,0,0,0,0|2,0,1]=4 528 B4R0.1 C[C@@H](O)CCl MCULE-4669677883 [1,0,0,0,0,0|2,0,1]=4 529 B4R0.1 C[C@@H](O)CCl MCULE-7670590902 [1,0,0,0,0,0|2,0,1]=4 530 B4R0.1 C[C@@H](O)CN MCULE-9301041927 [1,0,0,0,0,0|1,0,1]=3 531 B4R0.1 C[C@@H](O)CO MCULE-4464598400 [1,0,0,0,0,0|2,0,1]=4 532 B4R0.1 C[C@@H](O)CO MCULE-9914833832 [1,0,0,0,0,0|2,0,1]=4 533 B4R0.1 C[C@@H](O)CS MCULE-8817452889 [1,0,0,0,0,0|2,0,1]=4 534 B4R0.1 C[C@H](N)CN MCULE-2048837128 [1,0,0,0,0,0|2,0,1]=4 535 B4R0.1 C[C@H](N)CN MCULE-4105152552 [1,0,0,0,0,0|2,0,1]=4 536 B4R0.1 C[C@H](N)CN MCULE-7106390536 [1,0,0,0,0,0|2,0,1]=4 537 B4R0.1 C[C@H](N)CN MCULE-9863306005 [1,0,0,0,0,0|2,0,1]=4 538 B4R0.1 C[C@H](O)CCl MCULE-3018109825 [1,0,0,0,0,0|2,0,1]=4 539 B4R0.1 C[C@H](O)CCl MCULE-5836677540 [1,0,0,0,0,0|2,0,1]=4 540 B4R0.1 C[C@H](O)CN MCULE-3227371869 [1,0,0,0,0,0|1,0,1]=3 541 B4R0.1 C[C@H](O)CN MCULE-5480489257 [1,0,0,0,0,0|1,0,1]=3 542 B4R0.1 C[C@H](O)CO MCULE-6582852191 [1,0,0,0,0,0|2,0,1]=4 543 B4R0.1 C[C@H](O)CO MCULE-8074793296 [1,0,0,0,0,0|2,0,1]=4 544 B4R0.1 C[C@H](O)CS MCULE-9061842733 [1,0,0,0,0,0|2,0,1]=4 545 B4R0.1 N=C(N)CCl MCULE-1495198330 [1,0,0,0,0,0|3,0,0]=4 546 B4R0.1 N=C(N)CCl MCULE-2087468158 [1,0,0,0,0,0|3,0,0]=4 547 B4R0.1 N=C(N)CF MCULE-4489534021 [1,0,0,0,0,0|3,0,0]=4 548 B4R0.1 N=C(N)CF MCULE-8858704396 [1,0,0,0,0,0|3,0,0]=4 549 B4R0.1 N=C(N)CN MCULE-2761790792 [1,0,0,0,0,0|2,0,0]=3 550 B4R0.1 N=C(N)CN MCULE-5131841850 [1,0,0,0,0,0|2,0,0]=3 551 B4R0.1 N=C(N)CN MCULE-6618111844 [1,0,0,0,0,0|2,0,0]=3 552 B4R0.1 N=C(N)CO MCULE-5146395919 [1,0,0,0,0,0|3,0,0]=4 553 B4R0.1 N=C(N)CO MCULE-8814507460 [1,0,0,0,0,0|3,0,0]=4 554 B4R0.1 N=C(N)NN MCULE-1109353559 [1,0,0,0,0,0|3,0,0]=4 555 B4R0.1 N=C(N)NN MCULE-3637328913 [1,0,0,0,0,0|3,0,0]=4 556 B4R0.1 N=C(N)NN MCULE-4551185793 [1,0,0,0,0,0|3,0,0]=4 557 B4R0.1 N=C(N)NN MCULE-8251830457 [1,0,0,0,0,0|3,0,0]=4 558 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|2,0,0]=3 559 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|2,0,0]=3 560 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|2,0,0]=3 561 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|2,0,0]=3 562 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|2,0,0]=3 563 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|2,0,0]=3 564 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,0,0,0,0|3,0,0]=4 565 B4R0.1 NC(=S)CF MCULE-7873791134 [1,0,0,0,0,0|2,1,0]=4 566 B4R0.1 NC(=S)CO MCULE-9301705313 [1,0,0,0,0,0|2,1,0]=4 567 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|1,0,0]=2 568 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|1,0,0]=2 569 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|1,0,0]=2 570 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|0,0,0]=1 571 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|0,0,0]=1 572 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|0,0,0]=1 573 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|0,0,0]=1 574 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|0,0,0]=1 575 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|0,1,0]=2 576 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|0,0,1]=2 577 B4R0.1 NCC(Cl)Cl MCULE-6022785182 [1,0,0,0,0,0|2,0,1]=4 578 B4R0.1 NCC(Cl)Cl MCULE-8181626787 [1,0,0,0,0,0|2,0,1]=4 579 B4R0.1 NCC(F)F MCULE-5562582586 [1,0,0,0,0,0|2,0,1]=4 580 B4R0.1 NCC(F)F MCULE-9437628707 [1,0,0,0,0,0|2,0,1]=4 581 B4R0.1 NCS(=O)[O-] MCULE-6627922989 [1,0,0,0,0,0|1,0,1]=3 582 B4R0.1 NCS(=O)[O-] MCULE-9434739250 [1,0,0,0,0,0|1,0,1]=3 583 B4R0.1 NN=C(N)N MCULE-4671721847 [1,0,0,0,0,0|3,0,0]=4 584 B4R0.1 NNC(=O)N MCULE-3392559370 [1,0,0,0,0,0|2,0,0]=3 585 B4R0.1 NNC(=O)N MCULE-8490374775 [1,0,0,0,0,0|2,0,0]=3 586 B4R0.1 NNC(=S)N MCULE-2970024636 [1,0,0,0,0,0|2,1,0]=4 587 B4R0.1 NNC(=S)N MCULE-6378380063 [1,0,0,0,0,0|2,1,0]=4 588 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|2,0,0]=3 589 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|2,0,0]=3 590 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|2,0,0]=3 591 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|2,0,0]=3 592 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|2,0,0]=3 593 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [1,0,0,0,0,0|3,0,0]=4 594 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|1,0,0]=2 595 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|1,0,0]=2 596 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|1,0,0]=2 597 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|1,0,0]=2 598 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|1,0,0]=2 599 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|1,0,0]=2 600 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|1,0,1]=3 601 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|1,0,1]=3 602 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|1,0,1]=3 603 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|1,0,1]=3 604 B4R0.1 O=CC(=O)O MCULE-5307898766 [1,0,0,0,0,0|1,0,1]=3 605 B4R0.1 O=N(=O)CBr MCULE-5030744397 [1,0,0,0,0,0|2,0,1]=4 606 B4R0.1 O=N(=O)CF MCULE-9920695539 [1,0,0,0,0,0|2,0,1]=4 607 B4R0.1 O=S(O)CO MCULE-4195832185 [1,0,0,0,0,0|2,0,0]=3 608 B4R0.1 O=S([O-])CF MCULE-5711587598 [1,0,0,0,0,0|2,0,1]=4 609 B4R0.1 O=S([O-])CF MCULE-9276464291 [1,0,0,0,0,0|2,0,1]=4 610 B4R0.1 O=S([O-])CO MCULE-5211722344 [1,0,0,0,0,0|2,0,1]=4 611 B4R0.1 OB(O)CCl MCULE-1740750359 [1,0,0,0,0,0|2,0,1]=4 612 B4R0.1 P(=O)(O)CN MCULE-5441171864 [1,0,0,0,0,0|1,0,0]=2 613 B4R0.1 [C@H](C)(O)CN MCULE-8212000072 [1,0,0,0,0,0|1,0,1]=3 614 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [1,0,0,0,0,0|2,0,1]=4 615 B4R0.2 BrC=CCBr MCULE-1480697982 [1,0,0,0,0,0|2,0,1]=4 616 B4R0.2 BrCCCBr MCULE-6500110480 [1,0,0,0,0,0|2,0,1]=4 617 B4R0.2 BrCCCI MCULE-6470610840 [1,0,0,0,0,0|2,0,1]=4 618 B4R0.2 C#CCCBr MCULE-1495603480 [1,0,0,0,0,0|2,0,1]=4 619 B4R0.2 C#CCCC MCULE-1233806896 [1,0,0,0,0,0|2,0,1]=4 620 B4R0.2 C#CCCCl MCULE-5602517887 [1,0,0,0,0,0|2,0,1]=4 621 B4R0.2 C#CCCI MCULE-2832310719 [1,0,0,0,0,0|2,0,1]=4 622 B4R0.2 C#CCCN MCULE-1223656854 [1,0,0,0,0,0|1,0,1]=3 623 B4R0.2 C#CCCN MCULE-6408469965 [1,0,0,0,0,0|1,0,1]=3 624 B4R0.2 C#CCCO MCULE-1797559276 [1,0,0,0,0,0|1,0,2]=4 625 B4R0.2 C#CCCO MCULE-8743964065 [1,0,0,0,0,0|1,0,2]=4 626 B4R0.2 C#CCNN MCULE-4982688533 [1,0,0,0,0,0|2,0,1]=4 627 B4R0.2 C#CCNN MCULE-9271344952 [1,0,0,0,0,0|2,0,1]=4 628 B4R0.2 C#CCNO MCULE-7210831528 [1,0,0,0,0,0|2,0,1]=4 629 B4R0.2 C#CCNO MCULE-8082854360 [1,0,0,0,0,0|2,0,1]=4 630 B4R0.2 C#CCON MCULE-1220634713 [1,0,0,0,0,0|2,0,1]=4 631 B4R0.2 C#CCON MCULE-5781631200 [1,0,0,0,0,0|2,0,1]=4 632 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,0,0,0,0,0|1,0,2]=4 633 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,0,0,0,0,0|2,0,1]=4 634 B4R0.2 C/C=C/CO MCULE-2383161163 [1,0,0,0,0,0|2,0,1]=4 635 B4R0.2 C/C=C\CO MCULE-5924662327 [1,0,0,0,0,0|2,0,1]=4 636 B4R0.2 C=C=CCN MCULE-5700871644 [1,0,0,0,0,0|1,0,2]=4 637 B4R0.2 C=C=CCN MCULE-9120483529 [1,0,0,0,0,0|1,0,2]=4 638 B4R0.2 C=CCC#N MCULE-2566589348 [1,0,0,0,0,0|1,0,2]=4 639 B4R0.2 C=CCCBr MCULE-2890129103 [1,0,0,0,0,0|2,0,0]=3 640 B4R0.2 C=CCCC MCULE-8386546337 [1,0,0,0,0,0|2,0,0]=3 641 B4R0.2 C=CCCCl MCULE-5903789900 [1,0,0,0,0,0|2,0,0]=3 642 B4R0.2 C=CCCI MCULE-1055671394 [1,0,0,0,0,0|2,0,0]=3 643 B4R0.2 C=CCCN MCULE-2471716627 [1,0,0,0,0,0|1,0,0]=2 644 B4R0.2 C=CCCN MCULE-2881108697 [1,0,0,0,0,0|1,0,0]=2 645 B4R0.2 C=CCCO MCULE-4582400839 [1,0,0,0,0,0|2,0,0]=3 646 B4R0.2 C=CCNC MCULE-3335720336 [1,0,0,0,0,0|3,0,0]=4 647 B4R0.2 C=CCNN MCULE-2550690274 [1,0,0,0,0,0|2,0,0]=3 648 B4R0.2 C=CCNN MCULE-3554567414 [1,0,0,0,0,0|2,0,0]=3 649 B4R0.2 C=CCNN MCULE-8741523989 [1,0,0,0,0,0|2,0,0]=3 650 B4R0.2 C=CCOC MCULE-3321225771 [1,0,0,0,0,0|3,0,0]=4 651 B4R0.2 C=CCON MCULE-2094787759 [1,0,0,0,0,0|2,0,0]=3 652 B4R0.2 C=CCON MCULE-6222602533 [1,0,0,0,0,0|2,0,0]=3 653 B4R0.2 C=CCSC MCULE-4452023915 [1,0,0,0,0,0|3,0,0]=4 654 B4R0.2 C=CNC=O MCULE-8403928899 [1,0,0,0,0,0|2,0,1]=4 655 B4R0.2 C=COCC MCULE-2569047033 [1,0,0,0,0,0|3,0,0]=4 656 B4R0.2 C=CSCC MCULE-8927374165 [1,0,0,0,0,0|3,0,0]=4 657 B4R0.2 CC#CC=O MCULE-9270622693 [1,0,0,0,0,0|1,0,2]=4 658 B4R0.2 CC#CCN MCULE-7027146471 [1,0,0,0,0,0|1,0,2]=4 659 B4R0.2 CC#CCN MCULE-9570644542 [1,0,0,0,0,0|1,0,2]=4 660 B4R0.2 CC=CC=O MCULE-2497362981 [1,0,0,0,0,0|1,0,2]=4 661 B4R0.2 CC=CCBr MCULE-7855581866 [1,0,0,0,0,0|2,0,1]=4 662 B4R0.2 CC=CCC MCULE-5931905453 [1,0,0,0,0,0|2,0,1]=4 663 B4R0.2 CC=CCCl MCULE-3941962217 [1,0,0,0,0,0|2,0,1]=4 664 B4R0.2 CC=CCO MCULE-7490725844 [1,0,0,0,0,0|2,0,1]=4 665 B4R0.2 CCC=CBr MCULE-4471551501 [1,0,0,0,0,0|2,0,1]=4 666 B4R0.2 CCC=NO MCULE-9457280654 [1,0,0,0,0,0|2,0,1]=4 667 B4R0.2 CCCC#N MCULE-8571076087 [1,0,0,0,0,0|2,0,1]=4 668 B4R0.2 CCCC=O MCULE-8530391347 [1,0,0,0,0,0|1,0,0]=2 669 B4R0.2 CCCCBr MCULE-3390217131 [1,0,0,0,0,0|2,0,1]=4 670 B4R0.2 CCCCC MCULE-4643148765 [1,0,0,0,0,0|2,0,1]=4 671 B4R0.2 CCCCCl MCULE-5329900290 [1,0,0,0,0,0|2,0,1]=4 672 B4R0.2 CCCCF MCULE-7225760858 [1,0,0,0,0,0|2,0,1]=4 673 B4R0.2 CCCCI MCULE-1160974720 [1,0,0,0,0,0|2,0,1]=4 674 B4R0.2 CCCCN MCULE-1731874934 [1,0,0,0,0,0|1,0,1]=3 675 B4R0.2 CCCCN MCULE-4233278050 [1,0,0,0,0,0|1,0,1]=3 676 B4R0.2 CCCCN MCULE-5242069370 [1,0,0,0,0,0|1,0,1]=3 677 B4R0.2 CCCCN MCULE-7343835253 [1,0,0,0,0,0|1,0,1]=3 678 B4R0.2 CCCCO MCULE-1571156443 [1,0,0,0,0,0|1,0,1]=3 679 B4R0.2 CCCCS MCULE-9441213933 [1,0,0,0,0,0|1,1,1]=4 680 B4R0.2 CCCNC MCULE-2266616259 [1,0,0,0,0,0|3,0,0]=4 681 B4R0.2 CCCNC MCULE-7722796872 [1,0,0,0,0,0|3,0,0]=4 682 B4R0.2 CCCNN MCULE-4121438775 [1,0,0,0,0,0|2,0,1]=4 683 B4R0.2 CCCNN MCULE-5875592228 [1,0,0,0,0,0|2,0,1]=4 684 B4R0.2 CCCNN MCULE-9585694661 [1,0,0,0,0,0|2,0,1]=4 685 B4R0.2 CCCOC MCULE-5854067718 [1,0,0,0,0,0|3,0,0]=4 686 B4R0.2 CCCON MCULE-4800172637 [1,0,0,0,0,0|2,0,1]=4 687 B4R0.2 CCCON MCULE-7988781002 [1,0,0,0,0,0|2,0,1]=4 688 B4R0.2 CCCSC MCULE-8387041737 [1,0,0,0,0,0|3,0,0]=4 689 B4R0.2 CCN=C=O MCULE-6522145601 [1,0,0,0,0,0|2,0,1]=4 690 B4R0.2 CCNC=O MCULE-9309926274 [1,0,0,0,0,0|2,0,0]=3 691 B4R0.2 CCOC=N MCULE-5321655909 [1,0,0,0,0,0|3,0,0]=4 692 B4R0.2 CCOC=N MCULE-8158357614 [1,0,0,0,0,0|3,0,0]=4 693 B4R0.2 CCOC=O MCULE-6245072161 [1,0,0,0,0,0|2,0,0]=3 694 B4R0.2 CNCCBr MCULE-3708780806 [1,0,0,0,0,0|3,0,0]=4 695 B4R0.2 CNCCBr MCULE-6840755559 [1,0,0,0,0,0|3,0,0]=4 696 B4R0.2 CNCCCl MCULE-1666345560 [1,0,0,0,0,0|3,0,0]=4 697 B4R0.2 CNCCCl MCULE-8215813413 [1,0,0,0,0,0|3,0,0]=4 698 B4R0.2 CNCCF MCULE-3719880423 [1,0,0,0,0,0|3,0,0]=4 699 B4R0.2 CNCCF MCULE-3751701745 [1,0,0,0,0,0|3,0,0]=4 700 B4R0.2 CNCCI MCULE-7026781832 [1,0,0,0,0,0|3,0,0]=4 701 B4R0.2 CNCCI MCULE-8892686580 [1,0,0,0,0,0|3,0,0]=4 702 B4R0.2 CNCCN MCULE-2881688448 [1,0,0,0,0,0|2,0,0]=3 703 B4R0.2 CNCCN MCULE-7199403269 [1,0,0,0,0,0|2,0,0]=3 704 B4R0.2 CNCCO MCULE-7051900771 [1,0,0,0,0,0|2,0,1]=4 705 B4R0.2 CNCCO MCULE-7934732981 [1,0,0,0,0,0|2,0,1]=4 706 B4R0.2 CNCCS MCULE-6430516369 [1,0,0,0,0,0|3,0,0]=4 707 B4R0.2 COCC=O MCULE-9427361019 [1,0,0,0,0,0|2,0,0]=3 708 B4R0.2 COCCBr MCULE-8316331262 [1,0,0,0,0,0|3,0,0]=4 709 B4R0.2 COCCCl MCULE-8886627413 [1,0,0,0,0,0|3,0,0]=4 710 B4R0.2 COCCI MCULE-9391124374 [1,0,0,0,0,0|3,0,0]=4 711 B4R0.2 COCCN MCULE-5051556646 [1,0,0,0,0,0|2,0,0]=3 712 B4R0.2 COCCN MCULE-7519068386 [1,0,0,0,0,0|2,0,0]=3 713 B4R0.2 COCCO MCULE-4751927883 [1,0,0,0,0,0|2,0,1]=4 714 B4R0.2 COCCS MCULE-7803276094 [1,0,0,0,0,0|3,0,0]=4 715 B4R0.2 COCON MCULE-6032854331 [1,0,0,0,0,0|3,0,0]=4 716 B4R0.2 CSCCBr MCULE-1684461541 [1,0,0,0,0,0|3,0,0]=4 717 B4R0.2 CSCCCl MCULE-8593103756 [1,0,0,0,0,0|3,0,0]=4 718 B4R0.2 CSCCN MCULE-5168245255 [1,0,0,0,0,0|2,0,0]=3 719 B4R0.2 CSCCN MCULE-6275285732 [1,0,0,0,0,0|2,0,0]=3 720 B4R0.2 CSCCO MCULE-9706874325 [1,0,0,0,0,0|2,0,1]=4 721 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [1,0,0,0,0,0|2,0,1]=4 722 B4R0.2 ClC/C=C/Br MCULE-1061414929 [1,0,0,0,0,0|2,0,1]=4 723 B4R0.2 ClC=CCCl MCULE-4655672652 [1,0,0,0,0,0|2,0,1]=4 724 B4R0.2 ClCCCBr MCULE-7937580875 [1,0,0,0,0,0|2,0,1]=4 725 B4R0.2 ClCCCCl MCULE-6693270397 [1,0,0,0,0,0|2,0,1]=4 726 B4R0.2 ClCCCI MCULE-1521526833 [1,0,0,0,0,0|2,0,1]=4 727 B4R0.2 FCCCBr MCULE-5674735753 [1,0,0,0,0,0|2,0,1]=4 728 B4R0.2 FCCCF MCULE-1803511350 [1,0,0,0,0,0|2,0,1]=4 729 B4R0.2 FCCCI MCULE-9287814857 [1,0,0,0,0,0|2,0,1]=4 730 B4R0.2 ICCCI MCULE-9849754168 [1,0,0,0,0,0|2,0,1]=4 731 B4R0.2 N#CCCBr MCULE-1744180602 [1,0,0,0,0,0|2,0,1]=4 732 B4R0.2 N#CCCCl MCULE-3511379481 [1,0,0,0,0,0|2,0,1]=4 733 B4R0.2 N#CCCI MCULE-1591942951 [1,0,0,0,0,0|2,0,1]=4 734 B4R0.2 N#CCCN MCULE-8482296338 [1,0,0,0,0,0|1,0,1]=3 735 B4R0.2 N#CCCN MCULE-9518086954 [1,0,0,0,0,0|1,0,1]=3 736 B4R0.2 N#CCCO MCULE-5098987368 [1,0,0,0,0,0|0,0,3]=4 737 B4R0.2 N#CCCS MCULE-7199964466 [1,0,0,0,0,0|2,0,1]=4 738 B4R0.2 N#CCNO MCULE-6808474875 [1,0,0,0,0,0|1,0,2]=4 739 B4R0.2 N#CCON MCULE-1849571406 [1,0,0,0,0,0|2,0,1]=4 740 B4R0.2 N#CCON MCULE-2156159928 [1,0,0,0,0,0|2,0,1]=4 741 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,0,0,0,0,0|0,0,2]=3 742 B4R0.2 NC=CC=O MCULE-4070918342 [1,0,0,0,0,0|0,0,2]=3 743 B4R0.2 NCCCBr MCULE-5485748003 [1,0,0,0,0,0|1,0,1]=3 744 B4R0.2 NCCCBr MCULE-7072709972 [1,0,0,0,0,0|1,0,1]=3 745 B4R0.2 NCCCCl MCULE-1324157004 [1,0,0,0,0,0|1,0,1]=3 746 B4R0.2 NCCCCl MCULE-3667248190 [1,0,0,0,0,0|1,0,1]=3 747 B4R0.2 NCCCF MCULE-5215746973 [1,0,0,0,0,0|1,0,1]=3 748 B4R0.2 NCCCF MCULE-8077133369 [1,0,0,0,0,0|1,0,1]=3 749 B4R0.2 NCCCI MCULE-3534892097 [1,0,0,0,0,0|1,0,1]=3 750 B4R0.2 NCCCI MCULE-8010453546 [1,0,0,0,0,0|1,0,1]=3 751 B4R0.2 NCCCN MCULE-4293255820 [1,0,0,0,0,0|1,0,1]=3 752 B4R0.2 NCCCN MCULE-5041378433 [1,0,0,0,0,0|1,0,1]=3 753 B4R0.2 NCCCN MCULE-6944452060 [1,0,0,0,0,0|1,0,1]=3 754 B4R0.2 NCCCN MCULE-7375662153 [1,0,0,0,0,0|1,0,1]=3 755 B4R0.2 NCCCN MCULE-8277465929 [1,0,0,0,0,0|1,0,1]=3 756 B4R0.2 NCCCN MCULE-9929373126 [1,0,0,0,0,0|1,0,1]=3 757 B4R0.2 NCCCO MCULE-2851278356 [1,0,0,0,0,0|0,0,1]=2 758 B4R0.2 NCCCO MCULE-9698089092 [1,0,0,0,0,0|0,0,1]=2 759 B4R0.2 NCCCS MCULE-3994478020 [1,0,0,0,0,0|0,1,1]=3 760 B4R0.2 NCCCS MCULE-7730973866 [1,0,0,0,0,0|0,1,1]=3 761 B4R0.2 NCCON MCULE-3613980902 [1,0,0,0,0,0|2,0,0]=3 762 B4R0.2 NCCON MCULE-7030217952 [1,0,0,0,0,0|2,0,0]=3 763 B4R0.2 NCCON MCULE-8959912781 [1,0,0,0,0,0|2,0,0]=3 764 B4R0.2 NNCCF MCULE-2712460031 [1,0,0,0,0,0|2,0,1]=4 765 B4R0.2 NNCCF MCULE-8505927457 [1,0,0,0,0,0|2,0,1]=4 766 B4R0.2 NNCCO MCULE-1290652744 [1,0,0,0,0,0|1,0,1]=3 767 B4R0.2 NOCCBr MCULE-2796346082 [1,0,0,0,0,0|2,0,1]=4 768 B4R0.2 NOCCBr MCULE-5636354898 [1,0,0,0,0,0|2,0,1]=4 769 B4R0.2 NOCCCl MCULE-5981688956 [1,0,0,0,0,0|2,0,1]=4 770 B4R0.2 NOCCF MCULE-1813481600 [1,0,0,0,0,0|2,0,1]=4 771 B4R0.2 NOCCF MCULE-2993254805 [1,0,0,0,0,0|2,0,1]=4 772 B4R0.2 NOCCO MCULE-2545004367 [1,0,0,0,0,0|1,0,1]=3 773 B4R0.2 O=C=NCCl MCULE-7751104052 [1,0,0,0,0,0|2,0,1]=4 774 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,0,0,0,0|1,0,0]=2 775 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,0,0,0,0|1,0,0]=2 776 B4R0.2 O=CCCI MCULE-9771140462 [1,0,0,0,0,0|1,0,0]=2 777 B4R0.2 O=CCCO MCULE-1685289763 [1,0,0,0,0,0|1,0,0]=2 778 B4R0.2 O=CNC=O MCULE-3098379420 [1,0,0,0,0,0|2,0,1]=4 779 B4R0.2 O=COC=O MCULE-6311384332 [1,0,0,0,0,0|2,0,1]=4 780 B4R0.2 O=C[N-]C=O MCULE-4923470284 [1,0,0,0,0,0|2,0,1]=4 781 B4R0.2 OC=CCCl MCULE-4750991393 [1,0,0,0,0,0|1,0,1]=3 782 B4R0.2 OCC=CBr MCULE-4636104289 [1,0,0,0,0,0|2,0,1]=4 783 B4R0.2 OCC=CCl MCULE-2110127594 [1,0,0,0,0,0|2,0,1]=4 784 B4R0.2 OCCCBr MCULE-3450011527 [1,0,0,0,0,0|1,0,1]=3 785 B4R0.2 OCCCCl MCULE-2319230957 [1,0,0,0,0,0|1,0,1]=3 786 B4R0.2 OCCCF MCULE-2347934403 [1,0,0,0,0,0|1,0,1]=3 787 B4R0.2 OCCCI MCULE-5200713967 [1,0,0,0,0,0|1,0,1]=3 788 B4R0.2 OCCCO MCULE-5166824786 [1,0,0,0,0,0|1,0,1]=3 789 B4R0.2 OCCCS MCULE-7930164048 [1,0,0,0,0,0|1,0,1]=3 790 B4R0.2 ON=CCCl MCULE-5736695742 [1,0,0,0,0,0|2,0,1]=4 791 B4R0.2 PCCCP MCULE-6048146071 [1,0,0,0,0,0|1,1,1]=4 792 B4R0.2 SCCCBr MCULE-4627341228 [1,0,0,0,0,0|1,1,1]=4 793 B4R0.2 SCCCCl MCULE-6410389127 [1,0,0,0,0,0|1,1,1]=4 794 B4R0.2 SCCCS MCULE-8220630729 [1,0,0,0,0,0|1,1,1]=4 795 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,1,0,0,0,0|2,0,0]=3 796 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,1,0,0,0,0|3,0,0]=4 797 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,1,0,0,0,0|3,0,0]=4 798 B6R0.1 C#CC(O)CCC MCULE-6152066005 [0,1,0,0,0,0|2,0,1]=4 799 B6R0.1 C#CCC(=O)OC MCULE-8097491486 [0,1,0,0,0,0|1,0,1]=3 800 B6R0.1 C/C=C/C(=O)OC MCULE-8935178488 [0,1,0,0,0,0|1,0,2]=4 801 B6R0.1 C=C(CC)CCO MCULE-5317656776 [0,1,0,0,0,0|3,0,0]=4 802 B6R0.1 C=C=CC(=O)OC MCULE-7885631451 [0,1,0,0,0,0|1,0,2]=4 803 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,1,0,0,0,0|2,0,0]=3 804 B6R0.1 C=CC(=O)COC MCULE-1933195578 [0,1,0,0,0,0|3,0,0]=4 805 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,1,0,0,0,0|3,0,0]=4 806 B6R0.1 C=CC(=O)NCO MCULE-3627112877 [0,1,0,0,0,0|3,0,0]=4 807 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,1,0,0,0,0|3,0,0]=4 808 B6R0.1 C=CC(O)CCC MCULE-3664453040 [0,1,0,0,0,0|2,0,1]=4 809 B6R0.1 C=CC(O)CCN MCULE-9346205308 [0,1,0,0,0,0|1,0,1]=3 810 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [0,1,0,0,0,0|2,0,1]=4 811 B6R0.1 C=CCC(=O)CN MCULE-3960819679 [0,1,0,0,0,0|2,0,1]=4 812 B6R0.1 C=CCC(=O)CN MCULE-8089375331 [0,1,0,0,0,0|2,0,1]=4 813 B6R0.1 C=CCC(=O)NC MCULE-4823208577 [0,1,0,0,0,0|2,0,1]=4 814 B6R0.1 C=CCC(=O)OC MCULE-5546680906 [0,1,0,0,0,0|1,0,1]=3 815 B6R0.1 CC#CC(=O)OC MCULE-6108678475 [0,1,0,0,0,0|1,0,2]=4 816 B6R0.1 CC(=CCN)C#N MCULE-1319014311 [0,1,0,0,0,0|2,0,1]=4 817 B6R0.1 CC(=CCN)C#N MCULE-4924794215 [0,1,0,0,0,0|2,0,1]=4 818 B6R0.1 CC(CN)CCN MCULE-2719332037 [0,1,0,0,0,0|2,0,1]=4 819 B6R0.1 CC(CN)CCN MCULE-4200375624 [0,1,0,0,0,0|2,0,1]=4 820 B6R0.1 CC(CO)CCN MCULE-9900244005 [0,1,0,0,0,0|1,0,1]=3 821 B6R0.1 CC(CO)CCO MCULE-5240961149 [0,1,0,0,0,0|2,0,1]=4 822 B6R0.1 CC(CO)CCO MCULE-8678967805 [0,1,0,0,0,0|2,0,1]=4 823 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,1,0,0,0,0|2,0,1]=4 824 B6R0.1 CC=CC(=O)OC MCULE-1093700917 [0,1,0,0,0,0|1,0,2]=4 825 B6R0.1 CCC(=O)CC#N MCULE-6150629588 [0,1,0,0,0,0|1,0,2]=4 826 B6R0.1 CCC(=O)CNC MCULE-3030105640 [0,1,0,0,0,0|3,0,0]=4 827 B6R0.1 CCC(=O)CNC MCULE-6945295017 [0,1,0,0,0,0|3,0,0]=4 828 B6R0.1 CCC(=O)COC MCULE-1087802011 [0,1,0,0,0,0|3,0,0]=4 829 B6R0.1 CCC(=O)CSC MCULE-3230433182 [0,1,0,0,0,0|3,0,0]=4 830 B6R0.1 CCC(=O)OCCl MCULE-6975707373 [0,1,0,0,0,0|3,0,0]=4 831 B6R0.1 CCC(C)CCN MCULE-4140800594 [0,1,0,0,0,0|2,0,1]=4 832 B6R0.1 CCC(C)CCN MCULE-5509248218 [0,1,0,0,0,0|2,0,1]=4 833 B6R0.1 CCC(N)CCN MCULE-8956610037 [0,1,0,0,0,0|2,0,1]=4 834 B6R0.1 CCC(O)CCN MCULE-5387303971 [0,1,0,0,0,0|1,0,1]=3 835 B6R0.1 CCC(O)CCO MCULE-5156075792 [0,1,0,0,0,0|2,0,1]=4 836 B6R0.1 CCC(O)CNN MCULE-1038166714 [0,1,0,0,0,0|2,0,1]=4 837 B6R0.1 CCC(O)CNN MCULE-6391104058 [0,1,0,0,0,0|2,0,1]=4 838 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,1,0,0,0,0|2,0,0]=3 839 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,1,0,0,0,0|2,0,0]=3 840 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,1,0,0,0,0|2,0,1]=4 841 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,1,0,0,0,0|2,0,0]=3 842 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,1,0,0,0,0|2,0,0]=3 843 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,1,0,0,0,0|2,0,0]=3 844 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,1,0,0,0,0|2,0,0]=3 845 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,1,0,0,0,0|2,0,0]=3 846 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,1,0,0,0,0|2,0,0]=3 847 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,1,0,0,0,0|1,0,0]=2 848 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,1,0,0,0,0|2,0,0]=3 849 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,1,0,0,0,0|2,0,0]=3 850 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,1,0,0,0,0|1,0,0]=2 851 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,1,0,0,0,0|1,0,0]=2 852 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,1,0,0,0,0|1,1,0]=3 853 B6R0.1 CCCC(=S)OC MCULE-8125476093 [0,1,0,0,0,0|1,1,0]=3 854 B6R0.1 CCCC(C)C=O MCULE-9756444218 [0,1,0,0,0,0|2,0,1]=4 855 B6R0.1 CCCC(C)CO MCULE-9777250826 [0,1,0,0,0,0|2,0,1]=4 856 B6R0.1 CCCC(N)CO MCULE-3404967504 [0,1,0,0,0,0|2,0,1]=4 857 B6R0.1 CCCC(N)CO MCULE-3802448518 [0,1,0,0,0,0|2,0,1]=4 858 B6R0.1 CCCC(N)CO MCULE-4259078445 [0,1,0,0,0,0|2,0,1]=4 859 B6R0.1 CCCC(N)CO MCULE-6425025734 [0,1,0,0,0,0|2,0,1]=4 860 B6R0.1 CCCC(O)C#N MCULE-7017059503 [0,1,0,0,0,0|2,0,1]=4 861 B6R0.1 CCCC(O)CBr MCULE-5186252424 [0,1,0,0,0,0|2,0,1]=4 862 B6R0.1 CCCC(O)CC MCULE-9504041935 [0,1,0,0,0,0|2,0,1]=4 863 B6R0.1 CCCC(O)CCl MCULE-4737360217 [0,1,0,0,0,0|2,0,1]=4 864 B6R0.1 CCCC(O)CN MCULE-9402934997 [0,1,0,0,0,0|2,0,1]=4 865 B6R0.1 CCCC(O)CO MCULE-5124107719 [0,1,0,0,0,0|1,0,2]=4 866 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [0,1,0,0,0,0|2,0,1]=4 867 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [0,1,0,0,0,0|2,0,1]=4 868 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [0,1,0,0,0,0|2,0,1]=4 869 B6R0.1 CCC[C@@H](O)CC MCULE-7377135785 [0,1,0,0,0,0|2,0,1]=4 870 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [0,1,0,0,0,0|2,0,1]=4 871 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [0,1,0,0,0,0|2,0,1]=4 872 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [0,1,0,0,0,0|2,0,1]=4 873 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [0,1,0,0,0,0|2,0,1]=4 874 B6R0.1 CCC[C@H](O)CC MCULE-2229025348 [0,1,0,0,0,0|2,0,1]=4 875 B6R0.1 CCN(C)CCN MCULE-9503910262 [0,1,0,0,0,0|3,0,0]=4 876 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,1,0,0,0,0|3,0,0]=4 877 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,1,0,0,0,0|3,0,0]=4 878 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,1,0,0,0,0|3,0,0]=4 879 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,1,0,0,0,0|3,0,0]=4 880 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,1,0,0,0,0|3,0,0]=4 881 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,1,0,0,0,0|2,0,0]=3 882 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,1,0,0,0,0|3,0,0]=4 883 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,1,0,0,0,0|3,0,0]=4 884 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,1,0,0,0,0|2,0,0]=3 885 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,1,0,0,0,0|2,0,0]=3 886 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,1,0,0,0,0|3,0,0]=4 887 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,1,0,0,0,0|3,0,0]=4 888 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,1,0,0,0,0|3,0,0]=4 889 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,1,0,0,0,0|3,0,0]=4 890 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,1,0,0,0,0|2,0,1]=4 891 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,1,0,0,0,0|3,0,0]=4 892 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,1,0,0,0,0|3,0,0]=4 893 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,1,0,0,0,0|3,0,0]=4 894 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,1,0,0,0,0|3,0,0]=4 895 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,1,0,0,0,0|3,0,0]=4 896 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,1,0,0,0,0|3,0,0]=4 897 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,1,0,0,0,0|3,0,0]=4 898 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,1,0,0,0,0|2,0,0]=3 899 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,1,0,0,0,0|2,1,0]=4 900 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,1,0,0,0,0|3,0,0]=4 901 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,1,0,0,0,0|3,0,0]=4 902 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,1,0,0,0,0|2,0,0]=3 903 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,1,0,0,0,0|2,0,0]=3 904 B6R0.1 CCS(=O)CCCl MCULE-1910591721 [0,1,0,0,0,0|3,0,0]=4 905 B6R0.1 CCS(=O)CCN MCULE-7201812983 [0,1,0,0,0,0|2,0,0]=3 906 B6R0.1 CCS(=O)CCN MCULE-7831905163 [0,1,0,0,0,0|2,0,0]=3 907 B6R0.1 CCS(=O)CCO MCULE-8290368918 [0,1,0,0,0,0|3,0,0]=4 908 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,1,0,0,0,0|3,0,0]=4 909 B6R0.1 CN(C=O)CCO MCULE-3588371476 [0,1,0,0,0,0|3,0,0]=4 910 B6R0.1 CN(CCO)N=O MCULE-3975606321 [0,1,0,0,0,0|3,0,0]=4 911 B6R0.1 CNC(=O)CC#N MCULE-2970000161 [0,1,0,0,0,0|1,0,2]=4 912 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,1,0,0,0,0|2,0,0]=3 913 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,1,0,0,0,0|2,0,0]=3 914 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,1,0,0,0,0|1,0,0]=2 915 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,1,0,0,0,0|1,0,0]=2 916 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,1,0,0,0,0|2,0,0]=3 917 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,1,0,0,0,0|2,0,0]=3 918 B6R0.1 CNC(=O)CON MCULE-6451598359 [0,1,0,0,0,0|2,0,0]=3 919 B6R0.1 CNC(=O)CON MCULE-8743298594 [0,1,0,0,0,0|2,0,0]=3 920 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,1,0,0,0,0|3,0,0]=4 921 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,1,0,0,0,0|3,0,0]=4 922 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,1,0,0,0,0|3,0,0]=4 923 B6R0.1 CNCC(=O)OC MCULE-1667683926 [0,1,0,0,0,0|2,0,0]=3 924 B6R0.1 CNCC(=O)OC MCULE-5530863658 [0,1,0,0,0,0|2,0,0]=3 925 B6R0.1 CNN(C)CCN MCULE-3863653213 [0,1,0,0,0,0|3,0,0]=4 926 B6R0.1 CNNC(=O)OC MCULE-4763095719 [0,1,0,0,0,0|3,0,0]=4 927 B6R0.1 COC(=N)CC#N MCULE-1828487034 [0,1,0,0,0,0|1,0,2]=4 928 B6R0.1 COC(=N)CC#N MCULE-5000327296 [0,1,0,0,0,0|1,0,2]=4 929 B6R0.1 COC(=N)CCCl MCULE-1997539408 [0,1,0,0,0,0|2,0,0]=3 930 B6R0.1 COC(=N)CCCl MCULE-2235564076 [0,1,0,0,0,0|2,0,0]=3 931 B6R0.1 COC(=N)CCO MCULE-1904978557 [0,1,0,0,0,0|2,0,0]=3 932 B6R0.1 COC(=N)CCO MCULE-8146089973 [0,1,0,0,0,0|2,0,0]=3 933 B6R0.1 COC(=O)/C=C/Br MCULE-8282646495 [0,1,0,0,0,0|1,0,2]=4 934 B6R0.1 COC(=O)/C=C/I MCULE-2652779390 [0,1,0,0,0,0|1,0,2]=4 935 B6R0.1 COC(=O)/C=C\Br MCULE-8147758029 [0,1,0,0,0,0|1,0,2]=4 936 B6R0.1 COC(=O)/C=C\I MCULE-9091408550 [0,1,0,0,0,0|1,0,2]=4 937 B6R0.1 COC(=O)C#CBr MCULE-2452280844 [0,1,0,0,0,0|1,0,2]=4 938 B6R0.1 COC(=O)C#CI MCULE-2688506741 [0,1,0,0,0,0|1,0,2]=4 939 B6R0.1 COC(=O)C=CBr MCULE-6878439912 [0,1,0,0,0,0|1,0,2]=4 940 B6R0.1 COC(=O)C=CCl MCULE-6895925134 [0,1,0,0,0,0|1,0,2]=4 941 B6R0.1 COC(=O)C=CI MCULE-1616048599 [0,1,0,0,0,0|1,0,2]=4 942 B6R0.1 COC(=O)C=CN MCULE-4685220707 [0,1,0,0,0,0|0,0,2]=3 943 B6R0.1 COC(=O)CC#N MCULE-2699345092 [0,1,0,0,0,0|0,0,2]=3 944 B6R0.1 COC(=O)CC=O MCULE-6624474559 [0,1,0,0,0,0|1,0,1]=3 945 B6R0.1 COC(=O)CCBr MCULE-3565567444 [0,1,0,0,0,0|1,0,0]=2 946 B6R0.1 COC(=O)CCCl MCULE-5034007224 [0,1,0,0,0,0|1,0,0]=2 947 B6R0.1 COC(=O)CCI MCULE-5984806612 [0,1,0,0,0,0|1,0,0]=2 948 B6R0.1 COC(=O)CCN MCULE-2306060188 [0,1,0,0,0,0|0,0,0]=1 949 B6R0.1 COC(=O)CCN MCULE-8245275833 [0,1,0,0,0,0|0,0,0]=1 950 B6R0.1 COC(=O)CCO MCULE-8538834260 [0,1,0,0,0,0|1,0,0]=2 951 B6R0.1 COC(=O)CCS MCULE-1695345183 [0,1,0,0,0,0|1,0,0]=2 952 B6R0.1 COC(=O)CNN MCULE-3287579794 [0,1,0,0,0,0|1,0,0]=2 953 B6R0.1 COC(=O)CNN MCULE-3838874166 [0,1,0,0,0,0|1,0,0]=2 954 B6R0.1 COC(=O)CON MCULE-4799038238 [0,1,0,0,0,0|1,0,0]=2 955 B6R0.1 COC(=O)CSC MCULE-6735536033 [0,1,0,0,0,0|2,0,0]=3 956 B6R0.1 COC(=O)N=C=S MCULE-2981767233 [0,1,0,0,0,0|2,0,1]=4 957 B6R0.1 COC(=O)NC=O MCULE-9852632340 [0,1,0,0,0,0|2,0,1]=4 958 B6R0.1 COC(=O)OCCl MCULE-7856529986 [0,1,0,0,0,0|2,0,0]=3 959 B6R0.1 COC(=O)OCF MCULE-4705008675 [0,1,0,0,0,0|2,0,0]=3 960 B6R0.1 COC(=O)OCI MCULE-8692720175 [0,1,0,0,0,0|2,0,0]=3 961 B6R0.1 COC(C)CCN MCULE-8081876282 [0,1,0,0,0,0|1,0,1]=3 962 B6R0.1 COC(C)CCN MCULE-8892057529 [0,1,0,0,0,0|1,0,1]=3 963 B6R0.1 COC(C)CCO MCULE-7396381165 [0,1,0,0,0,0|2,0,1]=4 964 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,1,0,0,0,0|3,0,0]=4 965 B6R0.1 COCC(=N)OC MCULE-2350779439 [0,1,0,0,0,0|3,0,0]=4 966 B6R0.1 COCC(=N)OC MCULE-7810421458 [0,1,0,0,0,0|3,0,0]=4 967 B6R0.1 COCC(=O)CCl MCULE-7542636020 [0,1,0,0,0,0|3,0,0]=4 968 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,1,0,0,0,0|3,0,0]=4 969 B6R0.1 COCC(=O)OC MCULE-8337685268 [0,1,0,0,0,0|2,0,0]=3 970 B6R0.1 CON(C)CCN MCULE-9318319159 [0,1,0,0,0,0|2,0,0]=3 971 B6R0.1 CONC(=O)OC MCULE-9304532248 [0,1,0,0,0,0|3,0,0]=4 972 B6R0.1 CSC(C)CCN MCULE-5474458753 [0,1,0,0,0,0|1,1,1]=4 973 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,1,0,0,0,0|3,0,0]=4 974 B6R0.1 CSCC(=O)NN MCULE-8151954663 [0,1,0,0,0,0|3,0,0]=4 975 B6R0.1 C[C@@H](CO)CCN MCULE-4422620011 [0,1,0,0,0,0|1,0,1]=3 976 B6R0.1 C[C@@H](CO)CCN MCULE-7560169391 [0,1,0,0,0,0|1,0,1]=3 977 B6R0.1 C[C@@H](CO)CCO MCULE-6545491289 [0,1,0,0,0,0|2,0,1]=4 978 B6R0.1 C[C@H](CO)CCO MCULE-2543010074 [0,1,0,0,0,0|2,0,1]=4 979 B6R0.1 C[C@H](CO)CCO MCULE-6036462418 [0,1,0,0,0,0|2,0,1]=4 980 B6R0.1 N#CC/C(=N\O)/N MCULE-7517473784 [0,1,0,0,0,0|1,0,2]=4 981 B6R0.1 N#CCC(=O)NN MCULE-9203133961 [0,1,0,0,0,0|1,0,2]=4 982 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,1,0,0,0,0|2,0,0]=3 983 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [0,1,0,0,0,0|2,0,0]=3 984 B6R0.1 NC(CO)CCF MCULE-3691993352 [0,1,0,0,0,0|2,0,1]=4 985 B6R0.1 NC(CO)CCO MCULE-3703088648 [0,1,0,0,0,0|2,0,1]=4 986 B6R0.1 NC(CO)CCO MCULE-7609576462 [0,1,0,0,0,0|2,0,1]=4 987 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [0,1,0,0,0,0|1,0,0]=2 988 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,1,0,0,0,0|1,0,0]=2 989 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,1,0,0,0,0|1,0,0]=2 990 B6R0.1 NCCC(F)CN MCULE-9478589176 [0,1,0,0,0,0|2,0,1]=4 991 B6R0.1 NCCC(O)CN MCULE-9177974477 [0,1,0,0,0,0|1,0,1]=3 992 B6R0.1 NCCC(O)CO MCULE-2556586168 [0,1,0,0,0,0|0,0,2]=3 993 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,1,0,0,0,0|2,0,0]=3 994 B6R0.1 NNC(=O)CCS MCULE-9322963076 [0,1,0,0,0,0|2,0,0]=3 995 B6R0.1 N[C@@H](CO)CCO MCULE-4583236919 [0,1,0,0,0,0|2,0,1]=4 996 B6R0.1 N[C@@H](CO)CCO MCULE-5489716742 [0,1,0,0,0,0|2,0,1]=4 997 B6R0.1 N[C@H](CO)CCO MCULE-5338659573 [0,1,0,0,0,0|2,0,1]=4 998 B6R0.1 N[C@H](CO)CCO MCULE-8998003003 [0,1,0,0,0,0|2,0,1]=4 999 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,1,0,0,0,0|1,0,0]=2 1000 B6R0.1 O=C(CCl)CCCl MCULE-6460902474 [0,1,0,0,0,0|2,0,0]=3 1001 B6R0.1 O=C(CCl)NCO MCULE-9960585064 [0,1,0,0,0,0|3,0,0]=4 1002 B6R0.1 OC(CBr)CCBr MCULE-5156583342 [0,1,0,0,0,0|2,0,1]=4 1003 B6R0.1 OC(CCl)CCCl MCULE-5495327725 [0,1,0,0,0,0|2,0,1]=4 1004 B6R0.1 OCCC(O)CCl MCULE-4752952606 [0,1,0,0,0,0|2,0,1]=4 1005 B6R0.1 OCCC(O)CO MCULE-6470178852 [0,1,0,0,0,0|1,0,2]=4 1006 B6R0.1 OCC[C@@H](Br)CO MCULE-4859199629 [0,1,0,0,0,0|2,0,1]=4 1007 B6R0.1 OCC[C@@H](O)CO MCULE-2312093276 [0,1,0,0,0,0|1,0,2]=4 1008 B6R0.1 OCC[C@@H](O)CO MCULE-4636748782 [0,1,0,0,0,0|1,0,2]=4 1009 B6R0.1 OCC[C@H](O)CBr MCULE-1990035925 [0,1,0,0,0,0|2,0,1]=4 1010 B6R0.1 OCC[C@H](O)CCl MCULE-4561806159 [0,1,0,0,0,0|2,0,1]=4 1011 B6R0.1 OCC[C@H](O)CCl MCULE-8582759529 [0,1,0,0,0,0|2,0,1]=4 1012 B6R0.1 OCC[C@H](O)CO MCULE-2265914374 [0,1,0,0,0,0|1,0,2]=4 1013 B6R0.1 OCC[C@H](O)CO MCULE-5459838421 [0,1,0,0,0,0|1,0,2]=4 1014 B6R0.1 O[C@@H](CBr)CCBr MCULE-2137750043 [0,1,0,0,0,0|2,0,1]=4 1015 B6R0.1 O[C@H](CBr)CCBr MCULE-2647046297 [0,1,0,0,0,0|2,0,1]=4 1016 B6R0.1 O[C@H](CBr)CCBr MCULE-5662911918 [0,1,0,0,0,0|2,0,1]=4 1017 B6R0.2 C=C(C)CC(=O)C MCULE-3534735279 [0,1,0,0,0,0|2,0,1]=4 1018 B6R0.2 C=C(C)CC(=O)O MCULE-5404023928 [0,1,0,0,0,0|1,0,1]=3 1019 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,1,0,0,0,0|3,0,0]=4 1020 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,1,0,0,0,0|3,0,0]=4 1021 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,1,0,0,0,0|3,0,0]=4 1022 B6R0.2 C=C(I)CC(=O)O MCULE-3849925169 [0,1,0,0,0,0|1,0,1]=3 1023 B6R0.2 CC(=CC(=O)O)C MCULE-4772426340 [0,1,0,0,0,0|1,0,2]=4 1024 B6R0.2 CC(=CC(=O)O)Cl MCULE-7503760292 [0,1,0,0,0,0|1,0,2]=4 1025 B6R0.2 CC(=CC(=O)O)I MCULE-2652373771 [0,1,0,0,0,0|1,0,2]=4 1026 B6R0.2 CC(=CC(=O)O)N MCULE-5894724848 [0,1,0,0,0,0|0,0,2]=3 1027 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,1,0,0,0,0|1,0,2]=4 1028 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,1,0,0,0,0|1,0,2]=4 1029 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,1,0,0,0,0|1,0,2]=4 1030 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,1,0,0,0,0|1,0,2]=4 1031 B6R0.2 CC(=O)CC(=O)C MCULE-6481204381 [0,1,0,0,0,0|2,0,1]=4 1032 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,1,0,0,0,0|1,0,1]=3 1033 B6R0.2 CC(=O)CC(=O)O MCULE-2601276539 [0,1,0,0,0,0|1,0,1]=3 1034 B6R0.2 CC(=O)CC(=O)[O-] MCULE-6317885864 [0,1,0,0,0,0|1,0,2]=4 1035 B6R0.2 CC(=O)CC(=O)[O-] MCULE-8448177875 [0,1,0,0,0,0|1,0,2]=4 1036 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,1,0,0,0,0|2,0,0]=3 1037 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,1,0,0,0,0|1,0,0]=2 1038 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,1,0,0,0,0|1,0,0]=2 1039 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,1,0,0,0,0|2,0,0]=3 1040 B6R0.2 CC(=O)CN(=O)=O MCULE-3153232896 [0,1,0,0,0,0|3,0,0]=4 1041 B6R0.2 CC(=O)CN(C)C MCULE-8561521241 [0,1,0,0,0,0|3,0,0]=4 1042 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,1,0,0,0,0|1,0,0]=2 1043 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,1,0,0,0,0|1,0,0]=2 1044 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,1,0,0,0,0|2,0,1]=4 1045 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,1,0,0,0,0|2,0,1]=4 1046 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,1,0,0,0,0|2,0,1]=4 1047 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,1,0,0,0,0|3,0,0]=4 1048 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,1,0,0,0,0|3,0,0]=4 1049 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,1,0,0,0,0|3,0,0]=4 1050 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,1,0,0,0,0|3,0,0]=4 1051 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,1,0,0,0,0|1,0,0]=2 1052 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,1,0,0,0,0|2,1,0]=4 1053 B6R0.2 CC(C)CB(O)O MCULE-9748327681 [0,1,0,0,0,0|2,0,1]=4 1054 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,1,0,0,0,0|3,0,0]=4 1055 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,1,0,0,0,0|3,0,0]=4 1056 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,1,0,0,0,0|3,0,0]=4 1057 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,1,0,0,0,0|2,0,0]=3 1058 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,1,0,0,0,0|2,0,0]=3 1059 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,1,0,0,0,0|1,0,0]=2 1060 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,1,0,0,0,0|2,1,0]=4 1061 B6R0.2 CC(C)CC(C)N MCULE-1144229692 [0,1,0,0,0,0|2,0,1]=4 1062 B6R0.2 CC(C)CC(C)N MCULE-5992377656 [0,1,0,0,0,0|2,0,1]=4 1063 B6R0.2 CC(C)CC(C)O MCULE-9223768698 [0,1,0,0,0,0|2,0,1]=4 1064 B6R0.2 CC(C)CN(=O)=O MCULE-1357840093 [0,1,0,0,0,0|2,0,1]=4 1065 B6R0.2 CC(C)CS(=O)[O-] MCULE-3716652382 [0,1,0,0,0,0|2,0,1]=4 1066 B6R0.2 CC(C)CS(=O)[O-] MCULE-7111094918 [0,1,0,0,0,0|2,0,1]=4 1067 B6R0.2 CC(C)C[C@@H](C)N MCULE-5902933285 [0,1,0,0,0,0|2,0,1]=4 1068 B6R0.2 CC(C)C[C@@H](C)N MCULE-7208228535 [0,1,0,0,0,0|2,0,1]=4 1069 B6R0.2 CC(C)C[C@@H](C)O MCULE-3150675602 [0,1,0,0,0,0|2,0,1]=4 1070 B6R0.2 CC(C)C[C@@H](C)O MCULE-4011042896 [0,1,0,0,0,0|2,0,1]=4 1071 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,1,0,0,0,0|3,0,0]=4 1072 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,1,0,0,0,0|3,0,0]=4 1073 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,1,0,0,0,0|3,0,0]=4 1074 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,1,0,0,0,0|3,0,0]=4 1075 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,1,0,0,0,0|2,0,0]=3 1076 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,1,0,0,0,0|1,0,0]=2 1077 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,1,0,0,0,0|3,0,0]=4 1078 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,1,0,0,0,0|1,0,0]=2 1079 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,1,0,0,0,0|1,0,0]=2 1080 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,1,0,0,0,0|1,0,0]=2 1081 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,1,0,0,0,0|0,0,0]=1 1082 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,1,0,0,0,0|0,0,0]=1 1083 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,1,0,0,0,0|0,0,0]=1 1084 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,1,0,0,0,0|0,0,0]=1 1085 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,1,0,0,0,0|1,0,1]=3 1086 B6R0.2 CC(N)CC(F)F MCULE-9211292557 [0,1,0,0,0,0|2,0,1]=4 1087 B6R0.2 CC(N)CC(F)F MCULE-9693935594 [0,1,0,0,0,0|2,0,1]=4 1088 B6R0.2 CC(N)CN(C)C MCULE-4834268309 [0,1,0,0,0,0|3,0,0]=4 1089 B6R0.2 CC(N)CN(C)C MCULE-9601630435 [0,1,0,0,0,0|3,0,0]=4 1090 B6R0.2 CC(N)CS(=O)C MCULE-1278482312 [0,1,0,0,0,0|2,0,0]=3 1091 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,1,0,0,0,0|2,0,0]=3 1092 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,1,0,0,0,0|1,0,0]=2 1093 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,1,0,0,0,0|1,0,0]=2 1094 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,1,0,0,0,0|1,0,1]=3 1095 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,1,0,0,0,0|1,0,1]=3 1096 B6R0.2 CC(O)CC(C)O MCULE-1652556328 [0,1,0,0,0,0|2,0,1]=4 1097 B6R0.2 CC(O)CN(=O)=O MCULE-1592317283 [0,1,0,0,0,0|2,0,1]=4 1098 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,1,0,0,0,0|2,0,1]=4 1099 B6R0.2 CC(O)CS(=O)C MCULE-2365161952 [0,1,0,0,0,0|3,0,0]=4 1100 B6R0.2 CN(C)CC(=O)Cl MCULE-2168217529 [0,1,0,0,0,0|3,0,0]=4 1101 B6R0.2 CN(C)CC(=O)Cl MCULE-6810056185 [0,1,0,0,0,0|3,0,0]=4 1102 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,1,0,0,0,0|3,0,0]=4 1103 B6R0.2 CN(C)CC(=O)O MCULE-2303978039 [0,1,0,0,0,0|2,0,0]=3 1104 B6R0.2 CN(C)CC(=O)O MCULE-3368936600 [0,1,0,0,0,0|2,0,0]=3 1105 B6R0.2 CN(C)CC(=O)[O-] MCULE-3077067854 [0,1,0,0,0,0|2,0,1]=4 1106 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,1,0,0,0,0|0,0,0]=1 1107 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,1,0,0,0,0|0,0,0]=1 1108 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,1,0,0,0,0|0,0,0]=1 1109 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,1,0,0,0,0|0,0,0]=1 1110 B6R0.2 C[C@@H](N)CN(C)C MCULE-2034828409 [0,1,0,0,0,0|3,0,0]=4 1111 B6R0.2 C[C@@H](N)CN(C)C MCULE-2147556460 [0,1,0,0,0,0|3,0,0]=4 1112 B6R0.2 C[C@@H](N)CN(C)C MCULE-6097836560 [0,1,0,0,0,0|3,0,0]=4 1113 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,1,0,0,0,0|1,0,0]=2 1114 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,1,0,0,0,0|1,0,0]=2 1115 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,1,0,0,0,0|1,0,1]=3 1116 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,1,0,0,0,0|1,0,1]=3 1117 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-3504626196 [0,1,0,0,0,0|2,0,1]=4 1118 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-4671148975 [0,1,0,0,0,0|2,0,1]=4 1119 B6R0.2 C[C@@H](O)C[C@@H](C)O MCULE-8345849773 [0,1,0,0,0,0|2,0,1]=4 1120 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,1,0,0,0,0|1,0,0]=2 1121 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,1,0,0,0,0|1,0,0]=2 1122 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,1,0,0,0,0|0,0,0]=1 1123 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,1,0,0,0,0|0,0,0]=1 1124 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,1,0,0,0,0|0,0,0]=1 1125 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,1,0,0,0,0|0,0,0]=1 1126 B6R0.2 C[C@H](N)CN(C)C MCULE-2526118342 [0,1,0,0,0,0|3,0,0]=4 1127 B6R0.2 C[C@H](N)CN(C)C MCULE-3902055308 [0,1,0,0,0,0|3,0,0]=4 1128 B6R0.2 C[C@H](N)CN(C)C MCULE-4292583182 [0,1,0,0,0,0|3,0,0]=4 1129 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,1,0,0,0,0|1,0,0]=2 1130 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,1,0,0,0,0|1,0,0]=2 1131 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,1,0,0,0,0|1,0,1]=3 1132 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,1,0,0,0,0|1,0,1]=3 1133 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-1267135444 [0,1,0,0,0,0|2,0,1]=4 1134 B6R0.2 C[C@H](O)C[C@H](C)O MCULE-5878966333 [0,1,0,0,0,0|2,0,1]=4 1135 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-1975585935 [0,1,0,0,0,0|2,0,1]=4 1136 B6R0.2 C[S+](C)CC(=O)[O-] MCULE-7679949306 [0,1,0,0,0,0|2,0,1]=4 1137 B6R0.2 N=C(N)CC(=N)N MCULE-4863741442 [0,1,0,0,0,0|2,0,1]=4 1138 B6R0.2 N=C(N)CC(=N)N MCULE-8523596922 [0,1,0,0,0,0|2,0,1]=4 1139 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,1,0,0,0,0|1,0,1]=3 1140 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,1,0,0,0,0|2,0,1]=4 1141 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,1,0,0,0,0|2,0,1]=4 1142 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,1,0,0,0,0|2,0,1]=4 1143 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,1,0,0,0,0|2,0,1]=4 1144 B6R0.2 N=C([NH3+])CC(=O)N MCULE-7769639649 [0,1,0,0,0,0|1,0,2]=4 1145 B6R0.2 NC(=O)CC(=O)N MCULE-7675159766 [0,1,0,0,0,0|1,0,1]=3 1146 B6R0.2 NC(=O)CC(=O)O MCULE-1168254626 [0,1,0,0,0,0|0,0,1]=2 1147 B6R0.2 NC(=O)CC(=S)N MCULE-9383188328 [0,1,0,0,0,0|1,0,1]=3 1148 B6R0.2 NC(=O)CN(=O)=O MCULE-2051107739 [0,1,0,0,0,0|1,0,2]=4 1149 B6R0.2 NC(=O)CN(=O)=O MCULE-6284821429 [0,1,0,0,0,0|1,0,2]=4 1150 B6R0.2 NC(=O)NC(=O)N MCULE-4571627886 [0,1,0,0,0,0|2,0,1]=4 1151 B6R0.2 NC(=S)CC(=S)N MCULE-2555051271 [0,1,0,0,0,0|1,1,1]=4 1152 B6R0.2 NC(F)CC(=O)O MCULE-1563194776 [0,1,0,0,0,0|0,0,0]=1 1153 B6R0.2 NC(F)CC(=O)O MCULE-1655564430 [0,1,0,0,0,0|0,0,0]=1 1154 B6R0.2 O=C(Cl)CC(=O)Cl MCULE-8779098368 [0,1,0,0,0,0|2,0,1]=4 1155 B6R0.2 O=C(O)C=C(Br)Br MCULE-4379078717 [0,1,0,0,0,0|1,0,2]=4 1156 B6R0.2 O=C(O)C=C(Cl)Cl MCULE-5096440659 [0,1,0,0,0,0|1,0,2]=4 1157 B6R0.2 O=C(O)CB(O)O MCULE-6408403753 [0,1,0,0,0,0|2,0,0]=3 1158 B6R0.2 O=C(O)CC(=O)O MCULE-5893043131 [0,1,0,0,0,0|1,0,1]=3 1159 B6R0.2 O=C(O)CC(F)F MCULE-9388620099 [0,1,0,0,0,0|1,0,0]=2 1160 B6R0.2 O=C(O)CN(=O)=O MCULE-4962751453 [0,1,0,0,0,0|2,0,0]=3 1161 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-2327820884 [0,1,0,0,0,0|1,0,2]=4 1162 B6R0.2 O=C([O-])CC(=O)[O-] MCULE-6849635529 [0,1,0,0,0,0|1,0,2]=4 1163 B6R0.2 O=C([O-])CN(=O)=O MCULE-4674762686 [0,1,0,0,0,0|2,0,1]=4 1164 B6R0.3 C#CC(O)C(=O)O MCULE-4214673632 [0,1,0,0,0,0|1,0,1]=3 1165 B6R0.3 C(C)(OC)C(=O)O MCULE-4852209230 [0,1,0,0,0,0|2,0,0]=3 1166 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,0,0,0,0|2,0,0]=3 1167 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,0,0,0,0|2,0,0]=3 1168 B6R0.3 C/C=C(/C)\C(=O)O MCULE-2116066534 [0,1,0,0,0,0|1,0,2]=4 1169 B6R0.3 C/C=C(\Br)/C(=O)O MCULE-5940308548 [0,1,0,0,0,0|1,0,2]=4 1170 B6R0.3 C/C=C(\C)/C(=O)O MCULE-4890719796 [0,1,0,0,0,0|1,0,2]=4 1171 B6R0.3 C/C=C(\O)/C(=O)O MCULE-9596699660 [0,1,0,0,0,0|1,0,2]=4 1172 B6R0.3 C=C(C#N)C(=O)O MCULE-1746285232 [0,1,0,0,0,0|0,0,3]=4 1173 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,1,0,0,0,0|3,0,0]=4 1174 B6R0.3 C=C(CBr)C(=O)O MCULE-7257367588 [0,1,0,0,0,0|1,0,1]=3 1175 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,0,0,0,0|1,0,1]=3 1176 B6R0.3 C=C(CO)C(=O)O MCULE-9731648602 [0,1,0,0,0,0|1,0,1]=3 1177 B6R0.3 C=C(I)C(C)CI MCULE-8558127481 [0,1,0,0,0,0|3,0,0]=4 1178 B6R0.3 C=C(I)[C@H](C)CI MCULE-1089285398 [0,1,0,0,0,0|3,0,0]=4 1179 B6R0.3 C=C(I)[C@H](C)CI MCULE-5444456468 [0,1,0,0,0,0|3,0,0]=4 1180 B6R0.3 C=C(OC)C(=O)O MCULE-9965334560 [0,1,0,0,0,0|2,0,1]=4 1181 B6R0.3 C=CC(=O)C(=O)O MCULE-9816982424 [0,1,0,0,0,0|1,0,2]=4 1182 B6R0.3 C=CC(C)C(=O)O MCULE-7280145889 [0,1,0,0,0,0|1,0,1]=3 1183 B6R0.3 C=CC(N)C(=O)O MCULE-2000511750 [0,1,0,0,0,0|1,0,1]=3 1184 B6R0.3 C=CC(N)C(=O)O MCULE-7504415267 [0,1,0,0,0,0|1,0,1]=3 1185 B6R0.3 C=CC(N)C(=O)O MCULE-9012490000 [0,1,0,0,0,0|1,0,1]=3 1186 B6R0.3 C=CC(N)C(=O)O MCULE-9978294266 [0,1,0,0,0,0|1,0,1]=3 1187 B6R0.3 C=CC(O)C(=O)O MCULE-3847595710 [0,1,0,0,0,0|1,0,1]=3 1188 B6R0.3 C=C[C@@H](C)C(=O)O MCULE-9719548038 [0,1,0,0,0,0|1,0,1]=3 1189 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-3678761806 [0,1,0,0,0,0|1,0,1]=3 1190 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6682447306 [0,1,0,0,0,0|1,0,1]=3 1191 B6R0.3 C=C[C@@H](N)C(=O)O MCULE-6779191781 [0,1,0,0,0,0|1,0,1]=3 1192 B6R0.3 C=C[C@H](C)C(=O)O MCULE-1694697840 [0,1,0,0,0,0|1,0,1]=3 1193 B6R0.3 C=C[C@H](C)C(=O)O MCULE-2601438258 [0,1,0,0,0,0|1,0,1]=3 1194 B6R0.3 C=C[C@H](C)C(=O)O MCULE-6098133430 [0,1,0,0,0,0|1,0,1]=3 1195 B6R0.3 C=C[C@H](N)C(=O)O MCULE-2657488498 [0,1,0,0,0,0|1,0,1]=3 1196 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5103456570 [0,1,0,0,0,0|1,0,1]=3 1197 B6R0.3 C=C[C@H](N)C(=O)O MCULE-5936124947 [0,1,0,0,0,0|1,0,1]=3 1198 B6R0.3 C=C[C@H](N)C(=O)O MCULE-9631686254 [0,1,0,0,0,0|1,0,1]=3 1199 B6R0.3 CC(=C(Br)CN)C MCULE-2433306744 [0,1,0,0,0,0|2,0,1]=4 1200 B6R0.3 CC(=C(F)CN)C MCULE-8503104664 [0,1,0,0,0,0|2,0,1]=4 1201 B6R0.3 CC(=C(F)CN)C MCULE-8932417146 [0,1,0,0,0,0|2,0,1]=4 1202 B6R0.3 CC(=CBr)C(=O)O MCULE-3682516046 [0,1,0,0,0,0|1,0,2]=4 1203 B6R0.3 CC(=NO)C(=O)O MCULE-8264934008 [0,1,0,0,0,0|2,0,1]=4 1204 B6R0.3 CC(=O)C(=O)CBr MCULE-8560925164 [0,1,0,0,0,0|2,0,1]=4 1205 B6R0.3 CC(=O)C(=O)CCl MCULE-2778551811 [0,1,0,0,0,0|2,0,1]=4 1206 B6R0.3 CC(=O)C(Br)C=O MCULE-6904531970 [0,1,0,0,0,0|2,0,1]=4 1207 B6R0.3 CC(=O)C(C)C#N MCULE-3849364002 [0,1,0,0,0,0|1,0,2]=4 1208 B6R0.3 CC(=O)C(C)C=O MCULE-7133682970 [0,1,0,0,0,0|2,0,1]=4 1209 B6R0.3 CC(=O)C(C)CO MCULE-9026658672 [0,1,0,0,0,0|2,0,0]=3 1210 B6R0.3 CC(=O)C(Cl)C#N MCULE-7984925847 [0,1,0,0,0,0|1,0,2]=4 1211 B6R0.3 CC(=O)C(N)CO MCULE-4063057020 [0,1,0,0,0,0|2,0,0]=3 1212 B6R0.3 CC(=O)[C@@H](N)CO MCULE-9046372356 [0,1,0,0,0,0|2,0,0]=3 1213 B6R0.3 CC(C#N)C(=O)N MCULE-2138676966 [0,1,0,0,0,0|1,0,2]=4 1214 B6R0.3 CC(C#N)C(=O)O MCULE-3302580561 [0,1,0,0,0,0|0,0,2]=3 1215 B6R0.3 CC(C)C(C)CN MCULE-1011041652 [0,1,0,0,0,0|2,0,1]=4 1216 B6R0.3 CC(C)C(C)CN MCULE-5682817467 [0,1,0,0,0,0|2,0,1]=4 1217 B6R0.3 CC(C)C(N)CN MCULE-3414430422 [0,1,0,0,0,0|2,0,1]=4 1218 B6R0.3 CC(C)C(N)CN MCULE-5279153780 [0,1,0,0,0,0|2,0,1]=4 1219 B6R0.3 CC(C)C(O)CN MCULE-3560246402 [0,1,0,0,0,0|2,0,1]=4 1220 B6R0.3 CC(C)C(O)CN MCULE-9420842607 [0,1,0,0,0,0|2,0,1]=4 1221 B6R0.3 CC(C)[C@H](N)CN MCULE-2884084983 [0,1,0,0,0,0|2,0,1]=4 1222 B6R0.3 CC(CBr)C(=O)O MCULE-1430003780 [0,1,0,0,0,0|1,0,0]=2 1223 B6R0.3 CC(CF)C(=O)O MCULE-7390028409 [0,1,0,0,0,0|1,0,0]=2 1224 B6R0.3 CC(CN)C(=O)O MCULE-5485986433 [0,1,0,0,0,0|0,0,0]=1 1225 B6R0.3 CC(CN)C(=O)O MCULE-5638884438 [0,1,0,0,0,0|0,0,0]=1 1226 B6R0.3 CC(CN)C(F)F MCULE-3764511329 [0,1,0,0,0,0|2,0,1]=4 1227 B6R0.3 CC(CN)C(F)F MCULE-3885392808 [0,1,0,0,0,0|2,0,1]=4 1228 B6R0.3 CC(CN)N(C)C MCULE-1383449400 [0,1,0,0,0,0|3,0,0]=4 1229 B6R0.3 CC(CN)N(C)C MCULE-9891789912 [0,1,0,0,0,0|3,0,0]=4 1230 B6R0.3 CC(CN)S(=O)C MCULE-9048112625 [0,1,0,0,0,0|2,0,0]=3 1231 B6R0.3 CC(CO)C(=O)O MCULE-2772009804 [0,1,0,0,0,0|1,0,0]=2 1232 B6R0.3 CC(CO)C(=O)[O-] MCULE-6956620176 [0,1,0,0,0,0|1,0,1]=3 1233 B6R0.3 CC(CO)N(=O)=O MCULE-5856696728 [0,1,0,0,0,0|2,0,1]=4 1234 B6R0.3 CC(CS)C(=O)O MCULE-9982386135 [0,1,0,0,0,0|1,0,0]=2 1235 B6R0.3 CC(O)C(C)CN MCULE-5251700993 [0,1,0,0,0,0|1,0,1]=3 1236 B6R0.3 CC(O)C(C)CO MCULE-4061946423 [0,1,0,0,0,0|2,0,1]=4 1237 B6R0.3 CC(O)C(N)CN MCULE-2787573482 [0,1,0,0,0,0|1,0,1]=3 1238 B6R0.3 CC(O)C(N)CN MCULE-5330950433 [0,1,0,0,0,0|1,0,1]=3 1239 B6R0.3 CC(O)C(N)CO MCULE-7733336449 [0,1,0,0,0,0|2,0,1]=4 1240 B6R0.3 CC(O)C(O)CN MCULE-6591390331 [0,1,0,0,0,0|1,0,1]=3 1241 B6R0.3 CC(O)C(O)CO MCULE-1795053551 [0,1,0,0,0,0|2,0,1]=4 1242 B6R0.3 CC(ON)C(=O)O MCULE-1969235976 [0,1,0,0,0,0|1,0,0]=2 1243 B6R0.3 CC(ON)C(=O)O MCULE-4318537884 [0,1,0,0,0,0|1,0,0]=2 1244 B6R0.3 CC(ON)C(=O)O MCULE-4455753863 [0,1,0,0,0,0|1,0,0]=2 1245 B6R0.3 CC(ON)C(=O)O MCULE-8893009712 [0,1,0,0,0,0|1,0,0]=2 1246 B6R0.3 CC=C(Br)C(=O)O MCULE-5368794596 [0,1,0,0,0,0|1,0,2]=4 1247 B6R0.3 CC=C(C)C(=O)O MCULE-2390677360 [0,1,0,0,0,0|1,0,2]=4 1248 B6R0.3 CC=C(Cl)C(=O)O MCULE-5827690088 [0,1,0,0,0,0|1,0,2]=4 1249 B6R0.3 CC=C(F)C(=O)O MCULE-5053310707 [0,1,0,0,0,0|1,0,2]=4 1250 B6R0.3 CC=C(O)C(=O)O MCULE-7886990963 [0,1,0,0,0,0|1,0,2]=4 1251 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,1,0,0,0,0|2,0,1]=4 1252 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,0,0,0,0|1,0,1]=3 1253 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,1,0,0,0,0|1,0,2]=4 1254 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,1,0,0,0,0|2,0,0]=3 1255 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,1,0,0,0,0|2,0,0]=3 1256 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,1,0,0,0,0|2,0,0]=3 1257 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,1,0,0,0,0|2,0,0]=3 1258 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|1,0,0]=2 1259 B6R0.3 CCC(C)B(O)O MCULE-7544159454 [0,1,0,0,0,0|2,0,1]=4 1260 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,1,0,0,0,0|3,0,0]=4 1261 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,1,0,0,0,0|3,0,0]=4 1262 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,1,0,0,0,0|2,0,0]=3 1263 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,1,0,0,0,0|2,0,0]=3 1264 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,1,0,0,0,0|2,0,0]=3 1265 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|1,0,0]=2 1266 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|1,0,0]=2 1267 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,1,0,0,0,0|2,1,0]=4 1268 B6R0.3 CCC(C)C(C)O MCULE-8290655999 [0,1,0,0,0,0|2,0,1]=4 1269 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,1,0,0,0,0|2,0,0]=3 1270 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,1,0,0,0,0|2,0,0]=3 1271 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|1,0,0]=2 1272 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|1,0,0]=2 1273 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,0,0,0,0|2,0,0]=3 1274 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,0,0,0,0|2,0,0]=3 1275 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,0,0,0,0|2,0,0]=3 1276 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,0,0,0,0|2,0,0]=3 1277 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|1,0,0]=2 1278 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|1,0,0]=2 1279 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|1,0,0]=2 1280 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|1,0,0]=2 1281 B6R0.3 CCC(N)C(C)O MCULE-2752432664 [0,1,0,0,0,0|2,0,1]=4 1282 B6R0.3 CCC(N)C(C)O MCULE-6087590428 [0,1,0,0,0,0|2,0,1]=4 1283 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|2,0,0]=3 1284 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|1,0,0]=2 1285 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|1,0,0]=2 1286 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,0,0,0,0|1,0,1]=3 1287 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,0,0,0,0|1,0,1]=3 1288 B6R0.3 CCC(O)C(C)O MCULE-1468922095 [0,1,0,0,0,0|2,0,1]=4 1289 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,1,0,0,0,0|2,0,0]=3 1290 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|1,0,0]=2 1291 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,1,0,0,0,0|3,0,0]=4 1292 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,1,0,0,0,0|3,0,0]=4 1293 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,1,0,0,0,0|3,0,0]=4 1294 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,1,0,0,0,0|3,0,0]=4 1295 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|1,0,0]=2 1296 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|1,0,0]=2 1297 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,1,0,0,0,0|2,0,0]=3 1298 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,1,0,0,0,0|2,0,0]=3 1299 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|1,0,0]=2 1300 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|1,0,0]=2 1301 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|1,0,0]=2 1302 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|1,0,0]=2 1303 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,0,0,0,0|2,0,0]=3 1304 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,0,0,0,0|2,0,0]=3 1305 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,0,0,0,0|2,0,0]=3 1306 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,0,0,0,0|2,0,0]=3 1307 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|1,0,0]=2 1308 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|1,0,0]=2 1309 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|1,0,0]=2 1310 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|1,0,0]=2 1311 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-8294520512 [0,1,0,0,0,0|2,0,1]=4 1312 B6R0.3 CC[C@@H](N)[C@H](C)O MCULE-9521001934 [0,1,0,0,0,0|2,0,1]=4 1313 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|1,0,0]=2 1314 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|1,0,0]=2 1315 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|1,0,0]=2 1316 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|1,0,0]=2 1317 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|1,0,0]=2 1318 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|1,0,0]=2 1319 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|1,0,0]=2 1320 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,0,0,0,0|2,0,0]=3 1321 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,0,0,0,0|2,0,0]=3 1322 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,0,0,0,0|2,0,0]=3 1323 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,0,0,0,0|2,0,0]=3 1324 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|1,0,0]=2 1325 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|1,0,0]=2 1326 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|1,0,0]=2 1327 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|1,0,0]=2 1328 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,0,0,0,0|1,1,0]=3 1329 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,0,0,0,0|1,1,0]=3 1330 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-1930738992 [0,1,0,0,0,0|2,0,1]=4 1331 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-4226147180 [0,1,0,0,0,0|2,0,1]=4 1332 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-7445496718 [0,1,0,0,0,0|2,0,1]=4 1333 B6R0.3 CC[C@H](N)[C@@H](C)O MCULE-9770959398 [0,1,0,0,0,0|2,0,1]=4 1334 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-3878355824 [0,1,0,0,0,0|2,0,1]=4 1335 B6R0.3 CC[C@H](N)[C@H](C)O MCULE-4791160457 [0,1,0,0,0,0|2,0,1]=4 1336 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|1,0,0]=2 1337 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|1,0,0]=2 1338 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,0,0,0,0|1,0,1]=3 1339 B6R0.3 CN(O)C(=O)CN MCULE-6904940710 [0,1,0,0,0,0|2,0,1]=4 1340 B6R0.3 CN(O)C(=O)CN MCULE-7352809793 [0,1,0,0,0,0|2,0,1]=4 1341 B6R0.3 CNC(=O)C(=O)O MCULE-5436132271 [0,1,0,0,0,0|2,0,1]=4 1342 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,1,0,0,0,0|3,0,0]=4 1343 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,1,0,0,0,0|3,0,0]=4 1344 B6R0.3 CNC(C)C(=O)O MCULE-4088114502 [0,1,0,0,0,0|2,0,0]=3 1345 B6R0.3 CNC(C)C(=O)O MCULE-7300169560 [0,1,0,0,0,0|2,0,0]=3 1346 B6R0.3 CNC(C)C(=O)O MCULE-8623956615 [0,1,0,0,0,0|2,0,0]=3 1347 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,1,0,0,0,0|3,0,0]=4 1348 B6R0.3 CN[C@@H](C)C(=O)O MCULE-2079366664 [0,1,0,0,0,0|2,0,0]=3 1349 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4072364377 [0,1,0,0,0,0|2,0,0]=3 1350 B6R0.3 CN[C@@H](C)C(=O)O MCULE-4518259073 [0,1,0,0,0,0|2,0,0]=3 1351 B6R0.3 CN[C@@H](C)C(=O)O MCULE-8200069325 [0,1,0,0,0,0|2,0,0]=3 1352 B6R0.3 CN[C@H](C)C(=O)O MCULE-2777429698 [0,1,0,0,0,0|2,0,0]=3 1353 B6R0.3 CN[C@H](C)C(=O)O MCULE-7282734154 [0,1,0,0,0,0|2,0,0]=3 1354 B6R0.3 CN[C@H](C)C(=O)O MCULE-9709122579 [0,1,0,0,0,0|2,0,0]=3 1355 B6R0.3 COC(=O)C(=O)O MCULE-8527842270 [0,1,0,0,0,0|2,0,1]=4 1356 B6R0.3 COC(Br)C(=O)C MCULE-1220922171 [0,1,0,0,0,0|3,0,0]=4 1357 B6R0.3 COC(Br)C(=O)O MCULE-9018983840 [0,1,0,0,0,0|2,0,0]=3 1358 B6R0.3 COC(C)C(=O)C MCULE-8058502137 [0,1,0,0,0,0|3,0,0]=4 1359 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,1,0,0,0,0|3,0,0]=4 1360 B6R0.3 COC(C)C(=O)O MCULE-8913745653 [0,1,0,0,0,0|2,0,0]=3 1361 B6R0.3 CO[C@@H](C)C(=O)Cl MCULE-9335923061 [0,1,0,0,0,0|3,0,0]=4 1362 B6R0.3 CO[C@@H](C)C(=O)O MCULE-7456458246 [0,1,0,0,0,0|2,0,0]=3 1363 B6R0.3 CO[C@@H](C)C(=O)O MCULE-8108977564 [0,1,0,0,0,0|2,0,0]=3 1364 B6R0.3 CO[C@H](C)C(=O)O MCULE-3078851913 [0,1,0,0,0,0|2,0,0]=3 1365 B6R0.3 CO[C@H](C)C(=O)O MCULE-5370950850 [0,1,0,0,0,0|2,0,0]=3 1366 B6R0.3 CSC(C)C(=O)C MCULE-8567808254 [0,1,0,0,0,0|3,0,0]=4 1367 B6R0.3 CSC(C)C(=O)O MCULE-8062487948 [0,1,0,0,0,0|2,0,0]=3 1368 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4438181090 [0,1,0,0,0,0|0,0,0]=1 1369 B6R0.3 C[C@@H](CN)C(=O)O MCULE-4599481344 [0,1,0,0,0,0|0,0,0]=1 1370 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5826933618 [0,1,0,0,0,0|0,0,0]=1 1371 B6R0.3 C[C@@H](CN)C(=O)O MCULE-5914856504 [0,1,0,0,0,0|0,0,0]=1 1372 B6R0.3 C[C@@H](CO)C(=O)O MCULE-1381224499 [0,1,0,0,0,0|1,0,0]=2 1373 B6R0.3 C[C@@H](CO)C(=O)O MCULE-4599417419 [0,1,0,0,0,0|1,0,0]=2 1374 B6R0.3 C[C@@H](F)[C@@H](F)CN MCULE-9285557840 [0,1,0,0,0,0|2,0,1]=4 1375 B6R0.3 C[C@@H](F)[C@H](F)CN MCULE-9353092073 [0,1,0,0,0,0|2,0,1]=4 1376 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-1499224916 [0,1,0,0,0,0|2,0,1]=4 1377 B6R0.3 C[C@@H](O)[C@@H](N)CO MCULE-3539522955 [0,1,0,0,0,0|2,0,1]=4 1378 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-1381786707 [0,1,0,0,0,0|2,0,1]=4 1379 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-3627537672 [0,1,0,0,0,0|2,0,1]=4 1380 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-5429038645 [0,1,0,0,0,0|2,0,1]=4 1381 B6R0.3 C[C@@H](O)[C@H](N)CO MCULE-6146168744 [0,1,0,0,0,0|2,0,1]=4 1382 B6R0.3 C[C@@H](ON)C(=O)O MCULE-1538722507 [0,1,0,0,0,0|1,0,0]=2 1383 B6R0.3 C[C@@H](ON)C(=O)O MCULE-3835402446 [0,1,0,0,0,0|1,0,0]=2 1384 B6R0.3 C[C@H](CN)C(=O)O MCULE-3703540023 [0,1,0,0,0,0|0,0,0]=1 1385 B6R0.3 C[C@H](CN)C(=O)O MCULE-5714771083 [0,1,0,0,0,0|0,0,0]=1 1386 B6R0.3 C[C@H](CN)C(=O)O MCULE-9009901306 [0,1,0,0,0,0|0,0,0]=1 1387 B6R0.3 C[C@H](CN)C(=O)O MCULE-9217365463 [0,1,0,0,0,0|0,0,0]=1 1388 B6R0.3 C[C@H](CO)C(=O)O MCULE-7012562122 [0,1,0,0,0,0|1,0,0]=2 1389 B6R0.3 C[C@H](CO)C(=O)O MCULE-9702865885 [0,1,0,0,0,0|1,0,0]=2 1390 B6R0.3 C[C@H](CO)C(=O)[O-] MCULE-5733737039 [0,1,0,0,0,0|1,0,1]=3 1391 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-5329315346 [0,1,0,0,0,0|2,0,1]=4 1392 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7239426628 [0,1,0,0,0,0|2,0,1]=4 1393 B6R0.3 C[C@H](O)[C@@H](N)CO MCULE-7437797788 [0,1,0,0,0,0|2,0,1]=4 1394 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-2378004602 [0,1,0,0,0,0|2,0,1]=4 1395 B6R0.3 C[C@H](O)[C@H](N)CO MCULE-9436764758 [0,1,0,0,0,0|2,0,1]=4 1396 B6R0.3 C[C@H](ON)C(=O)O MCULE-3327889540 [0,1,0,0,0,0|1,0,0]=2 1397 B6R0.3 C[C@H](ON)C(=O)O MCULE-4523264650 [0,1,0,0,0,0|1,0,0]=2 1398 B6R0.3 N#CC(Br)C(=O)N MCULE-3091108124 [0,1,0,0,0,0|1,0,2]=4 1399 B6R0.3 N#CC(N)C(=O)N MCULE-3175667831 [0,1,0,0,0,0|1,0,2]=4 1400 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,1,0,0,0,0|2,0,0]=3 1401 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,1,0,0,0,0|2,0,0]=3 1402 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,0,0,0,0|2,0,0]=3 1403 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,0,0,0,0|2,0,0]=3 1404 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,1,0,0,0,0|2,0,0]=3 1405 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,1,0,0,0,0|2,0,0]=3 1406 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,0,0,0,0|2,0,0]=3 1407 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,0,0,0,0|2,0,0]=3 1408 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,0,0,0,0|2,0,0]=3 1409 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,1,0,0,0,0|2,0,0]=3 1410 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,0,0,0,0|2,0,0]=3 1411 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,0,0,0,0|2,0,0]=3 1412 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,0,0,0,0|2,0,0]=3 1413 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,0,0,0,0|2,0,0]=3 1414 B6R0.3 NC(CCl)C(=O)O MCULE-1601405489 [0,1,0,0,0,0|1,0,0]=2 1415 B6R0.3 NC(CCl)C(=O)O MCULE-3020306643 [0,1,0,0,0,0|1,0,0]=2 1416 B6R0.3 NC(CCl)C(=O)O MCULE-5440349631 [0,1,0,0,0,0|1,0,0]=2 1417 B6R0.3 NC(CF)C(=O)O MCULE-3274339636 [0,1,0,0,0,0|1,0,0]=2 1418 B6R0.3 NC(CO)C(=O)O MCULE-2425237422 [0,1,0,0,0,0|1,0,0]=2 1419 B6R0.3 NC(CO)C(=O)O MCULE-6460387318 [0,1,0,0,0,0|1,0,0]=2 1420 B6R0.3 NC(CS)C(=O)O MCULE-1666411258 [0,1,0,0,0,0|1,0,0]=2 1421 B6R0.3 NC(CS)C(=O)O MCULE-2938329352 [0,1,0,0,0,0|1,0,0]=2 1422 B6R0.3 NC(CS)C(=O)O MCULE-7203902929 [0,1,0,0,0,0|1,0,0]=2 1423 B6R0.3 NC(CS)C(=O)O MCULE-7790846545 [0,1,0,0,0,0|1,0,0]=2 1424 B6R0.3 NCC(=C(Cl)Cl)Cl MCULE-2964597972 [0,1,0,0,0,0|2,0,1]=4 1425 B6R0.3 NCC(=C(Cl)Cl)Cl MCULE-7347200020 [0,1,0,0,0,0|2,0,1]=4 1426 B6R0.3 NCC(Br)C(=O)O MCULE-2289205408 [0,1,0,0,0,0|0,0,0]=1 1427 B6R0.3 NCC(Br)C(=O)O MCULE-9361399143 [0,1,0,0,0,0|0,0,0]=1 1428 B6R0.3 NCC(F)C(=O)O MCULE-5666887061 [0,1,0,0,0,0|0,0,0]=1 1429 B6R0.3 NCC(F)C(=O)O MCULE-6134707533 [0,1,0,0,0,0|0,0,0]=1 1430 B6R0.3 NCC(N)C(=O)O MCULE-1867799207 [0,1,0,0,0,0|0,0,0]=1 1431 B6R0.3 NCC(N)C(=O)O MCULE-4853376364 [0,1,0,0,0,0|0,0,0]=1 1432 B6R0.3 NCC(N)C(=O)O MCULE-7636331821 [0,1,0,0,0,0|0,0,0]=1 1433 B6R0.3 NCC(N)C(=O)O MCULE-7735444546 [0,1,0,0,0,0|0,0,0]=1 1434 B6R0.3 NCC(N)C(=O)O MCULE-9197553017 [0,1,0,0,0,0|0,0,0]=1 1435 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,0,0,0,0|1,0,0]=2 1436 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,0,0,0,0|1,0,0]=2 1437 B6R0.3 NCC(O)C(=O)O MCULE-2137675488 [0,1,0,0,0,0|0,0,0]=1 1438 B6R0.3 NCC(O)C(=O)O MCULE-3348306437 [0,1,0,0,0,0|0,0,0]=1 1439 B6R0.3 NCC(O)C(F)F MCULE-3263599594 [0,1,0,0,0,0|2,0,1]=4 1440 B6R0.3 NCC(O)C(F)F MCULE-6925242752 [0,1,0,0,0,0|2,0,1]=4 1441 B6R0.3 NC[C@@H](F)C(=O)O MCULE-3544959183 [0,1,0,0,0,0|0,0,0]=1 1442 B6R0.3 NC[C@@H](F)C(=O)O MCULE-4122418685 [0,1,0,0,0,0|0,0,0]=1 1443 B6R0.3 NC[C@@H](F)C(=O)O MCULE-8592364466 [0,1,0,0,0,0|0,0,0]=1 1444 B6R0.3 NC[C@@H](F)C(=O)O MCULE-9106826144 [0,1,0,0,0,0|0,0,0]=1 1445 B6R0.3 NC[C@@H](N)C(=O)O MCULE-5363126654 [0,1,0,0,0,0|0,0,0]=1 1446 B6R0.3 NC[C@@H](N)C(=O)O MCULE-8998345978 [0,1,0,0,0,0|0,0,0]=1 1447 B6R0.3 NC[C@@H](N)C(=O)O MCULE-9125384126 [0,1,0,0,0,0|0,0,0]=1 1448 B6R0.3 NC[C@@H](O)C(=O)O MCULE-5922773276 [0,1,0,0,0,0|0,0,0]=1 1449 B6R0.3 NC[C@@H](O)C(=O)O MCULE-8921832932 [0,1,0,0,0,0|0,0,0]=1 1450 B6R0.3 NC[C@H](F)C(=O)O MCULE-2695037152 [0,1,0,0,0,0|0,0,0]=1 1451 B6R0.3 NC[C@H](F)C(=O)O MCULE-4323150722 [0,1,0,0,0,0|0,0,0]=1 1452 B6R0.3 NC[C@H](F)C(=O)O MCULE-6701791437 [0,1,0,0,0,0|0,0,0]=1 1453 B6R0.3 NC[C@H](F)C(=O)O MCULE-7674783008 [0,1,0,0,0,0|0,0,0]=1 1454 B6R0.3 NC[C@H](N)C(=O)O MCULE-1389567062 [0,1,0,0,0,0|0,0,0]=1 1455 B6R0.3 NC[C@H](N)C(=O)O MCULE-1833064192 [0,1,0,0,0,0|0,0,0]=1 1456 B6R0.3 NC[C@H](N)C(=O)O MCULE-2347369254 [0,1,0,0,0,0|0,0,0]=1 1457 B6R0.3 NC[C@H](N)C(=O)O MCULE-2781423323 [0,1,0,0,0,0|0,0,0]=1 1458 B6R0.3 NC[C@H](N)C(=O)O MCULE-6498458695 [0,1,0,0,0,0|0,0,0]=1 1459 B6R0.3 NC[C@H](N)C(=O)O MCULE-8313668715 [0,1,0,0,0,0|0,0,0]=1 1460 B6R0.3 NC[C@H](O)C(=O)O MCULE-5854124012 [0,1,0,0,0,0|0,0,0]=1 1461 B6R0.3 NC[C@H](O)C(=O)O MCULE-7536593166 [0,1,0,0,0,0|0,0,0]=1 1462 B6R0.3 NNC(=O)C(=O)N MCULE-5080628360 [0,1,0,0,0,0|2,0,1]=4 1463 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-2896868744 [0,1,0,0,0,0|1,0,0]=2 1464 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-5799339909 [0,1,0,0,0,0|1,0,0]=2 1465 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-7445121230 [0,1,0,0,0,0|1,0,0]=2 1466 B6R0.3 N[C@@H](CCl)C(=O)O MCULE-9137000163 [0,1,0,0,0,0|1,0,0]=2 1467 B6R0.3 N[C@@H](CO)C(=O)O MCULE-4580794842 [0,1,0,0,0,0|1,0,0]=2 1468 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5604658333 [0,1,0,0,0,0|1,0,0]=2 1469 B6R0.3 N[C@@H](CO)C(=O)O MCULE-5884286841 [0,1,0,0,0,0|1,0,0]=2 1470 B6R0.3 N[C@@H](CO)C(=O)O MCULE-6118038121 [0,1,0,0,0,0|1,0,0]=2 1471 B6R0.3 N[C@@H](CS)C(=O)O MCULE-1896679526 [0,1,0,0,0,0|1,0,0]=2 1472 B6R0.3 N[C@@H](CS)C(=O)O MCULE-2206038012 [0,1,0,0,0,0|1,0,0]=2 1473 B6R0.3 N[C@@H](CS)C(=O)O MCULE-6337217524 [0,1,0,0,0,0|1,0,0]=2 1474 B6R0.3 N[C@@H](CS)C(=O)O MCULE-9685479191 [0,1,0,0,0,0|1,0,0]=2 1475 B6R0.3 N[C@H](CCl)C(=O)O MCULE-2647266636 [0,1,0,0,0,0|1,0,0]=2 1476 B6R0.3 N[C@H](CCl)C(=O)O MCULE-7797369596 [0,1,0,0,0,0|1,0,0]=2 1477 B6R0.3 N[C@H](CCl)C(=O)O MCULE-8133148482 [0,1,0,0,0,0|1,0,0]=2 1478 B6R0.3 N[C@H](CCl)C(=O)O MCULE-9324545858 [0,1,0,0,0,0|1,0,0]=2 1479 B6R0.3 N[C@H](CF)C(=O)O MCULE-4766495272 [0,1,0,0,0,0|1,0,0]=2 1480 B6R0.3 N[C@H](CF)C(=O)O MCULE-7679315401 [0,1,0,0,0,0|1,0,0]=2 1481 B6R0.3 N[C@H](CO)C(=O)O MCULE-3271603208 [0,1,0,0,0,0|1,0,0]=2 1482 B6R0.3 N[C@H](CO)C(=O)O MCULE-8560981570 [0,1,0,0,0,0|1,0,0]=2 1483 B6R0.3 N[C@H](CS)C(=O)O MCULE-2137827959 [0,1,0,0,0,0|1,0,0]=2 1484 B6R0.3 N[C@H](CS)C(=O)O MCULE-4521387126 [0,1,0,0,0,0|1,0,0]=2 1485 B6R0.3 N[C@H](CS)C(=O)O MCULE-7201506202 [0,1,0,0,0,0|1,0,0]=2 1486 B6R0.3 N[C@H](CS)C(=O)O MCULE-9147562606 [0,1,0,0,0,0|1,0,0]=2 1487 B6R0.3 O=C(Cl)C(=O)CBr MCULE-1637788630 [0,1,0,0,0,0|2,0,1]=4 1488 B6R0.3 O=C(Cl)C(Br)CBr MCULE-8490174834 [0,1,0,0,0,0|2,0,0]=3 1489 B6R0.3 O=C(Cl)C(Cl)CCl MCULE-5571003994 [0,1,0,0,0,0|2,0,0]=3 1490 B6R0.3 O=C(O)/C(=C/Cl)/Cl MCULE-4317518344 [0,1,0,0,0,0|1,0,2]=4 1491 B6R0.3 O=C(O)C(=CCl)Cl MCULE-2693859334 [0,1,0,0,0,0|1,0,2]=4 1492 B6R0.3 O=C(O)C(=O)CBr MCULE-4768170572 [0,1,0,0,0,0|1,0,1]=3 1493 B6R0.3 O=C(O)C(=O)CCl MCULE-7853426045 [0,1,0,0,0,0|1,0,1]=3 1494 B6R0.3 O=C(O)C(=O)CF MCULE-5884987827 [0,1,0,0,0,0|1,0,1]=3 1495 B6R0.3 O=C(O)C(=O)CO MCULE-2263002631 [0,1,0,0,0,0|1,0,1]=3 1496 B6R0.3 O=C(O)C(=O)CS MCULE-7466669113 [0,1,0,0,0,0|1,0,1]=3 1497 B6R0.3 O=C(O)C(Br)CBr MCULE-9991448725 [0,1,0,0,0,0|1,0,0]=2 1498 B6R0.3 O=C(O)C(Br)CF MCULE-6577995297 [0,1,0,0,0,0|1,0,0]=2 1499 B6R0.3 O=C(O)C(Br)CO MCULE-9060407295 [0,1,0,0,0,0|1,0,0]=2 1500 B6R0.3 O=C(O)C(Cl)CCl MCULE-4757238565 [0,1,0,0,0,0|1,0,0]=2 1501 B6R0.3 O=C(O)C(Cl)CO MCULE-3671026398 [0,1,0,0,0,0|1,0,0]=2 1502 B6R0.3 O=C(O)C(F)CF MCULE-4323199927 [0,1,0,0,0,0|1,0,0]=2 1503 B6R0.3 O=C(O)C(O)CBr MCULE-2600199692 [0,1,0,0,0,0|1,0,0]=2 1504 B6R0.3 O=C(O)C(O)CCl MCULE-6346810624 [0,1,0,0,0,0|1,0,0]=2 1505 B6R0.3 O=C(O)C(O)CO MCULE-3634533503 [0,1,0,0,0,0|1,0,0]=2 1506 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-4486884639 [0,1,0,0,0,0|1,0,0]=2 1507 B6R0.3 O=C(O)[C@@H](Br)CO MCULE-8586594526 [0,1,0,0,0,0|1,0,0]=2 1508 B6R0.3 O=C(O)[C@@H](O)CCl MCULE-4927034524 [0,1,0,0,0,0|1,0,0]=2 1509 B6R0.3 O=C(O)[C@@H](O)CO MCULE-4917119993 [0,1,0,0,0,0|1,0,0]=2 1510 B6R0.3 O=C(O)[C@@H](O)CO MCULE-7996851129 [0,1,0,0,0,0|1,0,0]=2 1511 B6R0.3 O=C(O)[C@H](Br)CO MCULE-3770944978 [0,1,0,0,0,0|1,0,0]=2 1512 B6R0.3 O=C(O)[C@H](Br)CO MCULE-6926119866 [0,1,0,0,0,0|1,0,0]=2 1513 B6R0.3 O=C(O)[C@H](O)CF MCULE-4453713074 [0,1,0,0,0,0|1,0,0]=2 1514 B6R0.3 O=C([O-])C(=O)CF MCULE-9109967389 [0,1,0,0,0,0|1,0,2]=4 1515 B6R0.3 O=C([O-])C(=O)CS MCULE-4375165973 [0,1,0,0,0,0|1,0,2]=4 1516 B6R0.3 O=C([O-])[C@@H](O)CO MCULE-4498291090 [0,1,0,0,0,0|1,0,1]=3 1517 B6R0.3 O=N(=O)C(Br)CO MCULE-2147001744 [0,1,0,0,0,0|2,0,1]=4 1518 B6R0.3 [C@@H](N)(C=C)C(=O)O MCULE-9406839633 [0,1,0,0,0,0|1,0,1]=3 1519 B6R0.3 [C@@H](N)(CN)C(=O)O MCULE-2844054083 [0,1,0,0,0,0|0,0,0]=1 1520 B6R0.3 [C@H](C)(NC)C(=O)O MCULE-3677465746 [0,1,0,0,0,0|2,0,0]=3 1521 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,0,0,0,0|2,0,0]=3 1522 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|1,0,0]=2 1523 B6R0.3 [SeH]C[C@H](N)C(=O)O MCULE-8205075370 [0,1,0,0,0,0|1,0,0]=2 1524 B6R0.4 C#CCCC(=O)C MCULE-8723638688 [0,1,0,0,0,0|2,0,0]=3 1525 B6R0.4 C#CCCC(=O)Cl MCULE-5720262741 [0,1,0,0,0,0|2,0,0]=3 1526 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,1,0,0,0,0|2,0,0]=3 1527 B6R0.4 C#CCCC(=O)O MCULE-6669146060 [0,1,0,0,0,0|1,0,0]=2 1528 B6R0.4 C#CCCC(=O)[O-] MCULE-2972869840 [0,1,0,0,0,0|1,0,1]=3 1529 B6R0.4 C#CCCC(C)O MCULE-1476308263 [0,1,0,0,0,0|2,0,1]=4 1530 B6R0.4 C#CCCN(=O)=O MCULE-9436796906 [0,1,0,0,0,0|2,0,1]=4 1531 B6R0.4 C#CCNC(=O)C MCULE-1159984782 [0,1,0,0,0,0|2,0,1]=4 1532 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [0,1,0,0,0,0|2,0,1]=4 1533 B6R0.4 C#CCOC(=O)C MCULE-5002994323 [0,1,0,0,0,0|2,0,1]=4 1534 B6R0.4 C#CCOC(=O)Cl MCULE-5453166266 [0,1,0,0,0,0|2,0,1]=4 1535 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,1,0,0,0,0|2,0,1]=4 1536 B6R0.4 C/C=C/CC(=O)Cl MCULE-5377125313 [0,1,0,0,0,0|2,0,1]=4 1537 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,1,0,0,0,0|2,0,1]=4 1538 B6R0.4 C/C=C/CC(=O)O MCULE-4626577048 [0,1,0,0,0,0|1,0,1]=3 1539 B6R0.4 C=C(C)CCC#N MCULE-9953519474 [0,1,0,0,0,0|2,0,1]=4 1540 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [0,1,0,0,0,0|3,0,0]=4 1541 B6R0.4 C=C(C)CCCC MCULE-1010177756 [0,1,0,0,0,0|3,0,0]=4 1542 B6R0.4 C=C(C)CCCO MCULE-4629274490 [0,1,0,0,0,0|3,0,0]=4 1543 B6R0.4 C=C(C)CNCC MCULE-2237759977 [0,1,0,0,0,0|3,0,0]=4 1544 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [0,1,0,0,0,0|3,0,0]=4 1545 B6R0.4 C=C(F)CCCO MCULE-1688645687 [0,1,0,0,0,0|3,0,0]=4 1546 B6R0.4 C=C/C=C/C(=O)O MCULE-7975593411 [0,1,0,0,0,0|1,0,2]=4 1547 B6R0.4 C=C=CCC(=O)O MCULE-2611659307 [0,1,0,0,0,0|1,0,1]=3 1548 B6R0.4 C=CC=CC(=O)O MCULE-5189540617 [0,1,0,0,0,0|1,0,2]=4 1549 B6R0.4 C=CCCB(O)O MCULE-9431650735 [0,1,0,0,0,0|2,0,1]=4 1550 B6R0.4 C=CCCC(=C)C MCULE-2323382963 [0,1,0,0,0,0|3,0,0]=4 1551 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [0,1,0,0,0,0|3,0,0]=4 1552 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [0,1,0,0,0,0|3,0,0]=4 1553 B6R0.4 C=CCCC(=O)C MCULE-9598399930 [0,1,0,0,0,0|2,0,0]=3 1554 B6R0.4 C=CCCC(=O)Cl MCULE-7378353157 [0,1,0,0,0,0|2,0,0]=3 1555 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,1,0,0,0,0|2,0,0]=3 1556 B6R0.4 C=CCCC(=O)O MCULE-6221951425 [0,1,0,0,0,0|1,0,0]=2 1557 B6R0.4 C=CCCC(C)O MCULE-3388106789 [0,1,0,0,0,0|2,0,1]=4 1558 B6R0.4 C=CCCN(=O)=O MCULE-9645435231 [0,1,0,0,0,0|2,0,1]=4 1559 B6R0.4 C=CCC[C@@H](C)O MCULE-1272820385 [0,1,0,0,0,0|2,0,1]=4 1560 B6R0.4 C=CCC[C@@H](C)O MCULE-8509867177 [0,1,0,0,0,0|2,0,1]=4 1561 B6R0.4 C=CCC[C@H](C)O MCULE-4371391667 [0,1,0,0,0,0|2,0,1]=4 1562 B6R0.4 C=CCNC(=O)C MCULE-7903624915 [0,1,0,0,0,0|2,0,1]=4 1563 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,1,0,0,0,0|2,0,1]=4 1564 B6R0.4 C=CCOC(=O)C MCULE-9991130828 [0,1,0,0,0,0|2,0,1]=4 1565 B6R0.4 C=CCOC(=O)Cl MCULE-3513251417 [0,1,0,0,0,0|2,0,1]=4 1566 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,1,0,0,0,0|2,0,1]=4 1567 B6R0.4 C=CNCC(=O)O MCULE-5142273921 [0,1,0,0,0,0|1,0,1]=3 1568 B6R0.4 CC#CCC(=O)O MCULE-8576178825 [0,1,0,0,0,0|1,0,1]=3 1569 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [0,1,0,0,0,0|3,0,0]=4 1570 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,1,0,0,0,0|2,0,0]=3 1571 B6R0.4 CC(=CCCO)C MCULE-2493404466 [0,1,0,0,0,0|3,0,0]=4 1572 B6R0.4 CC(=CCCO)C MCULE-8497528596 [0,1,0,0,0,0|3,0,0]=4 1573 B6R0.4 CC(=O)CCC#N MCULE-6810756363 [0,1,0,0,0,0|1,0,1]=3 1574 B6R0.4 CC(=O)CCC=O MCULE-4767690464 [0,1,0,0,0,0|2,0,0]=3 1575 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,1,0,0,0,0|2,0,0]=3 1576 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,1,0,0,0,0|2,0,0]=3 1577 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,1,0,0,0,0|2,0,0]=3 1578 B6R0.4 CC(=O)CSC#N MCULE-5774397655 [0,1,0,0,0,0|1,0,2]=4 1579 B6R0.4 CC(=O)NCC#N MCULE-2345227602 [0,1,0,0,0,0|1,0,2]=4 1580 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,1,0,0,0,0|2,0,0]=3 1581 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,1,0,0,0,0|1,0,0]=2 1582 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,1,0,0,0,0|2,0,0]=3 1583 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,1,0,0,0,0|2,0,0]=3 1584 B6R0.4 CC(=O)OCC#N MCULE-4866082576 [0,1,0,0,0,0|1,0,2]=4 1585 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,1,0,0,0,0|2,0,0]=3 1586 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,1,0,0,0,0|2,0,0]=3 1587 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,1,0,0,0,0|1,0,0]=2 1588 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,1,0,0,0,0|1,0,0]=2 1589 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,1,0,0,0,0|2,0,0]=3 1590 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [0,1,0,0,0,0|1,0,2]=4 1591 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,1,0,0,0,0|2,0,0]=3 1592 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,1,0,0,0,0|1,0,0]=2 1593 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,1,0,0,0,0|1,0,0]=2 1594 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,1,0,0,0,0|1,0,0]=2 1595 B6R0.4 CC(C)CCCN MCULE-2232715676 [0,1,0,0,0,0|2,0,1]=4 1596 B6R0.4 CC(C)CCCN MCULE-7121372197 [0,1,0,0,0,0|2,0,1]=4 1597 B6R0.4 CC(C)CCNN MCULE-1163630283 [0,1,0,0,0,0|2,0,1]=4 1598 B6R0.4 CC(C)CCNN MCULE-2023326468 [0,1,0,0,0,0|2,0,1]=4 1599 B6R0.4 CC(C)CCNN MCULE-4572239737 [0,1,0,0,0,0|2,0,1]=4 1600 B6R0.4 CC(C)CCON MCULE-2653553816 [0,1,0,0,0,0|2,0,1]=4 1601 B6R0.4 CC(C)CCON MCULE-6468395078 [0,1,0,0,0,0|2,0,1]=4 1602 B6R0.4 CC(C)NCCN MCULE-1003086359 [0,1,0,0,0,0|2,0,1]=4 1603 B6R0.4 CC(C)NCCN MCULE-5066931507 [0,1,0,0,0,0|2,0,1]=4 1604 B6R0.4 CC(C)OCCN MCULE-6140628944 [0,1,0,0,0,0|2,0,1]=4 1605 B6R0.4 CC(C)OCCN MCULE-7438591135 [0,1,0,0,0,0|2,0,1]=4 1606 B6R0.4 CC(C)OCCN MCULE-7614115649 [0,1,0,0,0,0|2,0,1]=4 1607 B6R0.4 CC(C)SCCN MCULE-2838203545 [0,1,0,0,0,0|2,0,1]=4 1608 B6R0.4 CC(C)SCCN MCULE-6551225219 [0,1,0,0,0,0|2,0,1]=4 1609 B6R0.4 CC(N)CCCN MCULE-4857113826 [0,1,0,0,0,0|2,0,1]=4 1610 B6R0.4 CC(N)CCCN MCULE-4899798325 [0,1,0,0,0,0|2,0,1]=4 1611 B6R0.4 CC(O)CCC#N MCULE-6350143710 [0,1,0,0,0,0|1,0,2]=4 1612 B6R0.4 CC(O)CCCBr MCULE-5477662754 [0,1,0,0,0,0|2,0,1]=4 1613 B6R0.4 CC(O)CCCCl MCULE-6993728810 [0,1,0,0,0,0|2,0,1]=4 1614 B6R0.4 CC(O)CCCN MCULE-3754805134 [0,1,0,0,0,0|1,0,1]=3 1615 B6R0.4 CC(O)CCCO MCULE-6580326052 [0,1,0,0,0,0|2,0,1]=4 1616 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,1,0,0,0,0|2,0,1]=4 1617 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,1,0,0,0,0|1,0,1]=3 1618 B6R0.4 CC=CCC(=O)O MCULE-9174714653 [0,1,0,0,0,0|1,0,1]=3 1619 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [0,1,0,0,0,0|2,0,1]=4 1620 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,1,0,0,0,0|1,0,1]=3 1621 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,1,0,0,0,0|2,0,1]=4 1622 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,1,0,0,0,0|2,0,1]=4 1623 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,1,0,0,0,0|1,0,1]=3 1624 B6R0.4 CCCC=C(C)C MCULE-2110588796 [0,1,0,0,0,0|3,0,0]=4 1625 B6R0.4 CCCCB(O)O MCULE-9002672645 [0,1,0,0,0,0|2,0,1]=4 1626 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,1,0,0,0,0|3,0,0]=4 1627 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,1,0,0,0,0|3,0,0]=4 1628 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,1,0,0,0,0|2,0,0]=3 1629 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,1,0,0,0,0|2,0,0]=3 1630 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,1,0,0,0,0|2,0,0]=3 1631 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,1,0,0,0,0|2,0,0]=3 1632 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,1,0,0,0,0|1,0,0]=2 1633 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,1,0,0,0,0|1,0,1]=3 1634 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,1,0,0,0,0|2,1,0]=4 1635 B6R0.4 CCCCC(C)O MCULE-6558228722 [0,1,0,0,0,0|2,0,1]=4 1636 B6R0.4 CCCCN(=O)=O MCULE-7679767771 [0,1,0,0,0,0|2,0,1]=4 1637 B6R0.4 CCCCS(=O)[O-] MCULE-4347348762 [0,1,0,0,0,0|2,0,1]=4 1638 B6R0.4 CCCCS(=O)[O-] MCULE-8153578421 [0,1,0,0,0,0|2,0,1]=4 1639 B6R0.4 CCCC[C@@H](C)O MCULE-3149375333 [0,1,0,0,0,0|2,0,1]=4 1640 B6R0.4 CCCC[C@@H](C)O MCULE-5463481348 [0,1,0,0,0,0|2,0,1]=4 1641 B6R0.4 CCCC[C@H](C)O MCULE-1658952902 [0,1,0,0,0,0|2,0,1]=4 1642 B6R0.4 CCCC[C@H](C)O MCULE-7987243522 [0,1,0,0,0,0|2,0,1]=4 1643 B6R0.4 CCCNC(=N)N MCULE-6381843991 [0,1,0,0,0,0|3,0,0]=4 1644 B6R0.4 CCCNC(=N)N MCULE-8286774592 [0,1,0,0,0,0|3,0,0]=4 1645 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,1,0,0,0,0|2,0,0]=3 1646 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,1,0,0,0,0|2,0,0]=3 1647 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,1,0,0,0,0|2,0,0]=3 1648 B6R0.4 CCCNC(=S)N MCULE-3142756488 [0,1,0,0,0,0|2,1,0]=4 1649 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,1,0,0,0,0|2,0,0]=3 1650 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,1,0,0,0,0|2,0,0]=3 1651 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,1,0,0,0,0|2,0,0]=3 1652 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [0,1,0,0,0,0|1,2,0]=4 1653 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [0,1,0,0,0,0|1,2,0]=4 1654 B6R0.4 CCCON(=O)=O MCULE-3372904250 [0,1,0,0,0,0|2,0,1]=4 1655 B6R0.4 CCCSC(=N)N MCULE-4777505658 [0,1,0,0,0,0|3,0,0]=4 1656 B6R0.4 CCCSC(=N)N MCULE-8873393921 [0,1,0,0,0,0|3,0,0]=4 1657 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,1,0,0,0,0|2,0,0]=3 1658 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,1,0,0,0,0|2,0,0]=3 1659 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [0,1,0,0,0,0|3,0,0]=4 1660 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,1,0,0,0,0|2,0,0]=3 1661 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,1,0,0,0,0|2,0,0]=3 1662 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,1,0,0,0,0|2,0,0]=3 1663 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,1,0,0,0,0|2,0,0]=3 1664 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,1,0,0,0,0|1,0,0]=2 1665 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,1,0,0,0,0|1,0,0]=2 1666 B6R0.4 CCNCC(C)O MCULE-5078068369 [0,1,0,0,0,0|2,0,1]=4 1667 B6R0.4 CCNC[C@@H](C)O MCULE-4291219061 [0,1,0,0,0,0|2,0,1]=4 1668 B6R0.4 CCNC[C@@H](C)O MCULE-8603386701 [0,1,0,0,0,0|2,0,1]=4 1669 B6R0.4 CCNC[C@H](C)O MCULE-7173470231 [0,1,0,0,0,0|2,0,1]=4 1670 B6R0.4 CCNC[C@H](C)O MCULE-9651301254 [0,1,0,0,0,0|2,0,1]=4 1671 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,1,0,0,0,0|3,0,0]=4 1672 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,1,0,0,0,0|3,0,0]=4 1673 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,1,0,0,0,0|2,0,0]=3 1674 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,1,0,0,0,0|2,0,0]=3 1675 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,1,0,0,0,0|1,0,0]=2 1676 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,1,0,0,0,0|2,1,0]=4 1677 B6R0.4 CCOCC(C)O MCULE-6224339526 [0,1,0,0,0,0|2,0,1]=4 1678 B6R0.4 CCOC[C@@H](C)O MCULE-9075407512 [0,1,0,0,0,0|2,0,1]=4 1679 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,1,0,0,0,0|2,0,0]=3 1680 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,1,0,0,0,0|1,0,0]=2 1681 B6R0.4 CN(C)CCCN MCULE-3882436382 [0,1,0,0,0,0|3,0,0]=4 1682 B6R0.4 CN(C)CCCN MCULE-4415270662 [0,1,0,0,0,0|3,0,0]=4 1683 B6R0.4 CN(C)CCCN MCULE-4624916051 [0,1,0,0,0,0|3,0,0]=4 1684 B6R0.4 CN(C)CCCN MCULE-4749435878 [0,1,0,0,0,0|3,0,0]=4 1685 B6R0.4 CN(C)CCCN MCULE-9301668058 [0,1,0,0,0,0|3,0,0]=4 1686 B6R0.4 CN(C)CCNN MCULE-5321668174 [0,1,0,0,0,0|3,0,0]=4 1687 B6R0.4 CN(C)CCNN MCULE-6578987911 [0,1,0,0,0,0|3,0,0]=4 1688 B6R0.4 CN(C)CCON MCULE-1981169712 [0,1,0,0,0,0|3,0,0]=4 1689 B6R0.4 CN(C)CCON MCULE-6706970282 [0,1,0,0,0,0|3,0,0]=4 1690 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,1,0,0,0,0|1,0,0]=2 1691 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,1,0,0,0,0|1,0,0]=2 1692 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,1,0,0,0,0|0,0,0]=1 1693 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,1,0,0,0,0|0,0,0]=1 1694 B6R0.4 CNCCC(C)C MCULE-3679914556 [0,1,0,0,0,0|2,0,1]=4 1695 B6R0.4 CNCCC(C)C MCULE-9679972004 [0,1,0,0,0,0|2,0,1]=4 1696 B6R0.4 CNCCC(C)N MCULE-5955505029 [0,1,0,0,0,0|2,0,1]=4 1697 B6R0.4 CNCCC(C)N MCULE-8933967952 [0,1,0,0,0,0|2,0,1]=4 1698 B6R0.4 CNCCC(C)O MCULE-1615526002 [0,1,0,0,0,0|1,0,1]=3 1699 B6R0.4 CNCCN(C)C MCULE-3324857553 [0,1,0,0,0,0|3,0,0]=4 1700 B6R0.4 CNCCN(C)C MCULE-8014008412 [0,1,0,0,0,0|3,0,0]=4 1701 B6R0.4 CNCCN(C)C MCULE-9954339750 [0,1,0,0,0,0|3,0,0]=4 1702 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [0,1,0,0,0,0|2,0,1]=4 1703 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [0,1,0,0,0,0|2,0,1]=4 1704 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [0,1,0,0,0,0|2,0,1]=4 1705 B6R0.4 CO/C=C/C(=O)O MCULE-3681049176 [0,1,0,0,0,0|1,0,2]=4 1706 B6R0.4 COC=CC(=O)O MCULE-4252899122 [0,1,0,0,0,0|1,0,2]=4 1707 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,1,0,0,0,0|3,0,0]=4 1708 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,1,0,0,0,0|3,0,0]=4 1709 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,1,0,0,0,0|2,0,0]=3 1710 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,1,0,0,0,0|2,0,0]=3 1711 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,1,0,0,0,0|2,0,0]=3 1712 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,1,0,0,0,0|1,0,0]=2 1713 B6R0.4 COCCC(C)O MCULE-6536001437 [0,1,0,0,0,0|2,0,1]=4 1714 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,1,0,0,0,0|3,0,0]=4 1715 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,1,0,0,0,0|3,0,0]=4 1716 B6R0.4 CON=CC(=O)O MCULE-6800819509 [0,1,0,0,0,0|2,0,1]=4 1717 B6R0.4 CS(=O)CCCN MCULE-1124989526 [0,1,0,0,0,0|2,0,0]=3 1718 B6R0.4 CS(=O)CCCN MCULE-8758903495 [0,1,0,0,0,0|2,0,0]=3 1719 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,1,0,0,0,0|3,0,0]=4 1720 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,1,0,0,0,0|3,0,0]=4 1721 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,1,0,0,0,0|2,0,0]=3 1722 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,1,0,0,0,0|2,0,0]=3 1723 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,1,0,0,0,0|2,0,0]=3 1724 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,1,0,0,0,0|1,0,0]=2 1725 B6R0.4 CSCCC(C)O MCULE-5934844952 [0,1,0,0,0,0|2,0,1]=4 1726 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,1,0,0,0,0|3,0,0]=4 1727 B6R0.4 CSSCC(=O)O MCULE-5829510166 [0,1,0,0,0,0|2,0,0]=3 1728 B6R0.4 C[C@@H](O)CCCO MCULE-1658231016 [0,1,0,0,0,0|2,0,1]=4 1729 B6R0.4 FC(=CCCBr)F MCULE-2616028843 [0,1,0,0,0,0|3,0,0]=4 1730 B6R0.4 FC(=CCCCl)F MCULE-2193644602 [0,1,0,0,0,0|3,0,0]=4 1731 B6R0.4 N#CC=CC(=O)O MCULE-9790502930 [0,1,0,0,0,0|0,0,3]=4 1732 B6R0.4 N#CCCC(=O)O MCULE-3165189228 [0,1,0,0,0,0|0,0,1]=2 1733 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [0,1,0,0,0,0|1,0,2]=4 1734 B6R0.4 N#C[Se]CC(=O)O MCULE-1382907788 [0,1,0,0,0,0|0,0,2]=3 1735 B6R0.4 N#C[Se]CC(=O)[O-] MCULE-6957286300 [0,1,0,0,0,0|0,0,3]=4 1736 B6R0.4 N#N=NCC(=O)N MCULE-8839477322 [0,1,0,0,0,0|2,0,1]=4 1737 B6R0.4 N#N=NCC(=O)O MCULE-3031425162 [0,1,0,0,0,0|1,0,1]=3 1738 B6R0.4 N/N=C/NC(=O)N MCULE-6272806279 [0,1,0,0,0,0|2,0,1]=4 1739 B6R0.4 N/N=C/NC(=O)N MCULE-7518775080 [0,1,0,0,0,0|2,0,1]=4 1740 B6R0.4 N=C(N)NCCO MCULE-5114367892 [0,1,0,0,0,0|3,0,0]=4 1741 B6R0.4 N=C(N)NCCO MCULE-6389092248 [0,1,0,0,0,0|3,0,0]=4 1742 B6R0.4 N=C(N)NCCS MCULE-1108122235 [0,1,0,0,0,0|3,0,0]=4 1743 B6R0.4 N=C(N)NCCS MCULE-1842583721 [0,1,0,0,0,0|3,0,0]=4 1744 B6R0.4 N=C(N)NCCS MCULE-4497722042 [0,1,0,0,0,0|3,0,0]=4 1745 B6R0.4 N=C(N)NCCS MCULE-6123443321 [0,1,0,0,0,0|3,0,0]=4 1746 B6R0.4 N=C(N)SCCN MCULE-1482556327 [0,1,0,0,0,0|2,0,0]=3 1747 B6R0.4 N=C(N)SCCO MCULE-5563309692 [0,1,0,0,0,0|3,0,0]=4 1748 B6R0.4 N=C(N)SCCO MCULE-5671847690 [0,1,0,0,0,0|3,0,0]=4 1749 B6R0.4 NC(=NCCO)N MCULE-5043697998 [0,1,0,0,0,0|3,0,0]=4 1750 B6R0.4 NC(=NCCS)N MCULE-4111802244 [0,1,0,0,0,0|3,0,0]=4 1751 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,1,0,0,0,0|2,0,0]=3 1752 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,1,0,0,0,0|2,0,0]=3 1753 B6R0.4 NC(=O)CN=C=S MCULE-1111706944 [0,1,0,0,0,0|2,0,1]=4 1754 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,1,0,0,0,0|2,0,0]=3 1755 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,1,0,0,0,0|2,0,0]=3 1756 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,1,0,0,0,0|2,0,0]=3 1757 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,1,0,0,0,0|2,0,0]=3 1758 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,1,0,0,0,0|2,0,0]=3 1759 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,1,0,0,0,0|2,1,0]=4 1760 B6R0.4 NC(=S)NCCO MCULE-9343742573 [0,1,0,0,0,0|2,1,0]=4 1761 B6R0.4 NC/C=C/C(=O)O MCULE-1249244912 [0,1,0,0,0,0|0,0,1]=2 1762 B6R0.4 NCC#CC(=O)O MCULE-8511125702 [0,1,0,0,0,0|0,0,1]=2 1763 B6R0.4 NCC=CC(=O)O MCULE-3049811576 [0,1,0,0,0,0|0,0,1]=2 1764 B6R0.4 NCC=CC(=O)O MCULE-5171717036 [0,1,0,0,0,0|0,0,1]=2 1765 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,1,0,0,0,0|1,0,0]=2 1766 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,1,0,0,0,0|1,0,0]=2 1767 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,1,0,0,0,0|1,0,0]=2 1768 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,1,0,0,0,0|1,0,0]=2 1769 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,1,0,0,0,0|0,0,0]=1 1770 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,1,0,0,0,0|0,0,0]=1 1771 B6R0.4 NCCCC(F)F MCULE-3173114913 [0,1,0,0,0,0|2,0,1]=4 1772 B6R0.4 NCCCC(F)F MCULE-8441119601 [0,1,0,0,0,0|2,0,1]=4 1773 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,1,0,0,0,0|1,0,0]=2 1774 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,1,0,0,0,0|1,0,0]=2 1775 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,1,0,0,0,0|1,0,0]=2 1776 B6R0.4 NCCNC(=S)N MCULE-7473616024 [0,1,0,0,0,0|1,1,0]=3 1777 B6R0.4 NCCNC(=S)N MCULE-7947010145 [0,1,0,0,0,0|1,1,0]=3 1778 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,1,0,0,0,0|1,0,0]=2 1779 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,1,0,0,0,0|1,0,0]=2 1780 B6R0.4 NCCOC(F)F MCULE-4294860342 [0,1,0,0,0,0|2,0,1]=4 1781 B6R0.4 NCCOC(F)F MCULE-4957283927 [0,1,0,0,0,0|2,0,1]=4 1782 B6R0.4 NCCON(=O)=O MCULE-1660868950 [0,1,0,0,0,0|1,0,1]=3 1783 B6R0.4 NCCON(=O)=O MCULE-5781896981 [0,1,0,0,0,0|1,0,1]=3 1784 B6R0.4 NOCCC(=O)O MCULE-1529492904 [0,1,0,0,0,0|0,0,0]=1 1785 B6R0.4 NOCCC(=O)O MCULE-6297331357 [0,1,0,0,0,0|0,0,0]=1 1786 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,1,0,0,0,0|2,0,0]=3 1787 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,1,0,0,0,0|2,0,0]=3 1788 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,1,0,0,0,0|2,0,0]=3 1789 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,1,0,0,0,0|2,0,0]=3 1790 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,1,0,0,0,0|2,0,0]=3 1791 B6R0.4 O=C(O)/C=C/CBr MCULE-2012997584 [0,1,0,0,0,0|1,0,1]=3 1792 B6R0.4 O=C(O)/C=C/CCl MCULE-5651159998 [0,1,0,0,0,0|1,0,1]=3 1793 B6R0.4 O=C(O)/C=C/CO MCULE-1612823053 [0,1,0,0,0,0|1,0,1]=3 1794 B6R0.4 O=C(O)C#CCCl MCULE-6341675394 [0,1,0,0,0,0|1,0,1]=3 1795 B6R0.4 O=C(O)C#CCF MCULE-8744045229 [0,1,0,0,0,0|1,0,1]=3 1796 B6R0.4 O=C(O)C#CCO MCULE-1849362182 [0,1,0,0,0,0|1,0,1]=3 1797 B6R0.4 O=C(O)C=CCBr MCULE-3029375430 [0,1,0,0,0,0|1,0,1]=3 1798 B6R0.4 O=C(O)C=CCCl MCULE-1050913038 [0,1,0,0,0,0|1,0,1]=3 1799 B6R0.4 O=C(O)C=CCO MCULE-3375515425 [0,1,0,0,0,0|1,0,1]=3 1800 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,1,0,0,0,0|1,0,0]=2 1801 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,1,0,0,0,0|1,0,0]=2 1802 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,1,0,0,0,0|1,0,0]=2 1803 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,1,0,0,0,0|1,0,0]=2 1804 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,1,0,0,0,0|1,0,0]=2 1805 B6R0.4 O=C(O)CNCO MCULE-4092998319 [0,1,0,0,0,0|1,0,0]=2 1806 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,1,0,0,0,0|1,0,1]=3 1807 B6R0.4 O=C([O-])CNCO MCULE-2804068565 [0,1,0,0,0,0|1,0,1]=3 1808 B6R0.4 O=C([O-])C[N+]#C[K] MCULE-7657836645 [0,1,0,0,0,0|1,0,2]=4 1809 B6R0.4 O=CCCC(=O)O MCULE-7183864722 [0,1,0,0,0,0|1,0,0]=2 1810 B6R0.4 O=CCCN(=O)=O MCULE-3692892497 [0,1,0,0,0,0|2,0,1]=4 1811 B6R0.4 O=CNCC(=O)O MCULE-3251128290 [0,1,0,0,0,0|1,0,1]=3 1812 B6R0.4 O=N(=O)CCCBr MCULE-7541604704 [0,1,0,0,0,0|2,0,1]=4 1813 B6R0.4 O=N(=O)CCCCl MCULE-3635255631 [0,1,0,0,0,0|2,0,1]=4 1814 B6R0.4 O=N(=O)CCCO MCULE-5021681032 [0,1,0,0,0,0|2,0,1]=4 1815 B6R0.4 P(=O)([O-])OCCC MCULE-3877591764 [0,1,0,0,0,0|2,0,1]=4 1816 B6R0.4 [NH2+]=C(N)SCC[NH3+] MCULE-2799536411 [0,1,0,0,0,0|2,0,1]=4 1817 B6R0.5 C#CCS(=O)(=O)O MCULE-8861830302 [0,1,0,0,0,0|2,0,1]=4 1818 B6R0.5 C=CCS(=O)(=O)O MCULE-2373600268 [0,1,0,0,0,0|2,0,1]=4 1819 B6R0.5 CC(C)(C)CCN MCULE-6905943138 [0,1,0,0,0,0|2,0,1]=4 1820 B6R0.5 CC(C)(C)CCN MCULE-9954564734 [0,1,0,0,0,0|2,0,1]=4 1821 B6R0.5 CC(C)(F)CCN MCULE-8439738647 [0,1,0,0,0,0|2,0,1]=4 1822 B6R0.5 CC(C)(F)CCN MCULE-9182730805 [0,1,0,0,0,0|2,0,1]=4 1823 B6R0.5 CC(C)(N)CCN MCULE-3524950958 [0,1,0,0,0,0|2,0,1]=4 1824 B6R0.5 CC(C)(N)CCN MCULE-9689616736 [0,1,0,0,0,0|2,0,1]=4 1825 B6R0.5 CC(C)(O)CCBr MCULE-5311251278 [0,1,0,0,0,0|2,0,1]=4 1826 B6R0.5 CC(C)(O)CCCl MCULE-2803507835 [0,1,0,0,0,0|2,0,1]=4 1827 B6R0.5 CC(C)(O)CCI MCULE-1822716730 [0,1,0,0,0,0|2,0,1]=4 1828 B6R0.5 CC(C)(O)CCN MCULE-1233177150 [0,1,0,0,0,0|1,0,1]=3 1829 B6R0.5 CC(C)(O)CCO MCULE-4723950851 [0,1,0,0,0,0|2,0,1]=4 1830 B6R0.5 CC(C)(O)CCS MCULE-5161173776 [0,1,0,0,0,0|2,0,1]=4 1831 B6R0.5 CC(C)(O)CNN MCULE-7127432403 [0,1,0,0,0,0|2,0,1]=4 1832 B6R0.5 CC(C)(O)CNN MCULE-8281516711 [0,1,0,0,0,0|2,0,1]=4 1833 B6R0.5 CC(C)(O)CON MCULE-1954965804 [0,1,0,0,0,0|2,0,1]=4 1834 B6R0.5 CC(C)(O)CON MCULE-9916686271 [0,1,0,0,0,0|2,0,1]=4 1835 B6R0.5 CC(F)(F)CCN MCULE-2380721562 [0,1,0,0,0,0|2,0,1]=4 1836 B6R0.5 CC(F)(F)CCN MCULE-9299707465 [0,1,0,0,0,0|2,0,1]=4 1837 B6R0.5 CCCC(C)(C)O MCULE-2647276101 [0,1,0,0,0,0|2,0,1]=4 1838 B6R0.5 CCCP(=O)(O)O MCULE-3928382731 [0,1,0,0,0,0|2,0,0]=3 1839 B6R0.5 CCCS(=O)(=O)Cl MCULE-4980552385 [0,1,0,0,0,0|2,0,1]=4 1840 B6R0.5 CCCS(=O)(=O)F MCULE-7811564151 [0,1,0,0,0,0|2,0,1]=4 1841 B6R0.5 CCCS(=O)(=O)N MCULE-1554874611 [0,1,0,0,0,0|2,0,1]=4 1842 B6R0.5 CCCS(=O)(=O)O MCULE-5213264344 [0,1,0,0,0,0|2,0,0]=3 1843 B6R0.5 CCCS(=O)(=O)[O-] MCULE-5970988364 [0,1,0,0,0,0|2,0,1]=4 1844 B6R0.5 CCNS(=O)(=O)O MCULE-8674266317 [0,1,0,0,0,0|3,0,0]=4 1845 B6R0.5 CNCP(=O)(O)O MCULE-6684762988 [0,1,0,0,0,0|3,0,0]=4 1846 B6R0.5 CS(=N)(=O)CCO MCULE-8018746796 [0,1,0,0,0,0|3,0,0]=4 1847 B6R0.5 CS(=O)(=O)CCBr MCULE-8646670232 [0,1,0,0,0,0|2,0,1]=4 1848 B6R0.5 CS(=O)(=O)CCCl MCULE-2793702743 [0,1,0,0,0,0|2,0,1]=4 1849 B6R0.5 CS(=O)(=O)CCN MCULE-1321841891 [0,1,0,0,0,0|1,0,1]=3 1850 B6R0.5 CS(=O)(=O)CCN MCULE-2288346161 [0,1,0,0,0,0|1,0,1]=3 1851 B6R0.5 CS(=O)(=O)CCN MCULE-7691141389 [0,1,0,0,0,0|1,0,1]=3 1852 B6R0.5 CS(=O)(=O)CCO MCULE-1589351176 [0,1,0,0,0,0|2,0,1]=4 1853 B6R0.5 CS(=O)(=O)CCS MCULE-9115674422 [0,1,0,0,0,0|2,0,1]=4 1854 B6R0.5 C[N+](C)(C)CCN MCULE-3293219115 [0,1,0,0,0,0|3,0,0]=4 1855 B6R0.5 C[N+](C)(C)CCN MCULE-8852245898 [0,1,0,0,0,0|3,0,0]=4 1856 B6R0.5 C[N+](C)(C)CCN MCULE-9184903626 [0,1,0,0,0,0|3,0,0]=4 1857 B6R0.5 C[Si](C)(C)CCN MCULE-2403043655 [0,1,0,0,0,0|2,1,0]=4 1858 B6R0.5 C[Si](C)(C)CCN MCULE-8743826240 [0,1,0,0,0,0|2,1,0]=4 1859 B6R0.5 NCCC(F)(F)Br MCULE-4079570759 [0,1,0,0,0,0|2,0,1]=4 1860 B6R0.5 NCCC(F)(F)Br MCULE-9322459845 [0,1,0,0,0,0|2,0,1]=4 1861 B6R0.5 NCCC(F)(F)F MCULE-6582303684 [0,1,0,0,0,0|2,0,1]=4 1862 B6R0.5 NCCC(F)(F)F MCULE-7844083289 [0,1,0,0,0,0|2,0,1]=4 1863 B6R0.5 NCCP(=O)(O)O MCULE-6030069631 [0,1,0,0,0,0|1,0,0]=2 1864 B6R0.5 NCCP(=O)(O)O MCULE-7710471805 [0,1,0,0,0,0|1,0,0]=2 1865 B6R0.5 NCCS(=O)(=O)F MCULE-5644302660 [0,1,0,0,0,0|1,0,1]=3 1866 B6R0.5 NCCS(=O)(=O)F MCULE-7750343881 [0,1,0,0,0,0|1,0,1]=3 1867 B6R0.5 NCCS(=O)(=O)N MCULE-1115068779 [0,1,0,0,0,0|1,0,1]=3 1868 B6R0.5 NCCS(=O)(=O)N MCULE-2765806178 [0,1,0,0,0,0|1,0,1]=3 1869 B6R0.5 NCCS(=O)(=O)O MCULE-6041857208 [0,1,0,0,0,0|1,0,0]=2 1870 B6R0.5 NCCS(=O)(=O)[O-] MCULE-8550332525 [0,1,0,0,0,0|1,0,1]=3 1871 B6R0.5 NS(=O)(=O)CCO MCULE-2612328809 [0,1,0,0,0,0|2,0,1]=4 1872 B6R0.5 O=CCS(=O)(=O)O MCULE-1262210475 [0,1,0,0,0,0|2,0,1]=4 1873 B6R0.5 O=P(O)(O)CCBr MCULE-3355549967 [0,1,0,0,0,0|2,0,0]=3 1874 B6R0.5 O=P(O)(O)CCCl MCULE-4131416773 [0,1,0,0,0,0|2,0,0]=3 1875 B6R0.5 O=P(O)(O)CCO MCULE-9752100956 [0,1,0,0,0,0|2,0,0]=3 1876 B6R0.5 O=S(=O)(Cl)CCBr MCULE-6013397779 [0,1,0,0,0,0|2,0,1]=4 1877 B6R0.5 O=S(=O)(Cl)CCCl MCULE-3218421200 [0,1,0,0,0,0|2,0,1]=4 1878 B6R0.5 O=S(=O)(Cl)CCF MCULE-1453516853 [0,1,0,0,0,0|2,0,1]=4 1879 B6R0.5 O=S(=O)(Cl)CCO MCULE-8335645741 [0,1,0,0,0,0|2,0,1]=4 1880 B6R0.5 O=S(=O)(F)CCCl MCULE-2316584071 [0,1,0,0,0,0|2,0,1]=4 1881 B6R0.5 O=S(=O)(F)CCO MCULE-5940944774 [0,1,0,0,0,0|2,0,1]=4 1882 B6R0.5 O=S(=O)(O)CCBr MCULE-3291252302 [0,1,0,0,0,0|2,0,0]=3 1883 B6R0.5 O=S(=O)(O)CCCl MCULE-9043359543 [0,1,0,0,0,0|2,0,0]=3 1884 B6R0.5 O=S(=O)(O)CCO MCULE-8075949368 [0,1,0,0,0,0|2,0,0]=3 1885 B6R0.5 O=S(=O)(O)CCS MCULE-1073050356 [0,1,0,0,0,0|2,0,0]=3 1886 B6R0.5 O=S(=O)([O-])CCBr MCULE-1501139927 [0,1,0,0,0,0|2,0,1]=4 1887 B6R0.5 O=S(=O)([O-])CCCl MCULE-1021847094 [0,1,0,0,0,0|2,0,1]=4 1888 B6R0.5 O=S(=O)([O-])CCO MCULE-2371191982 [0,1,0,0,0,0|2,0,1]=4 1889 B6R0.5 O=S(=O)([O-])CCO MCULE-5592842641 [0,1,0,0,0,0|2,0,1]=4 1890 B6R0.5 O=S(=O)([O-])CCO MCULE-7262663037 [0,1,0,0,0,0|2,0,1]=4 1891 B6R0.5 O=S(=O)([O-])CCS MCULE-7089816613 [0,1,0,0,0,0|2,0,1]=4 1892 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [0,0,0,1,0,0|3,0,0]=4 1893 B6R1.2 BrC1=COCC1 MCULE-8057569313 [0,0,0,1,0,0|3,0,0]=4 1894 B6R1.2 BrC1CCNC1 MCULE-4841543716 [0,0,0,1,0,0|2,0,1]=4 1895 B6R1.2 BrC1CCNC1 MCULE-4954951045 [0,0,0,1,0,0|2,0,1]=4 1896 B6R1.2 BrC1CCNC1 MCULE-7176123276 [0,0,0,1,0,0|2,0,1]=4 1897 B6R1.2 Br[C@@H]1CCNC1 MCULE-1681494552 [0,0,0,1,0,0|2,0,1]=4 1898 B6R1.2 Br[C@@H]1CCNC1 MCULE-1764777534 [0,0,0,1,0,0|2,0,1]=4 1899 B6R1.2 Br[C@@H]1CCNC1 MCULE-2455801012 [0,0,0,1,0,0|2,0,1]=4 1900 B6R1.2 Br[C@@H]1CCNC1 MCULE-8945784733 [0,0,0,1,0,0|2,0,1]=4 1901 B6R1.2 Br[C@H]1CCNC1 MCULE-5014033994 [0,0,0,1,0,0|2,0,1]=4 1902 B6R1.2 Br[C@H]1CCNC1 MCULE-5217617272 [0,0,0,1,0,0|2,0,1]=4 1903 B6R1.2 Br[C@H]1CCNC1 MCULE-8899453530 [0,0,0,1,0,0|2,0,1]=4 1904 B6R1.2 Br[C@H]1CCNC1 MCULE-9461718131 [0,0,0,1,0,0|2,0,1]=4 1905 B6R1.2 C1(CCNC1)C MCULE-2542646403 [0,0,0,1,0,0|2,0,1]=4 1906 B6R1.2 C1(CCNC1)C MCULE-4538835016 [0,0,0,1,0,0|2,0,1]=4 1907 B6R1.2 C1(CCNC1)F MCULE-2259566125 [0,0,0,1,0,0|2,0,1]=4 1908 B6R1.2 C1(CCNC1)F MCULE-3325393466 [0,0,0,1,0,0|2,0,1]=4 1909 B6R1.2 C1(CCNC1)O MCULE-2676539647 [0,0,0,1,0,0|1,0,1]=3 1910 B6R1.2 C1(CCNC1)O MCULE-4228466615 [0,0,0,1,0,0|1,0,1]=3 1911 B6R1.2 C1(CCOC1)O MCULE-3631749536 [0,0,0,1,0,0|2,0,1]=4 1912 B6R1.2 C=C1CCCC1 MCULE-4115373196 [0,0,0,1,0,0|3,0,0]=4 1913 B6R1.2 C=C1CCNC1 MCULE-7982953073 [0,0,0,1,0,0|2,0,0]=3 1914 B6R1.2 C=C1CCNC1 MCULE-8428731599 [0,0,0,1,0,0|2,0,0]=3 1915 B6R1.2 C=C1CCSC1 MCULE-7042571473 [0,0,0,1,0,0|3,0,0]=4 1916 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,0,0,1,0,0|3,0,0]=4 1917 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,1,0,0|2,0,1]=4 1918 B6R1.2 CC1=CCNC1 MCULE-5892113847 [0,0,0,1,0,0|2,0,1]=4 1919 B6R1.2 CC1=CCNC1 MCULE-9225220351 [0,0,0,1,0,0|2,0,1]=4 1920 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,0,0,1,0,0|3,0,0]=4 1921 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,0,0,1,0,0|3,0,0]=4 1922 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,0,0,1,0,0|2,0,0]=3 1923 B6R1.2 CC1CCCO1 MCULE-2526138687 [0,0,0,1,0,0|2,0,1]=4 1924 B6R1.2 CC1CCNC1 MCULE-6494098173 [0,0,0,1,0,0|2,0,1]=4 1925 B6R1.2 CC1CCNC1 MCULE-8260364514 [0,0,0,1,0,0|2,0,1]=4 1926 B6R1.2 CN1CCNC1 MCULE-8059197564 [0,0,0,1,0,0|3,0,0]=4 1927 B6R1.2 CN1CCNC1 MCULE-9818601515 [0,0,0,1,0,0|3,0,0]=4 1928 B6R1.2 C[C@@H]1CCNC1 MCULE-5345577321 [0,0,0,1,0,0|2,0,1]=4 1929 B6R1.2 C[C@@H]1CCNC1 MCULE-5749945455 [0,0,0,1,0,0|2,0,1]=4 1930 B6R1.2 C[C@@H]1CCNC1 MCULE-8967606188 [0,0,0,1,0,0|2,0,1]=4 1931 B6R1.2 C[C@@H]1CCNC1 MCULE-8996756392 [0,0,0,1,0,0|2,0,1]=4 1932 B6R1.2 C[C@H]1CCNC1 MCULE-1866792897 [0,0,0,1,0,0|2,0,1]=4 1933 B6R1.2 C[C@H]1CCNC1 MCULE-3817248567 [0,0,0,1,0,0|2,0,1]=4 1934 B6R1.2 C[C@H]1CCNC1 MCULE-7938243226 [0,0,0,1,0,0|2,0,1]=4 1935 B6R1.2 C[C@H]1CCNC1 MCULE-8895875203 [0,0,0,1,0,0|2,0,1]=4 1936 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [0,0,0,1,0,0|3,0,0]=4 1937 B6R1.2 ClC1CCNC1 MCULE-5659561118 [0,0,0,1,0,0|2,0,1]=4 1938 B6R1.2 ClC1CCNC1 MCULE-6180477494 [0,0,0,1,0,0|2,0,1]=4 1939 B6R1.2 ClC1CCNC1 MCULE-6964859207 [0,0,0,1,0,0|2,0,1]=4 1940 B6R1.2 ClC1CCNC1 MCULE-8389509440 [0,0,0,1,0,0|2,0,1]=4 1941 B6R1.2 Cl[C@@H]1CCNC1 MCULE-3218152098 [0,0,0,1,0,0|2,0,1]=4 1942 B6R1.2 Cl[C@@H]1CCNC1 MCULE-6728755007 [0,0,0,1,0,0|2,0,1]=4 1943 B6R1.2 Cl[C@@H]1CCNC1 MCULE-7223308304 [0,0,0,1,0,0|2,0,1]=4 1944 B6R1.2 Cl[C@@H]1CCNC1 MCULE-9699335522 [0,0,0,1,0,0|2,0,1]=4 1945 B6R1.2 Cl[C@H]1CCNC1 MCULE-1696981588 [0,0,0,1,0,0|2,0,1]=4 1946 B6R1.2 Cl[C@H]1CCNC1 MCULE-4535592624 [0,0,0,1,0,0|2,0,1]=4 1947 B6R1.2 Cl[C@H]1CCNC1 MCULE-4850151938 [0,0,0,1,0,0|2,0,1]=4 1948 B6R1.2 Cl[C@H]1CCNC1 MCULE-8947782807 [0,0,0,1,0,0|2,0,1]=4 1949 B6R1.2 FC1CCNC1 MCULE-3601135445 [0,0,0,1,0,0|2,0,1]=4 1950 B6R1.2 FC1CCNC1 MCULE-8578750940 [0,0,0,1,0,0|2,0,1]=4 1951 B6R1.2 F[C@@H]1CCNC1 MCULE-4408739710 [0,0,0,1,0,0|2,0,1]=4 1952 B6R1.2 F[C@@H]1CCNC1 MCULE-5678498844 [0,0,0,1,0,0|2,0,1]=4 1953 B6R1.2 F[C@@H]1CCNC1 MCULE-5679054116 [0,0,0,1,0,0|2,0,1]=4 1954 B6R1.2 F[C@@H]1CCNC1 MCULE-7029204180 [0,0,0,1,0,0|2,0,1]=4 1955 B6R1.2 F[C@H]1CCNC1 MCULE-2854402872 [0,0,0,1,0,0|2,0,1]=4 1956 B6R1.2 F[C@H]1CCNC1 MCULE-4493640982 [0,0,0,1,0,0|2,0,1]=4 1957 B6R1.2 F[C@H]1CCNC1 MCULE-7441383471 [0,0,0,1,0,0|2,0,1]=4 1958 B6R1.2 F[C@H]1CCNC1 MCULE-7946601643 [0,0,0,1,0,0|2,0,1]=4 1959 B6R1.2 IC1=CCCC1 MCULE-5953451970 [0,0,0,1,0,0|3,0,0]=4 1960 B6R1.2 IC1=COCC1 MCULE-3076361502 [0,0,0,1,0,0|3,0,0]=4 1961 B6R1.2 IC1CCNC1 MCULE-3058541551 [0,0,0,1,0,0|2,0,1]=4 1962 B6R1.2 IC1CCNC1 MCULE-5326267139 [0,0,0,1,0,0|2,0,1]=4 1963 B6R1.2 I[C@@H]1CCNC1 MCULE-3800433724 [0,0,0,1,0,0|2,0,1]=4 1964 B6R1.2 I[C@@H]1CCNC1 MCULE-3857825133 [0,0,0,1,0,0|2,0,1]=4 1965 B6R1.2 I[C@@H]1CCNC1 MCULE-7781267462 [0,0,0,1,0,0|2,0,1]=4 1966 B6R1.2 I[C@@H]1CCNC1 MCULE-7979843810 [0,0,0,1,0,0|2,0,1]=4 1967 B6R1.2 I[C@H]1CCNC1 MCULE-1218289403 [0,0,0,1,0,0|2,0,1]=4 1968 B6R1.2 I[C@H]1CCNC1 MCULE-7469922084 [0,0,0,1,0,0|2,0,1]=4 1969 B6R1.2 N=C1CCCS1 MCULE-4228855265 [0,0,0,1,0,0|2,1,0]=4 1970 B6R1.2 N=C1CCCS1 MCULE-7496124035 [0,0,0,1,0,0|2,1,0]=4 1971 B6R1.2 NC1=CCNN1 MCULE-1539779543 [0,0,0,1,0,0|2,0,1]=4 1972 B6R1.2 NC1=CCNN1 MCULE-3460056890 [0,0,0,1,0,0|2,0,1]=4 1973 B6R1.2 NC1=CCNN1 MCULE-5423983278 [0,0,0,1,0,0|2,0,1]=4 1974 B6R1.2 NC1=NCCC1 MCULE-6089369366 [0,0,0,1,0,0|3,0,0]=4 1975 B6R1.2 NC1=NCCC1 MCULE-8979618464 [0,0,0,1,0,0|3,0,0]=4 1976 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,0,0,1,0,0|3,0,0]=4 1977 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,0,0,1,0,0|3,0,0]=4 1978 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,0,0,1,0,0|2,0,0]=3 1979 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,0,0,1,0,0|3,0,0]=4 1980 B6R1.2 NC1CCNC1 MCULE-2237528072 [0,0,0,1,0,0|2,0,1]=4 1981 B6R1.2 NC1CCNC1 MCULE-5167920547 [0,0,0,1,0,0|2,0,1]=4 1982 B6R1.2 NC1CCNC1 MCULE-5837785719 [0,0,0,1,0,0|2,0,1]=4 1983 B6R1.2 N[C@@H]1CCNC1 MCULE-6043697974 [0,0,0,1,0,0|2,0,1]=4 1984 B6R1.2 N[C@@H]1CCNC1 MCULE-8912264932 [0,0,0,1,0,0|2,0,1]=4 1985 B6R1.2 N[C@@H]1CCNC1 MCULE-9183647019 [0,0,0,1,0,0|2,0,1]=4 1986 B6R1.2 N[C@@H]1CCNC1 MCULE-9608760183 [0,0,0,1,0,0|2,0,1]=4 1987 B6R1.2 N[C@H]1CCNC1 MCULE-3573455998 [0,0,0,1,0,0|2,0,1]=4 1988 B6R1.2 N[C@H]1CCNC1 MCULE-3988158945 [0,0,0,1,0,0|2,0,1]=4 1989 B6R1.2 N[C@H]1CCNC1 MCULE-4526890579 [0,0,0,1,0,0|2,0,1]=4 1990 B6R1.2 N[C@H]1CCNC1 MCULE-8548728927 [0,0,0,1,0,0|2,0,1]=4 1991 B6R1.2 O=C1C=CCC1 MCULE-1844779047 [0,0,0,1,0,0|2,0,0]=3 1992 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,0,0,1,0,0|3,0,0]=4 1993 B6R1.2 O=C1C=CCO1 MCULE-4296503663 [0,0,0,1,0,0|1,0,2]=4 1994 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [0,0,0,1,0,0|3,0,0]=4 1995 B6R1.2 O=C1C=CNN1 MCULE-8045056316 [0,0,0,1,0,0|1,0,2]=4 1996 B6R1.2 O=C1C=CSC1 MCULE-6580304664 [0,0,0,1,0,0|3,0,0]=4 1997 B6R1.2 O=C1CC=CC1 MCULE-7606670114 [0,0,0,1,0,0|2,0,1]=4 1998 B6R1.2 O=C1CC=NN1 MCULE-1672455504 [0,0,0,1,0,0|1,0,2]=4 1999 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,0,0,1,0,0|2,0,0]=3 2000 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,0,0,1,0,0|2,0,0]=3 2001 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,1,0,0|1,0,0]=2 2002 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,0,0,1,0,0|1,1,0]=3 2003 B6R1.2 O=C1CCNC1 MCULE-2947789259 [0,0,0,1,0,0|1,0,0]=2 2004 B6R1.2 O=C1CCNC1 MCULE-7192595052 [0,0,0,1,0,0|1,0,0]=2 2005 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,0,0,1,0,0|1,0,0]=2 2006 B6R1.2 O=C1CCOC1 MCULE-2031733910 [0,0,0,1,0,0|2,0,0]=3 2007 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,1,0,0|2,0,0]=3 2008 B6R1.2 O=C1CCSC1 MCULE-2059655624 [0,0,0,1,0,0|2,0,0]=3 2009 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,0,0,1,0,0|1,0,1]=3 2010 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,0,0,1,0,0|2,0,0]=3 2011 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,0,0,1,0,0|2,0,0]=3 2012 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,0,0,1,0,0|3,0,0]=4 2013 B6R1.2 O=C1NC=CO1 MCULE-4371023805 [0,0,0,1,0,0|2,0,1]=4 2014 B6R1.2 O=C1NCCN1 MCULE-9806791551 [0,0,0,1,0,0|3,0,0]=4 2015 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,0,0,1,0,0|2,0,0]=3 2016 B6R1.2 O=C1NCCS1 MCULE-6732478086 [0,0,0,1,0,0|2,1,0]=4 2017 B6R1.2 O=C1OC=CO1 MCULE-1924277704 [0,0,0,1,0,0|2,0,1]=4 2018 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,0,0,1,0,0|2,0,0]=3 2019 B6R1.2 O=S1CCCC1 MCULE-2442126780 [0,0,0,1,0,0|3,0,0]=4 2020 B6R1.2 O=S1OCCO1 MCULE-5773173321 [0,0,0,1,0,0|3,0,0]=4 2021 B6R1.2 OC1=CNC=C1 MCULE-3938204755 [0,0,0,1,0,0|1,0,2]=4 2022 B6R1.2 OC1=CNC=N1 MCULE-1911765165 [0,0,0,1,0,0|2,0,1]=4 2023 B6R1.2 OC1=CNN=C1 MCULE-5672706063 [0,0,0,1,0,0|2,0,1]=4 2024 B6R1.2 OC1=CNN=C1 MCULE-5774317326 [0,0,0,1,0,0|2,0,1]=4 2025 B6R1.2 OC1C=CCC1 MCULE-3857764876 [0,0,0,1,0,0|2,0,1]=4 2026 B6R1.2 OC1CCCC1 MCULE-1758440264 [0,0,0,1,0,0|2,0,1]=4 2027 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,0,0,1,0,0|2,0,1]=4 2028 B6R1.2 OC1CCCO1 MCULE-9632627344 [0,0,0,1,0,0|1,0,2]=4 2029 B6R1.2 OC1CCNC1 MCULE-4307402606 [0,0,0,1,0,0|1,0,1]=3 2030 B6R1.2 OC1CCNC1 MCULE-6745480350 [0,0,0,1,0,0|1,0,1]=3 2031 B6R1.2 OC1CCOC1 MCULE-4469581028 [0,0,0,1,0,0|2,0,1]=4 2032 B6R1.2 OC1CCSC1 MCULE-9796808599 [0,0,0,1,0,0|2,0,1]=4 2033 B6R1.2 OC1CNOC1 MCULE-3414700581 [0,0,0,1,0,0|2,0,1]=4 2034 B6R1.2 OC1CNOC1 MCULE-8163403090 [0,0,0,1,0,0|2,0,1]=4 2035 B6R1.2 OC1CNOC1 MCULE-8644852072 [0,0,0,1,0,0|2,0,1]=4 2036 B6R1.2 O[C@@H]1CCNC1 MCULE-8116497337 [0,0,0,1,0,0|1,0,1]=3 2037 B6R1.2 O[C@@H]1CCNC1 MCULE-8578068948 [0,0,0,1,0,0|1,0,1]=3 2038 B6R1.2 O[C@@H]1CCNC1 MCULE-9094582248 [0,0,0,1,0,0|1,0,1]=3 2039 B6R1.2 O[C@@H]1CCNC1 MCULE-9933593352 [0,0,0,1,0,0|1,0,1]=3 2040 B6R1.2 O[C@@H]1CCOC1 MCULE-7739141732 [0,0,0,1,0,0|2,0,1]=4 2041 B6R1.2 O[C@@H]1CCOC1 MCULE-8344812226 [0,0,0,1,0,0|2,0,1]=4 2042 B6R1.2 O[C@@H]1CCOC1 MCULE-9098074990 [0,0,0,1,0,0|2,0,1]=4 2043 B6R1.2 O[C@@H]1CCSC1 MCULE-3532754705 [0,0,0,1,0,0|2,0,1]=4 2044 B6R1.2 O[C@@H]1CCSC1 MCULE-5800407146 [0,0,0,1,0,0|2,0,1]=4 2045 B6R1.2 O[C@@H]1CNOC1 MCULE-1481945185 [0,0,0,1,0,0|2,0,1]=4 2046 B6R1.2 O[C@@H]1CNOC1 MCULE-4156521353 [0,0,0,1,0,0|2,0,1]=4 2047 B6R1.2 O[C@@H]1CNOC1 MCULE-5692816168 [0,0,0,1,0,0|2,0,1]=4 2048 B6R1.2 O[C@@H]1CNOC1 MCULE-6838604903 [0,0,0,1,0,0|2,0,1]=4 2049 B6R1.2 O[C@H]1CCNC1 MCULE-1100098088 [0,0,0,1,0,0|1,0,1]=3 2050 B6R1.2 O[C@H]1CCNC1 MCULE-3493644065 [0,0,0,1,0,0|1,0,1]=3 2051 B6R1.2 O[C@H]1CCNC1 MCULE-3778918259 [0,0,0,1,0,0|1,0,1]=3 2052 B6R1.2 O[C@H]1CCNC1 MCULE-4680162054 [0,0,0,1,0,0|1,0,1]=3 2053 B6R1.2 O[C@H]1CCOC1 MCULE-8518846297 [0,0,0,1,0,0|2,0,1]=4 2054 B6R1.2 O[C@H]1CCOC1 MCULE-9544747995 [0,0,0,1,0,0|2,0,1]=4 2055 B6R1.2 O[C@H]1CNOC1 MCULE-1746817114 [0,0,0,1,0,0|2,0,1]=4 2056 B6R1.2 O[C@H]1CNOC1 MCULE-4469396812 [0,0,0,1,0,0|2,0,1]=4 2057 B6R1.2 O[C@H]1CNOC1 MCULE-7167785164 [0,0,0,1,0,0|2,0,1]=4 2058 B6R1.2 O[C@H]1CNOC1 MCULE-8409877332 [0,0,0,1,0,0|2,0,1]=4 2059 B6R1.2 P1(=O)OCCO1 MCULE-3753821837 [0,0,0,1,0,0|3,0,0]=4 2060 B6R1.2 S=C1CCCN1 MCULE-1089290822 [0,0,0,1,0,0|2,1,0]=4 2061 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,0,0,1,0,0|2,1,0]=4 2062 B6R1.3 BrCCC1CO1 MCULE-9889314000 [0,0,0,1,0,0|2,0,1]=4 2063 B6R1.3 BrCC[C@@H]1CO1 MCULE-7015242723 [0,0,0,1,0,0|2,0,1]=4 2064 B6R1.3 BrCC[C@H]1CO1 MCULE-3286755305 [0,0,0,1,0,0|2,0,1]=4 2065 B6R1.3 BrCC[C@H]1CO1 MCULE-3512143037 [0,0,0,1,0,0|2,0,1]=4 2066 B6R1.3 CCCC1CO1 MCULE-5080039224 [0,0,0,1,0,0|2,0,1]=4 2067 B6R1.3 CCC[C@@H]1CO1 MCULE-1815222100 [0,0,0,1,0,0|2,0,1]=4 2068 B6R1.3 CCC[C@H]1CO1 MCULE-9952368131 [0,0,0,1,0,0|2,0,1]=4 2069 B6R1.3 ClCCC1CO1 MCULE-2772510260 [0,0,0,1,0,0|2,0,1]=4 2070 B6R1.3 NCCC1CC1 MCULE-8459735325 [0,0,0,1,0,0|2,0,1]=4 2071 B6R1.3 NCCC1CC1 MCULE-9646218986 [0,0,0,1,0,0|2,0,1]=4 2072 B6R1.3 NCCN1CC1 MCULE-3554584147 [0,0,0,1,0,0|3,0,0]=4 2073 B6R1.3 OCCC1CO1 MCULE-6523000607 [0,0,0,1,0,0|2,0,1]=4 2074 B6R1.3 OCC[C@@H]1CO1 MCULE-4797533590 [0,0,0,1,0,0|2,0,1]=4 2075 B6R1.3 OCC[C@@H]1CO1 MCULE-6833850805 [0,0,0,1,0,0|2,0,1]=4 2076 B6R1.3 OCC[C@H]1CO1 MCULE-3560802495 [0,0,0,1,0,0|2,0,1]=4 2077 B6R1.3 OCC[C@H]1CO1 MCULE-8738926598 [0,0,0,1,0,0|2,0,1]=4 2078 B6R1.5 C=C1CC(=O)O1 MCULE-7149487095 [0,0,0,1,0,0|1,0,1]=3 2079 B6R1.5 C=C1CC(C1)N MCULE-4635717695 [0,0,0,1,0,0|2,0,0]=3 2080 B6R1.5 C=C1CC(C1)N MCULE-6992894696 [0,0,0,1,0,0|2,0,0]=3 2081 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,0,0,1,0,0|2,0,0]=3 2082 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,0,0,1,0,0|2,0,0]=3 2083 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,0,0,1,0,0|1,0,0]=2 2084 B6R1.5 CC1CC(C1)N MCULE-5323299846 [0,0,0,1,0,0|2,0,1]=4 2085 B6R1.5 CC1CC(C1)N MCULE-9940885824 [0,0,0,1,0,0|2,0,1]=4 2086 B6R1.5 CC1CC(C1)O MCULE-8612661286 [0,0,0,1,0,0|2,0,1]=4 2087 B6R1.5 CN1CC(=O)C1 MCULE-1685267969 [0,0,0,1,0,0|3,0,0]=4 2088 B6R1.5 CN1CC(=O)C1 MCULE-2242594777 [0,0,0,1,0,0|3,0,0]=4 2089 B6R1.5 CN1CC(C1)N MCULE-2180239206 [0,0,0,1,0,0|3,0,0]=4 2090 B6R1.5 CN1CC(C1)N MCULE-4181047352 [0,0,0,1,0,0|3,0,0]=4 2091 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,0,0,1,0,0|1,0,0]=2 2092 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-1535311916 [0,0,0,1,0,0|2,0,1]=4 2093 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-2831484375 [0,0,0,1,0,0|2,0,1]=4 2094 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-7323273959 [0,0,0,1,0,0|2,0,1]=4 2095 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-9517005721 [0,0,0,1,0,0|2,0,1]=4 2096 B6R1.5 C[C@H]1C[C@H](C1)O MCULE-9757332081 [0,0,0,1,0,0|2,0,1]=4 2097 B6R1.5 NC1CC(=O)C1 MCULE-3450860282 [0,0,0,1,0,0|1,0,0]=2 2098 B6R1.5 NC1CC(=O)C1 MCULE-5974961836 [0,0,0,1,0,0|1,0,0]=2 2099 B6R1.5 NC1CC(C1)Br MCULE-1024702653 [0,0,0,1,0,0|2,0,1]=4 2100 B6R1.5 NC1CC(C1)Br MCULE-6956910745 [0,0,0,1,0,0|2,0,1]=4 2101 B6R1.5 NC1CC(C1)Cl MCULE-2079032271 [0,0,0,1,0,0|2,0,1]=4 2102 B6R1.5 NC1CC(C1)Cl MCULE-9907911910 [0,0,0,1,0,0|2,0,1]=4 2103 B6R1.5 NC1CC(C1)F MCULE-8668562856 [0,0,0,1,0,0|2,0,1]=4 2104 B6R1.5 NC1CC(C1)F MCULE-9413732351 [0,0,0,1,0,0|2,0,1]=4 2105 B6R1.5 NC1CC(C1)N MCULE-2499828215 [0,0,0,1,0,0|2,0,1]=4 2106 B6R1.5 NC1CC(C1)N MCULE-9585725038 [0,0,0,1,0,0|2,0,1]=4 2107 B6R1.5 NC1CC(C1)O MCULE-3800806511 [0,0,0,1,0,0|1,0,1]=3 2108 B6R1.5 NC1CC(C1)O MCULE-4101412744 [0,0,0,1,0,0|1,0,1]=3 2109 B6R1.5 NN1CC(C1)O MCULE-1883589988 [0,0,0,1,0,0|2,0,1]=4 2110 B6R1.5 NN1CC(C1)O MCULE-4736517920 [0,0,0,1,0,0|2,0,1]=4 2111 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-2563959776 [0,0,0,1,0,0|2,0,1]=4 2112 B6R1.5 N[C@H]1C[C@@H](C1)Br MCULE-4159438704 [0,0,0,1,0,0|2,0,1]=4 2113 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-1693657713 [0,0,0,1,0,0|2,0,1]=4 2114 B6R1.5 N[C@H]1C[C@@H](C1)F MCULE-2842964955 [0,0,0,1,0,0|2,0,1]=4 2115 B6R1.5 N[C@H]1C[C@@H](C1)N MCULE-7371432215 [0,0,0,1,0,0|2,0,1]=4 2116 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-3690359453 [0,0,0,1,0,0|1,0,1]=3 2117 B6R1.5 N[C@H]1C[C@@H](C1)O MCULE-6031478808 [0,0,0,1,0,0|1,0,1]=3 2118 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-7248556800 [0,0,0,1,0,0|2,0,1]=4 2119 B6R1.5 N[C@H]1C[C@H](C1)F MCULE-8169894230 [0,0,0,1,0,0|2,0,1]=4 2120 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-2358029728 [0,0,0,1,0,0|2,0,1]=4 2121 B6R1.5 N[C@H]1C[C@H](C1)N MCULE-8703864989 [0,0,0,1,0,0|2,0,1]=4 2122 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2367486822 [0,0,0,1,0,0|1,0,1]=3 2123 B6R1.5 N[C@H]1C[C@H](C1)O MCULE-2477923057 [0,0,0,1,0,0|1,0,1]=3 2124 B6R1.5 O=C1CC(C1)Br MCULE-1715982282 [0,0,0,1,0,0|2,0,0]=3 2125 B6R1.5 O=C1CC(C1)F MCULE-2541516698 [0,0,0,1,0,0|2,0,0]=3 2126 B6R1.5 O=C1CC(C1)O MCULE-7099112258 [0,0,0,1,0,0|2,0,0]=3 2127 B6R1.5 OC1CC(C1)Br MCULE-8550195809 [0,0,0,1,0,0|2,0,1]=4 2128 B6R1.5 OC1CC(C1)F MCULE-7130501241 [0,0,0,1,0,0|2,0,1]=4 2129 B6R1.5 OC1CC(C1)O MCULE-4391504671 [0,0,0,1,0,0|2,0,1]=4 2130 B6R1.5 O[C@H]1C[C@@H](C1)F MCULE-8960643165 [0,0,0,1,0,0|2,0,1]=4 2131 B6R1.5 O[C@H]1C[C@@H](C1)O MCULE-5524471729 [0,0,0,1,0,0|2,0,1]=4 2132 B6R1.5 O[C@H]1C[C@H](C1)O MCULE-7725166436 [0,0,0,1,0,0|2,0,1]=4 2133 B6R1.5 [C@@H]1(C[C@@H](C1)N)N MCULE-6268630823 [0,0,0,1,0,0|2,0,1]=4 2134 B6R1.5 [C@@H]1(C[C@H](C1)F)O MCULE-5214761916 [0,0,0,1,0,0|2,0,1]=4 2135 B6R1.8 C=C1CC1CO MCULE-4338601055 [0,0,0,1,0,0|3,0,0]=4 2136 B6R1.8 CC1CC1CN MCULE-2810102174 [0,0,0,1,0,0|2,0,1]=4 2137 B6R1.8 CC1CC1CN MCULE-7518062300 [0,0,0,1,0,0|2,0,1]=4 2138 B6R1.8 CC1OC1CBr MCULE-3133107383 [0,0,0,1,0,0|2,0,1]=4 2139 B6R1.8 CC1OC1CO MCULE-1680425960 [0,0,0,1,0,0|2,0,1]=4 2140 B6R1.8 C[C@@H]1C[C@@H]1CN MCULE-5971817939 [0,0,0,1,0,0|2,0,1]=4 2141 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3418148363 [0,0,0,1,0,0|2,0,1]=4 2142 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3519756910 [0,0,0,1,0,0|2,0,1]=4 2143 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-3649923384 [0,0,0,1,0,0|2,0,1]=4 2144 B6R1.8 C[C@@H]1C[C@H]1CN MCULE-8330237030 [0,0,0,1,0,0|2,0,1]=4 2145 B6R1.8 C[C@H]1C[C@@H]1CN MCULE-9856477951 [0,0,0,1,0,0|2,0,1]=4 2146 B6R1.8 C[C@H]1C[C@H]1CN MCULE-4949172422 [0,0,0,1,0,0|2,0,1]=4 2147 B6R1.8 NCC1CC1N MCULE-4864283129 [0,0,0,1,0,0|2,0,1]=4 2148 B6R1.8 NCC1CC1N MCULE-7029010792 [0,0,0,1,0,0|2,0,1]=4 2149 B6R1.9 CC1(CC1N)C MCULE-3767513819 [0,0,0,1,0,0|2,0,1]=4 2150 B6R1.9 CC1(CC1N)C MCULE-9259559793 [0,0,0,1,0,0|2,0,1]=4 2151 B6R1.9 CC1(C[C@@H]1N)C MCULE-8232974349 [0,0,0,1,0,0|2,0,1]=4 2152 B6R1.9 CC1(C[C@@H]1N)C MCULE-9299327749 [0,0,0,1,0,0|2,0,1]=4 2153 B6R1.9 CC1(C[C@H]1N)C MCULE-2015844172 [0,0,0,1,0,0|2,0,1]=4 2154 B6R1.9 CC1(C[C@H]1N)C MCULE-8301129744 [0,0,0,1,0,0|2,0,1]=4 2155 B6R1.9 NC1CC1(F)F MCULE-2003011750 [0,0,0,1,0,0|2,0,1]=4 2156 B6R1.9 NC1CC1(F)F MCULE-7089924421 [0,0,0,1,0,0|2,0,1]=4 2157 B6R1.9 NC1CC1(F)F MCULE-7356261907 [0,0,0,1,0,0|2,0,1]=4 2158 B6R1.9 NC1CC1(F)F MCULE-9011855744 [0,0,0,1,0,0|2,0,1]=4 2159 B6R1.9 N[C@@H]1CC1(F)F MCULE-1053742798 [0,0,0,1,0,0|2,0,1]=4 2160 B6R1.9 N[C@@H]1CC1(F)F MCULE-9077998884 [0,0,0,1,0,0|2,0,1]=4 2161 B6R1.9 N[C@H]1CC1(F)F MCULE-5518291494 [0,0,0,1,0,0|2,0,1]=4 2162 B6R1.9 N[C@H]1CC1(F)F MCULE-8293867852 [0,0,0,1,0,0|2,0,1]=4 2163 B6R1.10 CC1(CCC1)O MCULE-4021675717 [0,0,0,1,0,0|2,0,1]=4 2164 B6R1.10 CC1(CCN1)C MCULE-2285435720 [0,0,0,1,0,0|2,0,1]=4 2165 B6R1.10 CC1(CCN1)C MCULE-3069932253 [0,0,0,1,0,0|2,0,1]=4 2166 B6R1.10 N=S1(=O)CCC1 MCULE-7690864417 [0,0,0,1,0,0|3,0,0]=4 2167 B6R1.10 O=S1(=O)CCC1 MCULE-7796411172 [0,0,0,1,0,0|2,0,1]=4 2168 B6R1.10 O=S1(=O)CCN1 MCULE-8786764000 [0,0,0,1,0,0|1,0,1]=3 2169 B6R1.11 C=C(C)C1CO1 MCULE-3656533343 [0,0,0,1,0,0|3,0,0]=4 2170 B6R1.11 C=C(Cl)C1CO1 MCULE-5190310903 [0,0,0,1,0,0|3,0,0]=4 2171 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,0,0,1,0,0|2,0,0]=3 2172 B6R1.11 CC(=O)C1CO1 MCULE-4329154079 [0,0,0,1,0,0|2,0,0]=3 2173 B6R1.11 CC(O)C1CC1 MCULE-8628810684 [0,0,0,1,0,0|2,0,1]=4 2174 B6R1.11 CC(O)C1CO1 MCULE-2044990126 [0,0,0,1,0,0|2,0,1]=4 2175 B6R1.11 C[C@@H](O)C1CC1 MCULE-8359847821 [0,0,0,1,0,0|2,0,1]=4 2176 B6R1.11 C[C@H](O)C1CC1 MCULE-2458075152 [0,0,0,1,0,0|2,0,1]=4 2177 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [0,0,0,1,0,0|3,0,0]=4 2178 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [0,0,0,1,0,0|3,0,0]=4 2179 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,0,0,1,0,0|2,0,0]=3 2180 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,0,0,1,0,0|2,0,0]=3 2181 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [0,0,0,1,0,0|2,1,0]=4 2182 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [0,0,0,1,0,0|2,0,0]=3 2183 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,0,0,1,0,0|1,0,0]=2 2184 B6R1.11 O=C(O)C1CN1 MCULE-3236125597 [0,0,0,1,0,0|0,0,0]=1 2185 B6R1.11 O=C(O)C1CO1 MCULE-2152916793 [0,0,0,1,0,0|1,0,0]=2 2186 B6R1.11 O=C(O)[C@@H]1CN1 MCULE-4363753412 [0,0,0,1,0,0|0,0,0]=1 2187 B6R1.11 O=C(O)[C@H]1CN1 MCULE-4830347195 [0,0,0,1,0,0|0,0,0]=1 2188 B6R1.11 O=C(O)[C@H]1CO1 MCULE-5204459723 [0,0,0,1,0,0|1,0,0]=2 2189 B6R1.11 O=C(O)[C@H]1CO1 MCULE-6983707093 [0,0,0,1,0,0|1,0,0]=2 2190 B6R1.11 O=C([O-])C1CN1 MCULE-6490437892 [0,0,0,1,0,0|0,0,1]=2 2191 B6R1.11 O=C([O-])C1CO1 MCULE-4586459966 [0,0,0,1,0,0|1,0,1]=3 2192 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1647975669 [0,0,0,1,0,0|1,0,1]=3 2193 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-1906997950 [0,0,0,1,0,0|1,0,1]=3 2194 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-4899800766 [0,0,0,1,0,0|1,0,1]=3 2195 B6R1.11 O=C([O-])[C@@H]1CO1 MCULE-9148170094 [0,0,0,1,0,0|1,0,1]=3 2196 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-6663734494 [0,0,0,1,0,0|1,0,1]=3 2197 B6R1.11 O=C([O-])[C@H]1CO1 MCULE-8580451361 [0,0,0,1,0,0|1,0,1]=3 2198 B6R1.11 O=S(O)C1CC1 MCULE-1616243918 [0,0,0,1,0,0|2,0,0]=3 2199 B6R1.11 O=S([O-])C1CC1 MCULE-9446364072 [0,0,0,1,0,0|2,0,1]=4 2200 B6R1.11 OB(O)C1CC1 MCULE-5364427631 [0,0,0,1,0,0|2,0,1]=4 2201 B3R0.1 BrCCBr MCULE-7586462642 [2,0,0,0,0,0|2,0,0]=4 2202 B3R0.1 BrCCI MCULE-8691237057 [2,0,0,0,0,0|2,0,0]=4 2203 B3R0.1 C#CC=O MCULE-4187736819 [2,0,0,0,0,0|0,0,2]=4 2204 B3R0.1 C#CCC MCULE-8090253856 [2,0,0,0,0,0|1,0,1]=4 2205 B3R0.1 C#CCN MCULE-3201948975 [2,0,0,0,0,0|0,0,2]=4 2206 B3R0.1 C#CCN MCULE-6286515491 [2,0,0,0,0,0|0,0,2]=4 2207 B3R0.1 C#CCO MCULE-3909200923 [2,0,0,0,0,0|1,0,1]=4 2208 B3R0.1 C/B=N/O MCULE-5227399299 [2,0,0,0,0,0|2,0,0]=4 2209 B3R0.1 C/C=C/Br MCULE-4076369660 [2,0,0,0,0,0|1,0,1]=4 2210 B3R0.1 C/C=N/O MCULE-2376410404 [2,0,0,0,0,0|1,0,1]=4 2211 B3R0.1 C=CC=O MCULE-2104890669 [2,0,0,0,0,0|0,0,2]=4 2212 B3R0.1 C=CCBr MCULE-9486454833 [2,0,0,0,0,0|1,0,1]=4 2213 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|1,0,0]=3 2214 B3R0.1 C=CCCl MCULE-4067772785 [2,0,0,0,0,0|1,0,1]=4 2215 B3R0.1 C=CCF MCULE-7783191980 [2,0,0,0,0,0|1,0,1]=4 2216 B3R0.1 C=CCI MCULE-5037698873 [2,0,0,0,0,0|1,0,1]=4 2217 B3R0.1 C=CCN MCULE-2424616806 [2,0,0,0,0,0|0,0,1]=3 2218 B3R0.1 C=CCN MCULE-2473480946 [2,0,0,0,0,0|0,0,1]=3 2219 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|1,0,1]=4 2220 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|1,0,1]=4 2221 B3R0.1 C=COC MCULE-4880746684 [2,0,0,0,0,0|2,0,0]=4 2222 B3R0.1 CC=CBr MCULE-2098755460 [2,0,0,0,0,0|1,0,1]=4 2223 B3R0.1 CC=CCl MCULE-9225887510 [2,0,0,0,0,0|1,0,1]=4 2224 B3R0.1 CC=NO MCULE-9761317381 [2,0,0,0,0,0|1,0,1]=4 2225 B3R0.1 CCC#N MCULE-9484970536 [2,0,0,0,0,0|1,0,1]=4 2226 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|0,0,0]=2 2227 B3R0.1 CCCBr MCULE-2393970713 [2,0,0,0,0,0|1,0,1]=4 2228 B3R0.1 CCCC MCULE-9760497805 [2,0,0,0,0,0|1,0,1]=4 2229 B3R0.1 CCCCl MCULE-3496412829 [2,0,0,0,0,0|1,0,1]=4 2230 B3R0.1 CCCF MCULE-8540338768 [2,0,0,0,0,0|1,0,1]=4 2231 B3R0.1 CCCI MCULE-1721488805 [2,0,0,0,0,0|1,0,1]=4 2232 B3R0.1 CCCN MCULE-2885523792 [2,0,0,0,0,0|0,0,1]=3 2233 B3R0.1 CCCN MCULE-4318907091 [2,0,0,0,0,0|0,0,1]=3 2234 B3R0.1 CCCN MCULE-6330457870 [2,0,0,0,0,0|0,0,1]=3 2235 B3R0.1 CCCN MCULE-7146820007 [2,0,0,0,0,0|0,0,1]=3 2236 B3R0.1 CCCO MCULE-6252105126 [2,0,0,0,0,0|0,0,1]=3 2237 B3R0.1 CCCS MCULE-8267649092 [2,0,0,0,0,0|0,1,1]=4 2238 B3R0.1 CCNC MCULE-7215376398 [2,0,0,0,0,0|2,0,0]=4 2239 B3R0.1 CCNC MCULE-9811899205 [2,0,0,0,0,0|2,0,0]=4 2240 B3R0.1 CCNN MCULE-4753127904 [2,0,0,0,0,0|1,0,1]=4 2241 B3R0.1 CCNN MCULE-7630363192 [2,0,0,0,0,0|1,0,1]=4 2242 B3R0.1 CCNN MCULE-8402230944 [2,0,0,0,0,0|1,0,1]=4 2243 B3R0.1 CCNO MCULE-1215586669 [2,0,0,0,0,0|1,0,0]=3 2244 B3R0.1 CCNO MCULE-7075818857 [2,0,0,0,0,0|1,0,0]=3 2245 B3R0.1 CCON MCULE-5316082054 [2,0,0,0,0,0|1,0,1]=4 2246 B3R0.1 CCON MCULE-6621418839 [2,0,0,0,0,0|1,0,1]=4 2247 B3R0.1 CCO[NH3+] MCULE-7670481464 [2,0,0,0,0,0|2,0,0]=4 2248 B3R0.1 CCO[NH3+] MCULE-7871083232 [2,0,0,0,0,0|2,0,0]=4 2249 B3R0.1 CCSC MCULE-6944750263 [2,0,0,0,0,0|2,0,0]=4 2250 B3R0.1 CN=C=O MCULE-7764606582 [2,0,0,0,0,0|1,0,1]=4 2251 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|1,0,0]=3 2252 B3R0.1 CNC=S MCULE-1018523469 [2,0,0,0,0,0|1,1,0]=4 2253 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|1,0,0]=3 2254 B3R0.1 ClCCBr MCULE-3933774075 [2,0,0,0,0,0|2,0,0]=4 2255 B3R0.1 ClCCCl MCULE-3493741440 [2,0,0,0,0,0|2,0,0]=4 2256 B3R0.1 ClCCI MCULE-7847880962 [2,0,0,0,0,0|2,0,0]=4 2257 B3R0.1 FCCBr MCULE-3117974140 [2,0,0,0,0,0|2,0,0]=4 2258 B3R0.1 FCCCl MCULE-1862981403 [2,0,0,0,0,0|2,0,0]=4 2259 B3R0.1 FCCF MCULE-1975194621 [2,0,0,0,0,0|2,0,0]=4 2260 B3R0.1 FCCI MCULE-3689313503 [2,0,0,0,0,0|2,0,0]=4 2261 B3R0.1 ICCI MCULE-8025471988 [2,0,0,0,0,0|2,0,0]=4 2262 B3R0.1 N#CCN MCULE-6677928349 [2,0,0,0,0,0|1,0,1]=4 2263 B3R0.1 N#CCN MCULE-6699419972 [2,0,0,0,0,0|1,0,1]=4 2264 B3R0.1 N/C=N/O MCULE-9567664507 [2,0,0,0,0,0|1,0,1]=4 2265 B3R0.1 NCCBr MCULE-3401124597 [2,0,0,0,0,0|1,0,0]=3 2266 B3R0.1 NCCBr MCULE-6215378497 [2,0,0,0,0,0|1,0,0]=3 2267 B3R0.1 NCCCl MCULE-1458699843 [2,0,0,0,0,0|1,0,0]=3 2268 B3R0.1 NCCCl MCULE-6944306112 [2,0,0,0,0,0|1,0,0]=3 2269 B3R0.1 NCCF MCULE-1670520169 [2,0,0,0,0,0|1,0,0]=3 2270 B3R0.1 NCCF MCULE-4963351029 [2,0,0,0,0,0|1,0,0]=3 2271 B3R0.1 NCCI MCULE-6905308399 [2,0,0,0,0,0|1,0,0]=3 2272 B3R0.1 NCCI MCULE-7487764362 [2,0,0,0,0,0|1,0,0]=3 2273 B3R0.1 NCCN MCULE-4740333723 [2,0,0,0,0,0|1,0,0]=3 2274 B3R0.1 NCCN MCULE-6795272853 [2,0,0,0,0,0|1,0,0]=3 2275 B3R0.1 NCCN MCULE-8304126024 [2,0,0,0,0,0|1,0,0]=3 2276 B3R0.1 NCCN MCULE-8325612144 [2,0,0,0,0,0|1,0,0]=3 2277 B3R0.1 NCCO MCULE-5175116598 [2,0,0,0,0,0|0,0,0]=2 2278 B3R0.1 NCCO MCULE-8624730373 [2,0,0,0,0,0|0,0,0]=2 2279 B3R0.1 NCCS MCULE-1838427828 [2,0,0,0,0,0|0,1,0]=3 2280 B3R0.1 NCCS MCULE-2418938683 [2,0,0,0,0,0|0,1,0]=3 2281 B3R0.1 NNC=O MCULE-6986968107 [2,0,0,0,0,0|1,0,0]=3 2282 B3R0.1 NOC=O MCULE-4489199776 [2,0,0,0,0,0|1,0,0]=3 2283 B3R0.1 O=CC=O MCULE-3212938778 [2,0,0,0,0,0|1,0,1]=4 2284 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|1,0,0]=3 2285 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|1,0,0]=3 2286 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|1,0,0]=3 2287 B3R0.1 OCCBr MCULE-5097256006 [2,0,0,0,0,0|1,0,0]=3 2288 B3R0.1 OCCCl MCULE-5139580173 [2,0,0,0,0,0|1,0,0]=3 2289 B3R0.1 OCCF MCULE-7590677201 [2,0,0,0,0,0|1,0,0]=3 2290 B3R0.1 OCCI MCULE-8359750387 [2,0,0,0,0,0|1,0,0]=3 2291 B3R0.1 OCCO MCULE-6366313128 [2,0,0,0,0,0|1,0,0]=3 2292 B3R0.1 OCCS MCULE-2252943288 [2,0,0,0,0,0|1,0,0]=3 2293 B3R0.1 PCCP MCULE-2159678577 [2,0,0,0,0,0|1,1,0]=4 2294 B3R0.1 SCCBr MCULE-5899941299 [2,0,0,0,0,0|1,1,0]=4 2295 B3R0.1 SCCS MCULE-8277435664 [2,0,0,0,0,0|1,1,0]=4 2296 B3R0.1 [NH3+]CCS MCULE-6407472407 [2,0,0,0,0,0|0,1,1]=4 2297 B3R0.1 [NH3+]CC[NH3+] MCULE-5313549416 [2,0,0,0,0,0|1,0,1]=4 2298 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|2,0,0]=4 2299 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|2,0,0]=4 2300 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|2,0,0]=4 2301 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|2,0,0]=4 2302 B3R0.2 CB(O)O MCULE-3510763826 [2,0,0,0,0,0|1,0,1]=4 2303 B3R0.2 CC(=N)N MCULE-3235425606 [2,0,0,0,0,0|2,0,0]=4 2304 B3R0.2 CC(=N)N MCULE-3546679379 [2,0,0,0,0,0|2,0,0]=4 2305 B3R0.2 CC(=N)N MCULE-3597638887 [2,0,0,0,0,0|2,0,0]=4 2306 B3R0.2 CC(=N)N MCULE-9831274654 [2,0,0,0,0,0|2,0,0]=4 2307 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|1,0,0]=3 2308 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|1,0,0]=3 2309 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|1,0,0]=3 2310 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|1,0,0]=3 2311 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|1,0,0]=3 2312 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|0,0,0]=2 2313 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|0,0,0]=2 2314 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|0,0,0]=2 2315 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|0,0,0]=2 2316 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|0,0,0]=2 2317 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|0,0,0]=2 2318 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|0,0,0]=2 2319 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|0,1,0]=3 2320 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|0,0,1]=3 2321 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|0,0,1]=3 2322 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|0,0,1]=3 2323 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|0,0,1]=3 2324 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|0,0,1]=3 2325 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|0,0,1]=3 2326 B3R0.2 CC(=S)N MCULE-4635097605 [2,0,0,0,0,0|1,1,0]=4 2327 B3R0.2 CC(=S)[O-] MCULE-1878530758 [2,0,0,0,0,0|0,1,1]=4 2328 B3R0.2 CC(C)O MCULE-6646752234 [2,0,0,0,0,0|1,0,1]=4 2329 B3R0.2 CN(=O)=O MCULE-8704524604 [2,0,0,0,0,0|1,0,1]=4 2330 B3R0.2 CN(C)O MCULE-6572915706 [2,0,0,0,0,0|2,0,0]=4 2331 B3R0.2 CN(C)O MCULE-6950647562 [2,0,0,0,0,0|2,0,0]=4 2332 B3R0.2 CP(=O)C MCULE-6150886622 [2,0,0,0,0,0|2,0,0]=4 2333 B3R0.2 CS(=O)C MCULE-2005841258 [2,0,0,0,0,0|2,0,0]=4 2334 B3R0.2 CS(=O)Cl MCULE-1292201352 [2,0,0,0,0,0|2,0,0]=4 2335 B3R0.2 CS(=O)N MCULE-5162949591 [2,0,0,0,0,0|2,0,0]=4 2336 B3R0.2 CS(=O)O MCULE-8711306710 [2,0,0,0,0,0|1,0,0]=3 2337 B3R0.2 CS(=O)[O-] MCULE-1437194827 [2,0,0,0,0,0|1,0,1]=4 2338 B3R0.2 C[Se](=O)C MCULE-4596040471 [2,0,0,0,0,0|2,0,0]=4 2339 B3R0.2 C[Se](=O)O MCULE-5568767851 [2,0,0,0,0,0|1,0,0]=3 2340 B3R0.2 N=C(N)Cl MCULE-4764134011 [2,0,0,0,0,0|2,0,0]=4 2341 B3R0.2 N=C(N)Cl MCULE-7852054677 [2,0,0,0,0,0|2,0,0]=4 2342 B3R0.2 N=C(N)N MCULE-1152750770 [2,0,0,0,0,0|2,0,0]=4 2343 B3R0.2 N=C(N)N MCULE-1411566696 [2,0,0,0,0,0|2,0,0]=4 2344 B3R0.2 N=C(N)N MCULE-4266731066 [2,0,0,0,0,0|2,0,0]=4 2345 B3R0.2 N=C(N)N MCULE-5921771392 [2,0,0,0,0,0|2,0,0]=4 2346 B3R0.2 N=C(N)N MCULE-6036914599 [2,0,0,0,0,0|2,0,0]=4 2347 B3R0.2 N=C(N)N MCULE-6164013415 [2,0,0,0,0,0|2,0,0]=4 2348 B3R0.2 N=C(N)N MCULE-9649225484 [2,0,0,0,0,0|2,0,0]=4 2349 B3R0.2 NC(=O)N MCULE-3224868954 [2,0,0,0,0,0|1,0,0]=3 2350 B3R0.2 NC(=O)N MCULE-8513891094 [2,0,0,0,0,0|1,0,0]=3 2351 B3R0.2 NC(=O)O MCULE-1579038047 [2,0,0,0,0,0|0,0,0]=2 2352 B3R0.2 NC(=O)O MCULE-3232812015 [2,0,0,0,0,0|0,0,0]=2 2353 B3R0.2 NC(=S)N MCULE-5046264236 [2,0,0,0,0,0|1,1,0]=4 2354 B3R0.2 NC(=S)S MCULE-6182511253 [2,0,0,0,0,0|0,2,0]=4 2355 B3R0.2 NC(=S)[S-] MCULE-1680327465 [2,0,0,0,0,0|0,2,0]=4 2356 B3R0.2 NC(=[Se])N MCULE-3936244532 [2,0,0,0,0,0|1,1,0]=4 2357 B3R0.2 O=C(Cl)[Au] MCULE-6601882022 [2,0,0,0,0,0|2,0,0]=4 2358 B3R0.2 O=C(O)O MCULE-3743781291 [2,0,0,0,0,0|1,0,0]=3 2359 B3R0.2 O=C(O)O MCULE-6373078171 [2,0,0,0,0,0|1,0,0]=3 2360 B3R0.2 O=C([O-])O MCULE-5529655359 [2,0,0,0,0,0|1,0,0]=3 2361 B3R0.2 O=C([O-])O MCULE-7293729150 [2,0,0,0,0,0|1,0,0]=3 2362 B3R0.2 O=C([O-])[O-] MCULE-1092668330 [2,0,0,0,0,0|1,0,1]=4 2363 B3R0.2 O=C([O-])[O-] MCULE-1095103800 [2,0,0,0,0,0|1,0,1]=4 2364 B3R0.2 O=C([O-])[O-] MCULE-1597066471 [2,0,0,0,0,0|1,0,1]=4 2365 B3R0.2 O=C([O-])[O-] MCULE-2005483457 [2,0,0,0,0,0|1,0,1]=4 2366 B3R0.2 O=C([O-])[O-] MCULE-3299525070 [2,0,0,0,0,0|1,0,1]=4 2367 B3R0.2 O=C([O-])[O-] MCULE-4074516840 [2,0,0,0,0,0|1,0,1]=4 2368 B3R0.2 O=C([O-])[O-] MCULE-4180727513 [2,0,0,0,0,0|1,0,1]=4 2369 B3R0.2 O=C([O-])[O-] MCULE-4294265087 [2,0,0,0,0,0|1,0,1]=4 2370 B3R0.2 O=C([O-])[O-] MCULE-5127021441 [2,0,0,0,0,0|1,0,1]=4 2371 B3R0.2 O=C([O-])[O-] MCULE-5345790821 [2,0,0,0,0,0|1,0,1]=4 2372 B3R0.2 O=C([O-])[O-] MCULE-6214917073 [2,0,0,0,0,0|1,0,1]=4 2373 B3R0.2 O=C([O-])[O-] MCULE-6757968396 [2,0,0,0,0,0|1,0,1]=4 2374 B3R0.2 O=C([O-])[O-] MCULE-7714638074 [2,0,0,0,0,0|1,0,1]=4 2375 B3R0.2 O=C([O-])[O-] MCULE-8731559807 [2,0,0,0,0,0|1,0,1]=4 2376 B3R0.2 O=I(=O)O MCULE-6335954469 [2,0,0,0,0,0|2,0,0]=4 2377 B3R0.2 O=I(=O)O MCULE-7906123102 [2,0,0,0,0,0|2,0,0]=4 2378 B3R0.2 O=N(=O)O MCULE-5926867268 [2,0,0,0,0,0|2,0,0]=4 2379 B3R0.2 O=N(=O)O MCULE-8501453871 [2,0,0,0,0,0|2,0,0]=4 2380 B3R0.2 O=P(=O)O MCULE-3007887617 [2,0,0,0,0,0|2,0,0]=4 2381 B3R0.2 O=P(O)O MCULE-8889145943 [2,0,0,0,0,0|2,0,0]=4 2382 B3R0.2 O=P([O-])O MCULE-3773885400 [2,0,0,0,0,0|2,0,0]=4 2383 B3R0.2 O=P([O-])O MCULE-6745348516 [2,0,0,0,0,0|2,0,0]=4 2384 B3R0.2 O=S(=O)O MCULE-7070708516 [2,0,0,0,0,0|2,0,0]=4 2385 B3R0.2 O=S(O)O MCULE-3188569799 [2,0,0,0,0,0|2,0,0]=4 2386 B3R0.2 O=S(O)O MCULE-7812738469 [2,0,0,0,0,0|2,0,0]=4 2387 B3R0.2 O=[Se](O)O MCULE-9081277469 [2,0,0,0,0,0|2,0,0]=4 2388 B3R0.2 O=[Si](O)O MCULE-3228936275 [2,0,0,0,0,0|1,1,0]=4 2389 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,1,0,0,0,0|1,0,0]=3 2390 B5R0.3 C#CC(=O)NC MCULE-8852565705 [1,1,0,0,0,0|2,0,0]=4 2391 B5R0.3 C#CC(=O)OC MCULE-5108326717 [1,1,0,0,0,0|0,0,2]=4 2392 B5R0.3 C#CC(O)CC MCULE-9890863731 [1,1,0,0,0,0|1,0,1]=4 2393 B5R0.3 C/C(=C\N)/C=O MCULE-4713460468 [1,1,0,0,0,0|1,0,1]=4 2394 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,1,0,0,0,0|2,0,0]=4 2395 B5R0.3 C/C=C(\C)/C=O MCULE-2818872726 [1,1,0,0,0,0|1,0,1]=4 2396 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,1,0,0,0,0|2,0,0]=4 2397 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,1,0,0,0,0|1,0,0]=3 2398 B5R0.3 C=C(CC)CBr MCULE-1652422688 [1,1,0,0,0,0|2,0,0]=4 2399 B5R0.3 C=C(CC)CC MCULE-9174509622 [1,1,0,0,0,0|2,0,0]=4 2400 B5R0.3 C=C(CC)CN MCULE-2269385026 [1,1,0,0,0,0|2,0,0]=4 2401 B5R0.3 C=C(CC)CN MCULE-3033447984 [1,1,0,0,0,0|2,0,0]=4 2402 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,1,0,0,0,0|1,0,0]=3 2403 B5R0.3 C=C(CN)CN MCULE-5063132725 [1,1,0,0,0,0|2,0,0]=4 2404 B5R0.3 C=C(CO)CBr MCULE-9563589949 [1,1,0,0,0,0|2,0,0]=4 2405 B5R0.3 C=C(CO)CO MCULE-2682601949 [1,1,0,0,0,0|2,0,0]=4 2406 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,1,0,0,0,0|1,0,0]=3 2407 B5R0.3 C=CC(=O)NC MCULE-5619481947 [1,1,0,0,0,0|2,0,0]=4 2408 B5R0.3 C=CC(=O)NN MCULE-4327484127 [1,1,0,0,0,0|2,0,0]=4 2409 B5R0.3 C=CC(=O)NN MCULE-4961696321 [1,1,0,0,0,0|2,0,0]=4 2410 B5R0.3 C=CC(=O)NO MCULE-9528737042 [1,1,0,0,0,0|0,0,2]=4 2411 B5R0.3 C=CC(=O)OC MCULE-6010665978 [1,1,0,0,0,0|0,0,2]=4 2412 B5R0.3 C=CC(O)CC MCULE-2794806228 [1,1,0,0,0,0|1,0,1]=4 2413 B5R0.3 C=CC(O)CN MCULE-3472823475 [1,1,0,0,0,0|1,0,1]=4 2414 B5R0.3 CC(=CN)C=O MCULE-5507488903 [1,1,0,0,0,0|1,0,1]=4 2415 B5R0.3 CC(=NO)CS MCULE-9694340512 [1,1,0,0,0,0|2,0,0]=4 2416 B5R0.3 CC(CN)CO MCULE-5880795484 [1,1,0,0,0,0|1,0,1]=4 2417 B5R0.3 CC(CN)CO MCULE-8083007887 [1,1,0,0,0,0|1,0,1]=4 2418 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [1,1,0,0,0,0|1,0,0]=3 2419 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,1,0,0,0,0|1,0,0]=3 2420 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,1,0,0,0,0|1,0,0]=3 2421 B5R0.3 CC=C(Br)C=O MCULE-4703333701 [1,1,0,0,0,0|1,0,1]=4 2422 B5R0.3 CC=C(C)C=O MCULE-9453566957 [1,1,0,0,0,0|1,0,1]=4 2423 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,1,0,0,0,0|2,0,0]=4 2424 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,1,0,0,0,0|1,0,0]=3 2425 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,1,0,0,0,0|1,0,0]=3 2426 B5R0.3 CCC(=NO)C MCULE-1859652505 [1,1,0,0,0,0|1,0,0]=3 2427 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,1,0,0,0,0|1,0,0]=3 2428 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,1,0,0,0,0|1,0,0]=3 2429 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,1,0,0,0,0|1,0,0]=3 2430 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,1,0,0,0,0|1,0,0]=3 2431 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,1,0,0,0,0|1,0,0]=3 2432 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,1,0,0,0,0|0,0,0]=2 2433 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,1,0,0,0,0|1,0,0]=3 2434 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,1,0,0,0,0|1,0,0]=3 2435 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,1,0,0,0,0|0,0,0]=2 2436 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,1,0,0,0,0|0,0,0]=2 2437 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,1,0,0,0,0|0,1,0]=3 2438 B5R0.3 CCC(Br)C=O MCULE-3064952987 [1,1,0,0,0,0|1,0,1]=4 2439 B5R0.3 CCC(Br)CO MCULE-7211805716 [1,1,0,0,0,0|1,0,1]=4 2440 B5R0.3 CCC(C)C=O MCULE-2523669899 [1,1,0,0,0,0|1,0,1]=4 2441 B5R0.3 CCC(C)CO MCULE-6521026296 [1,1,0,0,0,0|1,0,1]=4 2442 B5R0.3 CCC(C)NO MCULE-1247092627 [1,1,0,0,0,0|1,0,1]=4 2443 B5R0.3 CCC(C)NO MCULE-6169819668 [1,1,0,0,0,0|1,0,1]=4 2444 B5R0.3 CCC(C)OC MCULE-7354431606 [1,1,0,0,0,0|1,0,1]=4 2445 B5R0.3 CCC(C)ON MCULE-2907890438 [1,1,0,0,0,0|1,0,1]=4 2446 B5R0.3 CCC(C)ON MCULE-4364205813 [1,1,0,0,0,0|1,0,1]=4 2447 B5R0.3 CCC(Cl)C=O MCULE-5238776091 [1,1,0,0,0,0|1,0,1]=4 2448 B5R0.3 CCC(Cl)CO MCULE-1756262629 [1,1,0,0,0,0|1,0,1]=4 2449 B5R0.3 CCC(N)CO MCULE-1135809021 [1,1,0,0,0,0|1,0,1]=4 2450 B5R0.3 CCC(N)CO MCULE-7588854111 [1,1,0,0,0,0|1,0,1]=4 2451 B5R0.3 CCC(O)C#N MCULE-5389816542 [1,1,0,0,0,0|1,0,1]=4 2452 B5R0.3 CCC(O)CBr MCULE-4205031860 [1,1,0,0,0,0|1,0,1]=4 2453 B5R0.3 CCC(O)CC MCULE-5553645045 [1,1,0,0,0,0|1,0,1]=4 2454 B5R0.3 CCC(O)CCl MCULE-8359810208 [1,1,0,0,0,0|1,0,1]=4 2455 B5R0.3 CCC(O)CN MCULE-5197026448 [1,1,0,0,0,0|1,0,1]=4 2456 B5R0.3 CCC(O)CO MCULE-2488753438 [1,1,0,0,0,0|0,0,2]=4 2457 B5R0.3 CCC(O)CO MCULE-7297282094 [1,1,0,0,0,0|0,0,2]=4 2458 B5R0.3 CCN(C)C=O MCULE-2308681384 [1,1,0,0,0,0|2,0,0]=4 2459 B5R0.3 CCN(O)CC MCULE-6022935768 [1,1,0,0,0,0|2,0,0]=4 2460 B5R0.3 CCP(=O)CC MCULE-2216184595 [1,1,0,0,0,0|2,0,0]=4 2461 B5R0.3 CCS(=O)CC MCULE-5102735179 [1,1,0,0,0,0|2,0,0]=4 2462 B5R0.3 CC[C@@H](C)CO MCULE-6700783698 [1,1,0,0,0,0|1,0,1]=4 2463 B5R0.3 CC[C@@H](C)CO MCULE-8175790803 [1,1,0,0,0,0|1,0,1]=4 2464 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [1,1,0,0,0,0|1,0,1]=4 2465 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [1,1,0,0,0,0|1,0,1]=4 2466 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [1,1,0,0,0,0|1,0,1]=4 2467 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [1,1,0,0,0,0|1,0,1]=4 2468 B5R0.3 CC[C@@H](O)CO MCULE-3948477298 [1,1,0,0,0,0|0,0,2]=4 2469 B5R0.3 CC[C@@H](O)CO MCULE-5098109795 [1,1,0,0,0,0|0,0,2]=4 2470 B5R0.3 CC[C@H](C)CO MCULE-1493424061 [1,1,0,0,0,0|1,0,1]=4 2471 B5R0.3 CC[C@H](C)CO MCULE-6879443668 [1,1,0,0,0,0|1,0,1]=4 2472 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [1,1,0,0,0,0|1,0,1]=4 2473 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [1,1,0,0,0,0|1,0,1]=4 2474 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [1,1,0,0,0,0|1,0,1]=4 2475 B5R0.3 CC[C@H](O)CO MCULE-2194264642 [1,1,0,0,0,0|0,0,2]=4 2476 B5R0.3 CC[C@H](O)CO MCULE-5503575962 [1,1,0,0,0,0|0,0,2]=4 2477 B5R0.3 CNC(=N)CO MCULE-3239749882 [1,1,0,0,0,0|2,0,0]=4 2478 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,1,0,0,0,0|2,0,0]=4 2479 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,1,0,0,0,0|2,0,0]=4 2480 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,1,0,0,0,0|2,0,0]=4 2481 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,1,0,0,0,0|1,0,0]=3 2482 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,1,0,0,0,0|1,0,0]=3 2483 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,1,0,0,0,0|1,0,0]=3 2484 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,1,0,0,0,0|1,1,0]=4 2485 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,1,0,0,0,0|2,0,0]=4 2486 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,1,0,0,0,0|2,0,0]=4 2487 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,1,0,0,0,0|1,0,0]=3 2488 B5R0.3 COC(=N)CCl MCULE-2713131753 [1,1,0,0,0,0|2,0,0]=4 2489 B5R0.3 COC(=N)CCl MCULE-6471252676 [1,1,0,0,0,0|2,0,0]=4 2490 B5R0.3 COC(=O)C#N MCULE-8762838190 [1,1,0,0,0,0|0,0,2]=4 2491 B5R0.3 COC(=O)C=O MCULE-2685327079 [1,1,0,0,0,0|1,0,1]=4 2492 B5R0.3 COC(=O)CBr MCULE-2684954408 [1,1,0,0,0,0|1,0,0]=3 2493 B5R0.3 COC(=O)CCl MCULE-5886832940 [1,1,0,0,0,0|1,0,0]=3 2494 B5R0.3 COC(=O)CF MCULE-4367430175 [1,1,0,0,0,0|1,0,0]=3 2495 B5R0.3 COC(=O)CI MCULE-9545584156 [1,1,0,0,0,0|1,0,0]=3 2496 B5R0.3 COC(=O)CN MCULE-7462799100 [1,1,0,0,0,0|0,0,0]=2 2497 B5R0.3 COC(=O)CN MCULE-8887061469 [1,1,0,0,0,0|0,0,0]=2 2498 B5R0.3 COC(=O)CO MCULE-8734582763 [1,1,0,0,0,0|1,0,0]=3 2499 B5R0.3 COC(=O)CS MCULE-3020830180 [1,1,0,0,0,0|1,0,0]=3 2500 B5R0.3 COC(=O)NN MCULE-2637794839 [1,1,0,0,0,0|1,0,0]=3 2501 B5R0.3 COC(=O)OC MCULE-7488725621 [1,1,0,0,0,0|1,0,0]=3 2502 B5R0.3 COC(=O)SCl MCULE-1018411491 [1,1,0,0,0,0|1,1,0]=4 2503 B5R0.3 COC(=S)NN MCULE-8717505617 [1,1,0,0,0,0|1,1,0]=4 2504 B5R0.3 COC(=S)SC MCULE-7665194168 [1,1,0,0,0,0|1,1,0]=4 2505 B5R0.3 COC(C)CN MCULE-1378513525 [1,1,0,0,0,0|1,0,1]=4 2506 B5R0.3 COC(C)CN MCULE-6114730248 [1,1,0,0,0,0|1,0,1]=4 2507 B5R0.3 COC(C)CN MCULE-7516064224 [1,1,0,0,0,0|1,0,1]=4 2508 B5R0.3 COC(C)CN MCULE-8277408054 [1,1,0,0,0,0|1,0,1]=4 2509 B5R0.3 COS(=O)OC MCULE-9352053920 [1,1,0,0,0,0|2,0,0]=4 2510 B5R0.3 CO[C@@H](C)CN MCULE-1448950160 [1,1,0,0,0,0|1,0,1]=4 2511 B5R0.3 CO[C@@H](C)CN MCULE-3784073249 [1,1,0,0,0,0|1,0,1]=4 2512 B5R0.3 CO[C@@H](C)CN MCULE-6073633931 [1,1,0,0,0,0|1,0,1]=4 2513 B5R0.3 CO[C@@H](C)CN MCULE-9516756218 [1,1,0,0,0,0|1,0,1]=4 2514 B5R0.3 CO[C@H](C)CN MCULE-4143562009 [1,1,0,0,0,0|1,0,1]=4 2515 B5R0.3 CO[C@H](C)CN MCULE-4184510827 [1,1,0,0,0,0|1,0,1]=4 2516 B5R0.3 CO[C@H](C)CN MCULE-9625722424 [1,1,0,0,0,0|1,0,1]=4 2517 B5R0.3 CO[C@H](C)CN MCULE-9882567615 [1,1,0,0,0,0|1,0,1]=4 2518 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [1,1,0,0,0,0|2,0,0]=4 2519 B5R0.3 CSC(=NO)C MCULE-1500524467 [1,1,0,0,0,0|2,0,0]=4 2520 B5R0.3 CSC(=O)SC MCULE-7167992573 [1,1,0,0,0,0|1,1,0]=4 2521 B5R0.3 C[C@@H](CN)CO MCULE-4662215148 [1,1,0,0,0,0|1,0,1]=4 2522 B5R0.3 C[C@@H](CN)CO MCULE-7870198689 [1,1,0,0,0,0|1,0,1]=4 2523 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [1,1,0,0,0,0|2,0,0]=4 2524 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [1,1,0,0,0,0|2,0,0]=4 2525 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [1,1,0,0,0,0|2,0,0]=4 2526 B5R0.3 N=C(NN)NO MCULE-6419110297 [1,1,0,0,0,0|2,0,0]=4 2527 B5R0.3 NCC(=O)CN MCULE-2420991481 [1,1,0,0,0,0|1,0,0]=3 2528 B5R0.3 NCC(=O)CN MCULE-8626789745 [1,1,0,0,0,0|1,0,0]=3 2529 B5R0.3 NCC(=O)NN MCULE-2318099199 [1,1,0,0,0,0|1,0,0]=3 2530 B5R0.3 NCC(=O)NN MCULE-3392354502 [1,1,0,0,0,0|1,0,0]=3 2531 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,1,0,0,0,0|0,0,0]=2 2532 B5R0.3 NCC(F)CO MCULE-6156319956 [1,1,0,0,0,0|1,0,1]=4 2533 B5R0.3 NCC(F)CO MCULE-7472307328 [1,1,0,0,0,0|1,0,1]=4 2534 B5R0.3 NCC(O)CCl MCULE-1566349721 [1,1,0,0,0,0|1,0,1]=4 2535 B5R0.3 NCC(O)CCl MCULE-3532626994 [1,1,0,0,0,0|1,0,1]=4 2536 B5R0.3 NCC(O)CCl MCULE-5045913208 [1,1,0,0,0,0|1,0,1]=4 2537 B5R0.3 NCC(O)CCl MCULE-7168455596 [1,1,0,0,0,0|1,0,1]=4 2538 B5R0.3 NCC(O)CF MCULE-7529777116 [1,1,0,0,0,0|1,0,1]=4 2539 B5R0.3 NCC(O)CF MCULE-8092861019 [1,1,0,0,0,0|1,0,1]=4 2540 B5R0.3 NCC(O)CN MCULE-4689186078 [1,1,0,0,0,0|1,0,1]=4 2541 B5R0.3 NCC(O)CO MCULE-2689763818 [1,1,0,0,0,0|0,0,2]=4 2542 B5R0.3 NCC(O)CO MCULE-6096620010 [1,1,0,0,0,0|0,0,2]=4 2543 B5R0.3 NCC(O)CO MCULE-7307777212 [1,1,0,0,0,0|0,0,2]=4 2544 B5R0.3 NC[C@@H](F)CO MCULE-3273711180 [1,1,0,0,0,0|1,0,1]=4 2545 B5R0.3 NC[C@@H](F)CO MCULE-6673969522 [1,1,0,0,0,0|1,0,1]=4 2546 B5R0.3 NC[C@@H](N)CO MCULE-7333007012 [1,1,0,0,0,0|1,0,1]=4 2547 B5R0.3 NC[C@@H](N)CO MCULE-9200386635 [1,1,0,0,0,0|1,0,1]=4 2548 B5R0.3 NC[C@@H](O)CCl MCULE-1905964392 [1,1,0,0,0,0|1,0,1]=4 2549 B5R0.3 NC[C@@H](O)CCl MCULE-5592096864 [1,1,0,0,0,0|1,0,1]=4 2550 B5R0.3 NC[C@@H](O)CCl MCULE-5723497450 [1,1,0,0,0,0|1,0,1]=4 2551 B5R0.3 NC[C@@H](O)CCl MCULE-7112738263 [1,1,0,0,0,0|1,0,1]=4 2552 B5R0.3 NC[C@@H](O)CO MCULE-7897503444 [1,1,0,0,0,0|0,0,2]=4 2553 B5R0.3 NC[C@@H](O)CO MCULE-8044821624 [1,1,0,0,0,0|0,0,2]=4 2554 B5R0.3 NC[C@@H](O)CO MCULE-9443333756 [1,1,0,0,0,0|0,0,2]=4 2555 B5R0.3 NC[C@H](F)CO MCULE-2595736378 [1,1,0,0,0,0|1,0,1]=4 2556 B5R0.3 NC[C@H](F)CO MCULE-7417074078 [1,1,0,0,0,0|1,0,1]=4 2557 B5R0.3 NC[C@H](F)CO MCULE-7938231499 [1,1,0,0,0,0|1,0,1]=4 2558 B5R0.3 NC[C@H](N)CO MCULE-1060049548 [1,1,0,0,0,0|1,0,1]=4 2559 B5R0.3 NC[C@H](N)CO MCULE-9942356112 [1,1,0,0,0,0|1,0,1]=4 2560 B5R0.3 NC[C@H](O)CBr MCULE-4679771824 [1,1,0,0,0,0|1,0,1]=4 2561 B5R0.3 NC[C@H](O)CBr MCULE-4785059460 [1,1,0,0,0,0|1,0,1]=4 2562 B5R0.3 NC[C@H](O)CCl MCULE-3625478007 [1,1,0,0,0,0|1,0,1]=4 2563 B5R0.3 NC[C@H](O)CCl MCULE-6692503791 [1,1,0,0,0,0|1,0,1]=4 2564 B5R0.3 NC[C@H](O)CO MCULE-5835551322 [1,1,0,0,0,0|0,0,2]=4 2565 B5R0.3 NC[C@H](O)CO MCULE-6021133883 [1,1,0,0,0,0|0,0,2]=4 2566 B5R0.3 NC[C@H](O)CO MCULE-7461568841 [1,1,0,0,0,0|0,0,2]=4 2567 B5R0.3 NC[C@H](O)CO MCULE-8112454132 [1,1,0,0,0,0|0,0,2]=4 2568 B5R0.3 NNC(=O)CCl MCULE-2158347473 [1,1,0,0,0,0|2,0,0]=4 2569 B5R0.3 NNC(=O)CCl MCULE-9762553206 [1,1,0,0,0,0|2,0,0]=4 2570 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,1,0,0,0,0|1,0,0]=3 2571 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,1,0,0,0,0|1,1,0]=4 2572 B5R0.3 NNC(=O)NN MCULE-8522412568 [1,1,0,0,0,0|2,0,0]=4 2573 B5R0.3 NNC(=O)NO MCULE-7106168898 [1,1,0,0,0,0|1,0,0]=3 2574 B5R0.3 O=C(CBr)CBr MCULE-5262523719 [1,1,0,0,0,0|2,0,0]=4 2575 B5R0.3 O=C(CCl)CCl MCULE-2048636813 [1,1,0,0,0,0|2,0,0]=4 2576 B5R0.3 O=C(CF)CF MCULE-8790300272 [1,1,0,0,0,0|2,0,0]=4 2577 B5R0.3 O=C(CO)CO MCULE-7188810449 [1,1,0,0,0,0|1,0,0]=3 2578 B5R0.3 O=CC(=O)CO MCULE-7273475675 [1,1,0,0,0,0|1,0,1]=4 2579 B5R0.3 O=CC(O)CO MCULE-9581740191 [1,1,0,0,0,0|1,0,1]=4 2580 B5R0.3 O=C[C@@H](O)CO MCULE-3883857491 [1,1,0,0,0,0|1,0,1]=4 2581 B5R0.3 O=C[C@@H](O)CO MCULE-7852783182 [1,1,0,0,0,0|1,0,1]=4 2582 B5R0.3 O=C[C@H](O)CO MCULE-4574984840 [1,1,0,0,0,0|1,0,1]=4 2583 B5R0.3 P(=O)(OC)OC MCULE-7918891029 [1,1,0,0,0,0|2,0,0]=4 2584 B5R0.3 [C@H](O)(CN)CCl MCULE-1220791610 [1,1,0,0,0,0|1,0,1]=4 2585 B5R0.3 [C@H](O)(CN)CCl MCULE-4106901858 [1,1,0,0,0,0|1,0,1]=4 2586 B5R0.4 CC(C)(O)CN MCULE-5270413077 [1,1,0,0,0,0|1,0,1]=4 2587 B5R0.4 CC(C)(O)CN MCULE-7438555366 [1,1,0,0,0,0|1,0,1]=4 2588 B5R0.4 CCC(C)(C)O MCULE-7894262803 [1,1,0,0,0,0|1,0,1]=4 2589 B5R0.4 CCP(=O)(Cl)Cl MCULE-3811520604 [1,1,0,0,0,0|2,0,0]=4 2590 B5R0.4 CCP(=O)(O)O MCULE-5185791919 [1,1,0,0,0,0|1,0,0]=3 2591 B5R0.4 CCS(=N)(=O)C MCULE-6682726319 [1,1,0,0,0,0|2,0,0]=4 2592 B5R0.4 CCS(=O)(=O)C MCULE-8932195925 [1,1,0,0,0,0|1,0,1]=4 2593 B5R0.4 CCS(=O)(=O)Cl MCULE-4280260185 [1,1,0,0,0,0|1,0,1]=4 2594 B5R0.4 CCS(=O)(=O)F MCULE-9460711277 [1,1,0,0,0,0|1,0,1]=4 2595 B5R0.4 CCS(=O)(=O)N MCULE-4542844597 [1,1,0,0,0,0|1,0,1]=4 2596 B5R0.4 CCS(=O)(=O)O MCULE-4408374633 [1,1,0,0,0,0|1,0,0]=3 2597 B5R0.4 CCS(=O)(=S)O MCULE-3229359913 [1,1,0,0,0,0|1,0,0]=3 2598 B5R0.4 CCS(=O)(=S)[O-] MCULE-8602343929 [1,1,0,0,0,0|1,0,1]=4 2599 B5R0.4 CNS(=O)(=O)O MCULE-7257326709 [1,1,0,0,0,0|2,0,0]=4 2600 B5R0.4 COP(=O)(O)O MCULE-8832075019 [1,1,0,0,0,0|2,0,0]=4 2601 B5R0.4 COS(=O)(=O)O MCULE-7245694496 [1,1,0,0,0,0|2,0,0]=4 2602 B5R0.4 NCP(=O)(O)O MCULE-5036947233 [1,1,0,0,0,0|1,0,0]=3 2603 B5R0.4 NCS(=O)(=O)O MCULE-2178285528 [1,1,0,0,0,0|1,0,0]=3 2604 B5R0.4 NOS(=O)(=O)O MCULE-4655259886 [1,1,0,0,0,0|2,0,0]=4 2605 B5R0.4 O=P(O)(O)CCl MCULE-3749129481 [1,1,0,0,0,0|2,0,0]=4 2606 B5R0.4 O=P(O)(O)CO MCULE-9997097349 [1,1,0,0,0,0|2,0,0]=4 2607 B5R0.4 O=S(=O)(O)CBr MCULE-7461723318 [1,1,0,0,0,0|2,0,0]=4 2608 B5R0.4 O=S(=O)(O)CCl MCULE-4274838804 [1,1,0,0,0,0|2,0,0]=4 2609 B5R0.4 O=S(=O)(O)CO MCULE-9647441782 [1,1,0,0,0,0|2,0,0]=4 2610 B5R0.5 C=C(Br)C(=O)O MCULE-2068246942 [1,1,0,0,0,0|0,0,2]=4 2611 B5R0.5 C=C(C)C(=O)C MCULE-5872425076 [1,1,0,0,0,0|1,0,1]=4 2612 B5R0.5 C=C(C)C(=O)Cl MCULE-9163474336 [1,1,0,0,0,0|1,0,1]=4 2613 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,1,0,0,0,0|1,0,1]=4 2614 B5R0.5 C=C(C)C(=O)O MCULE-9899621926 [1,1,0,0,0,0|0,0,1]=3 2615 B5R0.5 C=C(C)C(=O)[O-] MCULE-5299174444 [1,1,0,0,0,0|0,0,2]=4 2616 B5R0.5 C=C(C)C(=O)[O-] MCULE-7320418926 [1,1,0,0,0,0|0,0,2]=4 2617 B5R0.5 C=C(C)C(=O)[O-] MCULE-7347881815 [1,1,0,0,0,0|0,0,2]=4 2618 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [1,1,0,0,0,0|2,0,0]=4 2619 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [1,1,0,0,0,0|2,0,0]=4 2620 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,1,0,0,0,0|2,0,0]=4 2621 B5R0.5 C=C(Cl)C(=O)O MCULE-8316225208 [1,1,0,0,0,0|0,0,2]=4 2622 B5R0.5 C=C(F)C(=O)O MCULE-7137929861 [1,1,0,0,0,0|0,0,2]=4 2623 B5R0.5 CC(=O)C(=O)C MCULE-5742661187 [1,1,0,0,0,0|1,0,1]=4 2624 B5R0.5 CC(=O)C(=O)Cl MCULE-3413498860 [1,1,0,0,0,0|1,0,1]=4 2625 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,1,0,0,0,0|1,0,1]=4 2626 B5R0.5 CC(=O)C(=O)O MCULE-8587144313 [1,1,0,0,0,0|0,0,1]=3 2627 B5R0.5 CC(=O)C(=O)[O-] MCULE-2773521709 [1,1,0,0,0,0|0,0,2]=4 2628 B5R0.5 CC(=O)C(=O)[O-] MCULE-7007482346 [1,1,0,0,0,0|0,0,2]=4 2629 B5R0.5 CC(=O)C(=O)[O-] MCULE-8344520452 [1,1,0,0,0,0|0,0,2]=4 2630 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [1,1,0,0,0,0|1,0,1]=4 2631 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,1,0,0,0,0|1,0,0]=3 2632 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,1,0,0,0,0|1,0,0]=3 2633 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,1,0,0,0,0|1,0,0]=3 2634 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,1,0,0,0,0|1,0,0]=3 2635 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,1,0,0,0,0|1,0,0]=3 2636 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,1,0,0,0,0|1,0,0]=3 2637 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,1,0,0,0,0|1,0,0]=3 2638 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,1,0,0,0,0|1,0,0]=3 2639 B5R0.5 CC(=O)C(Cl)Cl MCULE-9043899746 [1,1,0,0,0,0|2,0,0]=4 2640 B5R0.5 CC(=O)C(F)F MCULE-9206168077 [1,1,0,0,0,0|2,0,0]=4 2641 B5R0.5 CC(=O)N(C)C MCULE-4256511309 [1,1,0,0,0,0|2,0,0]=4 2642 B5R0.5 CC(=O)N(C)N MCULE-2447375293 [1,1,0,0,0,0|2,0,0]=4 2643 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,1,0,0,0,0|1,0,0]=3 2644 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,1,0,0,0,0|1,0,0]=3 2645 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,1,0,0,0,0|1,0,0]=3 2646 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,1,0,0,0,0|1,0,0]=3 2647 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,1,0,0,0,0|1,0,0]=3 2648 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,1,0,0,0,0|1,0,0]=3 2649 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,1,0,0,0,0|1,0,0]=3 2650 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,1,0,0,0,0|0,0,0]=2 2651 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,1,0,0,0,0|0,0,0]=2 2652 B5R0.5 CC(C)B(O)O MCULE-1255589444 [1,1,0,0,0,0|1,0,1]=4 2653 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [1,1,0,0,0,0|2,0,0]=4 2654 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [1,1,0,0,0,0|2,0,0]=4 2655 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,1,0,0,0,0|1,0,0]=3 2656 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,1,0,0,0,0|1,0,0]=3 2657 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,1,0,0,0,0|1,0,0]=3 2658 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,1,0,0,0,0|0,0,0]=2 2659 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,1,0,0,0,0|0,1,0]=3 2660 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,1,0,0,0,0|1,1,0]=4 2661 B5R0.5 CC(C)C(C)O MCULE-4829392845 [1,1,0,0,0,0|1,0,1]=4 2662 B5R0.5 CC(C)N(=O)=O MCULE-8418443353 [1,1,0,0,0,0|1,0,1]=4 2663 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [1,1,0,0,0,0|2,0,0]=4 2664 B5R0.5 CC(C)S(=O)O MCULE-5200056082 [1,1,0,0,0,0|1,0,0]=3 2665 B5R0.5 CC(C)S(=O)[O-] MCULE-2354817364 [1,1,0,0,0,0|1,0,1]=4 2666 B5R0.5 CC(C)[C@@H](C)O MCULE-3565458505 [1,1,0,0,0,0|1,0,1]=4 2667 B5R0.5 CC(C)[C@H](C)O MCULE-1553214756 [1,1,0,0,0,0|1,0,1]=4 2668 B5R0.5 CC(C)[C@H](C)O MCULE-8141633445 [1,1,0,0,0,0|1,0,1]=4 2669 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [1,1,0,0,0,0|2,0,0]=4 2670 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [1,1,0,0,0,0|2,0,0]=4 2671 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,1,0,0,0,0|1,0,0]=3 2672 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,1,0,0,0,0|1,0,0]=3 2673 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,1,0,0,0,0|0,0,0]=2 2674 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,1,0,0,0,0|0,0,0]=2 2675 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,1,0,0,0,0|0,0,0]=2 2676 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,1,0,0,0,0|1,0,0]=3 2677 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,1,0,0,0,0|1,0,0]=3 2678 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,1,0,0,0,0|1,0,0]=3 2679 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,1,0,0,0,0|1,0,0]=3 2680 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,1,0,0,0,0|1,0,0]=3 2681 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,1,0,0,0,0|1,0,0]=3 2682 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,1,0,0,0,0|1,0,0]=3 2683 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,1,0,0,0,0|0,0,0]=2 2684 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,1,0,0,0,0|0,0,0]=2 2685 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,1,0,0,0,0|0,0,0]=2 2686 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,1,0,0,0,0|0,0,0]=2 2687 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,1,0,0,0,0|1,0,1]=4 2688 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,1,0,0,0,0|1,0,1]=4 2689 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,1,0,0,0,0|2,0,0]=4 2690 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,1,0,0,0,0|2,0,0]=4 2691 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,1,0,0,0,0|1,0,0]=3 2692 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,1,0,0,0,0|1,0,0]=3 2693 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,1,0,0,0,0|0,0,0]=2 2694 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,1,0,0,0,0|0,0,0]=2 2695 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,1,0,0,0,0|0,0,1]=3 2696 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,1,0,0,0,0|0,0,1]=3 2697 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,1,0,0,0,0|0,0,1]=3 2698 B5R0.5 CC(O)C(C)Br MCULE-1140424623 [1,1,0,0,0,0|1,0,1]=4 2699 B5R0.5 CC(O)C(C)Cl MCULE-3352632568 [1,1,0,0,0,0|1,0,1]=4 2700 B5R0.5 CC(O)C(C)O MCULE-2858785316 [1,1,0,0,0,0|1,0,1]=4 2701 B5R0.5 CC(O)C(C)S MCULE-3741743569 [1,1,0,0,0,0|1,0,1]=4 2702 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,1,0,0,0,0|1,0,0]=3 2703 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,1,0,0,0,0|0,0,0]=2 2704 B5R0.5 CN(C)C(=O)Cl MCULE-1738506605 [1,1,0,0,0,0|2,0,0]=4 2705 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,1,0,0,0,0|2,0,0]=4 2706 B5R0.5 CN(C)C(=O)O MCULE-1039144559 [1,1,0,0,0,0|1,0,0]=3 2707 B5R0.5 CN(C)C(=O)[O-] MCULE-5405204721 [1,1,0,0,0,0|1,0,1]=4 2708 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,1,0,0,0,0|2,0,0]=4 2709 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,1,0,0,0,0|0,0,0]=2 2710 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,1,0,0,0,0|0,0,0]=2 2711 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,1,0,0,0,0|1,0,0]=3 2712 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,1,0,0,0,0|0,0,0]=2 2713 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,1,0,0,0,0|0,0,0]=2 2714 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,1,0,0,0,0|1,0,0]=3 2715 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,1,0,0,0,0|1,0,0]=3 2716 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,1,0,0,0,0|1,0,0]=3 2717 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,1,0,0,0,0|1,0,0]=3 2718 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,1,0,0,0,0|1,0,0]=3 2719 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,1,0,0,0,0|0,0,0]=2 2720 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,1,0,0,0,0|0,0,0]=2 2721 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,1,0,0,0,0|1,0,1]=4 2722 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,1,0,0,0,0|1,0,1]=4 2723 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,1,0,0,0,0|1,0,1]=4 2724 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,1,0,0,0,0|1,0,1]=4 2725 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,1,0,0,0,0|1,0,1]=4 2726 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,1,0,0,0,0|2,0,0]=4 2727 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,1,0,0,0,0|2,0,0]=4 2728 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,1,0,0,0,0|2,0,0]=4 2729 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,1,0,0,0,0|2,0,0]=4 2730 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,1,0,0,0,0|1,0,0]=3 2731 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,1,0,0,0,0|1,0,0]=3 2732 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,1,0,0,0,0|0,0,0]=2 2733 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,1,0,0,0,0|0,0,0]=2 2734 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,1,0,0,0,0|0,0,1]=3 2735 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,1,0,0,0,0|0,0,1]=3 2736 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,1,0,0,0,0|0,0,1]=3 2737 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-2843927827 [1,1,0,0,0,0|1,0,1]=4 2738 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-3739961672 [1,1,0,0,0,0|1,0,1]=4 2739 B5R0.5 C[C@@H](O)[C@@H](C)O MCULE-5488313047 [1,1,0,0,0,0|1,0,1]=4 2740 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,1,0,0,0,0|1,0,0]=3 2741 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,1,0,0,0,0|0,0,0]=2 2742 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,1,0,0,0,0|0,0,0]=2 2743 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,1,0,0,0,0|0,0,0]=2 2744 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,1,0,0,0,0|0,0,0]=2 2745 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,1,0,0,0,0|1,0,0]=3 2746 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,1,0,0,0,0|1,0,0]=3 2747 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,1,0,0,0,0|1,0,0]=3 2748 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,1,0,0,0,0|1,0,0]=3 2749 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,1,0,0,0,0|1,0,0]=3 2750 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,1,0,0,0,0|1,0,0]=3 2751 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,1,0,0,0,0|1,0,0]=3 2752 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,1,0,0,0,0|1,0,0]=3 2753 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,1,0,0,0,0|1,0,0]=3 2754 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,1,0,0,0,0|0,0,0]=2 2755 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,1,0,0,0,0|0,0,0]=2 2756 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,1,0,0,0,0|0,0,0]=2 2757 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,1,0,0,0,0|0,0,0]=2 2758 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,1,0,0,0,0|1,0,1]=4 2759 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,1,0,0,0,0|1,0,1]=4 2760 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,1,0,0,0,0|1,0,1]=4 2761 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,1,0,0,0,0|1,0,1]=4 2762 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,1,0,0,0,0|1,0,1]=4 2763 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,1,0,0,0,0|1,0,1]=4 2764 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,1,0,0,0,0|1,0,0]=3 2765 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,1,0,0,0,0|0,0,0]=2 2766 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,1,0,0,0,0|0,0,0]=2 2767 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,1,0,0,0,0|0,0,1]=3 2768 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,1,0,0,0,0|0,0,1]=3 2769 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,1,0,0,0,0|0,0,1]=3 2770 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,1,0,0,0,0|0,0,1]=3 2771 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,1,0,0,0,0|0,0,1]=3 2772 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,1,0,0,0,0|1,0,1]=4 2773 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,1,0,0,0,0|1,0,1]=4 2774 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,1,0,0,0,0|1,0,1]=4 2775 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,1,0,0,0,0|1,0,1]=4 2776 B5R0.5 C[C@H](O)[C@@H](C)O MCULE-8389904530 [1,1,0,0,0,0|1,0,1]=4 2777 B5R0.5 C[C@H](O)[C@H](C)O MCULE-8448870055 [1,1,0,0,0,0|1,0,1]=4 2778 B5R0.5 C[C@H](O)[C@H](C)O MCULE-9615630900 [1,1,0,0,0,0|1,0,1]=4 2779 B5R0.5 C[C@H](S)[C@@H](C)O MCULE-3347141817 [1,1,0,0,0,0|1,0,1]=4 2780 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [1,1,0,0,0,0|1,0,1]=4 2781 B5R0.5 NC(=O)C(=O)N MCULE-9024594322 [1,1,0,0,0,0|1,0,1]=4 2782 B5R0.5 NC(=O)C(=O)O MCULE-4442165428 [1,1,0,0,0,0|0,0,1]=3 2783 B5R0.5 NC(=O)C(=O)[O-] MCULE-6520154385 [1,1,0,0,0,0|0,0,2]=4 2784 B5R0.5 NC(=O)C(=O)[O-] MCULE-9489956613 [1,1,0,0,0,0|0,0,2]=4 2785 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [1,1,0,0,0,0|2,0,0]=4 2786 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [1,1,0,0,0,0|2,0,0]=4 2787 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [1,1,0,0,0,0|2,0,0]=4 2788 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [1,1,0,0,0,0|2,0,0]=4 2789 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [1,1,0,0,0,0|2,0,0]=4 2790 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [1,1,0,0,0,0|2,0,0]=4 2791 B5R0.5 NC(O)C(=O)O MCULE-6546070388 [1,1,0,0,0,0|0,0,0]=2 2792 B5R0.5 O=C(Cl)C(Cl)Cl MCULE-2883143305 [1,1,0,0,0,0|2,0,0]=4 2793 B5R0.5 O=C(Cl)C(F)Cl MCULE-1579940277 [1,1,0,0,0,0|2,0,0]=4 2794 B5R0.5 O=C(Cl)C(F)F MCULE-6700400389 [1,1,0,0,0,0|2,0,0]=4 2795 B5R0.5 O=C(F)C(F)F MCULE-6722746663 [1,1,0,0,0,0|2,0,0]=4 2796 B5R0.5 O=C(O)C(=O)O MCULE-2859436444 [1,1,0,0,0,0|1,0,1]=4 2797 B5R0.5 O=C(O)C(=O)O MCULE-3054574273 [1,1,0,0,0,0|1,0,1]=4 2798 B5R0.5 O=C(O)C(=O)O MCULE-4285591204 [1,1,0,0,0,0|1,0,1]=4 2799 B5R0.5 O=C(O)C(=O)O MCULE-4461843798 [1,1,0,0,0,0|1,0,1]=4 2800 B5R0.5 O=C(O)C(=O)O MCULE-6031758101 [1,1,0,0,0,0|1,0,1]=4 2801 B5R0.5 O=C(O)C(=O)O MCULE-6647815245 [1,1,0,0,0,0|1,0,1]=4 2802 B5R0.5 O=C(O)C(=O)O MCULE-7895971003 [1,1,0,0,0,0|1,0,1]=4 2803 B5R0.5 O=C(O)C(=O)O MCULE-8046063377 [1,1,0,0,0,0|1,0,1]=4 2804 B5R0.5 O=C(O)C(=O)O MCULE-8198551041 [1,1,0,0,0,0|1,0,1]=4 2805 B5R0.5 O=C(O)C(=O)O MCULE-8472527874 [1,1,0,0,0,0|1,0,1]=4 2806 B5R0.5 O=C(O)C(=O)O MCULE-9701145416 [1,1,0,0,0,0|1,0,1]=4 2807 B5R0.5 O=C(O)C(Br)Br MCULE-4908900588 [1,1,0,0,0,0|1,0,0]=3 2808 B5R0.5 O=C(O)C(Cl)Br MCULE-4569127340 [1,1,0,0,0,0|1,0,0]=3 2809 B5R0.5 O=C(O)C(Cl)Cl MCULE-1246638159 [1,1,0,0,0,0|1,0,0]=3 2810 B5R0.5 O=C(O)C(F)Br MCULE-5639771935 [1,1,0,0,0,0|1,0,0]=3 2811 B5R0.5 O=C(O)C(F)Cl MCULE-8791727704 [1,1,0,0,0,0|1,0,0]=3 2812 B5R0.5 O=C(O)C(F)F MCULE-9791449975 [1,1,0,0,0,0|1,0,0]=3 2813 B5R0.5 O=C(O)C(F)I MCULE-2596137309 [1,1,0,0,0,0|1,0,0]=3 2814 B5R0.5 O=C(O)C(O)O MCULE-8045135900 [1,1,0,0,0,0|1,0,0]=3 2815 B5R0.5 O=C(O)[C@@H](F)Cl MCULE-9934674808 [1,1,0,0,0,0|1,0,0]=3 2816 B5R0.5 O=C(O)[C@H](F)Cl MCULE-8184552815 [1,1,0,0,0,0|1,0,0]=3 2817 B5R0.5 O=C([O-])C(F)Br MCULE-3214706920 [1,1,0,0,0,0|1,0,1]=4 2818 B5R0.5 O=C([O-])C(F)Cl MCULE-6121365584 [1,1,0,0,0,0|1,0,1]=4 2819 B5R0.5 O=C([O-])C(F)I MCULE-5263796115 [1,1,0,0,0,0|1,0,1]=4 2820 B5R0.5 O=S(O)C(F)F MCULE-6110273161 [1,1,0,0,0,0|2,0,0]=4 2821 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,1,0,0,0,0|1,0,0]=3 2822 B5R0.2 C#CCCC=C MCULE-4858099861 [1,1,0,0,0,0|2,0,0]=4 2823 B5R0.2 C#CCCC=O MCULE-9994552907 [1,1,0,0,0,0|1,0,0]=3 2824 B5R0.2 C#CCCCN MCULE-3191305523 [1,1,0,0,0,0|1,0,1]=4 2825 B5R0.2 C#CCCCN MCULE-3259677872 [1,1,0,0,0,0|1,0,1]=4 2826 B5R0.2 C#CCCCO MCULE-6360852809 [1,1,0,0,0,0|1,0,1]=4 2827 B5R0.2 C#CCCNC MCULE-1590490287 [1,1,0,0,0,0|1,0,1]=4 2828 B5R0.2 C#CCCNC MCULE-4004733974 [1,1,0,0,0,0|1,0,1]=4 2829 B5R0.2 C#CCCNC MCULE-7566671614 [1,1,0,0,0,0|1,0,1]=4 2830 B5R0.2 C(=CCCl)CN MCULE-8092426171 [1,1,0,0,0,0|1,0,1]=4 2831 B5R0.2 C(=CCCl)CN MCULE-9706120646 [1,1,0,0,0,0|1,0,1]=4 2832 B5R0.2 C(=C\CCl)\CN MCULE-3474871402 [1,1,0,0,0,0|1,0,1]=4 2833 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,1,0,0,0,0|2,0,0]=4 2834 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,1,0,0,0,0|2,0,0]=4 2835 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,1,0,0,0,0|2,0,0]=4 2836 B5R0.2 C=C=CCCBr MCULE-5561919067 [1,1,0,0,0,0|2,0,0]=4 2837 B5R0.2 C=C=CCCI MCULE-7583015374 [1,1,0,0,0,0|2,0,0]=4 2838 B5R0.2 C=C=CCCN MCULE-5814175873 [1,1,0,0,0,0|1,0,0]=3 2839 B5R0.2 C=C=CCCN MCULE-8177198091 [1,1,0,0,0,0|1,0,0]=3 2840 B5R0.2 C=C=CCCO MCULE-1054355649 [1,1,0,0,0,0|2,0,0]=4 2841 B5R0.2 C=CCCC#N MCULE-8967750268 [1,1,0,0,0,0|1,0,1]=4 2842 B5R0.2 C=CCCC=C MCULE-2599309974 [1,1,0,0,0,0|2,0,0]=4 2843 B5R0.2 C=CCCC=O MCULE-7850336174 [1,1,0,0,0,0|1,0,0]=3 2844 B5R0.2 C=CCCCBr MCULE-5027518679 [1,1,0,0,0,0|2,0,0]=4 2845 B5R0.2 C=CCCCC MCULE-4750698031 [1,1,0,0,0,0|2,0,0]=4 2846 B5R0.2 C=CCCCCl MCULE-3877430809 [1,1,0,0,0,0|2,0,0]=4 2847 B5R0.2 C=CCCCI MCULE-8692831514 [1,1,0,0,0,0|2,0,0]=4 2848 B5R0.2 C=CCCCN MCULE-5787926547 [1,1,0,0,0,0|1,0,0]=3 2849 B5R0.2 C=CCCCN MCULE-7346989227 [1,1,0,0,0,0|1,0,0]=3 2850 B5R0.2 C=CCCCO MCULE-5946342321 [1,1,0,0,0,0|1,0,1]=4 2851 B5R0.2 C=CCCNC MCULE-2124263362 [1,1,0,0,0,0|1,0,0]=3 2852 B5R0.2 C=CCCNC MCULE-5024925990 [1,1,0,0,0,0|1,0,0]=3 2853 B5R0.2 C=CCCOC MCULE-4681354270 [1,1,0,0,0,0|2,0,0]=4 2854 B5R0.2 C=CCCON MCULE-3476228435 [1,1,0,0,0,0|1,0,0]=3 2855 B5R0.2 C=CCCON MCULE-9206052895 [1,1,0,0,0,0|1,0,0]=3 2856 B5R0.2 C=CCNC=O MCULE-1911798514 [1,1,0,0,0,0|1,0,1]=4 2857 B5R0.2 C=CCNCC MCULE-6987567673 [1,1,0,0,0,0|2,0,0]=4 2858 B5R0.2 C=CCNCC MCULE-8318544337 [1,1,0,0,0,0|2,0,0]=4 2859 B5R0.2 C=CCOC=O MCULE-4161785970 [1,1,0,0,0,0|1,0,1]=4 2860 B5R0.2 C=CCOCC MCULE-4363356618 [1,1,0,0,0,0|2,0,0]=4 2861 B5R0.2 C=CCOCCl MCULE-6656252526 [1,1,0,0,0,0|2,0,0]=4 2862 B5R0.2 C=CCONC MCULE-4537899476 [1,1,0,0,0,0|2,0,0]=4 2863 B5R0.2 C=CCONC MCULE-9645204142 [1,1,0,0,0,0|2,0,0]=4 2864 B5R0.2 C=CCSCC MCULE-3816911529 [1,1,0,0,0,0|2,0,0]=4 2865 B5R0.2 C=COCCC MCULE-4423853666 [1,1,0,0,0,0|2,0,0]=4 2866 B5R0.2 C=COCCCl MCULE-7782311030 [1,1,0,0,0,0|2,0,0]=4 2867 B5R0.2 C=COCCN MCULE-8052872924 [1,1,0,0,0,0|1,0,0]=3 2868 B5R0.2 C=COCCN MCULE-8496820259 [1,1,0,0,0,0|1,0,0]=3 2869 B5R0.2 C=COCCO MCULE-9383372818 [1,1,0,0,0,0|2,0,0]=4 2870 B5R0.2 CC#CCC=O MCULE-6071390808 [1,1,0,0,0,0|1,0,1]=4 2871 B5R0.2 CC#CCCN MCULE-2130545109 [1,1,0,0,0,0|1,0,1]=4 2872 B5R0.2 CC#CCCN MCULE-7156357315 [1,1,0,0,0,0|1,0,1]=4 2873 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,1,0,0,0,0|1,0,1]=4 2874 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,1,0,0,0,0|1,0,1]=4 2875 B5R0.2 CC=CCCBr MCULE-7329159278 [1,1,0,0,0,0|2,0,0]=4 2876 B5R0.2 CC=CCCC MCULE-8736231124 [1,1,0,0,0,0|2,0,0]=4 2877 B5R0.2 CC=CCCN MCULE-5129102475 [1,1,0,0,0,0|1,0,0]=3 2878 B5R0.2 CC=CCCN MCULE-8500001929 [1,1,0,0,0,0|1,0,0]=3 2879 B5R0.2 CC=CCCO MCULE-4302367089 [1,1,0,0,0,0|2,0,0]=4 2880 B5R0.2 CCC#CC=O MCULE-3889262436 [1,1,0,0,0,0|1,0,1]=4 2881 B5R0.2 CCC=CC=O MCULE-1318250395 [1,1,0,0,0,0|1,0,1]=4 2882 B5R0.2 CCC=CCO MCULE-5633399984 [1,1,0,0,0,0|1,0,1]=4 2883 B5R0.2 CCCC=NO MCULE-7364375780 [1,1,0,0,0,0|1,0,0]=3 2884 B5R0.2 CCCCC=O MCULE-4736782822 [1,1,0,0,0,0|1,0,0]=3 2885 B5R0.2 CCCCCN MCULE-3371742982 [1,1,0,0,0,0|1,0,1]=4 2886 B5R0.2 CCCCCN MCULE-4371067300 [1,1,0,0,0,0|1,0,1]=4 2887 B5R0.2 CCCCCN MCULE-6547961798 [1,1,0,0,0,0|1,0,1]=4 2888 B5R0.2 CCCCCN MCULE-7483248760 [1,1,0,0,0,0|1,0,1]=4 2889 B5R0.2 CCCCCO MCULE-8714292632 [1,1,0,0,0,0|1,0,1]=4 2890 B5R0.2 CCCCNC MCULE-9321610906 [1,1,0,0,0,0|1,0,1]=4 2891 B5R0.2 CCCCNN MCULE-6681305566 [1,1,0,0,0,0|1,0,1]=4 2892 B5R0.2 CCCCNN MCULE-6890760890 [1,1,0,0,0,0|1,0,1]=4 2893 B5R0.2 CCCCNN MCULE-7362497327 [1,1,0,0,0,0|1,0,1]=4 2894 B5R0.2 CCCCNN MCULE-8463623644 [1,1,0,0,0,0|1,0,1]=4 2895 B5R0.2 CCCCNO MCULE-1911206569 [1,1,0,0,0,0|1,0,1]=4 2896 B5R0.2 CCCCNO MCULE-3820646216 [1,1,0,0,0,0|1,0,1]=4 2897 B5R0.2 CCCCOC MCULE-9814272675 [1,1,0,0,0,0|1,0,1]=4 2898 B5R0.2 CCCCON MCULE-7582349983 [1,1,0,0,0,0|1,0,1]=4 2899 B5R0.2 CCCCON MCULE-8175627798 [1,1,0,0,0,0|1,0,1]=4 2900 B5R0.2 CCCN=C=O MCULE-9014468293 [1,1,0,0,0,0|1,0,1]=4 2901 B5R0.2 CCCNC=O MCULE-6344556391 [1,1,0,0,0,0|1,0,0]=3 2902 B5R0.2 CCCOC=O MCULE-3133604529 [1,1,0,0,0,0|1,0,0]=3 2903 B5R0.2 CCNCCN MCULE-7854769899 [1,1,0,0,0,0|1,0,1]=4 2904 B5R0.2 CCNCCO MCULE-2537734730 [1,1,0,0,0,0|1,0,1]=4 2905 B5R0.2 CCNCCO MCULE-3738714907 [1,1,0,0,0,0|1,0,1]=4 2906 B5R0.2 CCOCCN MCULE-1254431240 [1,1,0,0,0,0|1,0,1]=4 2907 B5R0.2 CCOCCN MCULE-4039110889 [1,1,0,0,0,0|1,0,1]=4 2908 B5R0.2 CCOCCN MCULE-4400456933 [1,1,0,0,0,0|1,0,1]=4 2909 B5R0.2 CCOCCO MCULE-4311513289 [1,1,0,0,0,0|1,0,1]=4 2910 B5R0.2 CCSCC=O MCULE-8069035019 [1,1,0,0,0,0|1,0,0]=3 2911 B5R0.2 CCSCCN MCULE-3375644872 [1,1,0,0,0,0|1,0,1]=4 2912 B5R0.2 CCSCCN MCULE-4466279976 [1,1,0,0,0,0|1,0,1]=4 2913 B5R0.2 CCSCCO MCULE-3557086162 [1,1,0,0,0,0|1,0,1]=4 2914 B5R0.2 CNCCC#N MCULE-6686234290 [1,1,0,0,0,0|1,0,1]=4 2915 B5R0.2 CNCCCBr MCULE-3376600253 [1,1,0,0,0,0|1,0,1]=4 2916 B5R0.2 CNCCCBr MCULE-6212326106 [1,1,0,0,0,0|1,0,1]=4 2917 B5R0.2 CNCCCCl MCULE-1007719210 [1,1,0,0,0,0|1,0,1]=4 2918 B5R0.2 CNCCCCl MCULE-6146901643 [1,1,0,0,0,0|1,0,1]=4 2919 B5R0.2 CNCCCF MCULE-7647417887 [1,1,0,0,0,0|1,0,1]=4 2920 B5R0.2 CNCCCN MCULE-1736081896 [1,1,0,0,0,0|1,0,1]=4 2921 B5R0.2 CNCCCO MCULE-9530478547 [1,1,0,0,0,0|0,0,1]=3 2922 B5R0.2 CNCCNC MCULE-1378979868 [1,1,0,0,0,0|2,0,0]=4 2923 B5R0.2 CNCCNC MCULE-3281508478 [1,1,0,0,0,0|2,0,0]=4 2924 B5R0.2 CNCCOC MCULE-2857904484 [1,1,0,0,0,0|2,0,0]=4 2925 B5R0.2 CNCCOC MCULE-5342712496 [1,1,0,0,0,0|2,0,0]=4 2926 B5R0.2 CNCCSC MCULE-2812984399 [1,1,0,0,0,0|2,0,0]=4 2927 B5R0.2 CNCCSC MCULE-2942435951 [1,1,0,0,0,0|2,0,0]=4 2928 B5R0.2 CNOCCN MCULE-3163962093 [1,1,0,0,0,0|2,0,0]=4 2929 B5R0.2 CNOCCN MCULE-7379538500 [1,1,0,0,0,0|2,0,0]=4 2930 B5R0.2 COCCC=O MCULE-2812117208 [1,1,0,0,0,0|1,0,0]=3 2931 B5R0.2 COCCCBr MCULE-6489536401 [1,1,0,0,0,0|1,0,1]=4 2932 B5R0.2 COCCCCl MCULE-9192274624 [1,1,0,0,0,0|1,0,1]=4 2933 B5R0.2 COCCCF MCULE-5055725246 [1,1,0,0,0,0|1,0,1]=4 2934 B5R0.2 COCCCI MCULE-9111605439 [1,1,0,0,0,0|1,0,1]=4 2935 B5R0.2 COCCCN MCULE-1421362990 [1,1,0,0,0,0|0,0,1]=3 2936 B5R0.2 COCCCN MCULE-4783132205 [1,1,0,0,0,0|0,0,1]=3 2937 B5R0.2 COCCCO MCULE-4041418048 [1,1,0,0,0,0|1,0,1]=4 2938 B5R0.2 COCCCS MCULE-2371333731 [1,1,0,0,0,0|1,0,1]=4 2939 B5R0.2 COCCNN MCULE-2086510453 [1,1,0,0,0,0|1,0,1]=4 2940 B5R0.2 COCCNN MCULE-4830987822 [1,1,0,0,0,0|1,0,1]=4 2941 B5R0.2 COCCNN MCULE-8361975855 [1,1,0,0,0,0|1,0,1]=4 2942 B5R0.2 COCCON MCULE-3507489398 [1,1,0,0,0,0|1,0,1]=4 2943 B5R0.2 COCCON MCULE-8506879697 [1,1,0,0,0,0|1,0,1]=4 2944 B5R0.2 CONCCN MCULE-3332727097 [1,1,0,0,0,0|1,0,0]=3 2945 B5R0.2 CONCCN MCULE-5066538639 [1,1,0,0,0,0|1,0,0]=3 2946 B5R0.2 CONCCO MCULE-9787830121 [1,1,0,0,0,0|2,0,0]=4 2947 B5R0.2 CSCCC=O MCULE-6273241704 [1,1,0,0,0,0|1,0,0]=3 2948 B5R0.2 CSCCCN MCULE-1030938424 [1,1,0,0,0,0|0,1,1]=4 2949 B5R0.2 CSCCCN MCULE-4664984921 [1,1,0,0,0,0|0,1,1]=4 2950 B5R0.2 CSCCCO MCULE-9232413185 [1,1,0,0,0,0|1,0,1]=4 2951 B5R0.2 CSCCON MCULE-9125601960 [1,1,0,0,0,0|2,0,0]=4 2952 B5R0.2 CSSCCN MCULE-7065189564 [1,1,0,0,0,0|1,1,0]=4 2953 B5R0.2 CSSCCN MCULE-8654200268 [1,1,0,0,0,0|1,1,0]=4 2954 B5R0.2 N#CCCC=O MCULE-9521735106 [1,1,0,0,0,0|0,0,1]=3 2955 B5R0.2 N#CCCCN MCULE-7159177087 [1,1,0,0,0,0|1,0,1]=4 2956 B5R0.2 N#CCCCN MCULE-8406710235 [1,1,0,0,0,0|1,0,1]=4 2957 B5R0.2 N#CCCCO MCULE-2108386837 [1,1,0,0,0,0|0,0,2]=4 2958 B5R0.2 N#CCCNN MCULE-2873114425 [1,1,0,0,0,0|1,0,1]=4 2959 B5R0.2 N#CCCON MCULE-4242787851 [1,1,0,0,0,0|1,0,1]=4 2960 B5R0.2 N#CCCON MCULE-9943219810 [1,1,0,0,0,0|1,0,1]=4 2961 B5R0.2 N#CCOC=O MCULE-4453241991 [1,1,0,0,0,0|0,0,2]=4 2962 B5R0.2 N#N=NCC=O MCULE-8370335984 [1,1,0,0,0,0|1,0,1]=4 2963 B5R0.2 N#N=NCCN MCULE-2129393630 [1,1,0,0,0,0|2,0,0]=4 2964 B5R0.2 N#N=NCCN MCULE-2260153271 [1,1,0,0,0,0|2,0,0]=4 2965 B5R0.2 NC/C=C/CN MCULE-3194321905 [1,1,0,0,0,0|1,0,1]=4 2966 B5R0.2 NC/C=C/CN MCULE-8357316852 [1,1,0,0,0,0|1,0,1]=4 2967 B5R0.2 NC/C=C\CCl MCULE-7895966955 [1,1,0,0,0,0|1,0,1]=4 2968 B5R0.2 NC/C=C\CN MCULE-6310541400 [1,1,0,0,0,0|1,0,1]=4 2969 B5R0.2 NC/C=C\CN MCULE-8765736519 [1,1,0,0,0,0|1,0,1]=4 2970 B5R0.2 NCC#CCO MCULE-4844677613 [1,1,0,0,0,0|0,0,2]=4 2971 B5R0.2 NCC#CCO MCULE-9095239812 [1,1,0,0,0,0|0,0,2]=4 2972 B5R0.2 NCC=CCN MCULE-3768809289 [1,1,0,0,0,0|1,0,1]=4 2973 B5R0.2 NCC=CCN MCULE-4004493343 [1,1,0,0,0,0|1,0,1]=4 2974 B5R0.2 NCC=CCN MCULE-6780035248 [1,1,0,0,0,0|1,0,1]=4 2975 B5R0.2 NCC=CCO MCULE-4993379992 [1,1,0,0,0,0|0,0,1]=3 2976 B5R0.2 NCCCCBr MCULE-7095299053 [1,1,0,0,0,0|1,0,1]=4 2977 B5R0.2 NCCCCBr MCULE-7716027825 [1,1,0,0,0,0|1,0,1]=4 2978 B5R0.2 NCCCCCl MCULE-8484381726 [1,1,0,0,0,0|1,0,1]=4 2979 B5R0.2 NCCCCCl MCULE-9917306082 [1,1,0,0,0,0|1,0,1]=4 2980 B5R0.2 NCCCCF MCULE-4260727945 [1,1,0,0,0,0|1,0,1]=4 2981 B5R0.2 NCCCCF MCULE-7716720921 [1,1,0,0,0,0|1,0,1]=4 2982 B5R0.2 NCCCCN MCULE-3098044935 [1,1,0,0,0,0|1,0,1]=4 2983 B5R0.2 NCCCCN MCULE-7898833229 [1,1,0,0,0,0|1,0,1]=4 2984 B5R0.2 NCCCCN MCULE-8029479697 [1,1,0,0,0,0|1,0,1]=4 2985 B5R0.2 NCCCCN MCULE-8509656776 [1,1,0,0,0,0|1,0,1]=4 2986 B5R0.2 NCCCCO MCULE-7395674091 [1,1,0,0,0,0|0,0,1]=3 2987 B5R0.2 NCCCCS MCULE-4353910418 [1,1,0,0,0,0|0,1,1]=4 2988 B5R0.2 NCCCCS MCULE-9812416858 [1,1,0,0,0,0|0,1,1]=4 2989 B5R0.2 NCCCNN MCULE-7657257572 [1,1,0,0,0,0|1,0,1]=4 2990 B5R0.2 NCCCON MCULE-1071170242 [1,1,0,0,0,0|0,0,1]=3 2991 B5R0.2 NCCCON MCULE-7767315563 [1,1,0,0,0,0|0,0,1]=3 2992 B5R0.2 NNCCCO MCULE-5557482626 [1,1,0,0,0,0|0,0,1]=3 2993 B5R0.2 NNCCCO MCULE-7351853032 [1,1,0,0,0,0|0,0,1]=3 2994 B5R0.2 NNCCCO MCULE-7919314403 [1,1,0,0,0,0|0,0,1]=3 2995 B5R0.2 NOC/C=C/Cl MCULE-3781481075 [1,1,0,0,0,0|1,0,1]=4 2996 B5R0.2 NOC/C=C/Cl MCULE-8874475488 [1,1,0,0,0,0|1,0,1]=4 2997 B5R0.2 NOCC=CCl MCULE-5233830243 [1,1,0,0,0,0|1,0,1]=4 2998 B5R0.2 NOCC=CCl MCULE-7677577759 [1,1,0,0,0,0|1,0,1]=4 2999 B5R0.2 NOCCCO MCULE-1072312935 [1,1,0,0,0,0|0,0,1]=3 3000 B5R0.2 NOCCCO MCULE-3715520109 [1,1,0,0,0,0|0,0,1]=3 3001 B5R0.2 NOCCCS MCULE-2063976508 [1,1,0,0,0,0|0,1,1]=4 3002 B5R0.2 NOCCCS MCULE-3464018652 [1,1,0,0,0,0|0,1,1]=4 3003 B5R0.2 NOCCON MCULE-2027662613 [1,1,0,0,0,0|1,0,1]=4 3004 B5R0.2 NOCCON MCULE-3458073239 [1,1,0,0,0,0|1,0,1]=4 3005 B5R0.2 O=C=NCCBr MCULE-9707894644 [1,1,0,0,0,0|1,0,1]=4 3006 B5R0.2 O=C=NCCCl MCULE-8919918461 [1,1,0,0,0,0|1,0,1]=4 3007 B5R0.2 O=CCCC=O MCULE-3362810468 [1,1,0,0,0,0|1,0,0]=3 3008 B5R0.2 O=CCCC=O MCULE-3813951568 [1,1,0,0,0,0|1,0,0]=3 3009 B5R0.2 O=CCCCBr MCULE-7239613396 [1,1,0,0,0,0|1,0,0]=3 3010 B5R0.2 O=CCCCCl MCULE-3011225716 [1,1,0,0,0,0|1,0,0]=3 3011 B5R0.2 O=CCCCI MCULE-3153720790 [1,1,0,0,0,0|1,0,0]=3 3012 B5R0.2 O=CCCCO MCULE-8728420992 [1,1,0,0,0,0|1,0,0]=3 3013 B5R0.2 O=CNCCO MCULE-3688614090 [1,1,0,0,0,0|1,0,0]=3 3014 B5R0.2 O=COCCO MCULE-1922672843 [1,1,0,0,0,0|1,0,0]=3 3015 B5R0.2 OC/C=C/CCl MCULE-4378785113 [1,1,0,0,0,0|1,0,1]=4 3016 B5R0.2 OC/C=C/CO MCULE-4752272005 [1,1,0,0,0,0|1,0,1]=4 3017 B5R0.2 OC/C=C\CO MCULE-2695577582 [1,1,0,0,0,0|1,0,1]=4 3018 B5R0.2 OC=CCCBr MCULE-3964604828 [1,1,0,0,0,0|1,0,0]=3 3019 B5R0.2 OC=CCCBr MCULE-5728835735 [1,1,0,0,0,0|1,0,0]=3 3020 B5R0.2 OCC=CCCl MCULE-7597942117 [1,1,0,0,0,0|1,0,1]=4 3021 B5R0.2 OCC=CCO MCULE-9559211408 [1,1,0,0,0,0|1,0,1]=4 3022 B5R0.2 OCCCCBr MCULE-9231591925 [1,1,0,0,0,0|1,0,1]=4 3023 B5R0.2 OCCCCCl MCULE-3507644812 [1,1,0,0,0,0|1,0,1]=4 3024 B5R0.2 OCCCCF MCULE-9242285588 [1,1,0,0,0,0|1,0,1]=4 3025 B5R0.2 OCCCCI MCULE-8723720522 [1,1,0,0,0,0|1,0,1]=4 3026 B5R0.2 OCCCCO MCULE-2010022287 [1,1,0,0,0,0|1,0,1]=4 3027 B5R0.2 OCCCCO MCULE-6551106098 [1,1,0,0,0,0|1,0,1]=4 3028 B5R0.2 OCCCCS MCULE-8169490949 [1,1,0,0,0,0|1,0,1]=4 3029 B5R0.2 OCCNCO MCULE-2141033453 [1,1,0,0,0,0|1,0,1]=4 3030 B7R0.2 C#CC(C)CC(=O)O MCULE-8780802803 [0,2,0,0,0,0|1,0,0]=3 3031 B7R0.2 C(O)(CN)CC(=O)O MCULE-8378388788 [0,2,0,0,0,0|0,0,0]=2 3032 B7R0.2 C/C(=N\O)/CC(C)C MCULE-1223937315 [0,2,0,0,0,0|2,0,0]=4 3033 B7R0.2 C=C(C)CC(N)CO MCULE-9114906744 [0,2,0,0,0,0|2,0,0]=4 3034 B7R0.2 C=CC(=O)CC(C)C MCULE-2912404970 [0,2,0,0,0,0|2,0,0]=4 3035 B7R0.2 C=CC(C)CC(=O)O MCULE-4817084034 [0,2,0,0,0,0|1,0,0]=3 3036 B7R0.2 C=CC(N)CC(=O)O MCULE-1733618438 [0,2,0,0,0,0|0,0,0]=2 3037 B7R0.2 C=CC(N)CC(=O)O MCULE-9636299966 [0,2,0,0,0,0|0,0,0]=2 3038 B7R0.2 C=CC(O)CC(=O)O MCULE-2383393271 [0,2,0,0,0,0|1,0,0]=3 3039 B7R0.2 CC(=NO)CC(C)C MCULE-1446840557 [0,2,0,0,0,0|2,0,0]=4 3040 B7R0.2 CC(=O)NC(C)CN MCULE-4226474809 [0,2,0,0,0,0|1,0,0]=3 3041 B7R0.2 CC(=O)NC(C)CN MCULE-7570690280 [0,2,0,0,0,0|1,0,0]=3 3042 B7R0.2 CC(=O)NC(C)CO MCULE-9455210462 [0,2,0,0,0,0|2,0,0]=4 3043 B7R0.2 CC(=O)N[C@H](C)CO MCULE-2174899443 [0,2,0,0,0,0|2,0,0]=4 3044 B7R0.2 CC(=O)N[C@H](C)CO MCULE-5097293473 [0,2,0,0,0,0|2,0,0]=4 3045 B7R0.2 CC(=O)OC(Br)CBr MCULE-7215936142 [0,2,0,0,0,0|2,0,0]=4 3046 B7R0.2 CC(C)C/C(=N/O)/N MCULE-1815154611 [0,2,0,0,0,0|2,0,0]=4 3047 B7R0.2 CC(C)CC(=O)C#N MCULE-7628756423 [0,2,0,0,0,0|2,0,0]=4 3048 B7R0.2 CC(C)CC(=O)CBr MCULE-3556695745 [0,2,0,0,0,0|2,0,0]=4 3049 B7R0.2 CC(C)CC(=O)CCl MCULE-6858533367 [0,2,0,0,0,0|2,0,0]=4 3050 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,2,0,0,0,0|2,0,0]=4 3051 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,2,0,0,0,0|2,0,0]=4 3052 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [0,2,0,0,0,0|2,0,0]=4 3053 B7R0.2 CC(C)NC(=O)CO MCULE-5386700783 [0,2,0,0,0,0|2,0,0]=4 3054 B7R0.2 CC(C)OC(=O)CO MCULE-4694316703 [0,2,0,0,0,0|2,0,0]=4 3055 B7R0.2 CC(CC(=O)O)NN MCULE-2614719429 [0,2,0,0,0,0|0,0,0]=2 3056 B7R0.2 CC(CC(=O)O)NN MCULE-2739806820 [0,2,0,0,0,0|0,0,0]=2 3057 B7R0.2 CC(CCl)CC(=O)Cl MCULE-3163826919 [0,2,0,0,0,0|2,0,0]=4 3058 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,2,0,0,0,0|2,0,0]=4 3059 B7R0.2 CC(CN)CC(=O)O MCULE-1594242184 [0,2,0,0,0,0|0,0,0]=2 3060 B7R0.2 CC(CN)CC(=O)O MCULE-8074816359 [0,2,0,0,0,0|0,0,0]=2 3061 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,2,0,0,0,0|2,0,0]=4 3062 B7R0.2 CC(O)CC(C)CN MCULE-3086796159 [0,2,0,0,0,0|1,0,1]=4 3063 B7R0.2 CCC(=CC(=O)O)C MCULE-3864767099 [0,2,0,0,0,0|1,0,1]=4 3064 B7R0.2 CCC(=O)CC(=O)C MCULE-1892470405 [0,2,0,0,0,0|2,0,0]=4 3065 B7R0.2 CCC(=O)CC(=O)O MCULE-1083768149 [0,2,0,0,0,0|1,0,0]=3 3066 B7R0.2 CCC(=O)CC(C)C MCULE-8378320990 [0,2,0,0,0,0|2,0,0]=4 3067 B7R0.2 CCC(C)CC(=O)C MCULE-5801548800 [0,2,0,0,0,0|2,0,0]=4 3068 B7R0.2 CCC(C)CC(=O)Cl MCULE-3063561496 [0,2,0,0,0,0|2,0,0]=4 3069 B7R0.2 CCC(C)CC(=O)O MCULE-3409782202 [0,2,0,0,0,0|1,0,0]=3 3070 B7R0.2 CCC(C)CC(=O)O MCULE-6537278030 [0,2,0,0,0,0|1,0,0]=3 3071 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,2,0,0,0,0|2,0,0]=4 3072 B7R0.2 CCC(C)OC(=O)C MCULE-8410375215 [0,2,0,0,0,0|2,0,0]=4 3073 B7R0.2 CCC(C)OC(=O)Cl MCULE-1512790698 [0,2,0,0,0,0|2,0,0]=4 3074 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,2,0,0,0,0|2,0,0]=4 3075 B7R0.2 CCC(N)CC(=O)O MCULE-1744910444 [0,2,0,0,0,0|0,0,0]=2 3076 B7R0.2 CCC(N)CC(=O)O MCULE-5610499925 [0,2,0,0,0,0|0,0,0]=2 3077 B7R0.2 CCC(N)CC(C)O MCULE-1447243469 [0,2,0,0,0,0|1,0,1]=4 3078 B7R0.2 CCC(O)CC(=O)C MCULE-1222748729 [0,2,0,0,0,0|2,0,0]=4 3079 B7R0.2 CCC(O)CC(=O)O MCULE-4663578527 [0,2,0,0,0,0|1,0,0]=3 3080 B7R0.2 CCN(C)CC(=O)C MCULE-5302720081 [0,2,0,0,0,0|2,0,0]=4 3081 B7R0.2 CCN(C)CC(=O)C MCULE-7283054437 [0,2,0,0,0,0|2,0,0]=4 3082 B7R0.2 CCN(C)CC(=O)O MCULE-3102395413 [0,2,0,0,0,0|1,0,0]=3 3083 B7R0.2 CCS(=O)CC(=O)O MCULE-5648298475 [0,2,0,0,0,0|1,0,0]=3 3084 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-5550070887 [0,2,0,0,0,0|1,0,0]=3 3085 B7R0.2 CC[C@@H](C)CC(=O)O MCULE-9572363620 [0,2,0,0,0,0|1,0,0]=3 3086 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-1158271004 [0,2,0,0,0,0|0,0,0]=2 3087 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-2354820947 [0,2,0,0,0,0|0,0,0]=2 3088 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-4284161835 [0,2,0,0,0,0|0,0,0]=2 3089 B7R0.2 CC[C@@H](N)CC(=O)O MCULE-9523089766 [0,2,0,0,0,0|0,0,0]=2 3090 B7R0.2 CC[C@H](C)CC(=O)O MCULE-4177365854 [0,2,0,0,0,0|1,0,0]=3 3091 B7R0.2 CC[C@H](C)CC(=O)O MCULE-5173108207 [0,2,0,0,0,0|1,0,0]=3 3092 B7R0.2 CC[C@H](N)CC(=O)O MCULE-1463536674 [0,2,0,0,0,0|0,0,0]=2 3093 B7R0.2 CC[C@H](N)CC(=O)O MCULE-2865599647 [0,2,0,0,0,0|0,0,0]=2 3094 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4506847599 [0,2,0,0,0,0|0,0,0]=2 3095 B7R0.2 CC[C@H](N)CC(=O)O MCULE-4819674539 [0,2,0,0,0,0|0,0,0]=2 3096 B7R0.2 CN(C=O)CC(=O)O MCULE-2679649056 [0,2,0,0,0,0|1,0,1]=4 3097 B7R0.2 CN(CC(=O)O)N=O MCULE-5473244336 [0,2,0,0,0,0|1,0,1]=4 3098 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,2,0,0,0,0|1,0,1]=4 3099 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,2,0,0,0,0|1,0,1]=4 3100 B7R0.2 CNC(=O)CC(=O)C MCULE-4316009681 [0,2,0,0,0,0|1,0,1]=4 3101 B7R0.2 CNC(=O)CC(=O)O MCULE-3506871336 [0,2,0,0,0,0|0,0,1]=3 3102 B7R0.2 CNC(=O)CC(=S)N MCULE-1637389152 [0,2,0,0,0,0|1,0,1]=4 3103 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,2,0,0,0,0|2,0,0]=4 3104 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,2,0,0,0,0|1,0,0]=3 3105 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,2,0,0,0,0|1,0,0]=3 3106 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,2,0,0,0,0|1,0,0]=3 3107 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,2,0,0,0,0|1,0,0]=3 3108 B7R0.2 CNC(C)CC(=O)O MCULE-6592893730 [0,2,0,0,0,0|0,0,0]=2 3109 B7R0.2 CNC(C)CC(=O)O MCULE-7655437452 [0,2,0,0,0,0|0,0,0]=2 3110 B7R0.2 CNC(C)CS(=O)C MCULE-5598071425 [0,2,0,0,0,0|2,0,0]=4 3111 B7R0.2 COC(=N)CC(C)C MCULE-4603041381 [0,2,0,0,0,0|2,0,0]=4 3112 B7R0.2 COC(=N)CC(C)C MCULE-5838686710 [0,2,0,0,0,0|2,0,0]=4 3113 B7R0.2 COC(=O)/C=C(/C)\N MCULE-2378404457 [0,2,0,0,0,0|0,0,2]=4 3114 B7R0.2 COC(=O)/C=C(\C)/N MCULE-7223502425 [0,2,0,0,0,0|0,0,2]=4 3115 B7R0.2 COC(=O)C=C(C)N MCULE-8452012306 [0,2,0,0,0,0|0,0,2]=4 3116 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,2,0,0,0,0|0,0,1]=3 3117 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,2,0,0,0,0|0,0,1]=3 3118 B7R0.2 COC(=O)CC(=O)C MCULE-1265364784 [0,2,0,0,0,0|1,0,1]=4 3119 B7R0.2 COC(=O)CC(=O)Cl MCULE-5016603273 [0,2,0,0,0,0|1,0,1]=4 3120 B7R0.2 COC(=O)CC(=O)N MCULE-7129379910 [0,2,0,0,0,0|0,0,1]=3 3121 B7R0.2 COC(=O)CC(=O)O MCULE-7983457925 [0,2,0,0,0,0|1,0,1]=4 3122 B7R0.2 COC(=O)CC(=O)[O-] MCULE-4316322156 [0,2,0,0,0,0|1,0,1]=4 3123 B7R0.2 COC(=O)CC(=S)N MCULE-3325362226 [0,2,0,0,0,0|0,0,1]=3 3124 B7R0.2 COC(=O)CC(C)Br MCULE-4193147778 [0,2,0,0,0,0|1,0,0]=3 3125 B7R0.2 COC(=O)CC(C)C MCULE-2808202854 [0,2,0,0,0,0|1,0,0]=3 3126 B7R0.2 COC(=O)CC(C)Cl MCULE-2734734940 [0,2,0,0,0,0|1,0,0]=3 3127 B7R0.2 COC(=O)CC(C)N MCULE-2402304310 [0,2,0,0,0,0|0,0,0]=2 3128 B7R0.2 COC(=O)CC(C)N MCULE-3520358398 [0,2,0,0,0,0|0,0,0]=2 3129 B7R0.2 COC(=O)CC(C)N MCULE-4044567169 [0,2,0,0,0,0|0,0,0]=2 3130 B7R0.2 COC(=O)CC(C)N MCULE-5962991844 [0,2,0,0,0,0|0,0,0]=2 3131 B7R0.2 COC(=O)CC(C)O MCULE-7542131760 [0,2,0,0,0,0|1,0,0]=3 3132 B7R0.2 COC(=O)CC(C)O MCULE-7559608260 [0,2,0,0,0,0|1,0,0]=3 3133 B7R0.2 COC(=O)CC(C)S MCULE-8423856471 [0,2,0,0,0,0|1,0,0]=3 3134 B7R0.2 COC(=O)CN(=O)=O MCULE-9778666398 [0,2,0,0,0,0|2,0,0]=4 3135 B7R0.2 COC(=O)CN(C)C MCULE-2035644817 [0,2,0,0,0,0|2,0,0]=4 3136 B7R0.2 COC(=O)CN(C)C MCULE-2356820620 [0,2,0,0,0,0|2,0,0]=4 3137 B7R0.2 COC(=O)CS(=O)C MCULE-6286293391 [0,2,0,0,0,0|2,0,0]=4 3138 B7R0.2 COC(=O)C[C@@H](C)N MCULE-1483636974 [0,2,0,0,0,0|0,0,0]=2 3139 B7R0.2 COC(=O)C[C@@H](C)N MCULE-4260923997 [0,2,0,0,0,0|0,0,0]=2 3140 B7R0.2 COC(=O)C[C@@H](C)N MCULE-6569883717 [0,2,0,0,0,0|0,0,0]=2 3141 B7R0.2 COC(=O)C[C@@H](C)N MCULE-9853158708 [0,2,0,0,0,0|0,0,0]=2 3142 B7R0.2 COC(=O)C[C@@H](C)O MCULE-1647366037 [0,2,0,0,0,0|1,0,0]=3 3143 B7R0.2 COC(=O)C[C@@H](C)O MCULE-7832771936 [0,2,0,0,0,0|1,0,0]=3 3144 B7R0.2 COC(=O)C[C@H](C)N MCULE-1385999778 [0,2,0,0,0,0|0,0,0]=2 3145 B7R0.2 COC(=O)C[C@H](C)N MCULE-1446150641 [0,2,0,0,0,0|0,0,0]=2 3146 B7R0.2 COC(=O)C[C@H](C)N MCULE-2979603570 [0,2,0,0,0,0|0,0,0]=2 3147 B7R0.2 COC(=O)C[C@H](C)N MCULE-7679126750 [0,2,0,0,0,0|0,0,0]=2 3148 B7R0.2 COC(=O)C[C@H](C)O MCULE-5154734951 [0,2,0,0,0,0|1,0,0]=3 3149 B7R0.2 COC(=O)C[C@H](C)O MCULE-7031738180 [0,2,0,0,0,0|1,0,0]=3 3150 B7R0.2 COC(=O)NC(C)C MCULE-4552685948 [0,2,0,0,0,0|2,0,0]=4 3151 B7R0.2 COC(=O)OC(C)C MCULE-4462394604 [0,2,0,0,0,0|2,0,0]=4 3152 B7R0.2 COC(=O)SC(C)C MCULE-9908884347 [0,2,0,0,0,0|2,0,0]=4 3153 B7R0.2 COC(C)CC(=O)O MCULE-7063015720 [0,2,0,0,0,0|1,0,0]=3 3154 B7R0.2 CSC(=O)CC(C)C MCULE-5433173038 [0,2,0,0,0,0|1,1,0]=4 3155 B7R0.2 CSC(C)CC(=O)O MCULE-7827833531 [0,2,0,0,0,0|1,0,0]=3 3156 B7R0.2 C[C@H](CN)CC(=O)O MCULE-4808630217 [0,2,0,0,0,0|0,0,0]=2 3157 B7R0.2 C[C@H](CN)CC(=O)O MCULE-5474405940 [0,2,0,0,0,0|0,0,0]=2 3158 B7R0.2 N#CC(N)CC(=O)N MCULE-6918234601 [0,2,0,0,0,0|1,0,0]=3 3159 B7R0.2 N/C(=N/O)/CC(=O)O MCULE-5236282846 [0,2,0,0,0,0|0,0,1]=3 3160 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,2,0,0,0,0|1,0,1]=4 3161 B7R0.2 NC(=O)C/C(=N\O)/N MCULE-7090967368 [0,2,0,0,0,0|1,0,1]=4 3162 B7R0.2 NC(CO)CC(=O)O MCULE-4749383822 [0,2,0,0,0,0|0,0,0]=2 3163 B7R0.2 NC(CO)CC(=O)O MCULE-7973334774 [0,2,0,0,0,0|0,0,0]=2 3164 B7R0.2 NC(CO)CC(=O)O MCULE-8406665261 [0,2,0,0,0,0|0,0,0]=2 3165 B7R0.2 NCC(N)CC(=O)O MCULE-5523883615 [0,2,0,0,0,0|0,0,0]=2 3166 B7R0.2 NCC(N)CC(=O)O MCULE-7594259237 [0,2,0,0,0,0|0,0,0]=2 3167 B7R0.2 NCC(O)CC(=O)O MCULE-9221352157 [0,2,0,0,0,0|0,0,0]=2 3168 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-6916648546 [0,2,0,0,0,0|1,0,0]=3 3169 B7R0.2 NC[C@@H](F)CP(=O)O MCULE-8505911927 [0,2,0,0,0,0|1,0,0]=3 3170 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-6348974465 [0,2,0,0,0,0|0,0,0]=2 3171 B7R0.2 NC[C@@H](N)CC(=O)O MCULE-9397628218 [0,2,0,0,0,0|0,0,0]=2 3172 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-2174350055 [0,2,0,0,0,0|0,0,0]=2 3173 B7R0.2 NC[C@@H](O)CC(=O)O MCULE-8177708130 [0,2,0,0,0,0|0,0,0]=2 3174 B7R0.2 NC[C@H](N)CC(=O)O MCULE-6133569516 [0,2,0,0,0,0|0,0,0]=2 3175 B7R0.2 NC[C@H](N)CC(=O)O MCULE-7098533469 [0,2,0,0,0,0|0,0,0]=2 3176 B7R0.2 NC[C@H](O)CC(=O)O MCULE-6634973995 [0,2,0,0,0,0|0,0,0]=2 3177 B7R0.2 NC[C@H](O)CC(=O)O MCULE-8055679819 [0,2,0,0,0,0|0,0,0]=2 3178 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-1773927420 [0,2,0,0,0,0|0,0,0]=2 3179 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-2797951743 [0,2,0,0,0,0|0,0,0]=2 3180 B7R0.2 N[C@@H](CO)CC(=O)O MCULE-3839766977 [0,2,0,0,0,0|0,0,0]=2 3181 B7R0.2 N[C@H](CO)CC(=O)O MCULE-4130106630 [0,2,0,0,0,0|0,0,0]=2 3182 B7R0.2 O=C(Br)CC(=O)CBr MCULE-5776576043 [0,2,0,0,0,0|2,0,0]=4 3183 B7R0.2 O=C(Cl)CC(=O)CCl MCULE-6416318811 [0,2,0,0,0,0|2,0,0]=4 3184 B7R0.2 O=C(O)CC(=O)CCl MCULE-9671015150 [0,2,0,0,0,0|1,0,0]=3 3185 B7R0.2 O=C(O)CC(=O)CO MCULE-2224143705 [0,2,0,0,0,0|1,0,0]=3 3186 B7R0.2 O=C(O)CC(O)CO MCULE-2851149196 [0,2,0,0,0,0|1,0,0]=3 3187 B7R0.2 O=C(O)C[C@H](O)CO MCULE-5671818548 [0,2,0,0,0,0|1,0,0]=3 3188 B7R0.2 O=C([O-])CC(O)CO MCULE-5202762172 [0,2,0,0,0,0|1,0,1]=4 3189 B7R0.2 O=C([O-])CC(O)CO MCULE-6219855770 [0,2,0,0,0,0|1,0,1]=4 3190 B7R0.2 O=CN(O)CC(=O)O MCULE-7408790227 [0,2,0,0,0,0|1,0,1]=4 3191 B7R0.2 [C@@H](F)(CN)CP(=O)O MCULE-9369150023 [0,2,0,0,0,0|1,0,0]=3 3192 B7R0.2 [NH3+][C@H](CO)CC(=O)[O-] MCULE-5131942851 [0,2,0,0,0,0|0,0,2]=4 3193 B7R0.3 C#CCCC(=O)OC MCULE-8778440511 [0,2,0,0,0,0|1,0,0]=3 3194 B7R0.3 C#CCNC(=O)OC MCULE-3058580094 [0,2,0,0,0,0|1,0,1]=4 3195 B7R0.3 C#CCOC(=O)OC MCULE-7912235498 [0,2,0,0,0,0|1,0,1]=4 3196 B7R0.3 C/C=C/CC(=O)OC MCULE-7204157194 [0,2,0,0,0,0|1,0,1]=4 3197 B7R0.3 C=C(C=O)CCC#N MCULE-3479954551 [0,2,0,0,0,0|1,0,1]=4 3198 B7R0.3 C=C(C=O)CCCC MCULE-4974026399 [0,2,0,0,0,0|2,0,0]=4 3199 B7R0.3 C=CC(=O)CCCCl MCULE-7188402172 [0,2,0,0,0,0|2,0,0]=4 3200 B7R0.3 C=CC(=O)NCCC MCULE-5704500398 [0,2,0,0,0,0|2,0,0]=4 3201 B7R0.3 C=CC(=O)NCCN MCULE-5552021639 [0,2,0,0,0,0|1,0,0]=3 3202 B7R0.3 C=CC(=O)NCCN MCULE-6417335153 [0,2,0,0,0,0|1,0,0]=3 3203 B7R0.3 C=CC(=O)NCCO MCULE-2036150536 [0,2,0,0,0,0|2,0,0]=4 3204 B7R0.3 C=CC(=O)OCCBr MCULE-3258133915 [0,2,0,0,0,0|2,0,0]=4 3205 B7R0.3 C=CC(=O)OCCC MCULE-5292603407 [0,2,0,0,0,0|2,0,0]=4 3206 B7R0.3 C=CC(=O)OCCCl MCULE-6902160724 [0,2,0,0,0,0|2,0,0]=4 3207 B7R0.3 C=CC(=O)OCCF MCULE-6798260659 [0,2,0,0,0,0|2,0,0]=4 3208 B7R0.3 C=CC(=O)OCCN MCULE-9056583453 [0,2,0,0,0,0|1,0,0]=3 3209 B7R0.3 C=CC(=O)OCCO MCULE-3147939665 [0,2,0,0,0,0|2,0,0]=4 3210 B7R0.3 C=CCCC(=O)CBr MCULE-8443541398 [0,2,0,0,0,0|2,0,0]=4 3211 B7R0.3 C=CCCC(=O)CC MCULE-7933484898 [0,2,0,0,0,0|2,0,0]=4 3212 B7R0.3 C=CCCC(=O)CCl MCULE-4669619111 [0,2,0,0,0,0|2,0,0]=4 3213 B7R0.3 C=CCCC(=O)NC MCULE-9859680580 [0,2,0,0,0,0|2,0,0]=4 3214 B7R0.3 C=CCCC(=O)NN MCULE-1170308182 [0,2,0,0,0,0|2,0,0]=4 3215 B7R0.3 C=CCCC(=O)OC MCULE-8671478952 [0,2,0,0,0,0|1,0,0]=3 3216 B7R0.3 C=CCCC(=S)OC MCULE-4709907145 [0,2,0,0,0,0|1,1,0]=4 3217 B7R0.3 C=CCNC(=O)CO MCULE-1240234665 [0,2,0,0,0,0|1,0,1]=4 3218 B7R0.3 C=CCOC(=O)OC MCULE-9416609870 [0,2,0,0,0,0|1,0,1]=4 3219 B7R0.3 CC#CCC(=O)OC MCULE-4727663716 [0,2,0,0,0,0|1,0,1]=4 3220 B7R0.3 CC/C=C/C(=O)OC MCULE-5661442711 [0,2,0,0,0,0|1,0,1]=4 3221 B7R0.3 CC=CCC(=O)OC MCULE-9658428283 [0,2,0,0,0,0|1,0,1]=4 3222 B7R0.3 CCC(=O)CCCBr MCULE-3298679210 [0,2,0,0,0,0|2,0,0]=4 3223 B7R0.3 CCC(=O)CCCCl MCULE-3397599793 [0,2,0,0,0,0|2,0,0]=4 3224 B7R0.3 CCC(=O)NCCN MCULE-3384406070 [0,2,0,0,0,0|1,0,0]=3 3225 B7R0.3 CCC(=O)NCCN MCULE-3992696592 [0,2,0,0,0,0|1,0,0]=3 3226 B7R0.3 CCC(=O)NCCN MCULE-4556462042 [0,2,0,0,0,0|1,0,0]=3 3227 B7R0.3 CCC(=O)NCCO MCULE-7351790148 [0,2,0,0,0,0|2,0,0]=4 3228 B7R0.3 CCC(=O)OCCCl MCULE-7825392065 [0,2,0,0,0,0|2,0,0]=4 3229 B7R0.3 CCC(=O)OCCO MCULE-6019276519 [0,2,0,0,0,0|2,0,0]=4 3230 B7R0.3 CCC(O)CCCN MCULE-1491163174 [0,2,0,0,0,0|1,0,1]=4 3231 B7R0.3 CCC(O)CCCN MCULE-5150508895 [0,2,0,0,0,0|1,0,1]=4 3232 B7R0.3 CCC=CC(=O)OC MCULE-2390679048 [0,2,0,0,0,0|1,0,1]=4 3233 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [0,2,0,0,0,0|2,0,0]=4 3234 B7R0.3 CCCCC(=N)OC MCULE-3917139857 [0,2,0,0,0,0|2,0,0]=4 3235 B7R0.3 CCCCC(=N)OC MCULE-8394549097 [0,2,0,0,0,0|2,0,0]=4 3236 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [0,2,0,0,0,0|2,0,0]=4 3237 B7R0.3 CCCCC(=O)CBr MCULE-5866288227 [0,2,0,0,0,0|2,0,0]=4 3238 B7R0.3 CCCCC(=O)CC MCULE-7758340382 [0,2,0,0,0,0|2,0,0]=4 3239 B7R0.3 CCCCC(=O)CCl MCULE-9673190063 [0,2,0,0,0,0|2,0,0]=4 3240 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [0,2,0,0,0,0|2,0,0]=4 3241 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [0,2,0,0,0,0|2,0,0]=4 3242 B7R0.3 CCCCC(=O)OC MCULE-8635651818 [0,2,0,0,0,0|1,0,0]=3 3243 B7R0.3 CCCNC(=O)CBr MCULE-3357000060 [0,2,0,0,0,0|2,0,0]=4 3244 B7R0.3 CCCNC(=O)CCl MCULE-3171078913 [0,2,0,0,0,0|2,0,0]=4 3245 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [0,2,0,0,0,0|2,0,0]=4 3246 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [0,2,0,0,0,0|2,0,0]=4 3247 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [0,2,0,0,0,0|2,0,0]=4 3248 B7R0.3 CCCOC(=O)CBr MCULE-9392658897 [0,2,0,0,0,0|2,0,0]=4 3249 B7R0.3 CCCOC(=O)CC MCULE-2749425161 [0,2,0,0,0,0|2,0,0]=4 3250 B7R0.3 CCCOC(=O)CCl MCULE-4900509903 [0,2,0,0,0,0|2,0,0]=4 3251 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,2,0,0,0,0|2,0,0]=4 3252 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,2,0,0,0,0|2,0,0]=4 3253 B7R0.3 CCCOC(=O)CS MCULE-7918412380 [0,2,0,0,0,0|1,1,0]=4 3254 B7R0.3 CCCOC(=O)OC MCULE-7254829881 [0,2,0,0,0,0|1,0,0]=3 3255 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [0,2,0,0,0,0|2,0,0]=4 3256 B7R0.3 CCNCC(=O)OC MCULE-7988488004 [0,2,0,0,0,0|1,0,0]=3 3257 B7R0.3 CCNCC(=O)OC MCULE-9483901468 [0,2,0,0,0,0|1,0,0]=3 3258 B7R0.3 CCOCC(=O)CCl MCULE-3495077500 [0,2,0,0,0,0|2,0,0]=4 3259 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,2,0,0,0,0|2,0,0]=4 3260 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,2,0,0,0,0|2,0,0]=4 3261 B7R0.3 CCOCC(=O)OC MCULE-5158396979 [0,2,0,0,0,0|1,0,0]=3 3262 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [0,2,0,0,0,0|2,0,0]=4 3263 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [0,2,0,0,0,0|1,0,0]=3 3264 B7R0.3 CNC(=O)C=CCN MCULE-3646722223 [0,2,0,0,0,0|1,0,1]=4 3265 B7R0.3 CNC(=O)C=CCN MCULE-6988679780 [0,2,0,0,0,0|1,0,1]=4 3266 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [0,2,0,0,0,0|2,0,0]=4 3267 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,2,0,0,0,0|1,0,0]=3 3268 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,2,0,0,0,0|1,0,0]=3 3269 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [0,2,0,0,0,0|2,0,0]=4 3270 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [0,2,0,0,0,0|2,0,0]=4 3271 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [0,2,0,0,0,0|1,0,0]=3 3272 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [0,2,0,0,0,0|1,0,0]=3 3273 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [0,2,0,0,0,0|2,0,0]=4 3274 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [0,2,0,0,0,0|2,0,0]=4 3275 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [0,2,0,0,0,0|2,0,0]=4 3276 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [0,2,0,0,0,0|1,0,0]=3 3277 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [0,2,0,0,0,0|1,0,0]=3 3278 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [0,2,0,0,0,0|1,0,0]=3 3279 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [0,2,0,0,0,0|1,0,0]=3 3280 B7R0.3 CNCCC(=O)OC MCULE-5657949377 [0,2,0,0,0,0|0,0,0]=2 3281 B7R0.3 CNCCC(=O)OC MCULE-9145127599 [0,2,0,0,0,0|0,0,0]=2 3282 B7R0.3 CNOCC(=O)OC MCULE-1491246414 [0,2,0,0,0,0|1,0,0]=3 3283 B7R0.3 CNOCC(=O)OC MCULE-2119135006 [0,2,0,0,0,0|1,0,0]=3 3284 B7R0.3 COC(=N)CCCCl MCULE-3704020642 [0,2,0,0,0,0|2,0,0]=4 3285 B7R0.3 COC(=N)CCCCl MCULE-6282500757 [0,2,0,0,0,0|2,0,0]=4 3286 B7R0.3 COC(=O)/C=C/CBr MCULE-5511432414 [0,2,0,0,0,0|1,0,1]=4 3287 B7R0.3 COC(=O)/C=C/CN MCULE-6249542756 [0,2,0,0,0,0|0,0,1]=3 3288 B7R0.3 COC(=O)/C=C/CN MCULE-7014993899 [0,2,0,0,0,0|0,0,1]=3 3289 B7R0.3 COC(=O)/C=C\CBr MCULE-5925439397 [0,2,0,0,0,0|1,0,1]=4 3290 B7R0.3 COC(=O)C#CCN MCULE-5567960811 [0,2,0,0,0,0|0,0,1]=3 3291 B7R0.3 COC(=O)C#CCN MCULE-9518684465 [0,2,0,0,0,0|0,0,1]=3 3292 B7R0.3 COC(=O)C#CCO MCULE-5683806193 [0,2,0,0,0,0|1,0,1]=4 3293 B7R0.3 COC(=O)C=CCBr MCULE-1558782396 [0,2,0,0,0,0|1,0,1]=4 3294 B7R0.3 COC(=O)C=CCN MCULE-4573398613 [0,2,0,0,0,0|0,0,1]=3 3295 B7R0.3 COC(=O)C=CCN MCULE-4807348004 [0,2,0,0,0,0|0,0,1]=3 3296 B7R0.3 COC(=O)C=CCN MCULE-7751483147 [0,2,0,0,0,0|0,0,1]=3 3297 B7R0.3 COC(=O)CCC#N MCULE-3476013569 [0,2,0,0,0,0|0,0,1]=3 3298 B7R0.3 COC(=O)CCC=O MCULE-2572188002 [0,2,0,0,0,0|1,0,0]=3 3299 B7R0.3 COC(=O)CCCBr MCULE-3856139347 [0,2,0,0,0,0|1,0,0]=3 3300 B7R0.3 COC(=O)CCCCl MCULE-9725150748 [0,2,0,0,0,0|1,0,0]=3 3301 B7R0.3 COC(=O)CCCI MCULE-6607823615 [0,2,0,0,0,0|1,0,0]=3 3302 B7R0.3 COC(=O)CCCN MCULE-2399653885 [0,2,0,0,0,0|0,0,0]=2 3303 B7R0.3 COC(=O)CCCN MCULE-7745643244 [0,2,0,0,0,0|0,0,0]=2 3304 B7R0.3 COC(=O)CCCO MCULE-6149839873 [0,2,0,0,0,0|1,0,0]=3 3305 B7R0.3 COC(=O)CCCS MCULE-6897052882 [0,2,0,0,0,0|1,0,0]=3 3306 B7R0.3 COC(=O)CCSC MCULE-8525618169 [0,2,0,0,0,0|1,0,0]=3 3307 B7R0.3 COC(=O)CN=C=O MCULE-4495056254 [0,2,0,0,0,0|1,0,1]=4 3308 B7R0.3 COC(=O)CN=C=S MCULE-6944178765 [0,2,0,0,0,0|1,0,1]=4 3309 B7R0.3 COC(=O)CN=N#N MCULE-8257278223 [0,2,0,0,0,0|1,0,1]=4 3310 B7R0.3 COC(=O)CNC=O MCULE-1485317532 [0,2,0,0,0,0|1,0,1]=4 3311 B7R0.3 COC(=O)NCCN MCULE-4816806580 [0,2,0,0,0,0|0,0,0]=2 3312 B7R0.3 COC(=O)NCCN MCULE-9765640123 [0,2,0,0,0,0|0,0,0]=2 3313 B7R0.3 COC(=O)NCCO MCULE-7141835204 [0,2,0,0,0,0|1,0,0]=3 3314 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [0,2,0,0,0,0|2,0,0]=4 3315 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [0,2,0,0,0,0|2,0,0]=4 3316 B7R0.3 COCCC(=O)CCl MCULE-2918704994 [0,2,0,0,0,0|2,0,0]=4 3317 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,2,0,0,0,0|2,0,0]=4 3318 B7R0.3 COCCC(=O)OC MCULE-5918489580 [0,2,0,0,0,0|1,0,0]=3 3319 B7R0.3 N=C(CCCBr)NO MCULE-4204101118 [0,2,0,0,0,0|2,0,0]=4 3320 B7R0.3 NCC(=O)NCCF MCULE-1969796129 [0,2,0,0,0,0|2,0,0]=4 3321 B7R0.3 NCC(=O)NCCF MCULE-9924478230 [0,2,0,0,0,0|2,0,0]=4 3322 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [0,2,0,0,0,0|2,0,0]=4 3323 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [0,2,0,0,0,0|2,0,0]=4 3324 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [0,2,0,0,0,0|2,0,0]=4 3325 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [0,2,0,0,0,0|2,0,0]=4 3326 B7R0.3 NCCNC(=O)CCl MCULE-6059411085 [0,2,0,0,0,0|1,0,0]=3 3327 B7R0.3 NCCNC(=O)CCl MCULE-7545329795 [0,2,0,0,0,0|1,0,0]=3 3328 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [0,2,0,0,0,0|2,0,0]=4 3329 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [0,2,0,0,0,0|2,0,0]=4 3330 B7R0.3 NNC(=O)OCCCl MCULE-1796161427 [0,2,0,0,0,0|2,0,0]=4 3331 B7R0.3 NNC(=O)OCCCl MCULE-3977269565 [0,2,0,0,0,0|2,0,0]=4 3332 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [0,2,0,0,0,0|2,0,0]=4 3333 B7R0.3 O=C(CCl)CCCCl MCULE-2362491395 [0,2,0,0,0,0|2,0,0]=4 3334 B7R0.3 O=C(CCl)NCCCl MCULE-2029189763 [0,2,0,0,0,0|2,0,0]=4 3335 B7R0.3 O=C(CCl)NCCO MCULE-2803332455 [0,2,0,0,0,0|2,0,0]=4 3336 B7R0.3 O=C(CCl)OCCCl MCULE-7706105725 [0,2,0,0,0,0|2,0,0]=4 3337 B7R0.3 O=C(CO)NCCO MCULE-8933511918 [0,2,0,0,0,0|1,0,0]=3 3338 B7R0.5 C#CCC(C)C(=O)O MCULE-4819055703 [0,2,0,0,0,0|1,0,0]=3 3339 B7R0.5 C#CCC(F)C(=O)O MCULE-1070671235 [0,2,0,0,0,0|1,0,0]=3 3340 B7R0.5 C#CCC(N)C(=O)O MCULE-2022398365 [0,2,0,0,0,0|1,0,0]=3 3341 B7R0.5 C#CCC(N)C(=O)O MCULE-2451098139 [0,2,0,0,0,0|1,0,0]=3 3342 B7R0.5 C#CCC(N)C(=O)O MCULE-4330300997 [0,2,0,0,0,0|1,0,0]=3 3343 B7R0.5 C#CCC(N)C(=O)O MCULE-5100293043 [0,2,0,0,0,0|1,0,0]=3 3344 B7R0.5 C#CCC(O)C(=O)O MCULE-4988425198 [0,2,0,0,0,0|1,0,0]=3 3345 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-1266511504 [0,2,0,0,0,0|1,0,0]=3 3346 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-2589808316 [0,2,0,0,0,0|1,0,0]=3 3347 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-4703021434 [0,2,0,0,0,0|1,0,0]=3 3348 B7R0.5 C#CC[C@@H](N)C(=O)O MCULE-5616417783 [0,2,0,0,0,0|1,0,0]=3 3349 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-1593368546 [0,2,0,0,0,0|1,0,0]=3 3350 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-5683421535 [0,2,0,0,0,0|1,0,0]=3 3351 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-7302855511 [0,2,0,0,0,0|1,0,0]=3 3352 B7R0.5 C#CC[C@H](N)C(=O)O MCULE-9256626051 [0,2,0,0,0,0|1,0,0]=3 3353 B7R0.5 C=C(CCC)C(=O)O MCULE-5702167426 [0,2,0,0,0,0|1,0,0]=3 3354 B7R0.5 C=C(CCO)C(=O)O MCULE-3336434079 [0,2,0,0,0,0|1,0,0]=3 3355 B7R0.5 C=C(COC)C(=O)O MCULE-8964616960 [0,2,0,0,0,0|1,0,1]=4 3356 B7R0.5 C=C=CC(C)C(=O)O MCULE-3438905862 [0,2,0,0,0,0|1,0,1]=4 3357 B7R0.5 C=CCC(C)C(=O)C MCULE-4395269639 [0,2,0,0,0,0|2,0,0]=4 3358 B7R0.5 C=CCC(C)C(=O)O MCULE-2912410432 [0,2,0,0,0,0|1,0,0]=3 3359 B7R0.5 C=CCC(N)C(=O)O MCULE-1550468430 [0,2,0,0,0,0|1,0,0]=3 3360 B7R0.5 C=CCC(N)C(=O)O MCULE-1783682768 [0,2,0,0,0,0|1,0,0]=3 3361 B7R0.5 C=CCC(N)C(=O)O MCULE-8721864064 [0,2,0,0,0,0|1,0,0]=3 3362 B7R0.5 C=CCC(N)C(=O)O MCULE-9091562338 [0,2,0,0,0,0|1,0,0]=3 3363 B7R0.5 C=CCC(O)C(=O)O MCULE-6418899544 [0,2,0,0,0,0|1,0,0]=3 3364 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-3817126030 [0,2,0,0,0,0|1,0,0]=3 3365 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-5479618260 [0,2,0,0,0,0|1,0,0]=3 3366 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-6719393730 [0,2,0,0,0,0|1,0,0]=3 3367 B7R0.5 C=CC[C@@H](N)C(=O)O MCULE-7577627870 [0,2,0,0,0,0|1,0,0]=3 3368 B7R0.5 C=CC[C@@H](O)C(=O)O MCULE-4103471826 [0,2,0,0,0,0|1,0,0]=3 3369 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-2073484196 [0,2,0,0,0,0|1,0,0]=3 3370 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-3267648941 [0,2,0,0,0,0|1,0,0]=3 3371 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-4183531139 [0,2,0,0,0,0|1,0,0]=3 3372 B7R0.5 C=CC[C@H](N)C(=O)O MCULE-8225762047 [0,2,0,0,0,0|1,0,0]=3 3373 B7R0.5 C=CC[C@H](O)C(=O)O MCULE-8230827617 [0,2,0,0,0,0|1,0,0]=3 3374 B7R0.5 CC(=O)C(C)CCBr MCULE-4705039689 [0,2,0,0,0,0|2,0,0]=4 3375 B7R0.5 CC(=O)C(C)CCCl MCULE-2960091698 [0,2,0,0,0,0|2,0,0]=4 3376 B7R0.5 CC(=O)C(C)CCO MCULE-3907160101 [0,2,0,0,0,0|2,0,0]=4 3377 B7R0.5 CC(=O)C(Cl)CCCl MCULE-4634341484 [0,2,0,0,0,0|2,0,0]=4 3378 B7R0.5 CC(=O)C(Cl)CCO MCULE-1606704903 [0,2,0,0,0,0|2,0,0]=4 3379 B7R0.5 CC(=O)N(C)CCN MCULE-3153405152 [0,2,0,0,0,0|1,0,0]=3 3380 B7R0.5 CC(=O)N(C)CCN MCULE-4043248689 [0,2,0,0,0,0|1,0,0]=3 3381 B7R0.5 CC(=O)N(C)CCO MCULE-4135818139 [0,2,0,0,0,0|2,0,0]=4 3382 B7R0.5 CC(C)C(=O)CCN MCULE-1638964690 [0,2,0,0,0,0|1,0,0]=3 3383 B7R0.5 CC(C)C(=O)CCN MCULE-5188027669 [0,2,0,0,0,0|1,0,0]=3 3384 B7R0.5 CC(C)C(O)CCN MCULE-2039463209 [0,2,0,0,0,0|1,0,1]=4 3385 B7R0.5 CC(C)C(O)CCN MCULE-2941304015 [0,2,0,0,0,0|1,0,1]=4 3386 B7R0.5 CC(C)[C@H](O)CCN MCULE-1853419872 [0,2,0,0,0,0|1,0,1]=4 3387 B7R0.5 CC(C)[C@H](O)CCN MCULE-1886424228 [0,2,0,0,0,0|1,0,1]=4 3388 B7R0.5 CC(C)[C@H](O)CCN MCULE-7762475170 [0,2,0,0,0,0|1,0,1]=4 3389 B7R0.5 CC(C)[C@H](O)CCN MCULE-8675177820 [0,2,0,0,0,0|1,0,1]=4 3390 B7R0.5 CC(CCCl)C(=O)Cl MCULE-4844969943 [0,2,0,0,0,0|2,0,0]=4 3391 B7R0.5 CC(CCN)C(=O)O MCULE-8098419324 [0,2,0,0,0,0|0,0,0]=2 3392 B7R0.5 CC(CCN)C(=O)O MCULE-8509861009 [0,2,0,0,0,0|0,0,0]=2 3393 B7R0.5 CC(CCN)S(=O)C MCULE-4983155747 [0,2,0,0,0,0|1,0,1]=4 3394 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,2,0,0,0,0|2,0,0]=4 3395 B7R0.5 CC(CCO)C(=O)O MCULE-9724304469 [0,2,0,0,0,0|1,0,0]=3 3396 B7R0.5 CC(CCO)C(=O)[O-] MCULE-2278638513 [0,2,0,0,0,0|1,0,1]=4 3397 B7R0.5 CC(N=N#N)C(=O)O MCULE-1449528032 [0,2,0,0,0,0|1,0,1]=4 3398 B7R0.5 CC(N=N#N)C(=O)O MCULE-6367123914 [0,2,0,0,0,0|1,0,1]=4 3399 B7R0.5 CC(NC=O)C(=O)O MCULE-7277951464 [0,2,0,0,0,0|1,0,1]=4 3400 B7R0.5 CC/C=C(\C)/C(=O)O MCULE-1290613859 [0,2,0,0,0,0|1,0,1]=4 3401 B7R0.5 CC=CC(C)C(=O)O MCULE-5584906296 [0,2,0,0,0,0|1,0,1]=4 3402 B7R0.5 CC=CC(O)C(=O)O MCULE-5249095255 [0,2,0,0,0,0|1,0,1]=4 3403 B7R0.5 CCC=C(C)C(=O)O MCULE-5045441145 [0,2,0,0,0,0|1,0,1]=4 3404 B7R0.5 CCC=C(F)C(=O)O MCULE-6630499680 [0,2,0,0,0,0|1,0,1]=4 3405 B7R0.5 CCCC(=O)C(=O)C MCULE-8267463586 [0,2,0,0,0,0|1,0,1]=4 3406 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,2,0,0,0,0|1,0,1]=4 3407 B7R0.5 CCCC(=O)C(=O)O MCULE-5281491858 [0,2,0,0,0,0|1,0,0]=3 3408 B7R0.5 CCCC(=O)C(C)Br MCULE-8743472868 [0,2,0,0,0,0|2,0,0]=4 3409 B7R0.5 CCCC(=O)C(C)C MCULE-7690543374 [0,2,0,0,0,0|2,0,0]=4 3410 B7R0.5 CCCC(=O)N(C)C MCULE-8154537620 [0,2,0,0,0,0|2,0,0]=4 3411 B7R0.5 CCCC(Br)C(=O)C MCULE-2062903416 [0,2,0,0,0,0|2,0,0]=4 3412 B7R0.5 CCCC(Br)C(=O)O MCULE-4304229911 [0,2,0,0,0,0|1,0,0]=3 3413 B7R0.5 CCCC(C)C(=O)C MCULE-5585795289 [0,2,0,0,0,0|2,0,0]=4 3414 B7R0.5 CCCC(C)C(=O)Cl MCULE-4855016209 [0,2,0,0,0,0|2,0,0]=4 3415 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,2,0,0,0,0|2,0,0]=4 3416 B7R0.5 CCCC(C)C(=O)O MCULE-7779384365 [0,2,0,0,0,0|1,0,0]=3 3417 B7R0.5 CCCC(Cl)C(=O)O MCULE-1265367924 [0,2,0,0,0,0|1,0,0]=3 3418 B7R0.5 CCCC(F)C(=O)O MCULE-5551678948 [0,2,0,0,0,0|1,0,0]=3 3419 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,2,0,0,0,0|2,0,0]=4 3420 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,2,0,0,0,0|2,0,0]=4 3421 B7R0.5 CCCC(N)C(=O)O MCULE-1684743992 [0,2,0,0,0,0|1,0,0]=3 3422 B7R0.5 CCCC(N)C(=O)O MCULE-5263067403 [0,2,0,0,0,0|1,0,0]=3 3423 B7R0.5 CCCC(N)C(=O)O MCULE-7151907627 [0,2,0,0,0,0|1,0,0]=3 3424 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,2,0,0,0,0|1,0,1]=4 3425 B7R0.5 CCCC(O)C(=O)O MCULE-8533446195 [0,2,0,0,0,0|1,0,0]=3 3426 B7R0.5 CCCC(O)C(=O)O MCULE-9586449213 [0,2,0,0,0,0|1,0,0]=3 3427 B7R0.5 CCCN(C)C(=O)Cl MCULE-2930764127 [0,2,0,0,0,0|2,0,0]=4 3428 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-1302378905 [0,2,0,0,0,0|1,0,0]=3 3429 B7R0.5 CCC[C@@H](N)C(=O)O MCULE-5246507817 [0,2,0,0,0,0|1,0,0]=3 3430 B7R0.5 CCC[C@@H](O)C(=O)O MCULE-2742119346 [0,2,0,0,0,0|1,0,0]=3 3431 B7R0.5 CCC[C@H](Br)C(=O)O MCULE-3070253588 [0,2,0,0,0,0|1,0,0]=3 3432 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,2,0,0,0,0|2,0,0]=4 3433 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,2,0,0,0,0|2,0,0]=4 3434 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,2,0,0,0,0|2,0,0]=4 3435 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,2,0,0,0,0|2,0,0]=4 3436 B7R0.5 CCC[C@H](N)C(=O)O MCULE-2890516597 [0,2,0,0,0,0|1,0,0]=3 3437 B7R0.5 CCC[C@H](N)C(=O)O MCULE-4690406880 [0,2,0,0,0,0|1,0,0]=3 3438 B7R0.5 CCC[C@H](N)C(=O)O MCULE-9323049450 [0,2,0,0,0,0|1,0,0]=3 3439 B7R0.5 CCC[C@H](O)C(=O)O MCULE-6533548138 [0,2,0,0,0,0|1,0,0]=3 3440 B7R0.5 CCC[C@H](O)C(=O)O MCULE-8321722254 [0,2,0,0,0,0|1,0,0]=3 3441 B7R0.5 CCNC(=O)C(=O)O MCULE-1213485294 [0,2,0,0,0,0|1,0,1]=4 3442 B7R0.5 CCNC(=O)[C@H](C)O MCULE-9098995292 [0,2,0,0,0,0|2,0,0]=4 3443 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,2,0,0,0,0|2,0,0]=4 3444 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,2,0,0,0,0|2,0,0]=4 3445 B7R0.5 CCNC(C)C(=O)O MCULE-5445574810 [0,2,0,0,0,0|1,0,0]=3 3446 B7R0.5 CCNC(C)C(=O)O MCULE-5666785247 [0,2,0,0,0,0|1,0,0]=3 3447 B7R0.5 CCN[C@H](C)C(=O)O MCULE-9676358201 [0,2,0,0,0,0|1,0,0]=3 3448 B7R0.5 CCOC(=O)C(=O)O MCULE-2368024441 [0,2,0,0,0,0|1,0,1]=4 3449 B7R0.5 CCOC(=O)C(C)O MCULE-8057202883 [0,2,0,0,0,0|2,0,0]=4 3450 B7R0.5 CCOC(=O)C(C)O MCULE-9679398205 [0,2,0,0,0,0|2,0,0]=4 3451 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-3372948910 [0,2,0,0,0,0|2,0,0]=4 3452 B7R0.5 CCOC(=O)[C@@H](C)O MCULE-5795033916 [0,2,0,0,0,0|2,0,0]=4 3453 B7R0.5 CCOC(=O)[C@H](C)O MCULE-4333545760 [0,2,0,0,0,0|2,0,0]=4 3454 B7R0.5 CCOC(=O)[C@H](C)O MCULE-8787861948 [0,2,0,0,0,0|2,0,0]=4 3455 B7R0.5 CCOC(C)C(=O)O MCULE-2185795311 [0,2,0,0,0,0|1,0,0]=3 3456 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,2,0,0,0,0|1,0,0]=3 3457 B7R0.5 CN(C)C(=O)CCBr MCULE-5913033830 [0,2,0,0,0,0|2,0,0]=4 3458 B7R0.5 CN(C)C(=O)CCCl MCULE-3291912562 [0,2,0,0,0,0|2,0,0]=4 3459 B7R0.5 CN(C)C(=O)CCN MCULE-1852673058 [0,2,0,0,0,0|1,0,0]=3 3460 B7R0.5 CN(C)C(=O)CCN MCULE-6281328637 [0,2,0,0,0,0|1,0,0]=3 3461 B7R0.5 CN(C)C(=O)CCO MCULE-8849440937 [0,2,0,0,0,0|2,0,0]=4 3462 B7R0.5 CN(C)C(=O)CON MCULE-4400747484 [0,2,0,0,0,0|2,0,0]=4 3463 B7R0.5 CNCC(C)C(=O)O MCULE-4255373615 [0,2,0,0,0,0|0,0,0]=2 3464 B7R0.5 CNCC(C)C(=O)O MCULE-8076489545 [0,2,0,0,0,0|0,0,0]=2 3465 B7R0.5 CNCC(N)C(=O)O MCULE-4360775406 [0,2,0,0,0,0|0,0,0]=2 3466 B7R0.5 CNCC(N)C(=O)O MCULE-4913403405 [0,2,0,0,0,0|0,0,0]=2 3467 B7R0.5 CNC[C@H](N)C(=O)O MCULE-3465445123 [0,2,0,0,0,0|0,0,0]=2 3468 B7R0.5 CNC[C@H](N)C(=O)O MCULE-7309489523 [0,2,0,0,0,0|0,0,0]=2 3469 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8418254346 [0,2,0,0,0,0|0,0,0]=2 3470 B7R0.5 CNC[C@H](N)C(=O)O MCULE-8752314299 [0,2,0,0,0,0|0,0,0]=2 3471 B7R0.5 COCC(Br)C(=O)O MCULE-2977381282 [0,2,0,0,0,0|1,0,0]=3 3472 B7R0.5 COCC(C)C(=O)C MCULE-5328927786 [0,2,0,0,0,0|2,0,0]=4 3473 B7R0.5 COCC(C)C(=O)O MCULE-9776415948 [0,2,0,0,0,0|1,0,0]=3 3474 B7R0.5 COCC(Cl)C(=O)O MCULE-1439107016 [0,2,0,0,0,0|1,0,0]=3 3475 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,2,0,0,0,0|2,0,0]=4 3476 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,2,0,0,0,0|2,0,0]=4 3477 B7R0.5 COCC(N)C(=O)O MCULE-4336440568 [0,2,0,0,0,0|1,0,0]=3 3478 B7R0.5 COCC(N)C(=O)O MCULE-4899043582 [0,2,0,0,0,0|1,0,0]=3 3479 B7R0.5 COCC(N)C(=O)O MCULE-6964823693 [0,2,0,0,0,0|1,0,0]=3 3480 B7R0.5 COCC(N)C(=O)O MCULE-7037870255 [0,2,0,0,0,0|1,0,0]=3 3481 B7R0.5 COCC(O)C(=O)O MCULE-3185498869 [0,2,0,0,0,0|1,0,0]=3 3482 B7R0.5 COC[C@@H](N)C(=O)O MCULE-1827086666 [0,2,0,0,0,0|1,0,0]=3 3483 B7R0.5 COC[C@@H](N)C(=O)O MCULE-4868456769 [0,2,0,0,0,0|1,0,0]=3 3484 B7R0.5 COC[C@@H](N)C(=O)O MCULE-5275247485 [0,2,0,0,0,0|1,0,0]=3 3485 B7R0.5 COC[C@@H](N)C(=O)O MCULE-7339751251 [0,2,0,0,0,0|1,0,0]=3 3486 B7R0.5 COC[C@H](N)C(=O)O MCULE-3719679803 [0,2,0,0,0,0|1,0,0]=3 3487 B7R0.5 COC[C@H](N)C(=O)O MCULE-4874807874 [0,2,0,0,0,0|1,0,0]=3 3488 B7R0.5 COC[C@H](N)C(=O)O MCULE-5303156917 [0,2,0,0,0,0|1,0,0]=3 3489 B7R0.5 COC[C@H](N)C(=O)O MCULE-8138564560 [0,2,0,0,0,0|1,0,0]=3 3490 B7R0.5 CSCC(C)C(=O)O MCULE-7112130175 [0,2,0,0,0,0|1,0,0]=3 3491 B7R0.5 CSCC(N)C(=O)O MCULE-7668628251 [0,2,0,0,0,0|1,0,0]=3 3492 B7R0.5 CSC[C@H](N)C(=O)O MCULE-1178337776 [0,2,0,0,0,0|1,0,0]=3 3493 B7R0.5 CSC[C@H](N)C(=O)O MCULE-2769761337 [0,2,0,0,0,0|1,0,0]=3 3494 B7R0.5 C[C@@H](CCS)C(=O)O MCULE-2918304262 [0,2,0,0,0,0|1,0,0]=3 3495 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-2214426945 [0,2,0,0,0,0|1,0,1]=4 3496 B7R0.5 C[C@@H](N=[N+]=[N-])C(=O)O MCULE-6124505236 [0,2,0,0,0,0|1,0,1]=4 3497 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-3591368470 [0,2,0,0,0,0|1,0,1]=4 3498 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-5109353470 [0,2,0,0,0,0|1,0,1]=4 3499 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-6277841083 [0,2,0,0,0,0|1,0,1]=4 3500 B7R0.5 C[C@H](N=[N+]=[N-])C(=O)O MCULE-7843278634 [0,2,0,0,0,0|1,0,1]=4 3501 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-3824082361 [0,2,0,0,0,0|1,0,1]=4 3502 B7R0.5 C[C@H](NC=O)C(=O)O MCULE-5248110352 [0,2,0,0,0,0|1,0,1]=4 3503 B7R0.5 C[Se]CC(N)C(=O)O MCULE-3357465269 [0,2,0,0,0,0|1,0,0]=3 3504 B7R0.5 C[Se]CC(N)C(=O)O MCULE-7671606756 [0,2,0,0,0,0|1,0,0]=3 3505 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-5208306365 [0,2,0,0,0,0|1,0,0]=3 3506 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6734478742 [0,2,0,0,0,0|1,0,0]=3 3507 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-6760615750 [0,2,0,0,0,0|1,0,0]=3 3508 B7R0.5 C[Se]C[C@H](N)C(=O)O MCULE-7512025617 [0,2,0,0,0,0|1,0,0]=3 3509 B7R0.5 N#CCC(N)C(=O)O MCULE-4929926467 [0,2,0,0,0,0|0,0,1]=3 3510 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6294926701 [0,2,0,0,0,0|0,0,1]=3 3511 B7R0.5 N#CC[C@H](N)C(=O)O MCULE-6432920316 [0,2,0,0,0,0|0,0,1]=3 3512 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,2,0,0,0,0|2,0,0]=4 3513 B7R0.5 NC(CCBr)C(=O)O MCULE-1900559475 [0,2,0,0,0,0|1,0,0]=3 3514 B7R0.5 NC(CCBr)C(=O)O MCULE-7293320576 [0,2,0,0,0,0|1,0,0]=3 3515 B7R0.5 NC(CCF)C(=O)O MCULE-5519595590 [0,2,0,0,0,0|1,0,0]=3 3516 B7R0.5 NC(CCF)C(=O)O MCULE-7293194855 [0,2,0,0,0,0|1,0,0]=3 3517 B7R0.5 NC(CCO)C(=O)O MCULE-1744838687 [0,2,0,0,0,0|1,0,0]=3 3518 B7R0.5 NC(CCO)C(=O)O MCULE-9642233758 [0,2,0,0,0,0|1,0,0]=3 3519 B7R0.5 NC(CCS)C(=O)O MCULE-8057550187 [0,2,0,0,0,0|1,0,0]=3 3520 B7R0.5 NC(CCS)C(=O)O MCULE-8117596001 [0,2,0,0,0,0|1,0,0]=3 3521 B7R0.5 NC(CNO)C(=O)O MCULE-2332662988 [0,2,0,0,0,0|0,0,0]=2 3522 B7R0.5 NCCC(F)C(=O)O MCULE-5068755002 [0,2,0,0,0,0|0,0,0]=2 3523 B7R0.5 NCCC(F)C(=O)O MCULE-9196695600 [0,2,0,0,0,0|0,0,0]=2 3524 B7R0.5 NCCC(N)C(=O)O MCULE-1239764966 [0,2,0,0,0,0|0,0,0]=2 3525 B7R0.5 NCCC(N)C(=O)O MCULE-2441123923 [0,2,0,0,0,0|0,0,0]=2 3526 B7R0.5 NCCC(N)C(=O)O MCULE-3966593369 [0,2,0,0,0,0|0,0,0]=2 3527 B7R0.5 NCCC(N)C(=O)O MCULE-4212078130 [0,2,0,0,0,0|0,0,0]=2 3528 B7R0.5 NCCC(N)C(=O)O MCULE-7713366571 [0,2,0,0,0,0|0,0,0]=2 3529 B7R0.5 NCCC(N)C(=O)O MCULE-8402131049 [0,2,0,0,0,0|0,0,0]=2 3530 B7R0.5 NCCC(N)C(=O)O MCULE-9198187552 [0,2,0,0,0,0|0,0,0]=2 3531 B7R0.5 NCCC(O)C(=O)O MCULE-3670080484 [0,2,0,0,0,0|0,0,0]=2 3532 B7R0.5 NCCC(O)C(=O)O MCULE-6540935279 [0,2,0,0,0,0|0,0,0]=2 3533 B7R0.5 NCCC(O)C(F)F MCULE-7251767327 [0,2,0,0,0,0|1,0,1]=4 3534 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-4000770618 [0,2,0,0,0,0|0,0,0]=2 3535 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-5775312784 [0,2,0,0,0,0|0,0,0]=2 3536 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-6259961704 [0,2,0,0,0,0|0,0,0]=2 3537 B7R0.5 NCC[C@@H](N)C(=O)O MCULE-9871958374 [0,2,0,0,0,0|0,0,0]=2 3538 B7R0.5 NCC[C@@H](O)C(=O)O MCULE-9726912888 [0,2,0,0,0,0|0,0,0]=2 3539 B7R0.5 NCC[C@H](N)C(=O)O MCULE-1745978456 [0,2,0,0,0,0|0,0,0]=2 3540 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3856066353 [0,2,0,0,0,0|0,0,0]=2 3541 B7R0.5 NCC[C@H](N)C(=O)O MCULE-3919721317 [0,2,0,0,0,0|0,0,0]=2 3542 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5434373726 [0,2,0,0,0,0|0,0,0]=2 3543 B7R0.5 NCC[C@H](N)C(=O)O MCULE-5992578597 [0,2,0,0,0,0|0,0,0]=2 3544 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6536533546 [0,2,0,0,0,0|0,0,0]=2 3545 B7R0.5 NCC[C@H](N)C(=O)O MCULE-6978035806 [0,2,0,0,0,0|0,0,0]=2 3546 B7R0.5 NCC[C@H](N)C(=O)O MCULE-8762011291 [0,2,0,0,0,0|0,0,0]=2 3547 B7R0.5 NCC[C@H](N)C(=O)O MCULE-9645608127 [0,2,0,0,0,0|0,0,0]=2 3548 B7R0.5 NCC[C@H](O)C(=O)O MCULE-3296998083 [0,2,0,0,0,0|0,0,0]=2 3549 B7R0.5 NCC[C@H](O)C(=O)O MCULE-7901866019 [0,2,0,0,0,0|0,0,0]=2 3550 B7R0.5 NOC[C@H](N)C(=O)O MCULE-1050292176 [0,2,0,0,0,0|0,0,0]=2 3551 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2388269464 [0,2,0,0,0,0|1,0,0]=3 3552 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-2456796412 [0,2,0,0,0,0|1,0,0]=3 3553 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-6229782603 [0,2,0,0,0,0|1,0,0]=3 3554 B7R0.5 N[C@@H](CCBr)C(=O)O MCULE-8123446168 [0,2,0,0,0,0|1,0,0]=3 3555 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-2370353784 [0,2,0,0,0,0|1,0,0]=3 3556 B7R0.5 N[C@@H](CCO)C(=O)O MCULE-4861747928 [0,2,0,0,0,0|1,0,0]=3 3557 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-4021115723 [0,2,0,0,0,0|1,0,0]=3 3558 B7R0.5 N[C@@H](CCS)C(=O)O MCULE-7661321953 [0,2,0,0,0,0|1,0,0]=3 3559 B7R0.5 N[C@@H](CSS)C(=O)O MCULE-3029500977 [0,2,0,0,0,0|1,0,0]=3 3560 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-1975650690 [0,2,0,0,0,0|1,0,0]=3 3561 B7R0.5 N[C@H](CCBr)C(=O)O MCULE-7245104465 [0,2,0,0,0,0|1,0,0]=3 3562 