0 B5R0.1 C(C)(N)CCC MCULE-4800297905 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.1 C(C)(N)CCC MCULE-7674864567 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.1 C(C)(N)CCO MCULE-5545469271 [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 C/C(=C/C#N)/N MCULE-2195544039 [0,0,0,0,0,0|3,0,1]=4 4 B5R0.1 C/C(=C/CI)/I MCULE-4907089043 [0,0,0,0,0,0|4,0,0]=4 5 B5R0.1 C/C(=C/CN)/Cl MCULE-1091573118 [0,0,0,0,0,0|4,0,0]=4 6 B5R0.1 C/C(=C/CN)/Cl MCULE-8112023611 [0,0,0,0,0,0|4,0,0]=4 7 B5R0.1 C/C(=C\CCl)/Cl MCULE-6679259233 [0,0,0,0,0,0|4,0,0]=4 8 B5R0.1 C/C=C/C(=O)C MCULE-2109656516 [0,0,0,0,0,0|3,0,1]=4 9 B5R0.1 C/C=C/C(=O)Cl MCULE-8378824386 [0,0,0,0,0,0|3,0,1]=4 10 B5R0.1 C/C=C/C(=O)N MCULE-2532228624 [0,0,0,0,0,0|2,0,1]=3 11 B5R0.1 C/C=C/C(=O)O MCULE-6937494852 [0,0,0,0,0,0|3,0,1]=4 12 B5R0.1 C=C(Br)CCBr MCULE-7638627279 [0,0,0,0,0,0|4,0,0]=4 13 B5R0.1 C=C(Br)CCO MCULE-3743908958 [0,0,0,0,0,0|4,0,0]=4 14 B5R0.1 C=C(Br)COC MCULE-5349428431 [0,0,0,0,0,0|4,0,0]=4 15 B5R0.1 C=C(C)CCBr MCULE-3439794005 [0,0,0,0,0,0|4,0,0]=4 16 B5R0.1 C=C(C)CCC MCULE-8225129744 [0,0,0,0,0,0|3,0,0]=3 17 B5R0.1 C=C(C)CCCl MCULE-2816016781 [0,0,0,0,0,0|4,0,0]=4 18 B5R0.1 C=C(C)CCI MCULE-6317205481 [0,0,0,0,0,0|4,0,0]=4 19 B5R0.1 C=C(C)CCN MCULE-4037025602 [0,0,0,0,0,0|4,0,0]=4 20 B5R0.1 C=C(C)CCN MCULE-5001503744 [0,0,0,0,0,0|4,0,0]=4 21 B5R0.1 C=C(C)CCO MCULE-2689800711 [0,0,0,0,0,0|4,0,0]=4 22 B5R0.1 C=C(C)CNC MCULE-6783886553 [0,0,0,0,0,0|4,0,0]=4 23 B5R0.1 C=C(C)CNC MCULE-8292313282 [0,0,0,0,0,0|4,0,0]=4 24 B5R0.1 C=C(C)OCC MCULE-5303468686 [0,0,0,0,0,0|2,1,0]=3 25 B5R0.1 C=CCC(=N)N MCULE-6305125234 [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 C=CCC(=O)N MCULE-1205335257 [0,0,0,0,0,0|2,0,2]=4 27 B5R0.1 C=CNC(=O)N MCULE-4235216182 [0,0,0,0,0,0|2,0,2]=4 28 B5R0.1 C=NCC(=O)N MCULE-7609497329 [0,0,0,0,0,0|3,0,1]=4 29 B5R0.1 C=NCC(=S)N MCULE-6261527142 [0,0,0,0,0,0|3,0,1]=4 30 B5R0.1 CC#CC(=O)C MCULE-4083248904 [0,0,0,0,0,0|3,0,1]=4 31 B5R0.1 CC#CC(=O)Cl MCULE-6807810093 [0,0,0,0,0,0|3,0,1]=4 32 B5R0.1 CC#CC(=O)O MCULE-9994142213 [0,0,0,0,0,0|3,0,1]=4 33 B5R0.1 CC(=CC#N)N MCULE-7342293837 [0,0,0,0,0,0|3,0,1]=4 34 B5R0.1 CC(=CC=O)N MCULE-2659507627 [0,0,0,0,0,0|3,0,1]=4 35 B5R0.1 CC(=CCBr)C MCULE-7961276795 [0,0,0,0,0,0|4,0,0]=4 36 B5R0.1 CC(=CCCl)C MCULE-1110417103 [0,0,0,0,0,0|4,0,0]=4 37 B5R0.1 CC(=CCCl)Cl MCULE-9735045489 [0,0,0,0,0,0|4,0,0]=4 38 B5R0.1 CC(=CCI)I MCULE-4204968539 [0,0,0,0,0,0|4,0,0]=4 39 B5R0.1 CC(=CCN)C MCULE-7220252581 [0,0,0,0,0,0|4,0,0]=4 40 B5R0.1 CC(=CCN)C MCULE-8394581250 [0,0,0,0,0,0|4,0,0]=4 41 B5R0.1 CC(=CCN)Cl MCULE-1749173363 [0,0,0,0,0,0|4,0,0]=4 42 B5R0.1 CC(=CCN)Cl MCULE-5722512850 [0,0,0,0,0,0|4,0,0]=4 43 B5R0.1 CC(=CCO)C MCULE-3984123588 [0,0,0,0,0,0|4,0,0]=4 44 B5R0.1 CC(=CCO)Cl MCULE-6459066496 [0,0,0,0,0,0|4,0,0]=4 45 B5R0.1 CC(=CCO)I MCULE-4600854759 [0,0,0,0,0,0|4,0,0]=4 46 B5R0.1 CC(=CCS)C MCULE-4180446913 [0,0,0,0,0,0|4,0,0]=4 47 B5R0.1 CC(=N)NC#N MCULE-7065360421 [0,0,0,0,0,0|3,0,1]=4 48 B5R0.1 CC(=O)CCBr MCULE-2615300206 [0,0,0,0,0,0|4,0,0]=4 49 B5R0.1 CC(=O)CCCl MCULE-8019748964 [0,0,0,0,0,0|4,0,0]=4 50 B5R0.1 CC(=O)CCN MCULE-7550348751 [0,0,0,0,0,0|4,0,0]=4 51 B5R0.1 CC(=O)CCN MCULE-9519063810 [0,0,0,0,0,0|4,0,0]=4 52 B5R0.1 CC(=O)CCO MCULE-6328537335 [0,0,0,0,0,0|4,0,0]=4 53 B5R0.1 CC(=O)NCO MCULE-4563335540 [0,0,0,0,0,0|4,0,0]=4 54 B5R0.1 CC(=O)OCBr MCULE-9842804945 [0,0,0,0,0,0|3,1,0]=4 55 B5R0.1 CC(=O)OCCl MCULE-6822222026 [0,0,0,0,0,0|3,1,0]=4 56 B5R0.1 CC(=O)SCBr MCULE-9794607323 [0,0,0,0,0,0|3,0,0]=3 57 B5R0.1 CC(C)SCCl MCULE-3836735379 [0,0,0,0,0,0|3,0,1]=4 58 B5R0.1 CC(N)CCN MCULE-5308134596 [0,0,0,0,0,0|3,0,1]=4 59 B5R0.1 CC(N)CCN MCULE-5880045507 [0,0,0,0,0,0|3,0,1]=4 60 B5R0.1 CC(N)CCN MCULE-7827515430 [0,0,0,0,0,0|3,0,1]=4 61 B5R0.1 CC(N)CCO MCULE-1771399942 [0,0,0,0,0,0|3,0,1]=4 62 B5R0.1 CC(N)CCO MCULE-7239872808 [0,0,0,0,0,0|3,0,1]=4 63 B5R0.1 CC=CC(=O)C MCULE-4826977340 [0,0,0,0,0,0|3,0,1]=4 64 B5R0.1 CC=CC(=O)Cl MCULE-2747622237 [0,0,0,0,0,0|3,0,1]=4 65 B5R0.1 CC=CC(=O)N MCULE-9693879476 [0,0,0,0,0,0|2,0,1]=3 66 B5R0.1 CC=CC(=O)O MCULE-7970410217 [0,0,0,0,0,0|3,0,1]=4 67 B5R0.1 CCC=C(C)C MCULE-2405063894 [0,0,0,0,0,0|3,0,0]=3 68 B5R0.1 CCC=C(F)F MCULE-5180612061 [0,0,0,0,0,0|3,0,0]=3 69 B5R0.1 