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8005652100 [0,2,0,0,0,0|1,0,0]=3 3563 B7R0.5 N[C@H](CCO)C(=O)O MCULE-8613625039 [0,2,0,0,0,0|1,0,0]=3 3564 B7R0.5 N[C@H](CCS)C(=O)O MCULE-1110046008 [0,2,0,0,0,0|1,0,0]=3 3565 B7R0.5 N[C@H](CCS)C(=O)O MCULE-7556963357 [0,2,0,0,0,0|1,0,0]=3 3566 B7R0.5 O=C(Br)C(Br)CCBr MCULE-1496301616 [0,2,0,0,0,0|2,0,0]=4 3567 B7R0.5 O=C(Cl)C(Br)CCBr MCULE-9787639147 [0,2,0,0,0,0|2,0,0]=4 3568 B7R0.5 O=C(Cl)C(Br)CCCl MCULE-6400872582 [0,2,0,0,0,0|2,0,0]=4 3569 B7R0.5 O=C(O)C(Br)CCBr MCULE-3091819269 [0,2,0,0,0,0|1,0,0]=3 3570 B7R0.5 O=C(O)C(O)CCO MCULE-9096271794 [0,2,0,0,0,0|1,0,0]=3 3571 B7R0.5 [C@H](N)(CC#C)C(=O)O MCULE-7308061694 [0,2,0,0,0,0|1,0,0]=3 3572 B7R0.7 C#CCC(=O)OCC MCULE-2012473321 [0,2,0,0,0,0|1,0,1]=4 3573 B7R0.7 C=C(CCC)CCO MCULE-1774943854 [0,2,0,0,0,0|2,0,0]=4 3574 B7R0.7 C=CCC(=O)OCC MCULE-2006542536 [0,2,0,0,0,0|1,0,1]=4 3575 B7R0.7 C=COC(=O)CCC MCULE-2764567967 [0,2,0,0,0,0|1,0,0]=3 3576 B7R0.7 CC(CCN)CCO MCULE-7864092529 [0,2,0,0,0,0|1,0,1]=4 3577 B7R0.7 CCCC(=N)OCC MCULE-5551107242 [0,2,0,0,0,0|2,0,0]=4 3578 B7R0.7 CCCC(=N)OCC MCULE-7790310067 [0,2,0,0,0,0|2,0,0]=4 3579 B7R0.7 CCCC(=O)CC#N MCULE-7580308812 [0,2,0,0,0,0|2,0,0]=4 3580 B7R0.7 CCCC(=O)CCC MCULE-1621649928 [0,2,0,0,0,0|2,0,0]=4 3581 B7R0.7 CCCC(=O)OCC MCULE-9977024136 [0,2,0,0,0,0|1,0,0]=3 3582 B7R0.7 CCCC(=O)OCCl MCULE-5186069317 [0,2,0,0,0,0|1,0,0]=3 3583 B7R0.7 CCCC(O)CCN MCULE-3796998426 [0,2,0,0,0,0|1,0,1]=4 3584 B7R0.7 CCNC(=O)CCCl MCULE-3246776319 [0,2,0,0,0,0|2,0,0]=4 3585 B7R0.7 CCNC(=O)CCN MCULE-2856252531 [0,2,0,0,0,0|1,0,0]=3 3586 B7R0.7 CCNC(=O)CCN MCULE-3929666209 [0,2,0,0,0,0|1,0,0]=3 3587 B7R0.7 CCNC(=O)CCO MCULE-3624072697 [0,2,0,0,0,0|2,0,0]=4 3588 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,2,0,0,0,0|2,0,0]=4 3589 B7R0.7 CCOC(=N)CCCl MCULE-3462649487 [0,2,0,0,0,0|2,0,0]=4 3590 B7R0.7 CCOC(=N)CCCl MCULE-7130199135 [0,2,0,0,0,0|2,0,0]=4 3591 B7R0.7 CCOC(=N)CCO MCULE-8135932013 [0,2,0,0,0,0|2,0,0]=4 3592 B7R0.7 CCOC(=N)CCO MCULE-9125708150 [0,2,0,0,0,0|2,0,0]=4 3593 B7R0.7 CCOC(=O)/C=C/O MCULE-1984925411 [0,2,0,0,0,0|2,0,0]=4 3594 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,2,0,0,0,0|0,0,2]=4 3595 B7R0.7 CCOC(=O)C=CO MCULE-2570791221 [0,2,0,0,0,0|2,0,0]=4 3596 B7R0.7 CCOC(=O)C=NN MCULE-5132323904 [0,2,0,0,0,0|1,0,1]=4 3597 B7R0.7 CCOC(=O)C=NN MCULE-5899717314 [0,2,0,0,0,0|1,0,1]=4 3598 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [0,2,0,0,0,0|2,0,0]=4 3599 B7R0.7 CCOC(=O)CC#N MCULE-3161671261 [0,2,0,0,0,0|0,0,2]=4 3600 B7R0.7 CCOC(=O)CC=O MCULE-5042552247 [0,2,0,0,0,0|1,0,1]=4 3601 B7R0.7 CCOC(=O)CCBr MCULE-1898467026 [0,2,0,0,0,0|1,0,0]=3 3602 B7R0.7 CCOC(=O)CCCl MCULE-2623656770 [0,2,0,0,0,0|1,0,0]=3 3603 B7R0.7 CCOC(=O)CCI MCULE-9651397551 [0,2,0,0,0,0|1,0,0]=3 3604 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [0,2,0,0,0,0|0,0,0]=2 3605 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [0,2,0,0,0,0|0,0,0]=2 3606 B7R0.7 CCOC(=O)CCO MCULE-3972081033 [0,2,0,0,0,0|1,0,0]=3 3607 B7R0.7 CCOC(=O)CCS MCULE-3955367746 [0,2,0,0,0,0|1,0,0]=3 3608 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [0,2,0,0,0,0|2,0,0]=4 3609 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [0,2,0,0,0,0|2,0,0]=4 3610 B7R0.7 CCOC(=O)CNN MCULE-2832319636 [0,2,0,0,0,0|1,0,0]=3 3611 B7R0.7 CCOC(=O)CNN MCULE-3479623348 [0,2,0,0,0,0|1,0,0]=3 3612 B7R0.7 CCOC(=O)CNN MCULE-5066106273 [0,2,0,0,0,0|1,0,0]=3 3613 B7R0.7 CCOC(=O)COC MCULE-7739678079 [0,2,0,0,0,0|2,0,0]=4 3614 B7R0.7 CCOC(=O)CON MCULE-4924818206 [0,2,0,0,0,0|1,0,0]=3 3615 B7R0.7 CCOC(=O)CSC MCULE-5199209389 [0,2,0,0,0,0|2,0,0]=4 3616 B7R0.7 CCOC(=O)NCCl MCULE-9646468987 [0,2,0,0,0,0|2,0,0]=4 3617 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [0,2,0,0,0,0|2,0,0]=4 3618 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,2,0,0,0,0|2,0,0]=4 3619 B7R0.7 CCOC(=O)OCC MCULE-1394890550 [0,2,0,0,0,0|2,0,0]=4 3620 B7R0.7 CCOC(=O)OCCl MCULE-9723292956 [0,2,0,0,0,0|2,0,0]=4 3621 B7R0.7 CCOC(=O)OCI MCULE-7994621582 [0,2,0,0,0,0|2,0,0]=4 3622 B7R0.7 CN(CCN)CCO MCULE-2960427748 [0,2,0,0,0,0|2,0,0]=4 3623 B7R0.7 COCC(=O)CC#N MCULE-7023614757 [0,2,0,0,0,0|0,0,2]=4 3624 B7R0.7 COCC(=O)COC MCULE-5119511792 [0,2,0,0,0,0|2,0,0]=4 3625 B7R0.7 COCC(O)CCN MCULE-9524454931 [0,2,0,0,0,0|0,0,2]=4 3626 B7R0.7 O=C(CCBr)CCBr MCULE-4794296091 [0,2,0,0,0,0|2,0,0]=4 3627 B7R0.7 O=C(CCCl)CCCl MCULE-1408529874 [0,2,0,0,0,0|2,0,0]=4 3628 B7R0.7 O=C(CCO)CCO MCULE-8765223516 [0,2,0,0,0,0|1,0,0]=3 3629 B7R0.7 O=C(NCO)NCO MCULE-8625819432 [0,2,0,0,0,0|2,0,0]=4 3630 B7R0.7 O=S(CCO)CCO MCULE-3068452870 [0,2,0,0,0,0|2,0,0]=4 3631 B7R0.10 C=C(CBr)C(=O)OC MCULE-7991860093 [0,2,0,0,0,0|1,0,1]=4 3632 B7R0.10 C=C(CC)C(=O)OC MCULE-2064145693 [0,2,0,0,0,0|1,0,1]=4 3633 B7R0.10 C=C(CCl)C(=O)OC MCULE-8356509776 [0,2,0,0,0,0|1,0,1]=4 3634 B7R0.10 C=C(CO)C(=O)OC MCULE-8888105984 [0,2,0,0,0,0|1,0,1]=4 3635 B7R0.10 C=CC(Cl)C(=O)OC MCULE-8371197919 [0,2,0,0,0,0|1,0,1]=4 3636 B7R0.10 C=CC(N)C(=O)OC MCULE-6449924585 [0,2,0,0,0,0|1,0,1]=4 3637 B7R0.10 C=CC(N)C(=O)OC MCULE-8138684326 [0,2,0,0,0,0|1,0,1]=4 3638 B7R0.10 C=CC(O)C(=O)OC MCULE-8475572887 [0,2,0,0,0,0|1,0,1]=4 3639 B7R0.10 CC(CCl)C(=N)NO MCULE-4023987029 [0,2,0,0,0,0|2,0,0]=4 3640 B7R0.10 CC(CN)C(N)CO MCULE-1520376315 [0,2,0,0,0,0|1,0,1]=4 3641 B7R0.10 CC(CN)[C@H](N)CO MCULE-9250442888 [0,2,0,0,0,0|1,0,1]=4 3642 B7R0.10 CCC(=O)C(=O)OC MCULE-6526576267 [0,2,0,0,0,0|1,0,1]=4 3643 B7R0.10 CCC(=O)C(O)CC MCULE-7549931190 [0,2,0,0,0,0|2,0,0]=4 3644 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,2,0,0,0,0|2,0,0]=4 3645 B7R0.10 CCC(Br)C(=O)OC MCULE-2335527491 [0,2,0,0,0,0|1,0,0]=3 3646 B7R0.10 CCC(C)/C(=N/O)/N MCULE-3220820796 [0,2,0,0,0,0|2,0,0]=4 3647 B7R0.10 CCC(C)/C(=N/O)/N MCULE-6860766298 [0,2,0,0,0,0|2,0,0]=4 3648 B7R0.10 CCC(C)C(=O)CBr MCULE-7022126762 [0,2,0,0,0,0|2,0,0]=4 3649 B7R0.10 CCC(C)C(=O)CCl MCULE-6800466655 [0,2,0,0,0,0|2,0,0]=4 3650 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,2,0,0,0,0|2,0,0]=4 3651 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [0,2,0,0,0,0|2,0,0]=4 3652 B7R0.10 CCC(C)C(=O)OC MCULE-9845747952 [0,2,0,0,0,0|1,0,0]=3 3653 B7R0.10 CCC(Cl)C(=O)OC MCULE-4773486285 [0,2,0,0,0,0|1,0,0]=3 3654 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,2,0,0,0,0|2,0,0]=4 3655 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,2,0,0,0,0|2,0,0]=4 3656 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,2,0,0,0,0|1,0,0]=3 3657 B7R0.10 CCC(N)C(=O)OC MCULE-1569242271 [0,2,0,0,0,0|1,0,0]=3 3658 B7R0.10 CCC(N)C(=O)OC MCULE-3183954116 [0,2,0,0,0,0|1,0,0]=3 3659 B7R0.10 CCC(N)C(=O)OC MCULE-4045754117 [0,2,0,0,0,0|1,0,0]=3 3660 B7R0.10 CCC(N)C(=O)OC MCULE-5328984047 [0,2,0,0,0,0|1,0,0]=3 3661 B7R0.10 CCC(O)C(=O)OC MCULE-8768500574 [0,2,0,0,0,0|1,0,0]=3 3662 B7R0.10 CC[C@@H](Br)C(=O)OC MCULE-2676798410 [0,2,0,0,0,0|1,0,0]=3 3663 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6794991435 [0,2,0,0,0,0|1,0,0]=3 3664 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-6825672331 [0,2,0,0,0,0|1,0,0]=3 3665 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-7307663817 [0,2,0,0,0,0|1,0,0]=3 3666 B7R0.10 CC[C@@H](N)C(=O)OC MCULE-8717527808 [0,2,0,0,0,0|1,0,0]=3 3667 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-6916010003 [0,2,0,0,0,0|1,0,0]=3 3668 B7R0.10 CC[C@@H](O)C(=O)OC MCULE-9376722018 [0,2,0,0,0,0|1,0,0]=3 3669 B7R0.10 CC[C@H](Br)C(=O)OC MCULE-5490793206 [0,2,0,0,0,0|1,0,0]=3 3670 B7R0.10 CC[C@H](N)C(=O)OC MCULE-2336816190 [0,2,0,0,0,0|1,0,0]=3 3671 B7R0.10 CC[C@H](N)C(=O)OC MCULE-3480066740 [0,2,0,0,0,0|1,0,0]=3 3672 B7R0.10 CC[C@H](N)C(=O)OC MCULE-4883083558 [0,2,0,0,0,0|1,0,0]=3 3673 B7R0.10 CC[C@H](N)C(=O)OC MCULE-6241184216 [0,2,0,0,0,0|1,0,0]=3 3674 B7R0.10 CC[C@H](O)C(=O)OC MCULE-5873092635 [0,2,0,0,0,0|1,0,0]=3 3675 B7R0.10 CC[C@H](O)C(=O)OC MCULE-8209874812 [0,2,0,0,0,0|1,0,0]=3 3676 B7R0.10 CNC(=O)C(C)CN MCULE-6853199259 [0,2,0,0,0,0|1,0,0]=3 3677 B7R0.10 CNC(=O)C(C)CN MCULE-9315732080 [0,2,0,0,0,0|1,0,0]=3 3678 B7R0.10 CNC(=O)C(N)CO MCULE-1507161216 [0,2,0,0,0,0|2,0,0]=4 3679 B7R0.10 CNC(=O)C(O)CN MCULE-4650373222 [0,2,0,0,0,0|1,0,0]=3 3680 B7R0.10 CNC(=O)C(O)CN MCULE-8978952332 [0,2,0,0,0,0|1,0,0]=3 3681 B7R0.10 CNC(C)C(=O)OC MCULE-1524259113 [0,2,0,0,0,0|2,0,0]=4 3682 B7R0.10 CNC(C)C(=O)OC MCULE-2414146201 [0,2,0,0,0,0|2,0,0]=4 3683 B7R0.10 CNC(C)C(=O)OC MCULE-3192973771 [0,2,0,0,0,0|2,0,0]=4 3684 B7R0.10 CNC(C)C(=O)OC MCULE-9929257431 [0,2,0,0,0,0|2,0,0]=4 3685 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-1271745038 [0,2,0,0,0,0|2,0,0]=4 3686 B7R0.10 CN[C@@H](C)C(=O)OC MCULE-3018199319 [0,2,0,0,0,0|2,0,0]=4 3687 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3420184809 [0,2,0,0,0,0|2,0,0]=4 3688 B7R0.10 CN[C@H](C)C(=O)OC MCULE-3818454089 [0,2,0,0,0,0|2,0,0]=4 3689 B7R0.10 CN[C@H](C)C(=O)OC MCULE-8297775033 [0,2,0,0,0,0|2,0,0]=4 3690 B7R0.10 CN[C@H](C)C(=O)OC MCULE-9637759835 [0,2,0,0,0,0|2,0,0]=4 3691 B7R0.10 COC(=O)C(=O)CBr MCULE-7596502094 [0,2,0,0,0,0|1,0,1]=4 3692 B7R0.10 COC(=O)C(=O)NN MCULE-7834741474 [0,2,0,0,0,0|1,0,1]=4 3693 B7R0.10 COC(=O)C(Br)CBr MCULE-7056048789 [0,2,0,0,0,0|1,0,0]=3 3694 B7R0.10 COC(=O)C(Br)CF MCULE-4013908914 [0,2,0,0,0,0|1,0,0]=3 3695 B7R0.10 COC(=O)C(Br)CO MCULE-1678765423 [0,2,0,0,0,0|1,0,0]=3 3696 B7R0.10 COC(=O)C(Br)CO MCULE-8437488397 [0,2,0,0,0,0|1,0,0]=3 3697 B7R0.10 COC(=O)C(Br)OC MCULE-5672396067 [0,2,0,0,0,0|2,0,0]=4 3698 B7R0.10 COC(=O)C(C)C#N MCULE-3764857061 [0,2,0,0,0,0|0,0,2]=4 3699 B7R0.10 COC(=O)C(C)C=O MCULE-8461987901 [0,2,0,0,0,0|1,0,1]=4 3700 B7R0.10 COC(=O)C(C)CBr MCULE-5887558960 [0,2,0,0,0,0|1,0,0]=3 3701 B7R0.10 COC(=O)C(C)CBr MCULE-9291707503 [0,2,0,0,0,0|1,0,0]=3 3702 B7R0.10 COC(=O)C(C)CN MCULE-8139628698 [0,2,0,0,0,0|0,0,0]=2 3703 B7R0.10 COC(=O)C(C)CN MCULE-8839292519 [0,2,0,0,0,0|0,0,0]=2 3704 B7R0.10 COC(=O)C(C)CO MCULE-1168600238 [0,2,0,0,0,0|1,0,0]=3 3705 B7R0.10 COC(=O)C(C)CO MCULE-9207150786 [0,2,0,0,0,0|1,0,0]=3 3706 B7R0.10 COC(=O)C(C)CS MCULE-2870797526 [0,2,0,0,0,0|1,0,0]=3 3707 B7R0.10 COC(=O)C(C)OC MCULE-3274761391 [0,2,0,0,0,0|2,0,0]=4 3708 B7R0.10 COC(=O)C(C)ON MCULE-1829014190 [0,2,0,0,0,0|1,0,0]=3 3709 B7R0.10 COC(=O)C(C)ON MCULE-4104938309 [0,2,0,0,0,0|1,0,0]=3 3710 B7R0.10 COC(=O)C(C)SC MCULE-6914204626 [0,2,0,0,0,0|2,0,0]=4 3711 B7R0.10 COC(=O)C(Cl)C=O MCULE-1767241035 [0,2,0,0,0,0|1,0,1]=4 3712 B7R0.10 COC(=O)C(Cl)CCl MCULE-3086208783 [0,2,0,0,0,0|1,0,0]=3 3713 B7R0.10 COC(=O)C(Cl)CO MCULE-9496750776 [0,2,0,0,0,0|1,0,0]=3 3714 B7R0.10 COC(=O)C(Cl)OC MCULE-8296320773 [0,2,0,0,0,0|2,0,0]=4 3715 B7R0.10 COC(=O)C(F)CN MCULE-3089053107 [0,2,0,0,0,0|0,0,0]=2 3716 B7R0.10 COC(=O)C(F)CN MCULE-5618581260 [0,2,0,0,0,0|0,0,0]=2 3717 B7R0.10 COC(=O)C(F)CO MCULE-2188518229 [0,2,0,0,0,0|1,0,0]=3 3718 B7R0.10 COC(=O)C(N)C#N MCULE-9016686741 [0,2,0,0,0,0|0,0,2]=4 3719 B7R0.10 COC(=O)C(N)CCl MCULE-2253564316 [0,2,0,0,0,0|1,0,0]=3 3720 B7R0.10 COC(=O)C(N)CCl MCULE-3851909822 [0,2,0,0,0,0|1,0,0]=3 3721 B7R0.10 COC(=O)C(N)CCl MCULE-4649966066 [0,2,0,0,0,0|1,0,0]=3 3722 B7R0.10 COC(=O)C(N)CCl MCULE-9193407415 [0,2,0,0,0,0|1,0,0]=3 3723 B7R0.10 COC(=O)C(N)CF MCULE-2617218019 [0,2,0,0,0,0|1,0,0]=3 3724 B7R0.10 COC(=O)C(N)CF MCULE-3926207531 [0,2,0,0,0,0|1,0,0]=3 3725 B7R0.10 COC(=O)C(N)CN MCULE-7949926265 [0,2,0,0,0,0|0,0,0]=2 3726 B7R0.10 COC(=O)C(N)CN MCULE-9215212479 [0,2,0,0,0,0|0,0,0]=2 3727 B7R0.10 COC(=O)C(N)CO MCULE-1874204534 [0,2,0,0,0,0|1,0,0]=3 3728 B7R0.10 COC(=O)C(N)CO MCULE-1907797317 [0,2,0,0,0,0|1,0,0]=3 3729 B7R0.10 COC(=O)C(N)CO MCULE-3851022091 [0,2,0,0,0,0|1,0,0]=3 3730 B7R0.10 COC(=O)C(N)CO MCULE-9875856930 [0,2,0,0,0,0|1,0,0]=3 3731 B7R0.10 COC(=O)C(N)CS MCULE-5131519605 [0,2,0,0,0,0|1,0,0]=3 3732 B7R0.10 COC(=O)C(N)CS MCULE-5561205392 [0,2,0,0,0,0|1,0,0]=3 3733 B7R0.10 COC(=O)C(N)CS MCULE-9291008448 [0,2,0,0,0,0|1,0,0]=3 3734 B7R0.10 COC(=O)C(N)CS MCULE-9963292576 [0,2,0,0,0,0|1,0,0]=3 3735 B7R0.10 COC(=O)C(O)C#N MCULE-2296440580 [0,2,0,0,0,0|0,0,2]=4 3736 B7R0.10 COC(=O)C(O)CCl MCULE-1480405341 [0,2,0,0,0,0|1,0,0]=3 3737 B7R0.10 COC(=O)C(O)CN MCULE-1003241246 [0,2,0,0,0,0|0,0,0]=2 3738 B7R0.10 COC(=O)C(O)CN MCULE-9006804473 [0,2,0,0,0,0|0,0,0]=2 3739 B7R0.10 COC(=O)C(O)CO MCULE-1234820163 [0,2,0,0,0,0|1,0,0]=3 3740 B7R0.10 COC(=O)C(O)CO MCULE-2142801284 [0,2,0,0,0,0|1,0,0]=3 3741 B7R0.10 COC(=O)C(O)OC MCULE-5465190164 [0,2,0,0,0,0|2,0,0]=4 3742 B7R0.10 COC(=O)N(C)CCl MCULE-8717315487 [0,2,0,0,0,0|2,0,0]=4 3743 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8075978888 [0,2,0,0,0,0|1,0,0]=3 3744 B7R0.10 COC(=O)[C@@H](Br)CO MCULE-8903256620 [0,2,0,0,0,0|1,0,0]=3 3745 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-5530851181 [0,2,0,0,0,0|1,0,0]=3 3746 B7R0.10 COC(=O)[C@@H](C)CBr MCULE-8885621324 [0,2,0,0,0,0|1,0,0]=3 3747 B7R0.10 COC(=O)[C@@H](C)CN MCULE-7205157481 [0,2,0,0,0,0|0,0,0]=2 3748 B7R0.10 COC(=O)[C@@H](C)CN MCULE-9885299909 [0,2,0,0,0,0|0,0,0]=2 3749 B7R0.10 COC(=O)[C@@H](C)CO MCULE-6738074317 [0,2,0,0,0,0|1,0,0]=3 3750 B7R0.10 COC(=O)[C@@H](C)CO MCULE-9697255968 [0,2,0,0,0,0|1,0,0]=3 3751 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2209395189 [0,2,0,0,0,0|0,0,0]=2 3752 B7R0.10 COC(=O)[C@@H](F)CN MCULE-2951378763 [0,2,0,0,0,0|0,0,0]=2 3753 B7R0.10 COC(=O)[C@@H](F)CN MCULE-4599856185 [0,2,0,0,0,0|0,0,0]=2 3754 B7R0.10 COC(=O)[C@@H](F)CN MCULE-5571914049 [0,2,0,0,0,0|0,0,0]=2 3755 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-1649684135 [0,2,0,0,0,0|1,0,0]=3 3756 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-4803192908 [0,2,0,0,0,0|1,0,0]=3 3757 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-6514033613 [0,2,0,0,0,0|1,0,0]=3 3758 B7R0.10 COC(=O)[C@@H](N)CCl MCULE-7997387565 [0,2,0,0,0,0|1,0,0]=3 3759 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4407014418 [0,2,0,0,0,0|0,0,0]=2 3760 B7R0.10 COC(=O)[C@@H](N)CN MCULE-4854066134 [0,2,0,0,0,0|0,0,0]=2 3761 B7R0.10 COC(=O)[C@@H](N)CN MCULE-5060962890 [0,2,0,0,0,0|0,0,0]=2 3762 B7R0.10 COC(=O)[C@@H](N)CN MCULE-8572432694 [0,2,0,0,0,0|0,0,0]=2 3763 B7R0.10 COC(=O)[C@@H](N)CO MCULE-2171593224 [0,2,0,0,0,0|1,0,0]=3 3764 B7R0.10 COC(=O)[C@@H](N)CO MCULE-3393088985 [0,2,0,0,0,0|1,0,0]=3 3765 B7R0.10 COC(=O)[C@@H](N)CO MCULE-5476910845 [0,2,0,0,0,0|1,0,0]=3 3766 B7R0.10 COC(=O)[C@@H](N)CO MCULE-9984439264 [0,2,0,0,0,0|1,0,0]=3 3767 B7R0.10 COC(=O)[C@@H](N)CS MCULE-2560943261 [0,2,0,0,0,0|1,0,0]=3 3768 B7R0.10 COC(=O)[C@@H](N)CS MCULE-3682774490 [0,2,0,0,0,0|1,0,0]=3 3769 B7R0.10 COC(=O)[C@@H](N)CS MCULE-6613123984 [0,2,0,0,0,0|1,0,0]=3 3770 B7R0.10 COC(=O)[C@@H](N)CS MCULE-7354291938 [0,2,0,0,0,0|1,0,0]=3 3771 B7R0.10 COC(=O)[C@@H](O)CN MCULE-1265508864 [0,2,0,0,0,0|0,0,0]=2 3772 B7R0.10 COC(=O)[C@@H](O)CN MCULE-2334791448 [0,2,0,0,0,0|0,0,0]=2 3773 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6207278824 [0,2,0,0,0,0|0,0,0]=2 3774 B7R0.10 COC(=O)[C@@H](O)CN MCULE-6634004594 [0,2,0,0,0,0|0,0,0]=2 3775 B7R0.10 COC(=O)[C@@H](O)CO MCULE-3655137528 [0,2,0,0,0,0|1,0,0]=3 3776 B7R0.10 COC(=O)[C@@H](O)CO MCULE-5801355812 [0,2,0,0,0,0|1,0,0]=3 3777 B7R0.10 COC(=O)[C@H](Br)CO MCULE-8230787734 [0,2,0,0,0,0|1,0,0]=3 3778 B7R0.10 COC(=O)[C@H](C)C=O MCULE-9841785503 [0,2,0,0,0,0|1,0,1]=4 3779 B7R0.10 COC(=O)[C@H](C)CBr MCULE-3829202918 [0,2,0,0,0,0|1,0,0]=3 3780 B7R0.10 COC(=O)[C@H](C)CBr MCULE-4931737781 [0,2,0,0,0,0|1,0,0]=3 3781 B7R0.10 COC(=O)[C@H](C)CN MCULE-4694019206 [0,2,0,0,0,0|0,0,0]=2 3782 B7R0.10 COC(=O)[C@H](C)CN MCULE-9113866081 [0,2,0,0,0,0|0,0,0]=2 3783 B7R0.10 COC(=O)[C@H](C)CO MCULE-5719676432 [0,2,0,0,0,0|1,0,0]=3 3784 B7R0.10 COC(=O)[C@H](C)CO MCULE-8479546806 [0,2,0,0,0,0|1,0,0]=3 3785 B7R0.10 COC(=O)[C@H](C)OC MCULE-3095326114 [0,2,0,0,0,0|2,0,0]=4 3786 B7R0.10 COC(=O)[C@H](N)CCl MCULE-1199425954 [0,2,0,0,0,0|1,0,0]=3 3787 B7R0.10 COC(=O)[C@H](N)CCl MCULE-2611523756 [0,2,0,0,0,0|1,0,0]=3 3788 B7R0.10 COC(=O)[C@H](N)CCl MCULE-6503487325 [0,2,0,0,0,0|1,0,0]=3 3789 B7R0.10 COC(=O)[C@H](N)CCl MCULE-8714444412 [0,2,0,0,0,0|1,0,0]=3 3790 B7R0.10 COC(=O)[C@H](N)CO MCULE-4463451892 [0,2,0,0,0,0|1,0,0]=3 3791 B7R0.10 COC(=O)[C@H](N)CO MCULE-5622938569 [0,2,0,0,0,0|1,0,0]=3 3792 B7R0.10 COC(=O)[C@H](N)CO MCULE-6021580541 [0,2,0,0,0,0|1,0,0]=3 3793 B7R0.10 COC(=O)[C@H](N)CO MCULE-8237708167 [0,2,0,0,0,0|1,0,0]=3 3794 B7R0.10 COC(=O)[C@H](N)CS MCULE-1845308816 [0,2,0,0,0,0|1,0,0]=3 3795 B7R0.10 COC(=O)[C@H](N)CS MCULE-3480554390 [0,2,0,0,0,0|1,0,0]=3 3796 B7R0.10 COC(=O)[C@H](N)CS MCULE-4432617084 [0,2,0,0,0,0|1,0,0]=3 3797 B7R0.10 COC(=O)[C@H](N)CS MCULE-5747217193 [0,2,0,0,0,0|1,0,0]=3 3798 B7R0.10 COC(=O)[C@H](O)CN MCULE-5902729244 [0,2,0,0,0,0|0,0,0]=2 3799 B7R0.10 COC(=O)[C@H](O)CN MCULE-9252373981 [0,2,0,0,0,0|0,0,0]=2 3800 B7R0.10 COC(=O)[C@H](O)CO MCULE-4219956218 [0,2,0,0,0,0|1,0,0]=3 3801 B7R0.10 COC(=O)[C@H](O)CO MCULE-8891571940 [0,2,0,0,0,0|1,0,0]=3 3802 B7R0.10 NC(CCl)C(=O)NO MCULE-8256545065 [0,2,0,0,0,0|1,0,0]=3 3803 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-1073397630 [0,2,0,0,0,0|1,0,1]=4 3804 B7R0.10 NC[C@H](O)[C@H](O)CN MCULE-8068595970 [0,2,0,0,0,0|1,0,1]=4 3805 B7R0.10 NNC(=O)C(N)CO MCULE-3324075598 [0,2,0,0,0,0|2,0,0]=4 3806 B7R0.10 NNC(=O)C(N)CO MCULE-6651241883 [0,2,0,0,0,0|2,0,0]=4 3807 B7R0.10 NNC(=O)[C@@H](N)CS MCULE-9375468264 [0,2,0,0,0,0|2,0,0]=4 3808 B7R0.10 O=C(CO)C(O)CO MCULE-9818197491 [0,2,0,0,0,0|1,0,0]=3 3809 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8306776225 [0,2,0,0,0,0|1,0,0]=3 3810 B7R0.10 O=C(CO)[C@@H](O)CO MCULE-8666498937 [0,2,0,0,0,0|1,0,0]=3 3811 B7R0.10 O=C(CO)[C@H](O)CO MCULE-7828531161 [0,2,0,0,0,0|1,0,0]=3 3812 B7R0.10 O=CC(O)C(O)CO MCULE-9564469242 [0,2,0,0,0,0|1,0,1]=4 3813 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-3532911413 [0,2,0,0,0,0|1,0,1]=4 3814 B7R0.10 O=C[C@@H](O)[C@@H](O)CO MCULE-5707669784 [0,2,0,0,0,0|1,0,1]=4 3815 B7R0.10 O=C[C@@H](O)[C@H](O)CO MCULE-4902023669 [0,2,0,0,0,0|1,0,1]=4 3816 B7R0.10 O=C[C@H](O)[C@@H](O)CO MCULE-5975565699 [0,2,0,0,0,0|1,0,1]=4 3817 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-3036594515 [0,2,0,0,0,0|1,0,1]=4 3818 B7R0.10 O=C[C@H](O)[C@H](O)CO MCULE-5412566780 [0,2,0,0,0,0|1,0,1]=4 3819 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-1799930850 [0,2,0,0,0,0|2,0,0]=4 3820 B7R0.10 [C@@H](C)(NC)C(=O)OC MCULE-5931188957 [0,2,0,0,0,0|2,0,0]=4 3821 B7R0.11 CC(C)(CO)CCN MCULE-5221703852 [0,2,0,0,0,0|1,0,1]=4 3822 B7R0.11 CC(C)(CO)CCN MCULE-7380535368 [0,2,0,0,0,0|1,0,1]=4 3823 B7R0.11 CCS(=O)(=O)CCN MCULE-6944259667 [0,2,0,0,0,0|1,0,1]=4 3824 B7R0.11 CCS(=O)(=O)CCN MCULE-8804123313 [0,2,0,0,0,0|1,0,1]=4 3825 B7R0.11 CN=S(=O)(C)CCN MCULE-5404036517 [0,2,0,0,0,0|2,0,0]=4 3826 B7R0.11 CN=S(=O)(C)CCN MCULE-5743557868 [0,2,0,0,0,0|2,0,0]=4 3827 B7R0.11 CNS(=O)(=O)CCN MCULE-1982465814 [0,2,0,0,0,0|1,0,1]=4 3828 B7R0.11 CNS(=O)(=O)CCN MCULE-4756669449 [0,2,0,0,0,0|1,0,1]=4 3829 B7R0.11 COC(C)(C)CCN MCULE-7302419141 [0,2,0,0,0,0|1,0,1]=4 3830 B7R0.11 COC(C)(C)CCN MCULE-8717421395 [0,2,0,0,0,0|1,0,1]=4 3831 B7R0.12 COC(C#N)CCN MCULE-5270955180 [0,2,0,0,0,0|1,0,1]=4 3832 B7R0.12 COC(CN)CCN MCULE-6044078562 [0,2,0,0,0,0|1,0,1]=4 3833 B7R0.12 COC(CO)CCN MCULE-1177905249 [0,2,0,0,0,0|0,0,2]=4 3834 B7R0.12 NCCC(CO)CO MCULE-7028267284 [0,2,0,0,0,0|0,0,2]=4 3835 B7R0.12 NCCC(CO)CO MCULE-8865812482 [0,2,0,0,0,0|0,0,2]=4 3836 B7R0.9 CC(=O)CC(C)(C)C MCULE-5477546626 [0,2,0,0,0,0|2,0,0]=4 3837 B7R0.9 CC(=O)CC(C)(C)Cl MCULE-5981575591 [0,2,0,0,0,0|2,0,0]=4 3838 B7R0.9 CC(=O)CC(C)(C)N MCULE-1511988439 [0,2,0,0,0,0|1,0,0]=3 3839 B7R0.9 CC(=O)CC(C)(C)N MCULE-7807079460 [0,2,0,0,0,0|1,0,0]=3 3840 B7R0.9 CC(=O)CC(C)(C)N MCULE-8677016157 [0,2,0,0,0,0|1,0,0]=3 3841 B7R0.9 CC(=O)CC(C)(C)O MCULE-2623560163 [0,2,0,0,0,0|2,0,0]=4 3842 B7R0.9 CC(=O)CC(C)(C)S MCULE-8901285593 [0,2,0,0,0,0|2,0,0]=4 3843 B7R0.9 CC(=O)CC(F)(F)F MCULE-6552958941 [0,2,0,0,0,0|2,0,0]=4 3844 B7R0.9 CC(=O)CS(=O)(=O)N MCULE-1632563820 [0,2,0,0,0,0|2,0,0]=4 3845 B7R0.9 CC(C)(Br)CC(=O)O MCULE-2452885576 [0,2,0,0,0,0|1,0,0]=3 3846 B7R0.9 CC(C)(C)CC(=O)Cl MCULE-6018997465 [0,2,0,0,0,0|2,0,0]=4 3847 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [0,2,0,0,0,0|2,0,0]=4 3848 B7R0.9 CC(C)(C)CC(=O)O MCULE-8746589287 [0,2,0,0,0,0|1,0,0]=3 3849 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,2,0,0,0,0|1,0,0]=3 3850 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,2,0,0,0,0|1,0,0]=3 3851 B7R0.9 CC(C)(N)CC(=O)O MCULE-1798345695 [0,2,0,0,0,0|0,0,0]=2 3852 B7R0.9 CC(C)(N)CC(=O)O MCULE-4385513857 [0,2,0,0,0,0|0,0,0]=2 3853 B7R0.9 CC(C)(N)CC(=O)O MCULE-7160776320 [0,2,0,0,0,0|0,0,0]=2 3854 B7R0.9 CC(C)(O)CC(=O)O MCULE-3649642958 [0,2,0,0,0,0|1,0,0]=3 3855 B7R0.9 CC(C)(S)CC(=O)O MCULE-6501202267 [0,2,0,0,0,0|1,0,0]=3 3856 B7R0.9 CC(C)CP(=O)(O)O MCULE-5164389604 [0,2,0,0,0,0|2,0,0]=4 3857 B7R0.9 CC(F)(F)CC(=O)O MCULE-2075069695 [0,2,0,0,0,0|1,0,0]=3 3858 B7R0.9 CC(N)CC(C)(C)O MCULE-6122866768 [0,2,0,0,0,0|1,0,1]=4 3859 B7R0.9 CC(N)CC(C)(C)O MCULE-6808889940 [0,2,0,0,0,0|1,0,1]=4 3860 B7R0.9 CC(N)CS(=O)(=O)C MCULE-8822552419 [0,2,0,0,0,0|1,0,1]=4 3861 B7R0.9 CC(N)CS(=O)(=O)C MCULE-9216622378 [0,2,0,0,0,0|1,0,1]=4 3862 B7R0.9 CC(N)CS(=O)(=O)O MCULE-7402057915 [0,2,0,0,0,0|1,0,0]=3 3863 B7R0.9 CC(O)CC(C)(C)N MCULE-2860111904 [0,2,0,0,0,0|1,0,1]=4 3864 B7R0.9 CS(=O)(=O)CC(=O)O MCULE-1982886035 [0,2,0,0,0,0|2,0,0]=4 3865 B7R0.9 C[As+](C)(C)CC(=O)O MCULE-7167642312 [0,2,0,0,0,0|2,0,0]=4 3866 B7R0.9 C[C@@H](N)CS(=O)(=O)C MCULE-6974339925 [0,2,0,0,0,0|1,0,1]=4 3867 B7R0.9 C[C@@H](N)CS(=O)(=O)C MCULE-8870434495 [0,2,0,0,0,0|1,0,1]=4 3868 B7R0.9 C[C@H](N)CS(=O)(=O)C MCULE-6266741758 [0,2,0,0,0,0|1,0,1]=4 3869 B7R0.9 C[C@H](N)CS(=O)(=O)C MCULE-9558997808 [0,2,0,0,0,0|1,0,1]=4 3870 B7R0.9 C[N+](C)(C)CC(=O)O MCULE-5937838609 [0,2,0,0,0,0|2,0,0]=4 3871 B7R0.9 C[Si](C)(C)CC(=O)O MCULE-3888042601 [0,2,0,0,0,0|1,1,0]=4 3872 B7R0.9 NC(=O)CC(F)(F)F MCULE-5914894419 [0,2,0,0,0,0|2,0,0]=4 3873 B7R0.9 NC(=O)CS(=O)(=O)N MCULE-5735073011 [0,2,0,0,0,0|2,0,0]=4 3874 B7R0.9 NS(=O)(=O)CC(=O)O MCULE-1039009855 [0,2,0,0,0,0|1,0,0]=3 3875 B7R0.9 O=C(Cl)CC(F)(F)F MCULE-1648565999 [0,2,0,0,0,0|2,0,0]=4 3876 B7R0.9 O=C(O)CC(F)(F)F MCULE-5328586639 [0,2,0,0,0,0|1,0,0]=3 3877 B7R0.9 O=C(O)CP(=O)(O)O MCULE-7055994360 [0,2,0,0,0,0|2,0,0]=4 3878 B7R0.9 O=C(O)CS(=O)(=O)O MCULE-4846153382 [0,2,0,0,0,0|2,0,0]=4 3879 B7R0.16 C=C(C(=O)O)C(C)C MCULE-6667026437 [0,2,0,0,0,0|1,0,1]=4 3880 B7R0.16 C=C(C)C(N)C(=O)O MCULE-1815568719 [0,2,0,0,0,0|1,0,1]=4 3881 B7R0.16 C=C(C)C(N)C(=O)O MCULE-2839869274 [0,2,0,0,0,0|1,0,1]=4 3882 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5015326828 [0,2,0,0,0,0|1,0,1]=4 3883 B7R0.16 C=C(C)C(N)C(=O)O MCULE-5043630144 [0,2,0,0,0,0|1,0,1]=4 3884 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-2007035571 [0,2,0,0,0,0|1,0,1]=4 3885 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-6240689602 [0,2,0,0,0,0|1,0,1]=4 3886 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-8025014656 [0,2,0,0,0,0|1,0,1]=4 3887 B7R0.16 C=C(C)[C@@H](N)C(=O)O MCULE-9704891439 [0,2,0,0,0,0|1,0,1]=4 3888 B7R0.16 CC(=O)C(Br)C(C)C MCULE-2864707278 [0,2,0,0,0,0|2,0,0]=4 3889 B7R0.16 CC(=O)C(Cl)C(C)C MCULE-2825069638 [0,2,0,0,0,0|2,0,0]=4 3890 B7R0.16 CC(Br)C(Br)C(=O)O MCULE-8605068480 [0,2,0,0,0,0|1,0,0]=3 3891 B7R0.16 CC(Br)C(O)C(=O)O MCULE-8231714451 [0,2,0,0,0,0|1,0,0]=3 3892 B7R0.16 CC(C(=O)N)C(=O)N MCULE-4912037399 [0,2,0,0,0,0|1,0,1]=4 3893 B7R0.16 CC(C(=O)O)C(=O)O MCULE-7232226851 [0,2,0,0,0,0|1,0,1]=4 3894 B7R0.16 CC(C(=O)O)N(C)C MCULE-2658921782 [0,2,0,0,0,0|2,0,0]=4 3895 B7R0.16 CC(C(=O)O)N(C)C MCULE-4457336101 [0,2,0,0,0,0|2,0,0]=4 3896 B7R0.16 CC(C(=O)O)N(C)N MCULE-1182323460 [0,2,0,0,0,0|1,0,0]=3 3897 B7R0.16 CC(C)C(=O)C(=O)O MCULE-9877767821 [0,2,0,0,0,0|1,0,1]=4 3898 B7R0.16 CC(C)C(Br)C(=O)Br MCULE-7135511419 [0,2,0,0,0,0|2,0,0]=4 3899 B7R0.16 CC(C)C(Br)C(=O)Cl MCULE-7468132927 [0,2,0,0,0,0|2,0,0]=4 3900 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,2,0,0,0,0|2,0,0]=4 3901 B7R0.16 CC(C)C(Br)C(=O)O MCULE-7284929535 [0,2,0,0,0,0|1,0,0]=3 3902 B7R0.16 CC(C)C(Br)C(=O)O MCULE-8100016953 [0,2,0,0,0,0|1,0,0]=3 3903 B7R0.16 CC(C)C(C)C(=O)Cl MCULE-4466867108 [0,2,0,0,0,0|2,0,0]=4 3904 B7R0.16 CC(C)C(C)C(=O)O MCULE-4998524686 [0,2,0,0,0,0|1,0,0]=3 3905 B7R0.16 CC(C)C(Cl)C(=O)Cl MCULE-8764699774 [0,2,0,0,0,0|2,0,0]=4 3906 B7R0.16 CC(C)C(Cl)C(=O)O MCULE-8634615546 [0,2,0,0,0,0|1,0,0]=3 3907 B7R0.16 CC(C)C(F)C(=O)O MCULE-5644342535 [0,2,0,0,0,0|1,0,0]=3 3908 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,2,0,0,0,0|2,0,0]=4 3909 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,2,0,0,0,0|2,0,0]=4 3910 B7R0.16 CC(C)C(N)C(=O)O MCULE-8140660263 [0,2,0,0,0,0|1,0,0]=3 3911 B7R0.16 CC(C)C(N)C(=O)O MCULE-9199801639 [0,2,0,0,0,0|1,0,0]=3 3912 B7R0.16 CC(C)C(O)C(=O)O MCULE-6517225229 [0,2,0,0,0,0|1,0,0]=3 3913 B7R0.16 CC(C)C(O)C(=O)O MCULE-7748605101 [0,2,0,0,0,0|1,0,0]=3 3914 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-2705531785 [0,2,0,0,0,0|1,0,0]=3 3915 B7R0.16 CC(C)[C@@H](Br)C(=O)O MCULE-7570119486 [0,2,0,0,0,0|1,0,0]=3 3916 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,2,0,0,0,0|2,0,0]=4 3917 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,2,0,0,0,0|2,0,0]=4 3918 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,2,0,0,0,0|2,0,0]=4 3919 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,2,0,0,0,0|2,0,0]=4 3920 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-1338052740 [0,2,0,0,0,0|1,0,0]=3 3921 B7R0.16 CC(C)[C@@H](N)C(=O)O MCULE-2459930572 [0,2,0,0,0,0|1,0,0]=3 3922 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-7719048521 [0,2,0,0,0,0|1,0,0]=3 3923 B7R0.16 CC(C)[C@@H](O)C(=O)O MCULE-9864796653 [0,2,0,0,0,0|1,0,0]=3 3924 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-4863317096 [0,2,0,0,0,0|1,0,0]=3 3925 B7R0.16 CC(C)[C@H](Br)C(=O)O MCULE-8695526864 [0,2,0,0,0,0|1,0,0]=3 3926 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-4413397700 [0,2,0,0,0,0|1,0,0]=3 3927 B7R0.16 CC(C)[C@H](C)C(=O)O MCULE-6269612306 [0,2,0,0,0,0|1,0,0]=3 3928 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8084934210 [0,2,0,0,0,0|1,0,0]=3 3929 B7R0.16 CC(C)[C@H](Cl)C(=O)O MCULE-8307595659 [0,2,0,0,0,0|1,0,0]=3 3930 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,2,0,0,0,0|2,0,0]=4 3931 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,2,0,0,0,0|2,0,0]=4 3932 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,2,0,0,0,0|2,0,0]=4 3933 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,2,0,0,0,0|2,0,0]=4 3934 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,2,0,0,0,0|2,0,0]=4 3935 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,2,0,0,0,0|2,0,0]=4 3936 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-2507309072 [0,2,0,0,0,0|1,0,0]=3 3937 B7R0.16 CC(C)[C@H](N)C(=O)O MCULE-9143825935 [0,2,0,0,0,0|1,0,0]=3 3938 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-1975771806 [0,2,0,0,0,0|1,0,0]=3 3939 B7R0.16 CC(C)[C@H](O)C(=O)O MCULE-4070611738 [0,2,0,0,0,0|1,0,0]=3 3940 B7R0.16 CC(F)C(N)C(=O)O MCULE-8810968604 [0,2,0,0,0,0|1,0,0]=3 3941 B7R0.16 CC(N)C(C)C(=O)O MCULE-2921617741 [0,2,0,0,0,0|0,0,0]=2 3942 B7R0.16 CC(N)C(C)C(=O)O MCULE-8511267926 [0,2,0,0,0,0|0,0,0]=2 3943 B7R0.16 CC(N)C(O)C(=O)O MCULE-1086139043 [0,2,0,0,0,0|0,0,0]=2 3944 B7R0.16 CC(N)C(O)C(=O)O MCULE-6405300346 [0,2,0,0,0,0|0,0,0]=2 3945 B7R0.16 CC(O)C(C)C(=O)O MCULE-2499360516 [0,2,0,0,0,0|1,0,0]=3 3946 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,2,0,0,0,0|2,0,0]=4 3947 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,2,0,0,0,0|2,0,0]=4 3948 B7R0.16 CC(O)C(N)C(=O)O MCULE-1563595722 [0,2,0,0,0,0|1,0,0]=3 3949 B7R0.16 CC(O)C(N)C(=O)O MCULE-5581920538 [0,2,0,0,0,0|1,0,0]=3 3950 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-1371350024 [0,2,0,0,0,0|2,0,0]=4 3951 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-2001661938 [0,2,0,0,0,0|2,0,0]=4 3952 B7R0.16 C[C@@H](C(=O)O)N(C)C MCULE-6789128261 [0,2,0,0,0,0|2,0,0]=4 3953 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O MCULE-5302456851 [0,2,0,0,0,0|0,0,0]=2 3954 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-1663687439 [0,2,0,0,0,0|1,0,0]=3 3955 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-3863591433 [0,2,0,0,0,0|1,0,0]=3 3956 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-8080019797 [0,2,0,0,0,0|1,0,0]=3 3957 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O MCULE-9284411012 [0,2,0,0,0,0|1,0,0]=3 3958 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,2,0,0,0,0|2,0,0]=4 3959 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,2,0,0,0,0|2,0,0]=4 3960 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,2,0,0,0,0|2,0,0]=4 3961 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,2,0,0,0,0|2,0,0]=4 3962 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,2,0,0,0,0|2,0,0]=4 3963 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,2,0,0,0,0|2,0,0]=4 3964 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2430667007 [0,2,0,0,0,0|1,0,0]=3 3965 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-2676185993 [0,2,0,0,0,0|1,0,0]=3 3966 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5254477364 [0,2,0,0,0,0|1,0,0]=3 3967 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-5505393195 [0,2,0,0,0,0|1,0,0]=3 3968 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O MCULE-7379719940 [0,2,0,0,0,0|1,0,0]=3 3969 B7R0.16 C[C@@H](O)[C@H](O)C(=O)O MCULE-9383777855 [0,2,0,0,0,0|1,0,0]=3 3970 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-2210848569 [0,2,0,0,0,0|2,0,0]=4 3971 B7R0.16 C[C@H](C(=O)O)N(C)C MCULE-5148086527 [0,2,0,0,0,0|2,0,0]=4 3972 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2245171795 [0,2,0,0,0,0|0,0,0]=2 3973 B7R0.16 C[C@H](C(=O)O)[C@@H](C)N MCULE-2727261050 [0,2,0,0,0,0|0,0,0]=2 3974 B7R0.16 C[C@H](C(=O)O)[C@@H](C)O MCULE-8875933839 [0,2,0,0,0,0|1,0,0]=3 3975 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O MCULE-9507122128 [0,2,0,0,0,0|0,0,0]=2 3976 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-2574349608 [0,2,0,0,0,0|0,0,0]=2 3977 B7R0.16 C[C@H](N)[C@@H](O)C(=O)O MCULE-6297204649 [0,2,0,0,0,0|0,0,0]=2 3978 B7R0.16 C[C@H](N)[C@H](N)C(=O)O MCULE-3178389621 [0,2,0,0,0,0|0,0,0]=2 3979 B7R0.16 C[C@H](O)C(N)C(=O)O MCULE-6661175670 [0,2,0,0,0,0|1,0,0]=3 3980 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-6288272506 [0,2,0,0,0,0|1,0,0]=3 3981 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-7203096302 [0,2,0,0,0,0|1,0,0]=3 3982 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O MCULE-9531951265 [0,2,0,0,0,0|1,0,0]=3 3983 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-2246314901 [0,2,0,0,0,0|1,0,0]=3 3984 B7R0.16 C[C@H](O)[C@H](N)C(=O)O MCULE-9478987169 [0,2,0,0,0,0|1,0,0]=3 3985 B7R0.16 NC(=O)C(Br)C(=O)N MCULE-7519162871 [0,2,0,0,0,0|1,0,1]=4 3986 B7R0.16 NC(=O)C(N)C(=O)N MCULE-5338329205 [0,2,0,0,0,0|1,0,1]=4 3987 B7R0.16 NC(C(=O)O)C(=O)O MCULE-6118746267 [0,2,0,0,0,0|1,0,1]=4 3988 B7R0.16 O=C(O)C(=O)C(Br)Br MCULE-6847251467 [0,2,0,0,0,0|1,0,1]=4 3989 B7R0.16 O=C(O)C(Cl)C(=O)O MCULE-9776364495 [0,2,0,0,0,0|1,0,1]=4 3990 B7R0.16 O=C(O)C(F)C(=O)O MCULE-9969055570 [0,2,0,0,0,0|1,0,1]=4 3991 B7R0.16 O=C(O)C(O)C(=O)O MCULE-4232935518 [0,2,0,0,0,0|1,0,1]=4 3992 B7R0.16 O=C(O)C(O)C(F)F MCULE-6750020534 [0,2,0,0,0,0|1,0,0]=3 3993 B7R0.13 C#CC(C)(C)C(=O)O MCULE-4971472343 [0,2,0,0,0,0|1,0,1]=4 3994 B7R0.13 C=CC(C)(C)C(=O)O MCULE-4029204507 [0,2,0,0,0,0|1,0,1]=4 3995 B7R0.13 C=CC(C)(O)C(=O)O MCULE-2362688567 [0,2,0,0,0,0|1,0,1]=4 3996 B7R0.13 C=C[C@@](C)(N)C(=O)O MCULE-4703482436 [0,2,0,0,0,0|1,0,1]=4 3997 B7R0.13 CC(=O)C(C)(C)CO MCULE-7885820738 [0,2,0,0,0,0|2,0,0]=4 3998 B7R0.13 CC(=O)C(F)(F)CBr MCULE-6144124710 [0,2,0,0,0,0|2,0,0]=4 3999 B7R0.13 CC(Br)(CBr)C(=O)O MCULE-1859698457 [0,2,0,0,0,0|1,0,0]=3 4000 B7R0.13 CC(C)(C#N)C(=O)O MCULE-8297007076 [0,2,0,0,0,0|0,0,2]=4 4001 B7R0.13 CC(C)(CBr)C(=O)Cl MCULE-2173837084 [0,2,0,0,0,0|2,0,0]=4 4002 B7R0.13 CC(C)(CBr)C(=O)F MCULE-3596602192 [0,2,0,0,0,0|2,0,0]=4 4003 B7R0.13 CC(C)(CBr)C(=O)N MCULE-5685972374 [0,2,0,0,0,0|2,0,0]=4 4004 B7R0.13 CC(C)(CBr)C(=O)O MCULE-2715950010 [0,2,0,0,0,0|1,0,0]=3 4005 B7R0.13 CC(C)(CCl)C(=O)O MCULE-2346120215 [0,2,0,0,0,0|1,0,0]=3 4006 B7R0.13 CC(C)(CF)C(=O)O MCULE-5866229087 [0,2,0,0,0,0|1,0,0]=3 4007 B7R0.13 CC(C)(CN)C(=O)N MCULE-6885361465 [0,2,0,0,0,0|1,0,0]=3 4008 B7R0.13 CC(C)(CN)C(=O)O MCULE-1750685187 [0,2,0,0,0,0|0,0,0]=2 4009 B7R0.13 CC(C)(CN)C(=O)O MCULE-7138204669 [0,2,0,0,0,0|0,0,0]=2 4010 B7R0.13 CC(C)(CO)C(=O)O MCULE-8700273400 [0,2,0,0,0,0|1,0,0]=3 4011 B7R0.13 CC(C)(ON)C(=O)O MCULE-3628409953 [0,2,0,0,0,0|1,0,0]=3 4012 B7R0.13 CC(C)(ON)C(=O)O MCULE-4840137554 [0,2,0,0,0,0|1,0,0]=3 4013 B7R0.13 CC(Cl)(CCl)C(=O)O MCULE-9297172670 [0,2,0,0,0,0|1,0,0]=3 4014 B7R0.13 CC(N)(CO)C(=O)O MCULE-5973815630 [0,2,0,0,0,0|1,0,0]=3 4015 B7R0.13 CC(N)(CO)C(=O)O MCULE-6877149014 [0,2,0,0,0,0|1,0,0]=3 4016 B7R0.13 CC(N)(CS)C(=O)O MCULE-4669241619 [0,2,0,0,0,0|1,0,0]=3 4017 B7R0.13 CC(N)(CS)C(=O)O MCULE-8539612367 [0,2,0,0,0,0|1,0,0]=3 4018 B7R0.13 CC(O)(CBr)C(=O)O MCULE-4224343890 [0,2,0,0,0,0|1,0,0]=3 4019 B7R0.13 CC(O)(CBr)C(=O)O MCULE-5597565903 [0,2,0,0,0,0|1,0,0]=3 4020 B7R0.13 CC(O)(CO)C(=O)O MCULE-5566145169 [0,2,0,0,0,0|1,0,0]=3 4021 B7R0.13 CC(O)C(C)(C)CN MCULE-2675460571 [0,2,0,0,0,0|1,0,1]=4 4022 B7R0.13 CCC(C)(Br)C(=O)Br MCULE-8711399189 [0,2,0,0,0,0|2,0,0]=4 4023 B7R0.13 CCC(C)(Br)C(=O)O MCULE-2564629085 [0,2,0,0,0,0|1,0,0]=3 4024 B7R0.13 CCC(C)(C)C(=O)C MCULE-3647111938 [0,2,0,0,0,0|2,0,0]=4 4025 B7R0.13 CCC(C)(C)C(=O)Cl MCULE-7950206740 [0,2,0,0,0,0|2,0,0]=4 4026 B7R0.13 CCC(C)(C)C(=O)O MCULE-2539552186 [0,2,0,0,0,0|1,0,0]=3 4027 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,2,0,0,0,0|2,0,0]=4 4028 B7R0.13 CCC(C)(N)C(=O)O MCULE-4944905519 [0,2,0,0,0,0|1,0,0]=3 4029 B7R0.13 CCC(C)(N)C(=O)O MCULE-8684474701 [0,2,0,0,0,0|1,0,0]=3 4030 B7R0.13 CCC(C)(N)C(=O)O MCULE-9925925283 [0,2,0,0,0,0|1,0,0]=3 4031 B7R0.13 CCC(C)(O)C(=O)C MCULE-5532598723 [0,2,0,0,0,0|2,0,0]=4 4032 B7R0.13 CCC(C)(O)C(=O)Cl MCULE-2893490565 [0,2,0,0,0,0|2,0,0]=4 4033 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,2,0,0,0,0|2,0,0]=4 4034 B7R0.13 CCC(C)(O)C(=O)O MCULE-1193062860 [0,2,0,0,0,0|1,0,0]=3 4035 B7R0.13 CCC(F)(Br)C(=O)O MCULE-8280947459 [0,2,0,0,0,0|1,0,0]=3 4036 B7R0.13 CCC(F)(F)C(=O)O MCULE-3712601150 [0,2,0,0,0,0|1,0,0]=3 4037 B7R0.13 CCC(F)(F)C(=O)[O-] MCULE-3572838764 [0,2,0,0,0,0|1,0,1]=4 4038 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4076270773 [0,2,0,0,0,0|1,0,0]=3 4039 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-4696366287 [0,2,0,0,0,0|1,0,0]=3 4040 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-7243626223 [0,2,0,0,0,0|1,0,0]=3 4041 B7R0.13 CC[C@@](C)(N)C(=O)O MCULE-8928070809 [0,2,0,0,0,0|1,0,0]=3 4042 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-1912860688 [0,2,0,0,0,0|1,0,0]=3 4043 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-3601494140 [0,2,0,0,0,0|1,0,0]=3 4044 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-4886902354 [0,2,0,0,0,0|1,0,0]=3 4045 B7R0.13 CC[C@](C)(N)C(=O)O MCULE-8271138085 [0,2,0,0,0,0|1,0,0]=3 4046 B7R0.13 CC[C@](C)(O)C(=O)O MCULE-3871181536 [0,2,0,0,0,0|1,0,0]=3 4047 B7R0.13 CNC(C)(C)C(=O)O MCULE-7551663553 [0,2,0,0,0,0|2,0,0]=4 4048 B7R0.13 CNC(C)(C)C(=O)O MCULE-9856262226 [0,2,0,0,0,0|2,0,0]=4 4049 B7R0.13 COC(C)(C)C(=O)O MCULE-6977996423 [0,2,0,0,0,0|2,0,0]=4 4050 B7R0.13 CSC(C)(C)C(=O)O MCULE-1032417728 [0,2,0,0,0,0|2,0,0]=4 4051 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-2146963065 [0,2,0,0,0,0|1,0,0]=3 4052 B7R0.13 C[C@@](N)(CO)C(=O)O MCULE-7622447669 [0,2,0,0,0,0|1,0,0]=3 4053 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2627761655 [0,2,0,0,0,0|1,0,0]=3 4054 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-2887268414 [0,2,0,0,0,0|1,0,0]=3 4055 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-6190318443 [0,2,0,0,0,0|1,0,0]=3 4056 B7R0.13 C[C@@](N)(CS)C(=O)O MCULE-8033021501 [0,2,0,0,0,0|1,0,0]=3 4057 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-2382162129 [0,2,0,0,0,0|1,0,0]=3 4058 B7R0.13 C[C@@](O)(CBr)C(=O)O MCULE-7944927738 [0,2,0,0,0,0|1,0,0]=3 4059 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-2760852916 [0,2,0,0,0,0|1,0,0]=3 4060 B7R0.13 C[C@](N)(CO)C(=O)O MCULE-4734633152 [0,2,0,0,0,0|1,0,0]=3 4061 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-1527310768 [0,2,0,0,0,0|1,0,0]=3 4062 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-4351926054 [0,2,0,0,0,0|1,0,0]=3 4063 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-6261566257 [0,2,0,0,0,0|1,0,0]=3 4064 B7R0.13 C[C@](N)(CS)C(=O)O MCULE-9035242130 [0,2,0,0,0,0|1,0,0]=3 4065 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-1143505996 [0,2,0,0,0,0|1,0,0]=3 4066 B7R0.13 C[C@](O)(CBr)C(=O)O MCULE-7898456152 [0,2,0,0,0,0|1,0,0]=3 4067 B7R0.13 NCC(F)(F)C(=O)N MCULE-1522301920 [0,2,0,0,0,0|1,0,0]=3 4068 B7R0.13 NCC(F)(F)C(=O)N MCULE-2239490291 [0,2,0,0,0,0|1,0,0]=3 4069 B7R0.13 NCC(F)(F)C(=O)O MCULE-3688560337 [0,2,0,0,0,0|0,0,0]=2 4070 B7R0.13 NCC(F)(F)C(=O)O MCULE-9077054646 [0,2,0,0,0,0|0,0,0]=2 4071 B7R0.13 O=C(Cl)C(F)(Cl)CCl MCULE-8770305626 [0,2,0,0,0,0|2,0,0]=4 4072 B7R0.13 O=C(O)C(Cl)(Cl)CCl MCULE-4394770604 [0,2,0,0,0,0|1,0,0]=3 4073 B7R0.13 O=C(O)C(F)(F)CO MCULE-4913704401 [0,2,0,0,0,0|1,0,0]=3 4074 B7R0.14 CC(C)(O)C(F)CN MCULE-4048927334 [0,2,0,0,0,0|1,0,1]=4 4075 B7R0.14 CC(C)(O)C(F)CN MCULE-5250059338 [0,2,0,0,0,0|1,0,1]=4 4076 B7R0.14 CC(C)(O)C(F)CN MCULE-6618174177 [0,2,0,0,0,0|1,0,1]=4 4077 B7R0.14 CC(C)(O)C(O)CN MCULE-5716430192 [0,2,0,0,0,0|1,0,1]=4 4078 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-4206986361 [0,2,0,0,0,0|1,0,1]=4 4079 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-4332950642 [0,2,0,0,0,0|1,0,1]=4 4080 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-5233683424 [0,2,0,0,0,0|1,0,1]=4 4081 B7R0.14 CC(C)(O)[C@@H](F)CN MCULE-9403366864 [0,2,0,0,0,0|1,0,1]=4 4082 B7R0.14 CC(C)(O)[C@H](F)CN MCULE-3837695935 [0,2,0,0,0,0|1,0,1]=4 4083 B7R0.14 CC(C)(O)[C@H](F)CN MCULE-5691809916 [0,2,0,0,0,0|1,0,1]=4 4084 B7R0.14 CC(C)(O)[C@H](F)CN MCULE-5910344650 [0,2,0,0,0,0|1,0,1]=4 4085 B7R0.14 CC(CN)S(=O)(=O)C MCULE-1204117800 [0,2,0,0,0,0|1,0,1]=4 4086 B7R0.14 CC(CN)S(=O)(=O)C MCULE-9235747472 [0,2,0,0,0,0|1,0,1]=4 4087 B7R0.14 CC(CN)S(=O)(=O)N MCULE-6725610665 [0,2,0,0,0,0|1,0,1]=4 4088 B7R0.14 CC(CN)S(=O)(=O)N MCULE-8136533021 [0,2,0,0,0,0|1,0,1]=4 4089 B7R0.14 CCC(C)S(=O)(=O)O MCULE-3403875457 [0,2,0,0,0,0|2,0,0]=4 4090 B7R0.14 CCC(N)P(=O)(O)O MCULE-5746903883 [0,2,0,0,0,0|2,0,0]=4 4091 B7R0.14 CCC(O)S(=O)(=O)O MCULE-8714704624 [0,2,0,0,0,0|2,0,0]=4 4092 B7R0.14 O=S(=O)(O)C(O)CCl MCULE-7097420026 [0,2,0,0,0,0|2,0,0]=4 4093 B7R0.15 C#CC(OC)C(=O)O MCULE-9292798546 [0,2,0,0,0,0|1,0,1]=4 4094 B7R0.15 CC(=O)C(CO)CO MCULE-6408384667 [0,2,0,0,0,0|2,0,0]=4 4095 B7R0.15 CC=C(CC)C(=O)O MCULE-9303879981 [0,2,0,0,0,0|1,0,1]=4 4096 B7R0.15 CCC(C#N)C(=O)O MCULE-4808497444 [0,2,0,0,0,0|1,0,0]=3 4097 B7R0.15 CCC(CC)C(=O)C MCULE-5291760485 [0,2,0,0,0,0|2,0,0]=4 4098 B7R0.15 CCC(CC)C(=O)Cl MCULE-1027070009 [0,2,0,0,0,0|2,0,0]=4 4099 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,2,0,0,0,0|2,0,0]=4 4100 B7R0.15 CCC(CC)C(=O)O MCULE-5236890306 [0,2,0,0,0,0|1,0,0]=3 4101 B7R0.15 CCC(CN)C(=O)O MCULE-3795207054 [0,2,0,0,0,0|0,0,0]=2 4102 B7R0.15 CCC(CN)C(=O)O MCULE-3929048283 [0,2,0,0,0,0|0,0,0]=2 4103 B7R0.15 CCC(CO)C(=O)O MCULE-9435802738 [0,2,0,0,0,0|1,0,0]=3 4104 B7R0.15 CCC(CO)C(=O)[O-] MCULE-4277685135 [0,2,0,0,0,0|1,0,1]=4 4105 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,2,0,0,0,0|2,0,0]=4 4106 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,2,0,0,0,0|2,0,0]=4 4107 B7R0.15 CCC(NC)C(=O)O MCULE-4101988968 [0,2,0,0,0,0|1,0,0]=3 4108 B7R0.15 CCC(NC)C(=O)O MCULE-4491873969 [0,2,0,0,0,0|1,0,0]=3 4109 B7R0.15 CCC(NN)C(=O)O MCULE-8823684595 [0,2,0,0,0,0|1,0,0]=3 4110 B7R0.15 CCC(NO)C(=O)O MCULE-1962461048 [0,2,0,0,0,0|1,0,0]=3 4111 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,2,0,0,0,0|2,0,0]=4 4112 B7R0.15 CCC(OC)C(=O)O MCULE-2475290794 [0,2,0,0,0,0|1,0,0]=3 4113 B7R0.15 CCC(SC)C(=O)O MCULE-3373016779 [0,2,0,0,0,0|1,0,0]=3 4114 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-3190659348 [0,2,0,0,0,0|0,0,0]=2 4115 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-5613487575 [0,2,0,0,0,0|0,0,0]=2 4116 B7R0.15 CC[C@@H](CN)C(=O)O MCULE-6726398435 [0,2,0,0,0,0|0,0,0]=2 4117 B7R0.15 CC[C@H](CN)C(=O)O MCULE-2222410753 [0,2,0,0,0,0|0,0,0]=2 4118 B7R0.15 CC[C@H](CN)C(=O)O MCULE-3153536523 [0,2,0,0,0,0|0,0,0]=2 4119 B7R0.15 CC[C@H](CO)C(=O)O MCULE-3017159819 [0,2,0,0,0,0|1,0,0]=3 4120 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,2,0,0,0,0|2,0,0]=4 4121 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,2,0,0,0,0|2,0,0]=4 4122 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,2,0,0,0,0|2,0,0]=4 4123 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,2,0,0,0,0|2,0,0]=4 4124 B7R0.15 CNC(CN)C(=O)N MCULE-4431940195 [0,2,0,0,0,0|1,0,0]=3 4125 B7R0.15 CNC(CO)C(=O)O MCULE-1439435474 [0,2,0,0,0,0|1,0,0]=3 4126 B7R0.15 CNC(CO)C(=O)O MCULE-7611211207 [0,2,0,0,0,0|1,0,0]=3 4127 B7R0.15 CNC(CS)C(=O)O MCULE-4817727684 [0,2,0,0,0,0|1,0,0]=3 4128 