CCCB(O)O MCULE-4994980798 [0,0,0,0,0,0|4,0,0]=4 70 B5R0.1 CCCC(=N)N MCULE-5974105638 [0,0,0,0,0,0|1,0,0]=1 71 B5R0.1 CCCC(=N)N MCULE-9230704591 [0,0,0,0,0,0|1,0,0]=1 72 B5R0.1 CCCC(=O)C MCULE-7174095676 [0,0,0,0,0,0|3,0,0]=3 73 B5R0.1 CCCC(=O)Cl MCULE-3288175193 [0,0,0,0,0,0|3,0,0]=3 74 B5R0.1 CCCC(=O)N MCULE-2712067671 [0,0,0,0,0,0|2,0,0]=2 75 B5R0.1 CCCC(=O)O MCULE-4116382006 [0,0,0,0,0,0|3,0,0]=3 76 B5R0.1 CCCC(=O)[O-] MCULE-8706538802 [0,0,0,0,0,0|3,0,0]=3 77 B5R0.1 CCCC(=O)[O-] MCULE-9764702574 [0,0,0,0,0,0|3,0,0]=3 78 B5R0.1 CCCC(=S)N MCULE-3529335988 [0,0,0,0,0,0|2,0,0]=2 79 B5R0.1 CCCC(=S)O MCULE-3382199964 [0,0,0,0,0,0|3,0,0]=3 80 B5R0.1 CCCC(C)Br MCULE-3178073667 [0,0,0,0,0,0|3,0,1]=4 81 B5R0.1 CCCC(C)C MCULE-9604552974 [0,0,0,0,0,0|3,0,1]=4 82 B5R0.1 CCCC(C)N MCULE-2640298430 [0,0,0,0,0,0|2,0,1]=3 83 B5R0.1 CCCC(C)N MCULE-7225905167 [0,0,0,0,0,0|2,0,1]=3 84 B5R0.1 CCCC(C)O MCULE-8205906299 [0,0,0,0,0,0|3,0,1]=4 85 B5R0.1 CCCC(C)S MCULE-1649095713 [0,0,0,0,0,0|3,0,1]=4 86 B5R0.1 CCCC(O)Cl MCULE-3188577082 [0,0,0,0,0,0|3,0,1]=4 87 B5R0.1 CCCN(=O)=O MCULE-5615753372 [0,0,0,0,0,0|4,0,0]=4 88 B5R0.1 CCCN(C)C MCULE-8702643596 [0,0,0,0,0,0|4,0,0]=4 89 B5R0.1 CCCS(=O)[O-] MCULE-4306915022 [0,0,0,0,0,0|4,0,0]=4 90 B5R0.1 CCCS(=O)[O-] MCULE-9775151913 [0,0,0,0,0,0|4,0,0]=4 91 B5R0.1 CCC[C@@H](C)N MCULE-2394536966 [0,0,0,0,0,0|2,0,1]=3 92 B5R0.1 CCC[C@@H](C)N MCULE-3008898216 [0,0,0,0,0,0|2,0,1]=3 93 B5R0.1 CCC[C@@H](C)N MCULE-5656861143 [0,0,0,0,0,0|2,0,1]=3 94 B5R0.1 CCC[C@@H](C)N MCULE-8113159645 [0,0,0,0,0,0|2,0,1]=3 95 B5R0.1 CCC[C@@H](C)O MCULE-1540573875 [0,0,0,0,0,0|3,0,1]=4 96 B5R0.1 CCC[C@H](C)N MCULE-2068574015 [0,0,0,0,0,0|2,0,1]=3 97 B5R0.1 CCC[C@H](C)N MCULE-3439133019 [0,0,0,0,0,0|2,0,1]=3 98 B5R0.1 CCC[C@H](C)N MCULE-5495177657 [0,0,0,0,0,0|2,0,1]=3 99 B5R0.1 CCC[C@H](C)N MCULE-7962028651 [0,0,0,0,0,0|2,0,1]=3 100 B5R0.1 CCC[C@H](C)O MCULE-6976816276 [0,0,0,0,0,0|3,0,1]=4 101 B5R0.1 CCNC(=N)N MCULE-4729418155 [0,0,0,0,0,0|1,0,0]=1 102 B5R0.1 CCNC(=N)N MCULE-5123343071 [0,0,0,0,0,0|1,0,0]=1 103 B5R0.1 CCNC(=O)C MCULE-7543656350 [0,0,0,0,0,0|3,0,0]=3 104 B5R0.1 CCNC(=O)Cl MCULE-5831262934 [0,0,0,0,0,0|3,0,0]=3 105 B5R0.1 CCNC(=O)N MCULE-1913599861 [0,0,0,0,0,0|2,0,0]=2 106 B5R0.1 CCNC(=S)N MCULE-3849517146 [0,0,0,0,0,0|2,0,0]=2 107 B5R0.1 CCNC(C)C MCULE-8064118469 [0,0,0,0,0,0|3,0,1]=4 108 B5R0.1 CCOC(=N)C MCULE-3060267072 [0,0,0,0,0,0|1,1,0]=2 109 B5R0.1 CCOC(=N)C MCULE-3943786182 [0,0,0,0,0,0|1,1,0]=2 110 B5R0.1 CCOC(=N)N MCULE-3570858508 [0,0,0,0,0,0|0,1,0]=1 111 B5R0.1 CCOC(=N)N MCULE-6061063856 [0,0,0,0,0,0|0,1,0]=1 112 B5R0.1 CCOC(=O)C MCULE-6628539781 [0,0,0,0,0,0|2,1,0]=3 113 B5R0.1 CCOC(=O)Cl MCULE-4167904934 [0,0,0,0,0,0|2,1,0]=3 114 B5R0.1 CCOC(=O)N MCULE-1776877276 [0,0,0,0,0,0|1,1,0]=2 115 B5R0.1 CCOC(=S)C MCULE-3358897597 [0,0,0,0,0,0|2,1,0]=3 116 B5R0.1 CCOC(=S)N MCULE-4649285010 [0,0,0,0,0,0|1,1,0]=2 117 B5R0.1 CCOC(=S)[S-] MCULE-6247969567 [0,0,0,0,0,0|2,1,0]=3 118 B5R0.1 CCOC(=S)[S-] MCULE-6902289618 [0,0,0,0,0,0|2,1,0]=3 119 B5R0.1 CCOC(=S)[S-] MCULE-9105300958 [0,0,0,0,0,0|2,1,0]=3 120 B5R0.1 CCOC(C)C MCULE-1934548340 [0,0,0,0,0,0|2,1,1]=4 121 B5R0.1 CCOC(C)Cl MCULE-8486994638 [0,0,0,0,0,0|2,1,1]=4 122 B5R0.1 CCOP(Cl)Cl MCULE-1218379857 [0,0,0,0,0,0|3,1,0]=4 123 B5R0.1 CCSC(=N)N MCULE-2161729152 [0,0,0,0,0,0|0,0,0]=0 124 B5R0.1 CCSC(=N)N MCULE-2547252984 [0,0,0,0,0,0|0,0,0]=0 125 B5R0.1 CCSC(=O)C MCULE-8015440229 [0,0,0,0,0,0|2,0,0]=2 126 B5R0.1 CCSC(=S)C MCULE-1502137460 [0,0,0,0,0,0|2,0,0]=2 127 B5R0.1 CCSC(=S)[S-] MCULE-2573650807 [0,0,0,0,0,0|2,0,0]=2 128 B5R0.1 CCSC(=S)[S-] MCULE-6172057982 [0,0,0,0,0,0|2,0,0]=2 129 B5R0.1 CCSC(C)C MCULE-3738251898 [0,0,0,0,0,0|2,0,1]=3 130 B5R0.1 CC[NH2+]C(=N)N MCULE-1701852752 [0,0,0,0,0,0|1,0,0]=1 131 B5R0.1 CC[O+]=C(N)N MCULE-2484225131 [0,0,0,0,0,0|0,1,1]=2 132 B5R0.1 CC[O+]=C(N)N MCULE-6688774534 [0,0,0,0,0,0|0,1,1]=2 133 B5R0.1 CN(N)CCN MCULE-2782966878 [0,0,0,0,0,0|4,0,0]=4 134 B5R0.1 CNCC(=O)C MCULE-3695443024 [0,0,0,0,0,0|4,0,0]=4 135 B5R0.1 CNCC(=O)C MCULE-7402723072 [0,0,0,0,0,0|4,0,0]=4 136 B5R0.1 CNCC(=O)N MCULE-2328887394 [0,0,0,0,0,0|3,0,0]=3 137 B5R0.1 CNCC(=O)N MCULE-3031605853 [0,0,0,0,0,0|3,0,0]=3 138 B5R0.1 CNCC(=O)N MCULE-7300977677 [0,0,0,0,0,0|3,0,0]=3 139 