B7R0.15 CNC(CS)C(=O)O MCULE-5741984055 [0,2,0,0,0,0|1,0,0]=3 4129 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3196852022 [0,2,0,0,0,0|0,0,0]=2 4130 B7R0.15 CN[C@@H](CN)C(=O)O MCULE-3690177999 [0,2,0,0,0,0|0,0,0]=2 4131 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-3320307572 [0,2,0,0,0,0|1,0,0]=3 4132 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-5844994620 [0,2,0,0,0,0|1,0,0]=3 4133 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6293854138 [0,2,0,0,0,0|1,0,0]=3 4134 B7R0.15 CN[C@@H](CO)C(=O)O MCULE-6463850730 [0,2,0,0,0,0|1,0,0]=3 4135 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-3043115433 [0,2,0,0,0,0|1,0,0]=3 4136 B7R0.15 CN[C@@H](CS)C(=O)O MCULE-8814760080 [0,2,0,0,0,0|1,0,0]=3 4137 B7R0.15 CN[C@H](CO)C(=O)O MCULE-1791141182 [0,2,0,0,0,0|1,0,0]=3 4138 B7R0.15 CN[C@H](CO)C(=O)O MCULE-9346314213 [0,2,0,0,0,0|1,0,0]=3 4139 B7R0.15 COC(CBr)C(=O)O MCULE-5528365617 [0,2,0,0,0,0|1,0,0]=3 4140 B7R0.15 COC(CN)C(=O)N MCULE-3215392526 [0,2,0,0,0,0|1,0,0]=3 4141 B7R0.15 COC(CN)C(=O)O MCULE-1561937449 [0,2,0,0,0,0|0,0,0]=2 4142 B7R0.15 COC(CN)C(=O)O MCULE-7501291426 [0,2,0,0,0,0|0,0,0]=2 4143 B7R0.15 COC(OC)C(=O)O MCULE-3341727181 [0,2,0,0,0,0|2,0,0]=4 4144 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-5536624827 [0,2,0,0,0,0|0,0,0]=2 4145 B7R0.15 CO[C@@H](CN)C(=O)O MCULE-6198841067 [0,2,0,0,0,0|0,0,0]=2 4146 B7R0.15 N#CC(CN)C(=O)O MCULE-3513807694 [0,2,0,0,0,0|0,0,0]=2 4147 B7R0.15 NCC(CO)C(=O)O MCULE-5510878508 [0,2,0,0,0,0|0,0,0]=2 4148 B7R0.15 NCC(CO)C(=O)O MCULE-9991285445 [0,2,0,0,0,0|0,0,0]=2 4149 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-4607648703 [0,2,0,0,0,0|0,0,0]=2 4150 B7R0.15 NC[C@@H](CO)C(=O)O MCULE-8943978569 [0,2,0,0,0,0|0,0,0]=2 4151 B7R0.15 NC[C@H](CO)C(=O)O MCULE-8459713640 [0,2,0,0,0,0|0,0,0]=2 4152 B7R0.15 O=C(O)C(CBr)CBr MCULE-5180730979 [0,2,0,0,0,0|1,0,0]=3 4153 B7R0.15 O=C(O)C(CS)CS MCULE-3175815620 [0,2,0,0,0,0|1,0,0]=3 4154 B7R0.15 O=C(O)[C@H](CO)NP MCULE-8418001133 [0,2,0,0,0,0|1,0,0]=3 4155 B7R0.4 C#CCCCC(=O)C MCULE-9860822800 [0,2,0,0,0,0|2,0,0]=4 4156 B7R0.4 C#CCCCC(=O)Cl MCULE-8504740573 [0,2,0,0,0,0|2,0,0]=4 4157 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,2,0,0,0,0|2,0,0]=4 4158 B7R0.4 C#CCCCC(=O)O MCULE-7464892335 [0,2,0,0,0,0|1,0,0]=3 4159 B7R0.4 C#CCCNC(=O)C MCULE-2003551338 [0,2,0,0,0,0|2,0,0]=4 4160 B7R0.4 C#CCCNC(=O)N MCULE-3889590992 [0,2,0,0,0,0|2,0,0]=4 4161 B7R0.4 C#CCCOC(=O)Cl MCULE-5894719916 [0,2,0,0,0,0|2,0,0]=4 4162 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [0,2,0,0,0,0|2,0,0]=4 4163 B7R0.4 C#CCNCC(=O)O MCULE-3308171795 [0,2,0,0,0,0|1,0,0]=3 4164 B7R0.4 C#CCNCC(=O)O MCULE-7200045848 [0,2,0,0,0,0|1,0,0]=3 4165 B7R0.4 C#CCOCC(=O)O MCULE-7164718181 [0,2,0,0,0,0|1,0,0]=3 4166 B7R0.4 C#CCSCC(=O)O MCULE-4337210412 [0,2,0,0,0,0|1,0,0]=3 4167 B7R0.4 C(=C/C(=O)O)\CCC MCULE-7580507705 [0,2,0,0,0,0|1,0,0]=3 4168 B7R0.4 C(=C/CC(=O)O)\CC MCULE-2731794411 [0,2,0,0,0,0|1,0,0]=3 4169 B7R0.4 C=C=CCCC(=O)O MCULE-4179366971 [0,2,0,0,0,0|1,0,0]=3 4170 B7R0.4 C=CCCCC(=O)Cl MCULE-9125909850 [0,2,0,0,0,0|2,0,0]=4 4171 B7R0.4 C=CCCCC(=O)O MCULE-6043142578 [0,2,0,0,0,0|1,0,0]=3 4172 B7R0.4 C=CCCOC(=O)C MCULE-4554969214 [0,2,0,0,0,0|2,0,0]=4 4173 B7R0.4 C=CCCOC(=O)Cl MCULE-1917342500 [0,2,0,0,0,0|2,0,0]=4 4174 B7R0.4 C=CCNCC(=O)O MCULE-2925626447 [0,2,0,0,0,0|1,0,0]=3 4175 B7R0.4 C=CCNCC(=O)O MCULE-6980667867 [0,2,0,0,0,0|1,0,0]=3 4176 B7R0.4 C=CCOCC(=O)O MCULE-1419435306 [0,2,0,0,0,0|1,0,0]=3 4177 B7R0.4 C=CCSCC(=O)O MCULE-1950424629 [0,2,0,0,0,0|1,0,0]=3 4178 B7R0.4 CC#CCCC(=O)O MCULE-1415388780 [0,2,0,0,0,0|1,0,0]=3 4179 B7R0.4 CC(=O)CCCC#N MCULE-5884370871 [0,2,0,0,0,0|1,0,1]=4 4180 B7R0.4 CC(=O)CCCCBr MCULE-8801446022 [0,2,0,0,0,0|2,0,0]=4 4181 B7R0.4 CC(=O)CCCCCl MCULE-2883443563 [0,2,0,0,0,0|2,0,0]=4 4182 B7R0.4 CC(=O)CCCCO MCULE-9846338144 [0,2,0,0,0,0|2,0,0]=4 4183 B7R0.4 CC(=O)CCN=N#N MCULE-3526103207 [0,2,0,0,0,0|1,0,1]=4 4184 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [0,2,0,0,0,0|2,0,0]=4 4185 B7R0.4 CC(=O)NCCC#N MCULE-1781318297 [0,2,0,0,0,0|1,0,1]=4 4186 B7R0.4 CC(=O)NCCC=O MCULE-1907633123 [0,2,0,0,0,0|2,0,0]=4 4187 B7R0.4 CC(=O)NCCCBr MCULE-5421597540 [0,2,0,0,0,0|2,0,0]=4 4188 B7R0.4 CC(=O)NCCCCl MCULE-4056331581 [0,2,0,0,0,0|2,0,0]=4 4189 B7R0.4 CC(=O)NCCCN MCULE-6321543480 [0,2,0,0,0,0|1,0,0]=3 4190 B7R0.4 CC(=O)NCCCN MCULE-8441492497 [0,2,0,0,0,0|1,0,0]=3 4191 B7R0.4 CC(=O)NCCCO MCULE-5627003249 [0,2,0,0,0,0|2,0,0]=4 4192 B7R0.4 CC(=O)NCCON MCULE-3703048482 [0,2,0,0,0,0|1,0,0]=3 4193 B7R0.4 CC(=O)OCCCBr MCULE-4735159476 [0,2,0,0,0,0|2,0,0]=4 4194 B7R0.4 CC(=O)OCCCCl MCULE-4801419214 [0,2,0,0,0,0|2,0,0]=4 4195 B7R0.4 CC(=O)OCCCI MCULE-5830086336 [0,2,0,0,0,0|2,0,0]=4 4196 B7R0.4 CC(=O)OCCCO MCULE-1423430948 [0,2,0,0,0,0|2,0,0]=4 4197 B7R0.4 CC(=O)OCCCS MCULE-2576827025 [0,2,0,0,0,0|2,0,0]=4 4198 B7R0.4 CC(=O)SCCC#N MCULE-4159295037 [0,2,0,0,0,0|1,0,1]=4 4199 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,2,0,0,0,0|2,0,0]=4 4200 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [0,2,0,0,0,0|2,0,0]=4 4201 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [0,2,0,0,0,0|2,0,0]=4 4202 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [0,2,0,0,0,0|2,0,0]=4 4203 B7R0.4 CC(O)CNCCN MCULE-3904214677 [0,2,0,0,0,0|1,0,1]=4 4204 B7R0.4 CC=CCCC(=O)O MCULE-4275247668 [0,2,0,0,0,0|1,0,0]=3 4205 B7R0.4 CCC/C=C/C(=O)C MCULE-2005171902 [0,2,0,0,0,0|2,0,0]=4 4206 B7R0.4 CCC=CCC(=O)O MCULE-5031939966 [0,2,0,0,0,0|1,0,0]=3 4207 B7R0.4 CCCC#CC(=O)O MCULE-1682387091 [0,2,0,0,0,0|1,0,0]=3 4208 B7R0.4 CCCC=CC(=O)C MCULE-5008490883 [0,2,0,0,0,0|2,0,0]=4 4209 B7R0.4 CCCC=CC(=O)Cl MCULE-6782906777 [0,2,0,0,0,0|2,0,0]=4 4210 B7R0.4 CCCC=CC(=O)O MCULE-6995077492 [0,2,0,0,0,0|1,0,0]=3 4211 B7R0.4 CCCCCC(=O)C MCULE-6017828463 [0,2,0,0,0,0|2,0,0]=4 4212 B7R0.4 CCCCCC(=O)Cl MCULE-5446850478 [0,2,0,0,0,0|2,0,0]=4 4213 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,2,0,0,0,0|2,0,0]=4 4214 B7R0.4 CCCCCC(=O)O MCULE-1671810139 [0,2,0,0,0,0|1,0,0]=3 4215 B7R0.4 CCCCCC(=O)[O-] MCULE-5310584661 [0,2,0,0,0,0|1,0,1]=4 4216 B7R0.4 CCCCCC(=O)[O-] MCULE-9495078126 [0,2,0,0,0,0|1,0,1]=4 4217 B7R0.4 CCCCNC(=O)C MCULE-7266335096 [0,2,0,0,0,0|2,0,0]=4 4218 B7R0.4 CCCCNC(=O)Cl MCULE-2148016012 [0,2,0,0,0,0|2,0,0]=4 4219 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,2,0,0,0,0|2,0,0]=4 4220 B7R0.4 CCCCOC(=O)C MCULE-2107021121 [0,2,0,0,0,0|2,0,0]=4 4221 B7R0.4 CCCCOC(=O)Cl MCULE-5750652482 [0,2,0,0,0,0|2,0,0]=4 4222 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,2,0,0,0,0|2,0,0]=4 4223 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [0,2,0,0,0,0|2,0,0]=4 4224 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [0,2,0,0,0,0|2,0,0]=4 4225 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,2,0,0,0,0|2,0,0]=4 4226 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,2,0,0,0,0|2,0,0]=4 4227 B7R0.4 CCCNCC(=O)O MCULE-4384128915 [0,2,0,0,0,0|1,0,0]=3 4228 B7R0.4 CCCNCC(=O)O MCULE-7537317046 [0,2,0,0,0,0|1,0,0]=3 4229 B7R0.4 CCCOCC(=O)O MCULE-6841640058 [0,2,0,0,0,0|1,0,0]=3 4230 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [0,2,0,0,0,0|2,0,0]=4 4231 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,2,0,0,0,0|1,0,0]=3 4232 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,2,0,0,0,0|1,0,0]=3 4233 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,2,0,0,0,0|1,0,0]=3 4234 B7R0.4 CCNCCC(=O)O MCULE-4226597657 [0,2,0,0,0,0|0,0,0]=2 4235 B7R0.4 CCNCCC(=O)O MCULE-9183951914 [0,2,0,0,0,0|0,0,0]=2 4236 B7R0.4 CCO/C=C/C(=O)O MCULE-6712227034 [0,2,0,0,0,0|1,0,1]=4 4237 B7R0.4 CCOC=CC(=O)O MCULE-4776715351 [0,2,0,0,0,0|1,0,1]=4 4238 B7R0.4 CCOCCC(=O)C MCULE-8449201493 [0,2,0,0,0,0|2,0,0]=4 4239 B7R0.4 CCOCCC(=O)Cl MCULE-8299617790 [0,2,0,0,0,0|2,0,0]=4 4240 B7R0.4 CCOCCC(=O)O MCULE-3962084059 [0,2,0,0,0,0|1,0,0]=3 4241 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [0,2,0,0,0,0|2,0,0]=4 4242 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,2,0,0,0,0|1,0,0]=3 4243 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,2,0,0,0,0|1,0,0]=3 4244 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,2,0,0,0,0|1,0,0]=3 4245 B7R0.4 CNCCCC(=O)O MCULE-7598762485 [0,2,0,0,0,0|0,0,0]=2 4246 B7R0.4 CNCCCC(=O)O MCULE-7877286915 [0,2,0,0,0,0|0,0,0]=2 4247 B7R0.4 CNCCNC(=O)C MCULE-5361712613 [0,2,0,0,0,0|1,0,0]=3 4248 B7R0.4 CNCCNC(=O)C MCULE-9798024696 [0,2,0,0,0,0|1,0,0]=3 4249 B7R0.4 CNCCOC(=O)C MCULE-1850077864 [0,2,0,0,0,0|1,0,0]=3 4250 B7R0.4 CNCCOC(=O)C MCULE-7023987942 [0,2,0,0,0,0|1,0,0]=3 4251 B7R0.4 CNCCSC(=N)N MCULE-4335831899 [0,2,0,0,0,0|2,0,0]=4 4252 B7R0.4 CNCCSC(=N)N MCULE-5500737932 [0,2,0,0,0,0|2,0,0]=4 4253 B7R0.4 COC/C=C/C(=O)O MCULE-7555080897 [0,2,0,0,0,0|1,0,1]=4 4254 B7R0.4 COCC#CC(=O)O MCULE-5896712747 [0,2,0,0,0,0|1,0,1]=4 4255 B7R0.4 COCC=CC(=O)O MCULE-5702384430 [0,2,0,0,0,0|1,0,1]=4 4256 B7R0.4 COCCCC(=O)C MCULE-3606369396 [0,2,0,0,0,0|2,0,0]=4 4257 B7R0.4 COCCCC(=O)O MCULE-3165881573 [0,2,0,0,0,0|1,0,0]=3 4258 B7R0.4 COCCNC(=O)C MCULE-2794263612 [0,2,0,0,0,0|2,0,0]=4 4259 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,2,0,0,0,0|2,0,0]=4 4260 B7R0.4 COCCOC(=O)C MCULE-3221264060 [0,2,0,0,0,0|2,0,0]=4 4261 B7R0.4 COCCOC(=O)Cl MCULE-7308809094 [0,2,0,0,0,0|2,0,0]=4 4262 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,2,0,0,0,0|2,0,0]=4 4263 B7R0.4 CSCC=CC(=O)O MCULE-8220760222 [0,2,0,0,0,0|1,0,1]=4 4264 B7R0.4 CSCCCC(=O)O MCULE-2126637794 [0,2,0,0,0,0|1,0,0]=3 4265 B7R0.4 CSCCNC(=O)C MCULE-2739431878 [0,2,0,0,0,0|2,0,0]=4 4266 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [0,2,0,0,0,0|2,0,0]=4 4267 B7R0.4 CSCCOC(=O)C MCULE-3742242959 [0,2,0,0,0,0|2,0,0]=4 4268 B7R0.4 CSSCCC(=O)O MCULE-6571821309 [0,2,0,0,0,0|1,0,0]=3 4269 B7R0.4 N#CCCCC(=O)O MCULE-9921837071 [0,2,0,0,0,0|0,0,1]=3 4270 B7R0.4 N#CCSCC(=O)O MCULE-4687961137 [0,2,0,0,0,0|0,0,1]=3 4271 B7R0.4 N#CCSCC(=O)[O-] MCULE-2024793830 [0,2,0,0,0,0|0,0,2]=4 4272 B7R0.4 N#N=NCCC(=O)Cl MCULE-3373595758 [0,2,0,0,0,0|1,0,1]=4 4273 B7R0.4 N#N=NCCC(=O)O MCULE-2098979516 [0,2,0,0,0,0|0,0,1]=3 4274 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,2,0,0,0,0|2,0,0]=4 4275 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,2,0,0,0,0|2,0,0]=4 4276 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,2,0,0,0,0|2,0,0]=4 4277 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,2,0,0,0,0|2,0,0]=4 4278 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,2,0,0,0,0|2,0,0]=4 4279 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,2,0,0,0,0|2,0,0]=4 4280 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,2,0,0,0,0|2,0,0]=4 4281 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,2,0,0,0,0|1,0,0]=3 4282 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,2,0,0,0,0|1,0,0]=3 4283 B7R0.4 NCCCCC(=O)O MCULE-1155829905 [0,2,0,0,0,0|0,0,0]=2 4284 B7R0.4 NCCCCC(=O)O MCULE-3920398524 [0,2,0,0,0,0|0,0,0]=2 4285 B7R0.4 NCCCCC(=O)O MCULE-4404796498 [0,2,0,0,0,0|0,0,0]=2 4286 B7R0.4 NCCCCC(=O)O MCULE-4971679857 [0,2,0,0,0,0|0,0,0]=2 4287 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,2,0,0,0,0|1,0,0]=3 4288 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,2,0,0,0,0|1,0,0]=3 4289 B7R0.4 NCCCOS(=O)O MCULE-8389295774 [0,2,0,0,0,0|1,0,0]=3 4290 B7R0.4 NCCNCC(=O)O MCULE-9689592343 [0,2,0,0,0,0|0,0,0]=2 4291 B7R0.4 NCCNCC(=O)O MCULE-9795251557 [0,2,0,0,0,0|0,0,0]=2 4292 B7R0.4 NCCOCC(=O)O MCULE-2375694645 [0,2,0,0,0,0|0,0,0]=2 4293 B7R0.4 NCCOCC(=O)O MCULE-5877065986 [0,2,0,0,0,0|0,0,0]=2 4294 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,2,0,0,0,0|0,0,0]=2 4295 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,2,0,0,0,0|0,0,0]=2 4296 B7R0.4 NOCCCC(=O)O MCULE-4102473285 [0,2,0,0,0,0|0,0,0]=2 4297 B7R0.4 NOCCCC(=O)O MCULE-7068985203 [0,2,0,0,0,0|0,0,0]=2 4298 B7R0.4 O=C(Cl)CCCCBr MCULE-5574450546 [0,2,0,0,0,0|2,0,0]=4 4299 B7R0.4 O=C(Cl)CCCCCl MCULE-9605707894 [0,2,0,0,0,0|2,0,0]=4 4300 B7R0.4 O=C(Cl)CCCCF MCULE-8110878511 [0,2,0,0,0,0|2,0,0]=4 4301 B7R0.4 O=C(Cl)COCCCl MCULE-9707252778 [0,2,0,0,0,0|2,0,0]=4 4302 B7R0.4 O=C(Cl)OCCCCl MCULE-2619287385 [0,2,0,0,0,0|2,0,0]=4 4303 B7R0.4 O=C(Cl)OCCCF MCULE-4930474319 [0,2,0,0,0,0|2,0,0]=4 4304 B7R0.4 O=C(O)C#CCCO MCULE-5211042941 [0,2,0,0,0,0|1,0,0]=3 4305 B7R0.4 O=C(O)CCC=CBr MCULE-1826887170 [0,2,0,0,0,0|1,0,0]=3 4306 B7R0.4 O=C(O)CCCCBr MCULE-2655919094 [0,2,0,0,0,0|1,0,0]=3 4307 B7R0.4 O=C(O)CCCCCl MCULE-4094641005 [0,2,0,0,0,0|1,0,0]=3 4308 B7R0.4 O=C(O)CCCCO MCULE-8816195933 [0,2,0,0,0,0|1,0,0]=3 4309 B7R0.4 O=C(O)CCCCS MCULE-2427465795 [0,2,0,0,0,0|1,0,0]=3 4310 B7R0.4 O=C(O)CNCCO MCULE-7501311949 [0,2,0,0,0,0|1,0,0]=3 4311 B7R0.4 O=C(O)COCCBr MCULE-4593325557 [0,2,0,0,0,0|1,0,0]=3 4312 B7R0.4 O=C(O)COCCCl MCULE-2978816248 [0,2,0,0,0,0|1,0,0]=3 4313 B7R0.4 O=C(O)COCCF MCULE-9820799514 [0,2,0,0,0,0|1,0,0]=3 4314 B7R0.4 O=C(O)COCCO MCULE-8297137880 [0,2,0,0,0,0|1,0,0]=3 4315 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,2,0,0,0,0|1,0,0]=3 4316 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,2,0,0,0,0|1,0,0]=3 4317 B7R0.4 O=C([O-])CCCCO MCULE-3836827182 [0,2,0,0,0,0|1,0,1]=4 4318 B7R0.4 O=C([O-])COCCO MCULE-7093344226 [0,2,0,0,0,0|1,0,1]=4 4319 B7R0.4 O=C=NCCC(=O)Cl MCULE-4830401558 [0,2,0,0,0,0|1,0,1]=4 4320 B7R0.4 O=CCCCC(=O)O MCULE-8389457571 [0,2,0,0,0,0|1,0,0]=3 4321 B7R0.6 C=C(Br)CCC(=O)O MCULE-5257916083 [0,2,0,0,0,0|1,0,0]=3 4322 B7R0.6 C=C(C)CCC(=O)C MCULE-4201277876 [0,2,0,0,0,0|2,0,0]=4 4323 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,2,0,0,0,0|2,0,0]=4 4324 B7R0.6 C=C(C)CCC(=O)O MCULE-8738532812 [0,2,0,0,0,0|1,0,0]=3 4325 B7R0.6 C=C(C)CCC(C)N MCULE-9861269774 [0,2,0,0,0,0|2,0,0]=4 4326 B7R0.6 C=C(C)NCC(=O)O MCULE-6347105994 [0,2,0,0,0,0|1,0,1]=4 4327 B7R0.6 C=C(Cl)CCC(=O)O MCULE-8617886776 [0,2,0,0,0,0|1,0,0]=3 4328 B7R0.6 CC(=CCC(=O)O)C MCULE-2552993418 [0,2,0,0,0,0|1,0,1]=4 4329 B7R0.6 CC(=O)CCC(=O)C MCULE-3166810473 [0,2,0,0,0,0|2,0,0]=4 4330 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,2,0,0,0,0|1,0,0]=3 4331 B7R0.6 CC(=O)CCC(=O)O MCULE-1392778065 [0,2,0,0,0,0|1,0,0]=3 4332 B7R0.6 CC(=O)CCC(=O)[O-] MCULE-4975344808 [0,2,0,0,0,0|1,0,1]=4 4333 B7R0.6 CC(=O)CCC(C)C MCULE-8518693213 [0,2,0,0,0,0|2,0,0]=4 4334 B7R0.6 CC(=O)CCC(F)F MCULE-3009814756 [0,2,0,0,0,0|2,0,0]=4 4335 B7R0.6 CC(=O)CCN(=O)=O MCULE-4726243654 [0,2,0,0,0,0|1,0,1]=4 4336 B7R0.6 CC(=O)CCN(C)C MCULE-1601022082 [0,2,0,0,0,0|1,0,0]=3 4337 B7R0.6 CC(=O)CCN(C)C MCULE-2933383790 [0,2,0,0,0,0|1,0,0]=3 4338 B7R0.6 CC(=O)CNC(C)C MCULE-2033555652 [0,2,0,0,0,0|2,0,0]=4 4339 B7R0.6 CC(=O)CNC(C)C MCULE-2990661777 [0,2,0,0,0,0|2,0,0]=4 4340 B7R0.6 CC(=O)COC(C)C MCULE-4426769810 [0,2,0,0,0,0|2,0,0]=4 4341 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,2,0,0,0,0|2,0,0]=4 4342 B7R0.6 CC(=O)NCC(=O)N MCULE-7934502236 [0,2,0,0,0,0|1,0,1]=4 4343 B7R0.6 CC(=O)NCC(=O)O MCULE-5811325186 [0,2,0,0,0,0|1,0,1]=4 4344 B7R0.6 CC(=O)NCC(C)O MCULE-2406798273 [0,2,0,0,0,0|2,0,0]=4 4345 B7R0.6 CC(=O)OCC(=O)O MCULE-6837320824 [0,2,0,0,0,0|1,0,1]=4 4346 B7R0.6 CC(=O)OCC(=S)N MCULE-7893306089 [0,2,0,0,0,0|1,0,1]=4 4347 B7R0.6 CC(=O)OCC(C)C MCULE-4530584087 [0,2,0,0,0,0|2,0,0]=4 4348 B7R0.6 CC(=O)OCC(C)O MCULE-3660209140 [0,2,0,0,0,0|2,0,0]=4 4349 B7R0.6 CC(=O)OCC(F)F MCULE-9491615455 [0,2,0,0,0,0|2,0,0]=4 4350 B7R0.6 CC(=O)SCC(=O)O MCULE-1974657694 [0,2,0,0,0,0|1,0,1]=4 4351 B7R0.6 CC(=S)NCC(=O)O MCULE-9052571833 [0,2,0,0,0,0|1,0,1]=4 4352 B7R0.6 CC(C)/C=C/C(=O)O MCULE-1713089516 [0,2,0,0,0,0|1,0,1]=4 4353 B7R0.6 CC(C)C#CC(=O)O MCULE-6919480170 [0,2,0,0,0,0|1,0,1]=4 4354 B7R0.6 CC(C)C=CC(=O)O MCULE-3981825295 [0,2,0,0,0,0|1,0,1]=4 4355 B7R0.6 CC(C)CCC(=O)Cl MCULE-6874903195 [0,2,0,0,0,0|2,0,0]=4 4356 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,2,0,0,0,0|2,0,0]=4 4357 B7R0.6 CC(C)CCC(=O)O MCULE-7691755837 [0,2,0,0,0,0|1,0,0]=3 4358 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,2,0,0,0,0|2,0,0]=4 4359 B7R0.6 CC(C)COC(=O)Cl MCULE-4183178448 [0,2,0,0,0,0|2,0,0]=4 4360 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,2,0,0,0,0|2,0,0]=4 4361 B7R0.6 CC(C)NCC(=O)Cl MCULE-3841055671 [0,2,0,0,0,0|2,0,0]=4 4362 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,2,0,0,0,0|2,0,0]=4 4363 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,2,0,0,0,0|2,0,0]=4 4364 B7R0.6 CC(C)NCC(=O)O MCULE-4344882030 [0,2,0,0,0,0|1,0,0]=3 4365 B7R0.6 CC(C)NCC(=O)O MCULE-7052227156 [0,2,0,0,0,0|1,0,0]=3 4366 B7R0.6 CC(C)OCC(=O)Cl MCULE-5892054766 [0,2,0,0,0,0|2,0,0]=4 4367 B7R0.6 CC(C)OCC(=O)O MCULE-8295905061 [0,2,0,0,0,0|1,0,0]=3 4368 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,2,0,0,0,0|1,0,0]=3 4369 B7R0.6 CC(Cl)CCC(=O)Cl MCULE-3066199297 [0,2,0,0,0,0|2,0,0]=4 4370 B7R0.6 CC(N)CCC(=O)O MCULE-3711689460 [0,2,0,0,0,0|0,0,0]=2 4371 B7R0.6 CC(N)CCC(=O)O MCULE-5008572656 [0,2,0,0,0,0|0,0,0]=2 4372 B7R0.6 CC(N)CCS(=O)C MCULE-2870651099 [0,2,0,0,0,0|2,0,0]=4 4373 B7R0.6 CC(N)CCS(=O)C MCULE-7863963703 [0,2,0,0,0,0|2,0,0]=4 4374 B7R0.6 CC(O)CCC(=O)O MCULE-6352217997 [0,2,0,0,0,0|1,0,0]=3 4375 B7R0.6 CC(O)CCC(=O)[O-] MCULE-5872581098 [0,2,0,0,0,0|1,0,1]=4 4376 B7R0.6 CC(O)CCN(C)C MCULE-7246080230 [0,2,0,0,0,0|1,0,1]=4 4377 B7R0.6 CC(S)CCC(=O)O MCULE-9612173883 [0,2,0,0,0,0|1,0,0]=3 4378 B7R0.6 CN(C)CCC(=N)N MCULE-3452380324 [0,2,0,0,0,0|2,0,0]=4 4379 B7R0.6 CN(C)CCC(=N)N MCULE-7661734671 [0,2,0,0,0,0|2,0,0]=4 4380 B7R0.6 CN(C)CCC(=N)N MCULE-9745909230 [0,2,0,0,0,0|2,0,0]=4 4381 B7R0.6 CN(C)CCC(=O)O MCULE-5553815845 [0,2,0,0,0,0|0,0,0]=2 4382 B7R0.6 CN(C)CCC(=O)O MCULE-7454823322 [0,2,0,0,0,0|0,0,0]=2 4383 B7R0.6 CS(=O)CCC(=O)O MCULE-8243349779 [0,2,0,0,0,0|1,0,0]=3 4384 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-3295260637 [0,2,0,0,0,0|0,0,0]=2 4385 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-5409083898 [0,2,0,0,0,0|0,0,0]=2 4386 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-6530230723 [0,2,0,0,0,0|0,0,0]=2 4387 B7R0.6 C[C@@H](N)CCC(=O)O MCULE-7530095699 [0,2,0,0,0,0|0,0,0]=2 4388 B7R0.6 C[C@@H](O)COC(=O)O MCULE-3794886346 [0,2,0,0,0,0|1,0,0]=3 4389 B7R0.6 C[C@H](N)CCC(=O)O MCULE-3621527632 [0,2,0,0,0,0|0,0,0]=2 4390 B7R0.6 C[C@H](N)CCC(=O)O MCULE-7670557122 [0,2,0,0,0,0|0,0,0]=2 4391 B7R0.6 C[S+](C)CCC(=O)O MCULE-8115187503 [0,2,0,0,0,0|1,0,0]=3 4392 B7R0.6 C[S+](C)CCC(=O)O MCULE-9668037011 [0,2,0,0,0,0|1,0,0]=3 4393 B7R0.6 C[S+](C)CCC(=O)[O-] MCULE-4039981521 [0,2,0,0,0,0|1,0,1]=4 4394 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,2,0,0,0,0|0,0,1]=3 4395 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,2,0,0,0,0|0,0,1]=3 4396 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,2,0,0,0,0|1,0,1]=4 4397 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,2,0,0,0,0|1,0,1]=4 4398 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,2,0,0,0,0|0,0,1]=3 4399 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,2,0,0,0,0|0,0,1]=3 4400 B7R0.6 NC(=O)/C=C/C(=O)O MCULE-4042951919 [0,2,0,0,0,0|0,0,2]=4 4401 B7R0.6 NC(=O)/C=C\C(=O)O MCULE-9066996879 [0,2,0,0,0,0|0,0,2]=4 4402 B7R0.6 NC(=O)C=CC(=O)O MCULE-2401877342 [0,2,0,0,0,0|0,0,2]=4 4403 B7R0.6 NC(=O)CCC(=O)N MCULE-2107382817 [0,2,0,0,0,0|1,0,0]=3 4404 B7R0.6 NC(=O)CCC(=O)O MCULE-5813999826 [0,2,0,0,0,0|0,0,0]=2 4405 B7R0.6 NC(=O)CNC(=S)N MCULE-6504333241 [0,2,0,0,0,0|1,0,1]=4 4406 B7R0.6 NC(=O)NCC(=O)O MCULE-7640310218 [0,2,0,0,0,0|0,0,1]=3 4407 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,2,0,0,0,0|0,0,1]=3 4408 B7R0.6 NC(=S)NCC(=O)O MCULE-7421473219 [0,2,0,0,0,0|0,0,1]=3 4409 B7R0.6 O=C(Cl)CCC(=O)Cl MCULE-6220065982 [0,2,0,0,0,0|2,0,0]=4 4410 B7R0.6 O=C(Cl)OCC(F)F MCULE-4977819635 [0,2,0,0,0,0|2,0,0]=4 4411 B7R0.6 O=C(O)C=CC(F)F MCULE-5853046592 [0,2,0,0,0,0|1,0,1]=4 4412 B7R0.6 O=C(O)CCB(O)O MCULE-9351023222 [0,2,0,0,0,0|1,0,0]=3 4413 B7R0.6 O=C(O)CCC(=O)O MCULE-1233211613 [0,2,0,0,0,0|1,0,0]=3 4414 B7R0.6 O=C(O)CCC(=O)O MCULE-5889111640 [0,2,0,0,0,0|1,0,0]=3 4415 B7R0.6 O=C(O)CCC(F)F MCULE-6002651269 [0,2,0,0,0,0|1,0,0]=3 4416 B7R0.6 O=C(O)CCN(=O)=O MCULE-1879231817 [0,2,0,0,0,0|0,0,1]=3 4417 B7R0.6 O=C(O)COC(F)F MCULE-1418551422 [0,2,0,0,0,0|1,0,0]=3 4418 B7R0.6 O=C(O)CSC(F)F MCULE-6609650116 [0,2,0,0,0,0|1,0,0]=3 4419 B7R0.6 O=C([O-])CCC(=O)O MCULE-9149947862 [0,2,0,0,0,0|1,0,0]=3 4420 B7R0.6 O=C([O-])CCC(=O)[O-] MCULE-6304944077 [0,2,0,0,0,0|1,0,1]=4 4421 B7R0.6 O=C([O-])CSC(F)F MCULE-1738110888 [0,2,0,0,0,0|1,0,1]=4 4422 B7R0.8 CC(C)(O)CCCN MCULE-1661840780 [0,2,0,0,0,0|1,0,1]=4 4423 B7R0.8 CC(C)(O)CCNN MCULE-1931103100 [0,2,0,0,0,0|1,0,1]=4 4424 B7R0.8 CC(C)(O)CCNN MCULE-8954589001 [0,2,0,0,0,0|1,0,1]=4 4425 B7R0.8 CCCCP(=O)(O)O MCULE-8779445551 [0,2,0,0,0,0|2,0,0]=4 4426 B7R0.8 CCCCS(=O)(=O)O MCULE-8566681643 [0,2,0,0,0,0|2,0,0]=4 4427 B7R0.8 CCCOP(=O)(C)O MCULE-3556230581 [0,2,0,0,0,0|2,0,0]=4 4428 B7R0.8 CNCCC(C)(C)O MCULE-6866727490 [0,2,0,0,0,0|1,0,1]=4 4429 B7R0.8 CNCCS(=O)(=O)C MCULE-5880210307 [0,2,0,0,0,0|1,0,1]=4 4430 B7R0.8 CNCCS(=O)(=O)C MCULE-6808272578 [0,2,0,0,0,0|1,0,1]=4 4431 B7R0.8 CNCCS(=O)(=O)N MCULE-3229645038 [0,2,0,0,0,0|1,0,1]=4 4432 B7R0.8 CNCCS(=O)(=O)N MCULE-9514415875 [0,2,0,0,0,0|1,0,1]=4 4433 B7R0.8 CNCCS(=O)(=O)O MCULE-4217252594 [0,2,0,0,0,0|1,0,0]=3 4434 B7R0.8 CNCCS(=O)(=O)[O-] MCULE-5274968007 [0,2,0,0,0,0|1,0,1]=4 4435 B7R0.8 CP(=O)(O)CCCN MCULE-1158131505 [0,2,0,0,0,0|1,0,0]=3 4436 B7R0.8 CP(=O)(O)CCCN MCULE-8748054523 [0,2,0,0,0,0|1,0,0]=3 4437 B7R0.8 CS(=O)(=NCCN)C MCULE-3558710314 [0,2,0,0,0,0|2,0,0]=4 4438 B7R0.8 CS(=O)(=NCCN)C MCULE-4394646642 [0,2,0,0,0,0|2,0,0]=4 4439 B7R0.8 CS(=O)(=NCCN)C MCULE-4787241983 [0,2,0,0,0,0|2,0,0]=4 4440 B7R0.8 CS(=O)(=O)CCCN MCULE-2348963019 [0,2,0,0,0,0|1,0,1]=4 4441 B7R0.8 CS(=O)(=O)CCCN MCULE-8313734317 [0,2,0,0,0,0|1,0,1]=4 4442 B7R0.8 CS(=O)(=O)CCNN MCULE-4785942183 [0,2,0,0,0,0|1,0,1]=4 4443 B7R0.8 CS(=O)(=O)CCNN MCULE-5010570563 [0,2,0,0,0,0|1,0,1]=4 4444 B7R0.8 CS(=O)(=O)NCCN MCULE-4856835139 [0,2,0,0,0,0|1,0,1]=4 4445 B7R0.8 CS(=O)(=O)NCCN MCULE-5265059473 [0,2,0,0,0,0|1,0,1]=4 4446 B7R0.8 CS(=O)(=O)SCCN MCULE-5969057578 [0,2,0,0,0,0|1,0,1]=4 4447 B7R0.8 CS(=O)(=O)SCCN MCULE-7003127591 [0,2,0,0,0,0|1,0,1]=4 4448 B7R0.8 CS(=O)(=S)OCCN MCULE-7727893446 [0,2,0,0,0,0|1,1,0]=4 4449 B7R0.8 CS(=O)(=S)OCCN MCULE-8197856093 [0,2,0,0,0,0|1,1,0]=4 4450 B7R0.8 NCCCP(=O)(O)O MCULE-7175026527 [0,2,0,0,0,0|1,0,0]=3 4451 B7R0.8 NCCCS(=O)(=O)F MCULE-6138333013 [0,2,0,0,0,0|1,0,1]=4 4452 B7R0.8 NCCCS(=O)(=O)F MCULE-9025705422 [0,2,0,0,0,0|1,0,1]=4 4453 B7R0.8 NCCCS(=O)(=O)N MCULE-6072096680 [0,2,0,0,0,0|1,0,1]=4 4454 B7R0.8 NCCCS(=O)(=O)N MCULE-8587840230 [0,2,0,0,0,0|1,0,1]=4 4455 B7R0.8 NCCCS(=O)(=O)O MCULE-6933013590 [0,2,0,0,0,0|1,0,0]=3 4456 B7R0.8 NCCCS(=O)(=O)[O-] MCULE-5180999844 [0,2,0,0,0,0|1,0,1]=4 4457 B7R0.8 NCCC[Si](O)(O)O MCULE-9706812989 [0,2,0,0,0,0|0,1,1]=4 4458 B7R0.8 NCCNS(=O)(=O)N MCULE-1026332601 [0,2,0,0,0,0|1,0,1]=4 4459 B7R0.8 NCCNS(=O)(=O)N MCULE-3107166094 [0,2,0,0,0,0|1,0,1]=4 4460 B7R0.8 NCCOP(=O)(O)O MCULE-8775715246 [0,2,0,0,0,0|1,0,0]=3 4461 B7R0.8 NCCOP(=O)([O-])[O-] MCULE-7319714248 [0,2,0,0,0,0|1,0,1]=4 4462 B7R0.8 NCCOS(=O)(=O)O MCULE-1813036738 [0,2,0,0,0,0|1,0,0]=3 4463 B7R0.8 NCCSS(=O)(=O)O MCULE-7796847391 [0,2,0,0,0,0|1,0,0]=3 4464 B7R0.8 NCCSS(=O)(=O)[O-] MCULE-8095996636 [0,2,0,0,0,0|1,0,1]=4 4465 B7R0.8 NNCCS(=O)(=O)N MCULE-6250252721 [0,2,0,0,0,0|1,0,1]=4 4466 B7R0.8 O=P(O)(O)CCCBr MCULE-8428985634 [0,2,0,0,0,0|2,0,0]=4 4467 B7R0.8 O=P(O)(O)CCCCl MCULE-9259107636 [0,2,0,0,0,0|2,0,0]=4 4468 B7R0.8 O=S(=O)(O)CCCBr MCULE-8256529568 [0,2,0,0,0,0|2,0,0]=4 4469 B7R0.8 O=S(=O)(O)CCCO MCULE-2005221071 [0,2,0,0,0,0|2,0,0]=4 4470 B7R0.8 O=S(=O)(O)CCCS MCULE-4609690087 [0,2,0,0,0,0|2,0,0]=4 4471 B7R0.8 O=S(=O)(O)OCCCl MCULE-4767434420 [0,2,0,0,0,0|2,0,0]=4 4472 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,1,0,0|2,0,0]=4 4473 B5R1.2 C=C1CCC1 MCULE-8318650413 [1,0,0,1,0,0|2,0,0]=4 4474 B5R1.2 C=C1CNC1 MCULE-1391021267 [1,0,0,1,0,0|2,0,0]=4 4475 B5R1.2 C=C1CNC1 MCULE-7957953185 [1,0,0,1,0,0|2,0,0]=4 4476 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,1,0,0|1,0,0]=3 4477 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,1,0,0|1,0,0]=3 4478 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|0,0,0]=2 4479 B5R1.2 O=C1CNC1 MCULE-5171659870 [1,0,0,1,0,0|1,0,0]=3 4480 B5R1.2 O=C1CNC1 MCULE-8293494956 [1,0,0,1,0,0|1,0,0]=3 4481 B5R1.2 O=C1COC1 MCULE-6847248632 [1,0,0,1,0,0|2,0,0]=4 4482 B5R1.2 O=C1CSC1 MCULE-4436071261 [1,0,0,1,0,0|2,0,0]=4 4483 B5R1.2 OC1CCC1 MCULE-2856311430 [1,0,0,1,0,0|1,0,1]=4 4484 B5R1.2 OC1CNC1 MCULE-3596383447 [1,0,0,1,0,0|1,0,1]=4 4485 B5R1.2 OC1CNC1 MCULE-7913518128 [1,0,0,1,0,0|1,0,1]=4 4486 B5R1.3 CCC1CO1 MCULE-4316722229 [1,0,0,1,0,0|1,0,1]=4 4487 B5R1.3 CCC1CO1 MCULE-8341828978 [1,0,0,1,0,0|1,0,1]=4 4488 B5R1.3 CC[C@@H]1CO1 MCULE-4349820919 [1,0,0,1,0,0|1,0,1]=4 4489 B5R1.3 CC[C@@H]1CO1 MCULE-5929218989 [1,0,0,1,0,0|1,0,1]=4 4490 B5R1.3 CC[C@H]1CO1 MCULE-3647278168 [1,0,0,1,0,0|1,0,1]=4 4491 B5R1.3 CC[C@H]1CO1 MCULE-4369524443 [1,0,0,1,0,0|1,0,1]=4 4492 B5R1.4 CC1CC1O MCULE-2006758475 [1,0,0,1,0,0|1,0,1]=4 4493 B5R1.4 CC1OC1C MCULE-9780363671 [1,0,0,1,0,0|1,0,1]=4 4494 B5R1.4 C[C@@H]1O[C@@H]1C MCULE-4355544092 [1,0,0,1,0,0|1,0,1]=4 4495 B5R1.4 C[C@@H]1O[C@H]1C MCULE-1930253682 [1,0,0,1,0,0|1,0,1]=4 4496 B5R1.4 C[C@H]1O[C@@H]1C MCULE-4354089942 [1,0,0,1,0,0|1,0,1]=4 4497 B5R1.4 C[C@H]1O[C@@H]1C MCULE-7982793342 [1,0,0,1,0,0|1,0,1]=4 4498 B5R1.4 NC1CC1O MCULE-2677451452 [1,0,0,1,0,0|1,0,1]=4 4499 B5R1.4 NC1CC1O MCULE-2909581707 [1,0,0,1,0,0|1,0,1]=4 4500 B5R1.4 N[C@@H]1C[C@@H]1O MCULE-1950197706 [1,0,0,1,0,0|1,0,1]=4 4501 B5R1.4 N[C@@H]1C[C@H]1O MCULE-5188790849 [1,0,0,1,0,0|1,0,1]=4 4502 B5R1.4 N[C@@H]1C[C@H]1O MCULE-8531829585 [1,0,0,1,0,0|1,0,1]=4 4503 B5R1.4 N[C@H]1C[C@@H]1O MCULE-4699241997 [1,0,0,1,0,0|1,0,1]=4 4504 B5R1.4 N[C@H]1C[C@H]1O MCULE-3609246488 [1,0,0,1,0,0|1,0,1]=4 4505 B5R1.4 N[C@H]1C[C@H]1O MCULE-3860963329 [1,0,0,1,0,0|1,0,1]=4 4506 B5R1.5 CC1(CC1)O MCULE-8472680145 [1,0,0,1,0,0|1,0,1]=4 4507 B5R1.5 NC1(CC1)O MCULE-6134507215 [1,0,0,1,0,0|1,0,1]=4 4508 B5R1.5 NC1(CC1)O MCULE-9233065159 [1,0,0,1,0,0|1,0,1]=4 4509 B5R1.5 O=S1(=O)CC1 MCULE-3660879908 [1,0,0,1,0,0|1,0,1]=4 4510 B5R1.1 B1CCOO1 MCULE-4859234466 [1,0,0,1,0,0|2,0,0]=4 4511 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,1,0,0|2,0,0]=4 4512 B5R1.1 C1=CCNC1 MCULE-4645888757 [1,0,0,1,0,0|1,0,1]=4 4513 B5R1.1 C1=CCNC1 MCULE-7386427096 [1,0,0,1,0,0|1,0,1]=4 4514 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,1,0,0|1,0,1]=4 4515 B5R1.1 C1=NCCN1 MCULE-6281004177 [1,0,0,1,0,0|2,0,0]=4 4516 B5R1.1 C1=NNCC1 MCULE-2270087414 [1,0,0,1,0,0|1,0,0]=3 4517 B5R1.1 C1CCNC1 MCULE-2816679267 [1,0,0,1,0,0|1,0,1]=4 4518 B5R1.1 C1CCNC1 MCULE-8439725600 [1,0,0,1,0,0|1,0,1]=4 4519 B5R1.1 C1CCNC1 MCULE-8653165010 [1,0,0,1,0,0|1,0,1]=4 4520 B5R1.1 C1CCNC1 MCULE-9053007443 [1,0,0,1,0,0|1,0,1]=4 4521 B5R1.1 C1CCOC1 MCULE-3873245085 [1,0,0,1,0,0|1,0,1]=4 4522 B5R1.1 C1CNCN1 MCULE-6666768806 [1,0,0,1,0,0|2,0,0]=4 4523 B5R1.1 C1CNNC1 MCULE-9192384720 [1,0,0,1,0,0|1,0,1]=4 4524 B5R1.1 C1CNNC1 MCULE-9418244562 [1,0,0,1,0,0|1,0,1]=4 4525 B5R1.1 C1CNOC1 MCULE-3922840312 [1,0,0,1,0,0|0,0,1]=3 4526 B5R1.1 C1CNOC1 MCULE-6084499894 [1,0,0,1,0,0|0,0,1]=3 4527 B5R1.1 C1COCN1 MCULE-4693733872 [1,0,0,1,0,0|2,0,0]=4 4528 B5R1.1 C1CSCN1 MCULE-1445529876 [1,0,0,1,0,0|2,0,0]=4 4529 B5R1.1 C1CSCN1 MCULE-8646299838 [1,0,0,1,0,0|2,0,0]=4 4530 B7R1.1 C1(CCNC1)CO MCULE-7897000858 [0,1,0,1,0,0|1,0,1]=4 4531 B7R1.1 C1(CCNC1)CO MCULE-9939548436 [0,1,0,1,0,0|1,0,1]=4 4532 B7R1.1 C1(CCNC1)OC MCULE-4107032989 [0,1,0,1,0,0|1,0,1]=4 4533 B7R1.1 C1(CCNC1)OC MCULE-7879953493 [0,1,0,1,0,0|1,0,1]=4 4534 B7R1.1 CC=C1CCNC1 MCULE-9077980338 [0,1,0,1,0,0|2,0,0]=4 4535 B7R1.1 CC=C1CCNC1 MCULE-9519724391 [0,1,0,1,0,0|2,0,0]=4 4536 B7R1.1 COC1=CCCC1 MCULE-6260649761 [0,1,0,1,0,0|2,0,0]=4 4537 B7R1.1 COC1=NCCC1 MCULE-2625712954 [0,1,0,1,0,0|2,0,0]=4 4538 B7R1.1 COC1CCNC1 MCULE-1194889067 [0,1,0,1,0,0|1,0,1]=4 4539 B7R1.1 COC1CCNC1 MCULE-2551543855 [0,1,0,1,0,0|1,0,1]=4 4540 B7R1.1 CO[C@@H]1CCNC1 MCULE-1457133388 [0,1,0,1,0,0|1,0,1]=4 4541 B7R1.1 CO[C@@H]1CCNC1 MCULE-5592053485 [0,1,0,1,0,0|1,0,1]=4 4542 B7R1.1 CO[C@@H]1CCNC1 MCULE-9586958523 [0,1,0,1,0,0|1,0,1]=4 4543 B7R1.1 CO[C@@H]1CCNC1 MCULE-9627985971 [0,1,0,1,0,0|1,0,1]=4 4544 B7R1.1 CO[C@H]1CCNC1 MCULE-4011037765 [0,1,0,1,0,0|1,0,1]=4 4545 B7R1.1 CO[C@H]1CCNC1 MCULE-6371005292 [0,1,0,1,0,0|1,0,1]=4 4546 B7R1.1 CO[C@H]1CCNC1 MCULE-6820243921 [0,1,0,1,0,0|1,0,1]=4 4547 B7R1.1 CO[C@H]1CCNC1 MCULE-9345557765 [0,1,0,1,0,0|1,0,1]=4 4548 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [0,1,0,1,0,0|2,0,0]=4 4549 B7R1.1 O=CC1=CCCC1 MCULE-2270030217 [0,1,0,1,0,0|2,0,0]=4 4550 B7R1.1 O=CC1=CCCO1 MCULE-3464963164 [0,1,0,1,0,0|1,0,1]=4 4551 B7R1.1 O=CC1CCCO1 MCULE-4587605451 [0,1,0,1,0,0|1,0,1]=4 4552 B7R1.1 O=CC1CCNC1 MCULE-5188223111 [0,1,0,1,0,0|1,0,1]=4 4553 B7R1.1 OCC1=CCCC1 MCULE-8850570361 [0,1,0,1,0,0|2,0,0]=4 4554 B7R1.1 OCC1CCNC1 MCULE-7883947611 [0,1,0,1,0,0|1,0,1]=4 4555 B7R1.1 OCC1CCNC1 MCULE-9689521155 [0,1,0,1,0,0|1,0,1]=4 4556 B7R1.1 OC[C@@H]1CCNC1 MCULE-3126404140 [0,1,0,1,0,0|1,0,1]=4 4557 B7R1.1 OC[C@@H]1CCNC1 MCULE-4876549629 [0,1,0,1,0,0|1,0,1]=4 4558 B7R1.1 OC[C@@H]1CCNC1 MCULE-7050415145 [0,1,0,1,0,0|1,0,1]=4 4559 B7R1.1 OC[C@@H]1CCNC1 MCULE-8785146407 [0,1,0,1,0,0|1,0,1]=4 4560 B7R1.1 OC[C@H]1CCNC1 MCULE-3909770597 [0,1,0,1,0,0|1,0,1]=4 4561 B7R1.1 OC[C@H]1CCNC1 MCULE-5006682123 [0,1,0,1,0,0|1,0,1]=4 4562 B7R1.1 OC[C@H]1CCNC1 MCULE-8265382423 [0,1,0,1,0,0|1,0,1]=4 4563 B7R1.1 OC[C@H]1CCNC1 MCULE-8371969680 [0,1,0,1,0,0|1,0,1]=4 4564 B7R1.1 ON=C1CCCC1 MCULE-9338449832 [0,1,0,1,0,0|2,0,0]=4 4565 B7R1.2 C1(CCN(C1)C)O MCULE-5142099784 [0,1,0,1,0,0|1,0,1]=4 4566 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,1,0,1,0,0|1,0,0]=3 4567 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,1,0,1,0,0|1,0,0]=3 4568 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,1,0,1,0,0|2,0,0]=4 4569 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,1,0,1,0,0|2,0,0]=4 4570 B7R1.2 C=C1CCC(=O)O1 MCULE-2485348963 [0,1,0,1,0,0|1,0,0]=3 4571 B7R1.2 CC1=CC(=O)CC1 MCULE-5496838191 [0,1,0,1,0,0|2,0,0]=4 4572 B7R1.2 CC1=CCC(=O)O1 MCULE-5954539189 [0,1,0,1,0,0|1,0,1]=4 4573 B7R1.2 CC1=CCC(=O)O1 MCULE-7236091694 [0,1,0,1,0,0|1,0,1]=4 4574 B7R1.2 CC1=NOC(=O)C1 MCULE-2665741338 [0,1,0,1,0,0|0,0,2]=4 4575 B7R1.2 CC1=NOC(=O)C1 MCULE-3084424307 [0,1,0,1,0,0|0,0,2]=4 4576 B7R1.2 CC1C=CC(=O)O1 MCULE-7172637771 [0,1,0,1,0,0|1,0,1]=4 4577 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [0,1,0,1,0,0|2,0,0]=4 4578 B7R1.2 CC1CC(=O)CO1 MCULE-7022597277 [0,1,0,1,0,0|1,0,0]=3 4579 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,1,0,1,0,0|1,1,0]=4 4580 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,1,0,1,0,0|1,0,0]=3 4581 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,1,0,1,0,0|1,0,0]=3 4582 B7R1.2 CC1CC(CN1)O MCULE-5630063862 [0,1,0,1,0,0|1,0,1]=4 4583 B7R1.2 CC1CC(CN1)O MCULE-7427731937 [0,1,0,1,0,0|1,0,1]=4 4584 B7R1.2 CC1CC(CO1)N MCULE-5031195609 [0,1,0,1,0,0|1,0,1]=4 4585 B7R1.2 CC1CC(CO1)N MCULE-6627149239 [0,1,0,1,0,0|1,0,1]=4 4586 B7R1.2 CC1CCC(=O)C1 MCULE-6716533429 [0,1,0,1,0,0|2,0,0]=4 4587 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,1,0,1,0,0|2,0,0]=4 4588 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,1,0,1,0,0|2,0,0]=4 4589 B7R1.2 CC1CCC(=O)O1 MCULE-3014789527 [0,1,0,1,0,0|1,0,0]=3 4590 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [0,1,0,1,0,0|2,0,0]=4 4591 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [0,1,0,1,0,0|2,0,0]=4 4592 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,1,0,1,0,0|2,0,0]=4 4593 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,1,0,1,0,0|2,0,0]=4 4594 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,1,0,0|1,0,0]=3 4595 B7R1.2 CC1COC(=O)C1 MCULE-7226555218 [0,1,0,1,0,0|1,0,0]=3 4596 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,1,0,1,0,0|2,0,0]=4 4597 B7R1.2 CC1COC(=O)O1 MCULE-9055336051 [0,1,0,1,0,0|1,0,0]=3 4598 B7R1.2 CC1COS(=O)O1 MCULE-7795249539 [0,1,0,1,0,0|2,0,0]=4 4599 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,1,0,1,0,0|1,1,0]=4 4600 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,1,0,1,0,0|2,0,0]=4 4601 B7R1.2 CN1CCC(=O)C1 MCULE-4017029823 [0,1,0,1,0,0|1,0,0]=3 4602 B7R1.2 CN1CCC(=O)C1 MCULE-8684002131 [0,1,0,1,0,0|1,0,0]=3 4603 B7R1.2 CN1CCC(C1)O MCULE-7899934177 [0,1,0,1,0,0|1,0,1]=4 4604 B7R1.2 CN1CC[C@@H](C1)O MCULE-1236945758 [0,1,0,1,0,0|1,0,1]=4 4605 B7R1.2 CN1CC[C@@H](C1)O MCULE-4275527304 [0,1,0,1,0,0|1,0,1]=4 4606 B7R1.2 CN1CC[C@H](C1)O MCULE-6665002754 [0,1,0,1,0,0|1,0,1]=4 4607 B7R1.2 CN1CC[C@H](C1)O MCULE-8080661086 [0,1,0,1,0,0|1,0,1]=4 4608 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,1,0,1,0,0|1,0,0]=3 4609 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,1,0,1,0,0|1,0,0]=3 4610 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,1,0,1,0,0|2,0,0]=4 4611 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,1,0,1,0,0|2,0,0]=4 4612 B7R1.2 C[C@@H]1CCC(=O)O1 MCULE-5934008113 [0,1,0,1,0,0|1,0,0]=3 4613 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,1,0,1,0,0|2,0,0]=4 4614 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,1,0,1,0,0|2,0,0]=4 4615 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,1,0,0|1,0,0]=3 4616 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,1,0,0|1,0,0]=3 4617 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1121808555 [0,1,0,1,0,0|1,0,0]=3 4618 B7R1.2 C[C@@H]1COC(=O)C1 MCULE-1627827491 [0,1,0,1,0,0|1,0,0]=3 4619 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,1,0,1,0,0|2,0,0]=4 4620 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,1,0,1,0,0|2,0,0]=4 4621 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-3187800510 [0,1,0,1,0,0|1,0,0]=3 4622 B7R1.2 C[C@@H]1COC(=O)O1 MCULE-6719271655 [0,1,0,1,0,0|1,0,0]=3 4623 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-1211015225 [0,1,0,1,0,0|1,0,1]=4 4624 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8025231795 [0,1,0,1,0,0|1,0,1]=4 4625 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8074184383 [0,1,0,1,0,0|1,0,1]=4 4626 B7R1.2 C[C@@H]1C[C@@H](CN1)O MCULE-8403784233 [0,1,0,1,0,0|1,0,1]=4 4627 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-4359200896 [0,1,0,1,0,0|1,0,1]=4 4628 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-5029850022 [0,1,0,1,0,0|1,0,1]=4 4629 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8880723450 [0,1,0,1,0,0|1,0,1]=4 4630 B7R1.2 C[C@@H]1C[C@H](CN1)O MCULE-8966000465 [0,1,0,1,0,0|1,0,1]=4 4631 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,1,0,1,0,0|1,0,0]=3 4632 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,1,0,1,0,0|1,0,0]=3 4633 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,1,0,1,0,0|1,0,0]=3 4634 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,1,0,1,0,0|1,0,0]=3 4635 B7R1.2 C[C@H]1CCC(=O)C1 MCULE-7319626625 [0,1,0,1,0,0|2,0,0]=4 4636 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,1,0,1,0,0|2,0,0]=4 4637 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,1,0,1,0,0|2,0,0]=4 4638 B7R1.2 C[C@H]1CCC(=O)O1 MCULE-5274272771 [0,1,0,1,0,0|1,0,0]=3 4639 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,1,0,1,0,0|2,0,0]=4 4640 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,1,0,1,0,0|2,0,0]=4 4641 B7R1.2 C[C@H]1COC(=O)C1 MCULE-6050720348 [0,1,0,1,0,0|1,0,0]=3 4642 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,1,0,1,0,0|2,0,0]=4 4643 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,1,0,1,0,0|2,0,0]=4 4644 B7R1.2 C[C@H]1COC(=O)O1 MCULE-2416711374 [0,1,0,1,0,0|1,0,0]=3 4645 B7R1.2 C[C@H]1COC(=O)O1 MCULE-4223856214 [0,1,0,1,0,0|1,0,0]=3 4646 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-1346257695 [0,1,0,1,0,0|1,0,1]=4 4647 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-3035291598 [0,1,0,1,0,0|1,0,1]=4 4648 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-8611352921 [0,1,0,1,0,0|1,0,1]=4 4649 B7R1.2 C[C@H]1C[C@@H](CN1)O MCULE-9413190353 [0,1,0,1,0,0|1,0,1]=4 4650 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-3188785695 [0,1,0,1,0,0|1,0,1]=4 4651 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-4518572489 [0,1,0,1,0,0|1,0,1]=4 4652 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-5322353871 [0,1,0,1,0,0|1,0,1]=4 4653 B7R1.2 C[C@H]1C[C@H](CN1)O MCULE-9693826142 [0,1,0,1,0,0|1,0,1]=4 4654 B7R1.2 NC1=CC(=O)CC1 MCULE-9465243079 [0,1,0,1,0,0|1,0,0]=3 4655 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,1,0,1,0,0|1,0,1]=4 4656 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,1,0,1,0,0|1,0,1]=4 4657 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,1,0,1,0,0|1,0,1]=4 4658 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,1,0,1,0,0|1,0,1]=4 4659 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,1,0,1,0,0|1,0,1]=4 4660 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,1,0,1,0,0|1,0,1]=4 4661 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,1,0,1,0,0|0,1,1]=4 4662 B7R1.2 NC1=NNC(=O)C1 MCULE-1000997494 [0,1,0,1,0,0|1,0,1]=4 4663 B7R1.2 NC1C=CC(C1)O MCULE-1250487700 [0,1,0,1,0,0|1,0,1]=4 4664 B7R1.2 NC1CCC(=O)C1 MCULE-5102535286 [0,1,0,1,0,0|1,0,0]=3 4665 B7R1.2 NC1CCC(=O)C1 MCULE-7722818264 [0,1,0,1,0,0|1,0,0]=3 4666 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,1,0,1,0,0|1,0,0]=3 4667 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,1,0,1,0,0|1,0,0]=3 4668 B7R1.2 NC1CCC(C1)O MCULE-5821071286 [0,1,0,1,0,0|1,0,1]=4 4669 B7R1.2 NC1CCC(C1)O MCULE-9391783901 [0,1,0,1,0,0|1,0,1]=4 4670 B7R1.2 NC1CCS(=O)C1 MCULE-7416029311 [0,1,0,1,0,0|2,0,0]=4 4671 B7R1.2 NC1CCS(=O)C1 MCULE-8914660363 [0,1,0,1,0,0|2,0,0]=4 4672 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,1,0,1,0,0|1,0,0]=3 4673 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,1,0,1,0,0|1,0,0]=3 4674 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,1,0,1,0,0|1,0,0]=3 4675 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,1,0,1,0,0|1,0,0]=3 4676 B7R1.2 NC1COC(=O)C1 MCULE-1027386953 [0,1,0,1,0,0|0,0,0]=2 4677 B7R1.2 NC1COC(=O)C1 MCULE-1493825051 [0,1,0,1,0,0|0,0,0]=2 4678 B7R1.2 NC1COC(=O)C1 MCULE-3118610284 [0,1,0,1,0,0|0,0,0]=2 4679 B7R1.2 NC1COC(=O)C1 MCULE-8194840985 [0,1,0,1,0,0|0,0,0]=2 4680 B7R1.2 NC1N=CC(=O)S1 MCULE-9874802810 [0,1,0,1,0,0|0,1,1]=4 4681 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,1,0,1,0,0|1,0,0]=3 4682 B7R1.2 N[C@@H]1C=C[C@@H](C1)O MCULE-3439280280 [0,1,0,1,0,0|1,0,1]=4 4683 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-2973461190 [0,1,0,1,0,0|1,0,1]=4 4684 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-5462229704 [0,1,0,1,0,0|1,0,1]=4 4685 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-6746606174 [0,1,0,1,0,0|1,0,1]=4 4686 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7196403409 [0,1,0,1,0,0|1,0,1]=4 4687 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-7511735313 [0,1,0,1,0,0|1,0,1]=4 4688 B7R1.2 N[C@@H]1CC[C@@H](C1)O MCULE-9023897758 [0,1,0,1,0,0|1,0,1]=4 4689 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-3286276562 [0,1,0,1,0,0|1,0,1]=4 4690 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-5345953109 [0,1,0,1,0,0|1,0,1]=4 4691 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-6442703385 [0,1,0,1,0,0|1,0,1]=4 4692 B7R1.2 N[C@@H]1CC[C@H](C1)O MCULE-7457197538 [0,1,0,1,0,0|1,0,1]=4 4693 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,1,0,1,0,0|1,0,0]=3 4694 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,1,0,1,0,0|1,0,0]=3 4695 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,1,0,1,0,0|1,0,0]=3 4696 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,1,0,1,0,0|1,0,0]=3 4697 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-2437548952 [0,1,0,1,0,0|0,0,0]=2 4698 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4215135536 [0,1,0,1,0,0|0,0,0]=2 4699 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-4884145743 [0,1,0,1,0,0|0,0,0]=2 4700 B7R1.2 N[C@@H]1COC(=O)C1 MCULE-9276068415 [0,1,0,1,0,0|0,0,0]=2 4701 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-2880951702 [0,1,0,1,0,0|1,0,1]=4 4702 B7R1.2 N[C@H]1C=C[C@H](C1)O MCULE-7715311088 [0,1,0,1,0,0|1,0,1]=4 4703 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-2764158583 [0,1,0,1,0,0|1,0,1]=4 4704 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-5047569623 [0,1,0,1,0,0|1,0,1]=4 4705 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-7674066148 [0,1,0,1,0,0|1,0,1]=4 4706 B7R1.2 N[C@H]1CC[C@@H](C1)O MCULE-8478778872 [0,1,0,1,0,0|1,0,1]=4 4707 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-3786824722 [0,1,0,1,0,0|1,0,1]=4 4708 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-4140170961 [0,1,0,1,0,0|1,0,1]=4 4709 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5760466174 [0,1,0,1,0,0|1,0,1]=4 4710 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-5995468864 [0,1,0,1,0,0|1,0,1]=4 4711 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-6230469368 [0,1,0,1,0,0|1,0,1]=4 4712 B7R1.2 N[C@H]1CC[C@H](C1)O MCULE-9622062244 [0,1,0,1,0,0|1,0,1]=4 4713 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,1,0,1,0,0|1,0,0]=3 4714 