B5R0.1 CNCC(=O)O MCULE-3448356048 [0,0,0,0,0,0|4,0,0]=4 140 B5R0.1 CNCC(=O)O MCULE-4484444573 [0,0,0,0,0,0|4,0,0]=4 141 B5R0.1 CNCC(=O)[O-] MCULE-7993701866 [0,0,0,0,0,0|4,0,0]=4 142 B5R0.1 CNN=C(C)C MCULE-6307375856 [0,0,0,0,0,0|4,0,0]=4 143 B5R0.1 CNNC(=S)N MCULE-5838387497 [0,0,0,0,0,0|3,0,0]=3 144 B5R0.1 CNOC(=O)C MCULE-1464426541 [0,0,0,0,0,0|3,1,0]=4 145 B5R0.1 CNOC(=O)C MCULE-2976282666 [0,0,0,0,0,0|3,1,0]=4 146 B5R0.1 COC=C(C)C MCULE-6348538911 [0,0,0,0,0,0|4,0,0]=4 147 B5R0.1 COCC(=N)N MCULE-4711728356 [0,0,0,0,0,0|2,0,0]=2 148 B5R0.1 COCC(=N)N MCULE-7163250467 [0,0,0,0,0,0|2,0,0]=2 149 B5R0.1 COCC(=O)C MCULE-7262197587 [0,0,0,0,0,0|4,0,0]=4 150 B5R0.1 COCC(=O)Cl MCULE-5449267495 [0,0,0,0,0,0|4,0,0]=4 151 B5R0.1 COCC(=O)N MCULE-6674958132 [0,0,0,0,0,0|3,0,0]=3 152 B5R0.1 COCC(=O)O MCULE-3945589151 [0,0,0,0,0,0|4,0,0]=4 153 B5R0.1 COCC(=S)N MCULE-2046809269 [0,0,0,0,0,0|3,0,0]=3 154 B5R0.1 COCC(C)N MCULE-1896873634 [0,0,0,0,0,0|3,0,1]=4 155 B5R0.1 COCC(C)N MCULE-2549420211 [0,0,0,0,0,0|3,0,1]=4 156 B5R0.1 COCC(C)N MCULE-3490410444 [0,0,0,0,0,0|3,0,1]=4 157 B5R0.1 COCC(C)N MCULE-7089888882 [0,0,0,0,0,0|3,0,1]=4 158 B5R0.1 COC[C@@H](C)N MCULE-1225912236 [0,0,0,0,0,0|3,0,1]=4 159 B5R0.1 COC[C@@H](C)N MCULE-2754628271 [0,0,0,0,0,0|3,0,1]=4 160 B5R0.1 COC[C@@H](C)N MCULE-4676764915 [0,0,0,0,0,0|3,0,1]=4 161 B5R0.1 COC[C@@H](C)N MCULE-8891950737 [0,0,0,0,0,0|3,0,1]=4 162 B5R0.1 COC[C@H](C)N MCULE-2465679418 [0,0,0,0,0,0|3,0,1]=4 163 B5R0.1 COC[C@H](C)N MCULE-2998593539 [0,0,0,0,0,0|3,0,1]=4 164 B5R0.1 COC[C@H](C)N MCULE-3161045661 [0,0,0,0,0,0|3,0,1]=4 165 B5R0.1 COC[C@H](C)N MCULE-9550165578 [0,0,0,0,0,0|3,0,1]=4 166 B5R0.1 CONC(=O)C MCULE-6601866630 [0,0,0,0,0,0|4,0,0]=4 167 B5R0.1 CONC(=O)N MCULE-3063713861 [0,0,0,0,0,0|3,0,0]=3 168 B5R0.1 CONC(=S)C MCULE-1876042939 [0,0,0,0,0,0|4,0,0]=4 169 B5R0.1 CSCC(=N)N MCULE-7800929509 [0,0,0,0,0,0|2,0,0]=2 170 B5R0.1 CSCC(=N)N MCULE-8499985777 [0,0,0,0,0,0|2,0,0]=2 171 B5R0.1 CSCC(=O)C MCULE-4131794172 [0,0,0,0,0,0|4,0,0]=4 172 B5R0.1 CSCC(=O)Cl MCULE-9750052685 [0,0,0,0,0,0|4,0,0]=4 173 B5R0.1 CSCC(=O)N MCULE-4865579476 [0,0,0,0,0,0|3,0,0]=3 174 B5R0.1 CSCC(=O)O MCULE-7003418159 [0,0,0,0,0,0|4,0,0]=4 175 B5R0.1 CSCC(=S)N MCULE-5029100305 [0,0,0,0,0,0|3,0,0]=3 176 B5R0.1 CSCC(C)N MCULE-7985946030 [0,0,0,0,0,0|3,0,1]=4 177 B5R0.1 CSNC(=O)C MCULE-7350061514 [0,0,0,0,0,0|4,0,0]=4 178 B5R0.1 C[C@@H](N)CCO MCULE-4224878672 [0,0,0,0,0,0|3,0,1]=4 179 B5R0.1 C[C@@H](N)CCO MCULE-5727539473 [0,0,0,0,0,0|3,0,1]=4 180 B5R0.1 C[C@H](N)CCO MCULE-1496375567 [0,0,0,0,0,0|3,0,1]=4 181 B5R0.1 C[C@H](N)CCO MCULE-4744824708 [0,0,0,0,0,0|3,0,1]=4 182 B5R0.1 C[C@H](N)CCO MCULE-7219173683 [0,0,0,0,0,0|3,0,1]=4 183 B5R0.1 C[C@H](N)CCO MCULE-9164942837 [0,0,0,0,0,0|3,0,1]=4 184 B5R0.1 ClC(=CCBr)Cl MCULE-5947456231 [0,0,0,0,0,0|4,0,0]=4 185 B5R0.1 ClCC=C(Cl)Cl MCULE-8294724084 [0,0,0,0,0,0|4,0,0]=4 186 B5R0.1 FC(=CCBr)F MCULE-1770710917 [0,0,0,0,0,0|4,0,0]=4 187 B5R0.1 N#CCC(=O)N MCULE-8538286230 [0,0,0,0,0,0|3,0,1]=4 188 B5R0.1 N#CCC(=S)N MCULE-6348216099 [0,0,0,0,0,0|3,0,1]=4 189 B5R0.1 N#CCC(=[Se])N MCULE-7730610345 [0,0,0,0,0,0|3,0,1]=4 190 B5R0.1 N#CN=C(N)N MCULE-3951314719 [0,0,0,0,0,0|2,0,2]=4 191 B5R0.1 N=C(N)CCCl MCULE-2314996365 [0,0,0,0,0,0|2,0,0]=2 192 B5R0.1 N=C(N)CCCl MCULE-3129838313 [0,0,0,0,0,0|2,0,0]=2 193 B5R0.1 N=C(N)CCO MCULE-4567824707 [0,0,0,0,0,0|2,0,0]=2 194 B5R0.1 N=C(N)CCO MCULE-7139693715 [0,0,0,0,0,0|2,0,0]=2 195 B5R0.1 N=C(N)NC=O MCULE-2702198735 [0,0,0,0,0,0|2,0,1]=3 196 B5R0.1 NC(=O)C=CCl MCULE-3595468874 [0,0,0,0,0,0|3,0,1]=4 197 B5R0.1 NC(=O)C=NO MCULE-6447662753 [0,0,0,0,0,0|4,0,0]=4 198 B5R0.1 NC(=O)CCBr MCULE-3930714776 [0,0,0,0,0,0|3,0,0]=3 199 B5R0.1 NC(=O)CCCl MCULE-8300320959 [0,0,0,0,0,0|3,0,0]=3 200 B5R0.1 NC(=O)CCO MCULE-4026170350 [0,0,0,0,0,0|3,0,0]=3 201 B5R0.1 NC(=O)CCS MCULE-7451827717 [0,0,0,0,0,0|3,0,0]=3 202 B5R0.1 NC(=O)NCO MCULE-7403641101 [0,0,0,0,0,0|3,0,0]=3 203 B5R0.1 NC(=O)NN=O MCULE-2820469915 [0,0,0,0,0,0|4,0,0]=4 204 B5R0.1 NCC=C(Cl)Cl MCULE-6555955942 [0,0,0,0,0,0|4,0,0]=4 205 B5R0.1 NCC=C(Cl)Cl MCULE-9019653665 [0,0,0,0,0,0|4,0,0]=4 206 B5R0.1 NCCC(=O)Cl MCULE-1298355499 [0,0,0,0,0,0|4,0,0]=4 207 B5R0.1 NCCC(=O)N MCULE-2899414135 [0,0,0,0,0,0|3,0,0]=3 208 B5R0.1 NCCC(=O)N