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,1,0,1,0,0|1,0,0]=3 4715 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,1,0,1,0,0|1,0,0]=3 4716 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,1,0,1,0,0|1,0,0]=3 4717 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,1,0,1,0,0|1,0,0]=3 4718 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,1,0,1,0,0|1,0,0]=3 4719 B7R1.2 N[C@H]1COC(=O)C1 MCULE-2936782126 [0,1,0,1,0,0|0,0,0]=2 4720 B7R1.2 N[C@H]1COC(=O)C1 MCULE-4255876921 [0,1,0,1,0,0|0,0,0]=2 4721 B7R1.2 N[C@H]1COC(=O)C1 MCULE-5377151477 [0,1,0,1,0,0|0,0,0]=2 4722 B7R1.2 N[C@H]1COC(=O)C1 MCULE-6406960509 [0,1,0,1,0,0|0,0,0]=2 4723 B7R1.2 O=C1C=C(CC1)Br MCULE-8421005141 [0,1,0,1,0,0|2,0,0]=4 4724 B7R1.2 O=C1C=C(CC1)Cl MCULE-4481059890 [0,1,0,1,0,0|2,0,0]=4 4725 B7R1.2 O=C1C=C(CC1)I MCULE-9887353763 [0,1,0,1,0,0|2,0,0]=4 4726 B7R1.2 O=C1C=C(CC1)O MCULE-4815747510 [0,1,0,1,0,0|2,0,0]=4 4727 B7R1.2 O=C1C=CC(C1)O MCULE-6464451546 [0,1,0,1,0,0|2,0,0]=4 4728 B7R1.2 O=C1C=CC(O1)Br MCULE-3933464968 [0,1,0,1,0,0|1,0,1]=4 4729 B7R1.2 O=C1C=CC(O1)O MCULE-7170809381 [0,1,0,1,0,0|1,0,1]=4 4730 B7R1.2 O=C1C=C[C@@H](C1)O MCULE-4535052390 [0,1,0,1,0,0|2,0,0]=4 4731 B7R1.2 O=C1C=C[C@H](C1)O MCULE-9347047598 [0,1,0,1,0,0|2,0,0]=4 4732 B7R1.2 O=C1CC(=CO1)O MCULE-3691688750 [0,1,0,1,0,0|1,0,1]=4 4733 B7R1.2 O=C1CC(=O)NN1 MCULE-4591056937 [0,1,0,1,0,0|1,0,1]=4 4734 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,1,0,1,0,0|2,0,0]=4 4735 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,1,0,1,0,0|2,0,0]=4 4736 B7R1.2 O=C1CC(CO1)O MCULE-3779919332 [0,1,0,1,0,0|1,0,0]=3 4737 B7R1.2 O=C1CC(CO1)O MCULE-5609071664 [0,1,0,1,0,0|1,0,0]=3 4738 B7R1.2 O=C1CCC(=O)C1 MCULE-6436831689 [0,1,0,1,0,0|2,0,0]=4 4739 B7R1.2 O=C1CCC(=O)N1 MCULE-8278049979 [0,1,0,1,0,0|2,0,0]=4 4740 B7R1.2 O=C1CCC(=O)O1 MCULE-1458819618 [0,1,0,1,0,0|1,0,0]=3 4741 B7R1.2 O=C1CCC(C1)F MCULE-9585894610 [0,1,0,1,0,0|2,0,0]=4 4742 B7R1.2 O=C1CCC(C1)I MCULE-5558007377 [0,1,0,1,0,0|2,0,0]=4 4743 B7R1.2 O=C1CCC(C1)O MCULE-8500536547 [0,1,0,1,0,0|2,0,0]=4 4744 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,1,0,1,0,0|2,0,0]=4 4745 B7R1.2 O=C1CCC(O1)F MCULE-6874239017 [0,1,0,1,0,0|1,0,0]=3 4746 B7R1.2 O=C1CCC(O1)O MCULE-5296344468 [0,1,0,1,0,0|1,0,0]=3 4747 B7R1.2 O=C1CNC(=O)C1 MCULE-6981924013 [0,1,0,1,0,0|1,0,1]=4 4748 B7R1.2 O=C1CNC(=O)O1 MCULE-7702120642 [0,1,0,1,0,0|1,0,1]=4 4749 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,1,0,1,0,0|1,1,0]=4 4750 B7R1.2 O=C1COC(=O)C1 MCULE-3258090872 [0,1,0,1,0,0|1,0,1]=4 4751 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,1,0,1,0,0|2,0,0]=4 4752 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,1,0,1,0,0|2,0,0]=4 4753 B7R1.2 O=C1C[C@@H](CO1)O MCULE-1467506377 [0,1,0,1,0,0|1,0,0]=3 4754 B7R1.2 O=C1C[C@@H](CO1)O MCULE-3668466479 [0,1,0,1,0,0|1,0,0]=3 4755 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,1,0,1,0,0|2,0,0]=4 4756 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,1,0,1,0,0|2,0,0]=4 4757 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,1,0,1,0,0|2,0,0]=4 4758 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,1,0,1,0,0|2,0,0]=4 4759 B7R1.2 O=C1C[C@H](CO1)O MCULE-5756899897 [0,1,0,1,0,0|1,0,0]=3 4760 B7R1.2 O=C1C[C@H](CO1)O MCULE-6247095672 [0,1,0,1,0,0|1,0,0]=3 4761 B7R1.2 O=C1NOC(=O)N1 MCULE-5599103299 [0,1,0,1,0,0|1,0,1]=4 4762 B7R1.2 O=C1OCC(O1)Cl MCULE-4046020713 [0,1,0,1,0,0|1,0,0]=3 4763 B7R1.2 O=C1OCC(O1)F MCULE-7198712298 [0,1,0,1,0,0|1,0,0]=3 4764 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-3137346382 [0,1,0,1,0,0|1,0,1]=4 4765 B7R1.2 [C@@H]1(CC[C@@H](C1)O)N MCULE-9954737796 [0,1,0,1,0,0|1,0,1]=4 4766 B7R1.2 [C@H]1(CCC(=O)C1)C MCULE-3827565169 [0,1,0,1,0,0|2,0,0]=4 4767 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-1916837136 [0,1,0,1,0,0|1,0,1]=4 4768 B7R1.2 [C@H]1(CN[C@@H](C1)C)O MCULE-8263093896 [0,1,0,1,0,0|1,0,1]=4 4769 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9065610836 [0,1,0,1,0,0|1,0,1]=4 4770 B7R1.2 [C@H]1(CN[C@H](C1)C)O MCULE-9910248291 [0,1,0,1,0,0|1,0,1]=4 4771 B7R1.3 BrC1=CCCNC1 MCULE-1016336040 [0,1,0,1,0,0|2,0,0]=4 4772 B7R1.3 BrC1=CCCNC1 MCULE-9845052592 [0,1,0,1,0,0|2,0,0]=4 4773 B7R1.3 BrC1=COCCC1 MCULE-7754503978 [0,1,0,1,0,0|2,0,0]=4 4774 B7R1.3 C1(CCCNC1)O MCULE-5944071030 [0,1,0,1,0,0|1,0,1]=4 4775 B7R1.3 C1(CCCNC1)O MCULE-9769032939 [0,1,0,1,0,0|1,0,1]=4 4776 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [0,1,0,1,0,0|2,0,0]=4 4777 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [0,1,0,1,0,0|2,0,0]=4 4778 B7R1.3 C=C1CCCOC1 MCULE-5236529273 [0,1,0,1,0,0|2,0,0]=4 4779 B7R1.3 C=C1CCNCC1 MCULE-4460895436 [0,1,0,1,0,0|2,0,0]=4 4780 B7R1.3 C=C1CCNCC1 MCULE-6605411269 [0,1,0,1,0,0|2,0,0]=4 4781 B7R1.3 C=C1CCNCC1 MCULE-6729798105 [0,1,0,1,0,0|2,0,0]=4 4782 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [0,1,0,1,0,0|2,0,0]=4 4783 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [0,1,0,1,0,0|2,0,0]=4 4784 B7R1.3 CC1=CCNCC1 MCULE-1503915992 [0,1,0,1,0,0|2,0,0]=4 4785 B7R1.3 CC1=CCNCC1 MCULE-3349815065 [0,1,0,1,0,0|2,0,0]=4 4786 B7R1.3 CC1=NCCNC1 MCULE-2066788449 [0,1,0,1,0,0|2,0,0]=4 4787 B7R1.3 ClC1=CCCNC1 MCULE-2132976242 [0,1,0,1,0,0|2,0,0]=4 4788 B7R1.3 ClC1=CCCNC1 MCULE-9013141821 [0,1,0,1,0,0|2,0,0]=4 4789 B7R1.3 FC1=CCCNC1 MCULE-5131057553 [0,1,0,1,0,0|2,0,0]=4 4790 B7R1.3 FC1=CCCNC1 MCULE-8459145085 [0,1,0,1,0,0|2,0,0]=4 4791 B7R1.3 FC1=CCNCC1 MCULE-5573410633 [0,1,0,1,0,0|2,0,0]=4 4792 B7R1.3 FC1=CCNCC1 MCULE-9755070929 [0,1,0,1,0,0|2,0,0]=4 4793 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [0,1,0,1,0,0|2,0,0]=4 4794 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [0,1,0,1,0,0|2,0,0]=4 4795 B7R1.3 O=C1C=CCCC1 MCULE-5207755083 [0,1,0,1,0,0|2,0,0]=4 4796 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,1,0,1,0,0|2,0,0]=4 4797 B7R1.3 O=C1C=CCCO1 MCULE-2962791770 [0,1,0,1,0,0|1,0,1]=4 4798 B7R1.3 O=C1C=CCOC1 MCULE-4817981961 [0,1,0,1,0,0|2,0,0]=4 4799 B7R1.3 O=C1C=COCC1 MCULE-2954829305 [0,1,0,1,0,0|2,0,0]=4 4800 B7R1.3 O=C1CC=COC1 MCULE-3434064170 [0,1,0,1,0,0|1,0,1]=4 4801 B7R1.3 O=C1CCCCC1 MCULE-5664385838 [0,1,0,1,0,0|2,0,0]=4 4802 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,1,0,1,0,0|2,0,0]=4 4803 B7R1.3 O=C1CCCCO1 MCULE-4682307363 [0,1,0,1,0,0|1,0,0]=3 4804 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [0,1,0,1,0,0|1,1,0]=4 4805 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,1,0,1,0,0|1,0,0]=3 4806 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,1,0,1,0,0|1,0,0]=3 4807 B7R1.3 O=C1CCCOC1 MCULE-5268404224 [0,1,0,1,0,0|1,0,0]=3 4808 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [0,1,0,1,0,0|1,1,0]=4 4809 B7R1.3 O=C1CCNCC1 MCULE-7526186270 [0,1,0,1,0,0|1,0,0]=3 4810 B7R1.3 O=C1CCNCC1 MCULE-9761063200 [0,1,0,1,0,0|1,0,0]=3 4811 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [0,1,0,1,0,0|1,0,0]=3 4812 B7R1.3 O=C1CCOCC1 MCULE-6728095514 [0,1,0,1,0,0|2,0,0]=4 4813 B7R1.3 O=C1CCSCC1 MCULE-8638366518 [0,1,0,1,0,0|2,0,0]=4 4814 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,1,0,1,0,0|1,0,0]=3 4815 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,1,0,1,0,0|1,0,0]=3 4816 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,1,0,1,0,0|1,0,0]=3 4817 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,1,0,1,0,0|2,0,0]=4 4818 B7R1.3 O=C1COCCO1 MCULE-5754504096 [0,1,0,1,0,0|1,0,0]=3 4819 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [0,1,0,1,0,0|2,0,0]=4 4820 B7R1.3 O=C1CSCSC1 MCULE-8034252746 [0,1,0,1,0,0|2,0,0]=4 4821 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [0,1,0,1,0,0|2,0,0]=4 4822 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,1,0,1,0,0|1,0,0]=3 4823 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,1,0,1,0,0|1,0,0]=3 4824 B7R1.3 O=C1OCCCO1 MCULE-7728322911 [0,1,0,1,0,0|1,0,0]=3 4825 B7R1.3 O=P1OCCCO1 MCULE-9154920312 [0,1,0,1,0,0|2,0,0]=4 4826 B7R1.3 O=S1CCNCC1 MCULE-1812570930 [0,1,0,1,0,0|2,0,0]=4 4827 B7R1.3 O=S1CCNCC1 MCULE-9878649050 [0,1,0,1,0,0|2,0,0]=4 4828 B7R1.3 O=S1OCCCO1 MCULE-4755606100 [0,1,0,1,0,0|2,0,0]=4 4829 B7R1.3 OC1=CN=NCC1 MCULE-3904781537 [0,1,0,1,0,0|1,0,1]=4 4830 B7R1.3 OC1CCCNC1 MCULE-4557845355 [0,1,0,1,0,0|1,0,1]=4 4831 B7R1.3 OC1CCCNC1 MCULE-6040312691 [0,1,0,1,0,0|1,0,1]=4 4832 B7R1.3 OC1CCNCC1 MCULE-3572807775 [0,1,0,1,0,0|1,0,1]=4 4833 B7R1.3 OC1CCNCC1 MCULE-4216905638 [0,1,0,1,0,0|1,0,1]=4 4834 B7R1.3 OC1CCNCC1 MCULE-8298401309 [0,1,0,1,0,0|1,0,1]=4 4835 B7R1.3 OC1CNCCO1 MCULE-7048275202 [0,1,0,1,0,0|1,0,1]=4 4836 B7R1.3 OC1CNCCO1 MCULE-9716087824 [0,1,0,1,0,0|1,0,1]=4 4837 B7R1.3 O[C@@H]1CCCNC1 MCULE-3395625072 [0,1,0,1,0,0|1,0,1]=4 4838 B7R1.3 O[C@@H]1CCCNC1 MCULE-5041834047 [0,1,0,1,0,0|1,0,1]=4 4839 B7R1.3 O[C@@H]1CCCNC1 MCULE-5939951996 [0,1,0,1,0,0|1,0,1]=4 4840 B7R1.3 O[C@@H]1CCCNC1 MCULE-8822637089 [0,1,0,1,0,0|1,0,1]=4 4841 B7R1.3 O[C@H]1CCCNC1 MCULE-3813591488 [0,1,0,1,0,0|1,0,1]=4 4842 B7R1.3 O[C@H]1CCCNC1 MCULE-5223055424 [0,1,0,1,0,0|1,0,1]=4 4843 B7R1.3 O[C@H]1CCCNC1 MCULE-7646198322 [0,1,0,1,0,0|1,0,1]=4 4844 B7R1.3 O[C@H]1CCCNC1 MCULE-7875547684 [0,1,0,1,0,0|1,0,1]=4 4845 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [0,1,0,1,0,0|1,1,0]=4 4846 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,1,0,1,0,0|1,0,1]=4 4847 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,1,0,1,0,0|1,0,1]=4 4848 B7R1.4 C=C1CCCC1O MCULE-3026250203 [0,1,0,1,0,0|2,0,0]=4 4849 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,1,0,0|1,0,0]=3 4850 B7R1.4 C=C1CCOC1=O MCULE-5907828600 [0,1,0,1,0,0|1,0,1]=4 4851 B7R1.4 CC1=CCCC1=O MCULE-3713655264 [0,1,0,1,0,0|2,0,0]=4 4852 B7R1.4 CC1CCCC1=O MCULE-3710290162 [0,1,0,1,0,0|2,0,0]=4 4853 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,1,0,1,0,0|1,0,1]=4 4854 B7R1.4 CC1CCOC1=O MCULE-2223078294 [0,1,0,1,0,0|1,0,0]=3 4855 B7R1.4 CC1CNCC1=O MCULE-2728909327 [0,1,0,1,0,0|1,0,0]=3 4856 B7R1.4 CC1CNCC1=O MCULE-9172381840 [0,1,0,1,0,0|1,0,0]=3 4857 B7R1.4 CC1CNCC1O MCULE-3308447861 [0,1,0,1,0,0|1,0,1]=4 4858 B7R1.4 CC1CNCC1O MCULE-8526879323 [0,1,0,1,0,0|1,0,1]=4 4859 B7R1.4 CC1COCC1=O MCULE-8115238635 [0,1,0,1,0,0|2,0,0]=4 4860 B7R1.4 CC1CSCC1=O MCULE-5611423322 [0,1,0,1,0,0|2,0,0]=4 4861 B7R1.4 CC1NCCC1=O MCULE-4206844406 [0,1,0,1,0,0|1,0,0]=3 4862 B7R1.4 CC1NCCC1=O MCULE-7025918222 [0,1,0,1,0,0|1,0,0]=3 4863 B7R1.4 CC1NCCC1O MCULE-7936666458 [0,1,0,1,0,0|1,0,1]=4 4864 B7R1.4 CC1NCCC1O MCULE-8369948926 [0,1,0,1,0,0|1,0,1]=4 4865 B7R1.4 CC1OCCC1=O MCULE-8278816952 [0,1,0,1,0,0|2,0,0]=4 4866 B7R1.4 CC1SCCC1=O MCULE-5264322365 [0,1,0,1,0,0|2,0,0]=4 4867 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,1,0,1,0,0|2,0,0]=4 4868 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,1,0,1,0,0|2,0,0]=4 4869 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,1,0,0|2,0,0]=4 4870 B7R1.4 CN1CNCC1=O MCULE-2252466841 [0,1,0,1,0,0|2,0,0]=4 4871 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,1,0,1,0,0|1,0,1]=4 4872 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-2015388080 [0,1,0,1,0,0|1,0,1]=4 4873 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-3625149028 [0,1,0,1,0,0|1,0,1]=4 4874 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-5773404554 [0,1,0,1,0,0|1,0,1]=4 4875 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6014391902 [0,1,0,1,0,0|1,0,1]=4 4876 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6476104556 [0,1,0,1,0,0|1,0,1]=4 4877 B7R1.4 C[C@@H]1CNC[C@@H]1O MCULE-6537028059 [0,1,0,1,0,0|1,0,1]=4 4878 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-4207581523 [0,1,0,1,0,0|1,0,1]=4 4879 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-6158474994 [0,1,0,1,0,0|1,0,1]=4 4880 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-7380960276 [0,1,0,1,0,0|1,0,1]=4 4881 B7R1.4 C[C@@H]1CNC[C@H]1O MCULE-7589629864 [0,1,0,1,0,0|1,0,1]=4 4882 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-1705265213 [0,1,0,1,0,0|1,0,1]=4 4883 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-3395898129 [0,1,0,1,0,0|1,0,1]=4 4884 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-5909894286 [0,1,0,1,0,0|1,0,1]=4 4885 B7R1.4 C[C@@H]1NCC[C@@H]1O MCULE-9998480727 [0,1,0,1,0,0|1,0,1]=4 4886 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-1101330824 [0,1,0,1,0,0|1,0,1]=4 4887 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3326131093 [0,1,0,1,0,0|1,0,1]=4 4888 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-3941456644 [0,1,0,1,0,0|1,0,1]=4 4889 B7R1.4 C[C@@H]1NCC[C@H]1O MCULE-8944150043 [0,1,0,1,0,0|1,0,1]=4 4890 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,1,0,1,0,0|1,0,1]=4 4891 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-2282810666 [0,1,0,1,0,0|1,0,1]=4 4892 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-2772361871 [0,1,0,1,0,0|1,0,1]=4 4893 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-3274154422 [0,1,0,1,0,0|1,0,1]=4 4894 B7R1.4 C[C@H]1CNC[C@@H]1O MCULE-3608199633 [0,1,0,1,0,0|1,0,1]=4 4895 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-1988679936 [0,1,0,1,0,0|1,0,1]=4 4896 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-3451477960 [0,1,0,1,0,0|1,0,1]=4 4897 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-4396463600 [0,1,0,1,0,0|1,0,1]=4 4898 B7R1.4 C[C@H]1CNC[C@H]1O MCULE-7975653844 [0,1,0,1,0,0|1,0,1]=4 4899 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-5499798144 [0,1,0,1,0,0|1,0,1]=4 4900 B7R1.4 C[C@H]1NCC[C@@H]1O MCULE-7401004387 [0,1,0,1,0,0|1,0,1]=4 4901 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-7469942077 [0,1,0,1,0,0|1,0,1]=4 4902 B7R1.4 C[C@H]1NCC[C@H]1O MCULE-9976903585 [0,1,0,1,0,0|1,0,1]=4 4903 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,1,0,1,0,0|2,0,0]=4 4904 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,1,0,1,0,0|2,0,0]=4 4905 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,1,0,1,0,0|1,0,1]=4 4906 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,1,0,1,0,0|1,0,1]=4 4907 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,1,0,0|1,0,0]=3 4908 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,1,0,0|1,0,0]=3 4909 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,1,0,0|1,0,0]=3 4910 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,1,0,0|1,0,0]=3 4911 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,1,0,0|1,0,0]=3 4912 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,1,0,0|1,0,0]=3 4913 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,1,0,1,0,0|1,1,0]=4 4914 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,1,0,1,0,0|1,1,0]=4 4915 B7R1.4 NC1CONC1=O MCULE-3118867985 [0,1,0,1,0,0|2,0,0]=4 4916 B7R1.4 NC1CONC1=O MCULE-3159218372 [0,1,0,1,0,0|2,0,0]=4 4917 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,1,0,1,0,0|2,0,0]=4 4918 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,1,0,1,0,0|2,0,0]=4 4919 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,1,0,1,0,0|2,0,0]=4 4920 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,1,0,0|2,0,0]=4 4921 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,1,0,0|2,0,0]=4 4922 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,1,0,1,0,0|1,0,1]=4 4923 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,1,0,1,0,0|1,0,1]=4 4924 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,1,0,1,0,0|1,0,1]=4 4925 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,1,0,1,0,0|1,0,1]=4 4926 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,1,0,0|1,0,0]=3 4927 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,1,0,0|1,0,0]=3 4928 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,1,0,0|1,0,0]=3 4929 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,1,0,0|1,0,0]=3 4930 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,1,0,1,0,0|1,1,0]=4 4931 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,1,0,1,0,0|1,1,0]=4 4932 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,1,0,1,0,0|1,1,0]=4 4933 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,1,0,1,0,0|1,1,0]=4 4934 B7R1.4 N[C@@H]1CONC1=O MCULE-4212827696 [0,1,0,1,0,0|2,0,0]=4 4935 B7R1.4 N[C@@H]1CONC1=O MCULE-6014142329 [0,1,0,1,0,0|2,0,0]=4 4936 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,1,0,1,0,0|1,0,1]=4 4937 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,1,0,1,0,0|1,0,1]=4 4938 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,1,0,1,0,0|1,0,1]=4 4939 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,1,0,1,0,0|1,0,1]=4 4940 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,1,0,0|1,0,0]=3 4941 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,1,0,0|1,0,0]=3 4942 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,1,0,0|1,0,0]=3 4943 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,1,0,0|1,0,0]=3 4944 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,1,0,0|1,0,0]=3 4945 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,1,0,1,0,0|1,1,0]=4 4946 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,1,0,1,0,0|1,1,0]=4 4947 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,1,0,1,0,0|1,1,0]=4 4948 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,1,0,1,0,0|1,1,0]=4 4949 B7R1.4 N[C@H]1CONC1=O MCULE-4286940154 [0,1,0,1,0,0|2,0,0]=4 4950 B7R1.4 N[C@H]1CONC1=O MCULE-9925977120 [0,1,0,1,0,0|2,0,0]=4 4951 B7R1.4 O=C1CCC=C1Br MCULE-1509582125 [0,1,0,1,0,0|2,0,0]=4 4952 B7R1.4 O=C1CCC=C1I MCULE-2710048446 [0,1,0,1,0,0|2,0,0]=4 4953 B7R1.4 O=C1CCC=C1O MCULE-8745661989 [0,1,0,1,0,0|1,0,0]=3 4954 B7R1.4 O=C1CCCC1=O MCULE-8040167119 [0,1,0,1,0,0|1,0,1]=4 4955 B7R1.4 O=C1CCCC1Br MCULE-3651373380 [0,1,0,1,0,0|2,0,0]=4 4956 B7R1.4 O=C1CCCC1Cl MCULE-7745647260 [0,1,0,1,0,0|2,0,0]=4 4957 B7R1.4 O=C1CCCC1F MCULE-8001765295 [0,1,0,1,0,0|2,0,0]=4 4958 B7R1.4 O=C1CCCC1O MCULE-6795188798 [0,1,0,1,0,0|1,0,0]=3 4959 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,1,0,0|0,0,1]=3 4960 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,1,0,1,0,0|1,0,1]=4 4961 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,1,0,1,0,0|1,0,1]=4 4962 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,1,0,1,0,0|1,0,1]=4 4963 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,1,0,1,0,0|0,0,1]=3 4964 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,1,0,1,0,0|0,0,1]=3 4965 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,1,0,1,0,0|0,0,1]=3 4966 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,1,0,1,0,0|0,0,1]=3 4967 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,1,0,1,0,0|0,0,1]=3 4968 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,1,0,1,0,0|0,0,1]=3 4969 B7R1.4 O=C1OCCC1Br MCULE-8316114331 [0,1,0,1,0,0|1,0,0]=3 4970 B7R1.4 O=C1OCCC1O MCULE-2144002601 [0,1,0,1,0,0|1,0,0]=3 4971 B7R1.4 O=C1OCCC1S MCULE-2130434062 [0,1,0,1,0,0|1,0,0]=3 4972 B7R1.4 O=C1OCC[C@@H]1O MCULE-7764011790 [0,1,0,1,0,0|1,0,0]=3 4973 B7R1.4 O=C1OCC[C@@H]1O MCULE-9001729998 [0,1,0,1,0,0|1,0,0]=3 4974 B7R1.4 O=C1OCC[C@H]1O MCULE-6949645282 [0,1,0,1,0,0|1,0,0]=3 4975 B7R1.4 O=C1OCC[C@H]1O MCULE-7110242636 [0,1,0,1,0,0|1,0,0]=3 4976 B7R1.4 OC1CNCC1Br MCULE-1241091506 [0,1,0,1,0,0|1,0,1]=4 4977 B7R1.4 OC1CNCC1Br MCULE-4889737174 [0,1,0,1,0,0|1,0,1]=4 4978 B7R1.4 OC1CNCC1F MCULE-3412240528 [0,1,0,1,0,0|1,0,1]=4 4979 B7R1.4 OC1CNCC1F MCULE-7214807363 [0,1,0,1,0,0|1,0,1]=4 4980 B7R1.4 OC1CNCC1O MCULE-4416566731 [0,1,0,1,0,0|1,0,1]=4 4981 B7R1.4 OC1CNCC1O MCULE-7287658845 [0,1,0,1,0,0|1,0,1]=4 4982 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-4544085940 [0,1,0,1,0,0|1,0,1]=4 4983 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-6356393045 [0,1,0,1,0,0|1,0,1]=4 4984 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-7332143154 [0,1,0,1,0,0|1,0,1]=4 4985 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-8032995983 [0,1,0,1,0,0|1,0,1]=4 4986 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-8052505932 [0,1,0,1,0,0|1,0,1]=4 4987 B7R1.4 O[C@@H]1CNC[C@@H]1F MCULE-8564653401 [0,1,0,1,0,0|1,0,1]=4 4988 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-2691246784 [0,1,0,1,0,0|1,0,1]=4 4989 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-7250968554 [0,1,0,1,0,0|1,0,1]=4 4990 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-8439784112 [0,1,0,1,0,0|1,0,1]=4 4991 B7R1.4 O[C@@H]1CNC[C@H]1F MCULE-8682802807 [0,1,0,1,0,0|1,0,1]=4 4992 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-2199886254 [0,1,0,1,0,0|1,0,1]=4 4993 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-3341203076 [0,1,0,1,0,0|1,0,1]=4 4994 B7R1.4 O[C@@H]1CNC[C@H]1O MCULE-5521619072 [0,1,0,1,0,0|1,0,1]=4 4995 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-3839318633 [0,1,0,1,0,0|1,0,1]=4 4996 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-4218821429 [0,1,0,1,0,0|1,0,1]=4 4997 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-7845583982 [0,1,0,1,0,0|1,0,1]=4 4998 B7R1.4 O[C@H]1CNC[C@@H]1F MCULE-9325791348 [0,1,0,1,0,0|1,0,1]=4 4999 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-5585016580 [0,1,0,1,0,0|1,0,1]=4 5000 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-6252837981 [0,1,0,1,0,0|1,0,1]=4 5001 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-7474807017 [0,1,0,1,0,0|1,0,1]=4 5002 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-8814174366 [0,1,0,1,0,0|1,0,1]=4 5003 B7R1.4 O[C@H]1CNC[C@@H]1O MCULE-9936814184 [0,1,0,1,0,0|1,0,1]=4 5004 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-2104048645 [0,1,0,1,0,0|1,0,1]=4 5005 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-5086480017 [0,1,0,1,0,0|1,0,1]=4 5006 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-5328004683 [0,1,0,1,0,0|1,0,1]=4 5007 B7R1.4 O[C@H]1CNC[C@H]1F MCULE-5990996560 [0,1,0,1,0,0|1,0,1]=4 5008 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-8087937166 [0,1,0,1,0,0|1,0,1]=4 5009 B7R1.4 O[C@H]1CNC[C@H]1O MCULE-9522092804 [0,1,0,1,0,0|1,0,1]=4 5010 B7R1.4 [C@@H]1(CNC[C@@H]1O)O MCULE-2661544949 [0,1,0,1,0,0|1,0,1]=4 5011 B7R1.4 [C@H]1(CNC[C@H]1F)O MCULE-1484680203 [0,1,0,1,0,0|1,0,1]=4 5012 B7R1.4 [C@H]1(CNC[C@H]1F)O MCULE-7754900549 [0,1,0,1,0,0|1,0,1]=4 5013 B7R1.4 [NH3+][C@H]1CCOC1=O MCULE-8903471982 [0,1,0,1,0,0|1,0,0]=3 5014 B7R1.6 NCCC1CCO1 MCULE-3619983020 [0,1,0,1,0,0|1,0,1]=4 5015 B7R1.6 NCCC1COC1 MCULE-6363254952 [0,1,0,1,0,0|1,0,1]=4 5016 B7R1.6 NCCC1COC1 MCULE-6907504739 [0,1,0,1,0,0|1,0,1]=4 5017 B7R1.6 NCC[C@@H]1CCO1 MCULE-5442768835 [0,1,0,1,0,0|1,0,1]=4 5018 B7R1.8 CCC1CCC1=O MCULE-5109615435 [0,1,0,1,0,0|2,0,0]=4 5019 B7R1.8 O=C1CCC1CO MCULE-5501600764 [0,1,0,1,0,0|2,0,0]=4 5020 B7R1.8 O=C1CC[C@@H]1CO MCULE-9840363539 [0,1,0,1,0,0|2,0,0]=4 5021 B7R1.9 NCC1CC1CO MCULE-2679526126 [0,1,0,1,0,0|1,0,1]=4 5022 B7R1.9 NC[C@H]1C[C@@H]1CO MCULE-4100547975 [0,1,0,1,0,0|1,0,1]=4 5023 B7R1.9 NC[C@H]1C[C@H]1CO MCULE-4756509186 [0,1,0,1,0,0|1,0,1]=4 5024 B7R1.10 C#CC1CC(=O)C1 MCULE-3858789141 [0,1,0,1,0,0|2,0,0]=4 5025 B7R1.10 C=C1CC(C1)CN MCULE-1227151583 [0,1,0,1,0,0|2,0,0]=4 5026 B7R1.10 C=C1CC(C1)NC MCULE-3988893291 [0,1,0,1,0,0|2,0,0]=4 5027 B7R1.10 C=CC1CC(=O)C1 MCULE-2741892250 [0,1,0,1,0,0|2,0,0]=4 5028 B7R1.10 C=CC1CC(=O)N1 MCULE-2790457728 [0,1,0,1,0,0|2,0,0]=4 5029 B7R1.10 CCC1CC(=O)C1 MCULE-6356390328 [0,1,0,1,0,0|2,0,0]=4 5030 B7R1.10 CNC1CC(C1)O MCULE-1360972312 [0,1,0,1,0,0|1,0,1]=4 5031 B7R1.10 CNC1CC(C1)O MCULE-1798280109 [0,1,0,1,0,0|1,0,1]=4 5032 B7R1.10 CN[C@H]1C[C@@H](C1)O MCULE-2573139583 [0,1,0,1,0,0|1,0,1]=4 5033 B7R1.10 CN[C@H]1C[C@@H](C1)O MCULE-8240672064 [0,1,0,1,0,0|1,0,1]=4 5034 B7R1.10 CN[C@H]1C[C@H](C1)O MCULE-1676114682 [0,1,0,1,0,0|1,0,1]=4 5035 B7R1.10 CN[C@H]1C[C@H](C1)O MCULE-5219886186 [0,1,0,1,0,0|1,0,1]=4 5036 B7R1.10 COC1CC(=O)C1 MCULE-3488458490 [0,1,0,1,0,0|2,0,0]=4 5037 B7R1.10 COC1CC(C1)N MCULE-1660819417 [0,1,0,1,0,0|1,0,1]=4 5038 B7R1.10 COC1CC(C1)N MCULE-8999221377 [0,1,0,1,0,0|1,0,1]=4 5039 B7R1.10 CO[C@H]1C[C@@H](C1)N MCULE-7191327129 [0,1,0,1,0,0|1,0,1]=4 5040 B7R1.10 CO[C@H]1C[C@@H](C1)N MCULE-8453539406 [0,1,0,1,0,0|1,0,1]=4 5041 B7R1.10 CO[C@H]1C[C@H](C1)N MCULE-1470713902 [0,1,0,1,0,0|1,0,1]=4 5042 B7R1.10 CO[C@H]1C[C@H](C1)N MCULE-7213635913 [0,1,0,1,0,0|1,0,1]=4 5043 B7R1.10 CSC1CC(=O)C1 MCULE-4578180421 [0,1,0,1,0,0|2,0,0]=4 5044 B7R1.10 N#CC1CC(=O)C1 MCULE-7054848642 [0,1,0,1,0,0|1,0,1]=4 5045 B7R1.10 NC1CC(C1)CO MCULE-4549811698 [0,1,0,1,0,0|1,0,1]=4 5046 B7R1.10 NC1CC(C1)CO MCULE-9310533439 [0,1,0,1,0,0|1,0,1]=4 5047 B7R1.10 NCC1CC(=O)C1 MCULE-2475090953 [0,1,0,1,0,0|1,0,0]=3 5048 B7R1.10 NCC1CC(=O)C1 MCULE-3448735299 [0,1,0,1,0,0|1,0,0]=3 5049 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,1,0,1,0,0|1,0,0]=3 5050 B7R1.10 NCC1CC(C1)O MCULE-1448807479 [0,1,0,1,0,0|1,0,1]=4 5051 B7R1.10 NCC1CC(C1)O MCULE-5095960848 [0,1,0,1,0,0|1,0,1]=4 5052 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-2155101378 [0,1,0,1,0,0|1,0,1]=4 5053 B7R1.10 NC[C@H]1C[C@@H](C1)O MCULE-3237212031 [0,1,0,1,0,0|1,0,1]=4 5054 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-3137766844 [0,1,0,1,0,0|1,0,1]=4 5055 B7R1.10 NC[C@H]1C[C@H](C1)O MCULE-6173771659 [0,1,0,1,0,0|1,0,1]=4 5056 B7R1.10 NNC1CC(C1)O MCULE-5994485672 [0,1,0,1,0,0|1,0,1]=4 5057 B7R1.10 NN[C@H]1C[C@@H](C1)O MCULE-7299068166 [0,1,0,1,0,0|1,0,1]=4 5058 B7R1.10 NN[C@H]1C[C@H](C1)O MCULE-6067864594 [0,1,0,1,0,0|1,0,1]=4 5059 B7R1.10 NN[C@H]1C[C@H](C1)O MCULE-8225790345 [0,1,0,1,0,0|1,0,1]=4 5060 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-1976271596 [0,1,0,1,0,0|1,0,1]=4 5061 B7R1.10 N[C@H]1C[C@@H](C1)CO MCULE-2004610084 [0,1,0,1,0,0|1,0,1]=4 5062 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-3406959231 [0,1,0,1,0,0|1,0,1]=4 5063 B7R1.10 N[C@H]1C[C@H](C1)CO MCULE-9771399616 [0,1,0,1,0,0|1,0,1]=4 5064 B7R1.10 O=C1CC(C1)CBr MCULE-3146426428 [0,1,0,1,0,0|2,0,0]=4 5065 B7R1.10 O=C1CC(C1)CCl MCULE-9945216137 [0,1,0,1,0,0|2,0,0]=4 5066 B7R1.10 O=C1CC(C1)CF MCULE-5064337976 [0,1,0,1,0,0|2,0,0]=4 5067 B7R1.10 O=C1CC(C1)CO MCULE-6785243243 [0,1,0,1,0,0|2,0,0]=4 5068 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [0,1,0,1,0,0|2,0,0]=4 5069 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,1,0,1,0,0|2,0,0]=4 5070 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,1,0,1,0,0|2,0,0]=4 5071 B7R1.10 O=C1CC(O1)CBr MCULE-1451058371 [0,1,0,1,0,0|1,0,0]=3 5072 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,1,0,1,0,0|2,0,0]=4 5073 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,1,0,1,0,0|2,0,0]=4 5074 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,1,0,1,0,0|2,0,0]=4 5075 B7R1.15 CC1CC(=O)C1C MCULE-1068922218 [0,1,0,1,0,0|2,0,0]=4 5076 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,1,0,1,0,0|2,0,0]=4 5077 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,1,0,1,0,0|2,0,0]=4 5078 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,1,0,1,0,0|2,0,0]=4 5079 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,1,0,1,0,0|2,0,0]=4 5080 B7R1.21 NCCC1(CC1)O MCULE-7254265215 [0,1,0,1,0,0|1,0,1]=4 5081 B7R1.21 NCCC1(CC1)O MCULE-9873887297 [0,1,0,1,0,0|1,0,1]=4 5082 B7R1.22 C/C(=N/O)/C1CC1 MCULE-9504873944 [0,1,0,1,0,0|2,0,0]=4 5083 B7R1.22 C1(CO1)C(=O)OC MCULE-1350193594 [0,1,0,1,0,0|1,0,0]=3 5084 B7R1.22 C=CC(=O)C1CC1 MCULE-4167270466 [0,1,0,1,0,0|2,0,0]=4 5085 B7R1.22 CC(=NO)C1CC1 MCULE-2639658638 [0,1,0,1,0,0|2,0,0]=4 5086 B7R1.22 CCC(=O)C1CC1 MCULE-6231785303 [0,1,0,1,0,0|2,0,0]=4 5087 B7R1.22 CNC(=O)C1CC1 MCULE-5799863193 [0,1,0,1,0,0|2,0,0]=4 5088 B7R1.22 COC(=N)C1CC1 MCULE-3594886802 [0,1,0,1,0,0|2,0,0]=4 5089 B7R1.22 COC(=N)C1CC1 MCULE-6548060912 [0,1,0,1,0,0|2,0,0]=4 5090 B7R1.22 COC(=O)C1CC1 MCULE-3338113454 [0,1,0,1,0,0|1,0,0]=3 5091 B7R1.22 COC(=O)C1CN1 MCULE-2166427972 [0,1,0,1,0,0|0,0,0]=2 5092 B7R1.22 COC(=O)C1CO1 MCULE-1745412030 [0,1,0,1,0,0|1,0,0]=3 5093 B7R1.22 COC(=O)N1CC1 MCULE-2788788116 [0,1,0,1,0,0|2,0,0]=4 5094 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-1955059175 [0,1,0,1,0,0|0,0,0]=2 5095 B7R1.22 COC(=O)[C@@H]1CN1 MCULE-5011635876 [0,1,0,1,0,0|0,0,0]=2 5096 B7R1.22 COC(=O)[C@@H]1CO1 MCULE-2259836812 [0,1,0,1,0,0|1,0,0]=3 5097 B7R1.22 COC(=O)[C@H]1CN1 MCULE-5882979938 [0,1,0,1,0,0|0,0,0]=2 5098 B7R1.22 COC(=O)[C@H]1CN1 MCULE-8601280412 [0,1,0,1,0,0|0,0,0]=2 5099 B7R1.22 COC(=O)[C@H]1CO1 MCULE-5568309714 [0,1,0,1,0,0|1,0,0]=3 5100 B7R1.22 COC(=O)[C@H]1CO1 MCULE-9432053348 [0,1,0,1,0,0|1,0,0]=3 5101 B7R1.22 N/C(=N\O)/C1CC1 MCULE-1839060575 [0,1,0,1,0,0|2,0,0]=4 5102 B7R1.22 N/C(=N\O)/C1CC1 MCULE-7991254390 [0,1,0,1,0,0|2,0,0]=4 5103 B7R1.22 NCC(=O)C1CC1 MCULE-1927654168 [0,1,0,1,0,0|2,0,0]=4 5104 B7R1.22 NCC(=O)C1CC1 MCULE-4415662894 [0,1,0,1,0,0|2,0,0]=4 5105 B7R1.22 NNC(=O)C1CC1 MCULE-3608531301 [0,1,0,1,0,0|2,0,0]=4 5106 B7R1.22 O=C(CBr)C1CC1 MCULE-1037373080 [0,1,0,1,0,0|2,0,0]=4 5107 B7R1.22 O=C(CCl)C1CC1 MCULE-9791345328 [0,1,0,1,0,0|2,0,0]=4 5108 B7R1.22 O=C(CO)C1CC1 MCULE-4276266642 [0,1,0,1,0,0|1,0,0]=3 5109 B7R1.22 O=C(NO)C1CC1 MCULE-2299815322 [0,1,0,1,0,0|1,0,0]=3 5110 B7R1.22 [C@H]1(CO1)C(=O)OC MCULE-2114123664 [0,1,0,1,0,0|1,0,0]=3 5111 B7R1.25 CC1(CCN1)CO MCULE-2134260042 [0,1,0,1,0,0|1,0,1]=4 5112 B7R1.25 CC1(CCN1)CO MCULE-3210259937 [0,1,0,1,0,0|1,0,1]=4 5113 B7R1.27 COC1(CC1N)C MCULE-2779937239 [0,1,0,1,0,0|1,0,1]=4 5114 B7R1.12 C=C1CC1C(=O)O MCULE-4330944573 [0,1,0,1,0,0|1,0,0]=3 5115 B7R1.12 CC(=O)C1CC1C MCULE-5857709747 [0,1,0,1,0,0|2,0,0]=4 5116 B7R1.12 CC(=O)[C@@H]1C[C@H]1C MCULE-4367650211 [0,1,0,1,0,0|2,0,0]=4 5117 B7R1.12 CC1=CC1C(=O)O MCULE-6979504623 [0,1,0,1,0,0|1,0,1]=4 5118 B7R1.12 CC1CC1C(=O)Cl MCULE-7645594952 [0,1,0,1,0,0|2,0,0]=4 5119 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,1,0,1,0,0|2,0,0]=4 5120 B7R1.12 CC1CC1C(=O)O MCULE-1757330006 [0,1,0,1,0,0|1,0,0]=3 5121 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,1,0,1,0,0|2,0,0]=4 5122 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-1245851874 [0,1,0,1,0,0|1,0,0]=3 5123 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O MCULE-9582782871 [0,1,0,1,0,0|1,0,0]=3 5124 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-2621918749 [0,1,0,1,0,0|1,0,0]=3 5125 B7R1.12 C[C@@H]1C[C@H]1C(=O)O MCULE-7347988261 [0,1,0,1,0,0|1,0,0]=3 5126 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-4499487863 [0,1,0,1,0,0|1,0,0]=3 5127 B7R1.12 C[C@H]1C[C@@H]1C(=O)O MCULE-9300153165 [0,1,0,1,0,0|1,0,0]=3 5128 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-4410115478 [0,1,0,1,0,0|1,0,0]=3 5129 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-6590525761 [0,1,0,1,0,0|1,0,0]=3 5130 B7R1.12 C[C@H]1C[C@H]1C(=O)O MCULE-8070492716 [0,1,0,1,0,0|1,0,0]=3 5131 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,1,0,1,0,0|1,0,0]=3 5132 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,1,0,1,0,0|2,0,0]=4 5133 B7R1.12 O=C(O)C1CC1Br MCULE-6387317137 [0,1,0,1,0,0|1,0,0]=3 5134 B7R1.12 O=C(O)C1CC1Cl MCULE-8907850405 [0,1,0,1,0,0|1,0,0]=3 5135 B7R1.12 O=C(O)C1CC1F MCULE-8258481986 [0,1,0,1,0,0|1,0,0]=3 5136 B7R1.12 O=C(O)C1CC1I MCULE-9535592263 [0,1,0,1,0,0|1,0,0]=3 5137 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-1882710455 [0,1,0,1,0,0|1,0,0]=3 5138 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7715660561 [0,1,0,1,0,0|1,0,0]=3 5139 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F MCULE-7741460434 [0,1,0,1,0,0|1,0,0]=3 5140 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-2594739726 [0,1,0,1,0,0|1,0,0]=3 5141 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-3033770510 [0,1,0,1,0,0|1,0,0]=3 5142 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I MCULE-6224902495 [0,1,0,1,0,0|1,0,0]=3 5143 B7R1.12 O=C(O)[C@@H]1C[C@H]1Br MCULE-3031410853 [0,1,0,1,0,0|1,0,0]=3 5144 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-1201733028 [0,1,0,1,0,0|1,0,0]=3 5145 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-5963625184 [0,1,0,1,0,0|1,0,0]=3 5146 B7R1.12 O=C(O)[C@@H]1C[C@H]1F MCULE-9724617114 [0,1,0,1,0,0|1,0,0]=3 5147 B7R1.12 O=C(O)[C@@H]1C[C@H]1I MCULE-3702576454 [0,1,0,1,0,0|1,0,0]=3 5148 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-3766204952 [0,1,0,1,0,0|1,0,0]=3 5149 B7R1.12 O=C(O)[C@H]1C[C@@H]1F MCULE-4258983574 [0,1,0,1,0,0|1,0,0]=3 5150 B7R1.12 O=C(O)[C@H]1C[C@H]1Br MCULE-3094747797 [0,1,0,1,0,0|1,0,0]=3 5151 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-7993479857 [0,1,0,1,0,0|1,0,0]=3 5152 B7R1.12 O=C(O)[C@H]1C[C@H]1F MCULE-9922834235 [0,1,0,1,0,0|1,0,0]=3 5153 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-5714437007 [0,1,0,1,0,0|1,0,0]=3 5154 B7R1.12 O=C(O)[C@H]1C[C@H]1I MCULE-8000208987 [0,1,0,1,0,0|1,0,0]=3 5155 B7R1.12 [C@H]1(C[C@H]1C(=O)O)C MCULE-9539625763 [0,1,0,1,0,0|1,0,0]=3 5156 B7R1.16 CC1(CC(=O)C1)C MCULE-4306266527 [0,1,0,1,0,0|2,0,0]=4 5157 B7R1.16 CC1(CC(=O)C1)N MCULE-1739432720 [0,1,0,1,0,0|1,0,0]=3 5158 B7R1.16 CC1(CC(=O)C1)N MCULE-2529462721 [0,1,0,1,0,0|1,0,0]=3 5159 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,1,0,1,0,0|2,0,0]=4 5160 B7R1.16 CC1(CC(C1)N)O MCULE-4731102959 [0,1,0,1,0,0|1,0,1]=4 5161 B7R1.16 CC1(CC(C1)N)O MCULE-9310046804 [0,1,0,1,0,0|1,0,1]=4 5162 B7R1.16 CC1(CC(C1)O)N MCULE-1038746550 [0,1,0,1,0,0|1,0,1]=4 5163 B7R1.16 CC1(CC(C1)O)N MCULE-9322183723 [0,1,0,1,0,0|1,0,1]=4 5164 B7R1.16 C[C@@]1(C[C@@H](C1)N)O MCULE-2987812366 [0,1,0,1,0,0|1,0,1]=4 5165 B7R1.16 C[C@@]1(C[C@@H](C1)N)O MCULE-7967573609 [0,1,0,1,0,0|1,0,1]=4 5166 B7R1.16 C[C@@]1(C[C@@H](C1)O)N MCULE-6217394176 [0,1,0,1,0,0|1,0,1]=4 5167 B7R1.16 C[C@@]1(C[C@@H](C1)O)N MCULE-8859357729 [0,1,0,1,0,0|1,0,1]=4 5168 B7R1.16 C[C@@]1(C[C@H](C1)N)O MCULE-4536582361 [0,1,0,1,0,0|1,0,1]=4 5169 B7R1.16 C[C@@]1(C[C@H](C1)N)O MCULE-9705176834 [0,1,0,1,0,0|1,0,1]=4 5170 B7R1.16 C[C@@]1(C[C@H](C1)O)N MCULE-4910539354 [0,1,0,1,0,0|1,0,1]=4 5171 B7R1.16 C[C@@]1(C[C@H](C1)O)N MCULE-5459432358 [0,1,0,1,0,0|1,0,1]=4 5172 B7R1.16 NC1CS(=O)(=O)C1 MCULE-1434085604 [0,1,0,1,0,0|1,0,1]=4 5173 B7R1.16 NC1CS(=O)(=O)C1 MCULE-8044332494 [0,1,0,1,0,0|1,0,1]=4 5174 B7R1.16 O=C1CC(C1)(F)F MCULE-6471478479 [0,1,0,1,0,0|2,0,0]=4 5175 B7R1.20 CC(=O)CC1CC1 MCULE-3465510397 [0,1,0,1,0,0|2,0,0]=4 5176 B7R1.20 CC(=O)NC1CC1 MCULE-7553641762 [0,1,0,1,0,0|2,0,0]=4 5177 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,1,0,1,0,0|2,0,0]=4 5178 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,1,0,1,0,0|2,0,0]=4 5179 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [0,1,0,1,0,0|2,0,0]=4 5180 B7R1.20 O=C(Cl)CC1CC1 MCULE-9640878584 [0,1,0,1,0,0|2,0,0]=4 5181 B7R1.20 O=C(Cl)NC1CC1 MCULE-8107862020 [0,1,0,1,0,0|2,0,0]=4 5182 B7R1.20 O=C(Cl)OC1CC1 MCULE-4373365407 [0,1,0,1,0,0|2,0,0]=4 5183 B7R1.20 O=C(O)C=C1CC1 MCULE-7214971091 [0,1,0,1,0,0|1,0,1]=4 5184 B7R1.20 O=C(O)CC1CC1 MCULE-3026300598 [0,1,0,1,0,0|1,0,0]=3 5185 B7R1.20 O=C(O)CC1CO1 MCULE-5322663834 [0,1,0,1,0,0|1,0,0]=3 5186 B7R1.20 O=C(O)C[C@H]1CO1 MCULE-2418249972 [0,1,0,1,0,0|1,0,0]=3 5187 B7R1.17 CC1CNS1(=O)=O MCULE-9736489046 [0,1,0,1,0,0|1,0,1]=4 5188 B7R1.18 C1(CCN1)C(=O)O MCULE-9324355017 [0,1,0,1,0,0|0,0,0]=2 5189 B7R1.18 CC(=O)C1CCC1 MCULE-5770046789 [0,1,0,1,0,0|2,0,0]=4 5190 B7R1.18 CC(=O)C1CNC1 MCULE-2354733934 [0,1,0,1,0,0|1,0,0]=3 5191 B7R1.18 CC(=O)C1CNC1 MCULE-3110609785 [0,1,0,1,0,0|1,0,0]=3 5192 B7R1.18 CC(=O)C1CNC1 MCULE-4112322251 [0,1,0,1,0,0|1,0,0]=3 5193 B7R1.18 CC(=O)C1COC1 MCULE-3416774210 [0,1,0,1,0,0|2,0,0]=4 5194 B7R1.18 CC(=O)N1CCC1 MCULE-6467100562 [0,1,0,1,0,0|2,0,0]=4 5195 B7R1.18 CC(O)C1CNC1 MCULE-1265886795 [0,1,0,1,0,0|1,0,1]=4 5196 B7R1.18 CC(O)C1CNC1 MCULE-5108259269 [0,1,0,1,0,0|1,0,1]=4 5197 B7R1.18 CC(O)C1CNC1 MCULE-8265279011 [0,1,0,1,0,0|1,0,1]=4 5198 B7R1.18 CS(=O)C1CNC1 MCULE-1896314246 [0,1,0,1,0,0|2,0,0]=4 5199 B7R1.18 CS(=O)C1CNC1 MCULE-3655021594 [0,1,0,1,0,0|2,0,0]=4 5200 B7R1.18 C[C@H](O)C1CNC1 MCULE-4694154501 [0,1,0,1,0,0|1,0,1]=4 5201 B7R1.18 C[C@H](O)C1CNC1 MCULE-5870270724 [0,1,0,1,0,0|1,0,1]=4 5202 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,1,0,1,0,0|2,0,0]=4 5203 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,1,0,1,0,0|1,0,0]=3 5204 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,1,0,1,0,0|1,0,0]=3 5205 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,1,0,1,0,0|1,0,0]=3 5206 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,1,0,1,0,0|1,0,0]=3 5207 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,1,0,1,0,0|1,0,0]=3 5208 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,1,0,1,0,0|2,0,0]=4 5209 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [0,1,0,1,0,0|2,0,0]=4 5210 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,1,0,1,0,0|1,0,0]=3 5211 B7R1.18 O=C(Cl)C1CCC1 MCULE-2155859428 [0,1,0,1,0,0|2,0,0]=4 5212 B7R1.18 O=C(Cl)N1CCC1 MCULE-8313088104 [0,1,0,1,0,0|2,0,0]=4 5213 B7R1.18 O=C(O)C1=CCC1 MCULE-4244912351 [0,1,0,1,0,0|1,0,0]=3 5214 B7R1.18 O=C(O)C1CCC1 MCULE-2498509888 [0,1,0,1,0,0|1,0,0]=3 5215 B7R1.18 O=C(O)C1CCN1 MCULE-1336085891 [0,1,0,1,0,0|0,0,0]=2 5216 B7R1.18 O=C(O)C1CCN1 MCULE-6501890131 [0,1,0,1,0,0|0,0,0]=2 5217 B7R1.18 O=C(O)C1CCN1 MCULE-7647115314 [0,1,0,1,0,0|0,0,0]=2 5218 B7R1.18 O=C(O)C1CCO1 MCULE-6065911736 [0,1,0,1,0,0|1,0,0]=3 5219 B7R1.18 O=C(O)C1CCO1 MCULE-9296370119 [0,1,0,1,0,0|1,0,0]=3 5220 B7R1.18 O=C(O)C1CNC1 MCULE-2350328355 [0,1,0,1,0,0|0,0,0]=2 5221 B7R1.18 O=C(O)C1CNC1 MCULE-7890374869 [0,1,0,1,0,0|0,0,0]=2 5222 B7R1.18 O=C(O)C1COC1 MCULE-2530431165 [0,1,0,1,0,0|1,0,0]=3 5223 B7R1.18 O=C(O)C1CSC1 MCULE-4019152056 [0,1,0,1,0,0|1,0,0]=3 5224 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2126306157 [0,1,0,1,0,0|0,0,0]=2 5225 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-2597576629 [0,1,0,1,0,0|0,0,0]=2 5226 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-6006656004 [0,1,0,1,0,0|0,0,0]=2 5227 B7R1.18 O=C(O)[C@@H]1CCN1 MCULE-7241612713 [0,1,0,1,0,0|0,0,0]=2 5228 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-5117442811 [0,1,0,1,0,0|1,0,0]=3 5229 B7R1.18 O=C(O)[C@@H]1CCO1 MCULE-8116248615 [0,1,0,1,0,0|1,0,0]=3 5230 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-3254184046 [0,1,0,1,0,0|0,0,0]=2 5231 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5162570273 [0,1,0,1,0,0|0,0,0]=2 5232 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-5488052558 [0,1,0,1,0,0|0,0,0]=2 5233 B7R1.18 O=C(O)[C@H]1CCN1 MCULE-8240936495 [0,1,0,1,0,0|0,0,0]=2 5234 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-5499247834 [0,1,0,1,0,0|1,0,0]=3 5235 B7R1.18 O=C(O)[C@H]1CCO1 MCULE-7468207073 [0,1,0,1,0,0|1,0,0]=3 5236 B7R1.19 CC(=O)C1(CC1)Br MCULE-6185731473 [0,1,0,1,0,0|2,0,0]=4 5237 B7R1.19 CC(=O)C1(CC1)C MCULE-8745387740 [0,1,0,1,0,0|2,0,0]=4 5238 B7R1.19 CC(=O)C1(CC1)Cl MCULE-5975776904 [0,1,0,1,0,0|2,0,0]=4 5239 B7R1.19 CC(=O)C1(CC1)F MCULE-5848997919 [0,1,0,1,0,0|2,0,0]=4 5240 B7R1.19 CC(=O)C1(CC1)N MCULE-2138315633 [0,1,0,1,0,0|2,0,0]=4 5241 B7R1.19 CC(=O)C1(CC1)N MCULE-4094057841 [0,1,0,1,0,0|2,0,0]=4 5242 B7R1.19 CC(=O)C1(CO1)C MCULE-3263824467 [0,1,0,1,0,0|2,0,0]=4 5243 B7R1.19 CC1(CC1)C(=O)Cl MCULE-6881294103 [0,1,0,1,0,0|2,0,0]=4 5244 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,1,0,1,0,0|2,0,0]=4 5245 B7R1.19 CC1(CC1)C(=O)O MCULE-6220717648 [0,1,0,1,0,0|1,0,0]=3 5246 B7R1.19 CC1(CO1)C(=O)O MCULE-9344660544 [0,1,0,1,0,0|1,0,0]=3 5247 B7R1.19 CC1(CS1)C(=O)N MCULE-5046393193 [0,1,0,1,0,0|2,0,0]=4 5248 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,1,0,1,0,0|2,0,0]=4 5249 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,1,0,1,0,0|2,0,0]=4 5250 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,1,0,1,0,0|2,0,0]=4 5251 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,1,0,1,0,0|2,0,0]=4 5252 B7R1.19 NC1(CC1)C(=O)Cl MCULE-1901749245 [0,1,0,1,0,0|2,0,0]=4 5253 B7R1.19 NC1(CC1)C(=O)Cl MCULE-4354269723 [0,1,0,1,0,0|2,0,0]=4 5254 B7R1.19 NC1(CC1)C(=O)O MCULE-8718774934 [0,1,0,1,0,0|1,0,0]=3 5255 B7R1.19 NC1(CC1)C(=O)O MCULE-8788149299 [0,1,0,1,0,0|1,0,0]=3 5256 B7R1.19 O=C(O)C1(CC1)Br MCULE-9862099846 [0,1,0,1,0,0|1,0,0]=3 5257 B7R1.19 O=C(O)C1(CC1)Cl MCULE-9183003328 [0,1,0,1,0,0|1,0,0]=3 5258 B7R1.19 O=C(O)C1(CC1)F MCULE-1230430743 [0,1,0,1,0,0|1,0,0]=3 5259 B7R1.19 O=C(O)C1(CC1)I MCULE-7977320561 [0,1,0,1,0,0|1,0,0]=3 5260 B7R1.19 O=C(O)C1(CC1)O MCULE-7923609070 [0,1,0,1,0,0|1,0,0]=3 5261 B7R1.14 CC1(CCNC1)O MCULE-1812572207 [0,1,0,1,0,0|1,0,1]=4 5262 B7R1.14 CC1(CCNC1)O MCULE-3978790995 [0,1,0,1,0,0|1,0,1]=4 5263 B7R1.14 CC1(CCNC1)O MCULE-6355817754 [0,1,0,1,0,0|1,0,1]=4 5264 B7R1.14 CC1(CCNC1)O MCULE-7199660654 [0,1,0,1,0,0|1,0,1]=4 5265 B7R1.14 C[C@@]1(CCNC1)O MCULE-2185266890 [0,1,0,1,0,0|1,0,1]=4 5266 B7R1.14 C[C@@]1(CCNC1)O MCULE-4472850857 [0,1,0,1,0,0|1,0,1]=4 5267 B7R1.14 C[C@@]1(CCNC1)O MCULE-7216590589 [0,1,0,1,0,0|1,0,1]=4 5268 B7R1.14 C[C@@]1(CCNC1)O MCULE-9031112405 [0,1,0,1,0,0|1,0,1]=4 5269 B7R1.14 C[C@]1(CCNC1)O MCULE-2513078981 [0,1,0,1,0,0|1,0,1]=4 5270 B7R1.14 C[C@]1(CCNC1)O MCULE-2837064957 [0,1,0,1,0,0|1,0,1]=4 5271 B7R1.14 C[C@]1(CCNC1)O MCULE-5133863014 [0,1,0,1,0,0|1,0,1]=4 5272 B7R1.14 C[C@]1(CCNC1)O MCULE-5887726834 [0,1,0,1,0,0|1,0,1]=4 5273 B7R1.14 O=S1(=O)CCCN1 MCULE-8201546192 [0,1,0,1,0,0|1,0,1]=4 5274 B7R1.14 O=S1(=O)CCCO1 MCULE-4897687828 [0,1,0,1,0,0|2,0,0]=4 5275 B7R1.14 O=S1(=O)NCCN1 MCULE-4603146826 [0,1,0,1,0,0|1,0,1]=4 5276 B7R1.14 O=S1(=O)NCCO1 MCULE-2978152198 [0,1,0,1,0,0|1,0,1]=4 5277 B7R2.13 C1NCC2C1O2 MCULE-2427865207 [0,0,0,2,0,0|1,0,1]=4 5278 B7R2.13 C1NCC2C1O2 MCULE-9737269595 [0,0,0,2,0,0|1,0,1]=4