MCULE-6993286668 [0,0,0,0,0,0|3,0,0]=3 209 B5R0.1 NCCC(=O)O MCULE-1344289084 [0,0,0,0,0,0|4,0,0]=4 210 B5R0.1 NCCC(=O)O MCULE-2298605337 [0,0,0,0,0,0|4,0,0]=4 211 B5R0.1 NCCC(=O)O MCULE-9375577631 [0,0,0,0,0,0|4,0,0]=4 212 B5R0.1 NCCC(=O)[O-] MCULE-2492250086 [0,0,0,0,0,0|4,0,0]=4 213 B5R0.1 NNCC(=O)N MCULE-2794619708 [0,0,0,0,0,0|4,0,0]=4 214 B5R0.1 NNCC(=O)N MCULE-6773156087 [0,0,0,0,0,0|4,0,0]=4 215 B5R0.1 O=C(Cl)CCBr MCULE-4659506608 [0,0,0,0,0,0|4,0,0]=4 216 B5R0.1 O=C(Cl)CCCl MCULE-3313924878 [0,0,0,0,0,0|4,0,0]=4 217 B5R0.1 O=C(Cl)CCF MCULE-3316397790 [0,0,0,0,0,0|4,0,0]=4 218 B5R0.1 O=C(Cl)OCCl MCULE-2130588147 [0,0,0,0,0,0|3,1,0]=4 219 B5R0.1 O=C(O)CCBr MCULE-2816055853 [0,0,0,0,0,0|4,0,0]=4 220 B5R0.1 O=C(O)CCCl MCULE-8511144183 [0,0,0,0,0,0|4,0,0]=4 221 B5R0.1 O=C(O)CCF MCULE-4382025684 [0,0,0,0,0,0|4,0,0]=4 222 B5R0.1 O=C(O)CCI MCULE-3371354708 [0,0,0,0,0,0|4,0,0]=4 223 B5R0.1 O=C(O)CCO MCULE-3428604829 [0,0,0,0,0,0|4,0,0]=4 224 B5R0.1 O=C(O)CCS MCULE-3211932163 [0,0,0,0,0,0|4,0,0]=4 225 B5R0.1 O=C([O-])CCO MCULE-4429611588 [0,0,0,0,0,0|4,0,0]=4 226 B5R0.1 OCC=C(Cl)Cl MCULE-6473037027 [0,0,0,0,0,0|4,0,0]=4 227 B5R0.1 [C@@H](C)(O)CCC MCULE-9717120293 [0,0,0,0,0,0|3,0,1]=4 228 B5R0.1 [C@H](C)(O)CCC MCULE-2689023898 [0,0,0,0,0,0|3,0,1]=4 229 B4R0.1 C#CC(=O)N MCULE-1832868146 [1,0,0,0,0,0|1,0,2]=4 230 B4R0.1 C(C)(N)CN MCULE-5877041140 [1,0,0,0,0,0|2,0,1]=4 231 B4R0.1 C(C)(N)CO MCULE-5844242932 [1,0,0,0,0,0|2,0,1]=4 232 B4R0.1 C/C(=N/O)/N MCULE-5595239824 [1,0,0,0,0,0|3,0,0]=4 233 B4R0.1 C/C(=N\O)/N MCULE-8004142092 [1,0,0,0,0,0|3,0,0]=4 234 B4R0.1 C/C=C(/C)\Cl MCULE-6841426098 [1,0,0,0,0,0|2,0,1]=4 235 B4R0.1 C/C=C(\C)/Br MCULE-3045523462 [1,0,0,0,0,0|2,0,1]=4 236 B4R0.1 C/C=C(\C)/Cl MCULE-4683862502 [1,0,0,0,0,0|2,0,1]=4 237 B4R0.1 C=C(Br)CBr MCULE-1222617820 [1,0,0,0,0,0|3,0,0]=4 238 B4R0.1 C=C(Br)CC MCULE-6271946451 [1,0,0,0,0,0|2,0,0]=3 239 B4R0.1 C=C(Br)CN MCULE-1170417597 [1,0,0,0,0,0|3,0,0]=4 240 B4R0.1 C=C(Br)CN MCULE-9190049156 [1,0,0,0,0,0|3,0,0]=4 241 B4R0.1 C=C(Br)CO MCULE-7763893047 [1,0,0,0,0,0|3,0,0]=4 242 B4R0.1 C=C(C)CBr MCULE-1361893863 [1,0,0,0,0,0|3,0,0]=4 243 B4R0.1 C=C(C)CCl MCULE-5586406339 [1,0,0,0,0,0|3,0,0]=4 244 B4R0.1 C=C(C)CI MCULE-3678124406 [1,0,0,0,0,0|3,0,0]=4 245 B4R0.1 C=C(C)CN MCULE-1033495975 [1,0,0,0,0,0|3,0,0]=4 246 B4R0.1 C=C(C)CN MCULE-8730181300 [1,0,0,0,0,0|3,0,0]=4 247 B4R0.1 C=C(C)CO MCULE-8641288398 [1,0,0,0,0,0|3,0,0]=4 248 B4R0.1 C=C(C)CS MCULE-5174170431 [1,0,0,0,0,0|3,0,0]=4 249 B4R0.1 C=C(C)OC MCULE-7344104255 [1,0,0,0,0,0|2,1,0]=4 250 B4R0.1 C=C(Cl)CBr MCULE-9398157024 [1,0,0,0,0,0|3,0,0]=4 251 B4R0.1 C=C(Cl)CCl MCULE-4210429118 [1,0,0,0,0,0|3,0,0]=4 252 B4R0.1 C=C(Cl)CI MCULE-1908004565 [1,0,0,0,0,0|3,0,0]=4 253 B4R0.1 C=C(Cl)CN MCULE-2159410121 [1,0,0,0,0,0|3,0,0]=4 254 B4R0.1 C=C(Cl)CN MCULE-3454023553 [1,0,0,0,0,0|3,0,0]=4 255 B4R0.1 C=C(Cl)CO MCULE-8813337564 [1,0,0,0,0,0|3,0,0]=4 256 B4R0.1 C=C(F)CBr MCULE-6528430141 [1,0,0,0,0,0|3,0,0]=4 257 B4R0.1 C=C(F)CCl MCULE-4499400030 [1,0,0,0,0,0|3,0,0]=4 258 B4R0.1 C=C(F)CN MCULE-1603171858 [1,0,0,0,0,0|3,0,0]=4 259 B4R0.1 C=C(F)CN MCULE-3878727292 [1,0,0,0,0,0|3,0,0]=4 260 B4R0.1 C=C(F)CO MCULE-2779963696 [1,0,0,0,0,0|3,0,0]=4 261 B4R0.1 C=C(I)CO MCULE-2533897125 [1,0,0,0,0,0|3,0,0]=4 262 B4R0.1 C=CC(=O)N MCULE-4309430654 [1,0,0,0,0,0|1,0,2]=4 263 B4R0.1 CC(=N)NN MCULE-2302306720 [1,0,0,0,0,0|3,0,0]=4 264 B4R0.1 CC(=N)NN MCULE-5362481009 [1,0,0,0,0,0|3,0,0]=4 265 B4R0.1 CC(=O)CBr MCULE-7812920675 [1,0,0,0,0,0|3,0,0]=4 266 B4R0.1 CC(=O)CCl MCULE-2501365933 [1,0,0,0,0,0|3,0,0]=4 267 B4R0.1 CC(=O)CF MCULE-7417279999 [1,0,0,0,0,0|3,0,0]=4 268 B4R0.1 CC(=O)CN MCULE-2715277783 [1,0,0,0,0,0|3,0,0]=4 269 B4R0.1 CC(=O)CN MCULE-6004541862 [1,0,0,0,0,0|3,0,0]=4 270 B4R0.1 CC(=O)CO MCULE-2989526028 [1,0,0,0,0,0|3,0,0]=4 271 B4R0.1 CC(=O)CS MCULE-9736174016 [1,0,0,0,0,0|3,0,0]=4 272 B4R0.1 CC(N)CBr MCULE-1783493149 [1,0,0,0,0,0|2,0,1]=4 273 B4R0.1 CC(N)CBr MCULE-2775398297 [1,0,0,0,0,0|2,0,1]=4 274 B4R0.1 CC(N)CCl MCULE-8652434595 [1,0,0,0,0,0|2,0,1]=4 275 B4R0.1 CC(N)CCl MCULE-9580466630 [1,0,0,0,0,0|2,0,1]=4 276 B4R0.1 CC(N)CF MCULE-1603143200 [1,0,0,0,0,0|2,0,1]=4 277 B4R0.1 CC(N)CF MCULE-3787216870 [1,0,0,0,0,0|2,0,1]=4 278 B4R0.1 CC(N)CF MCULE-4138869746 [1,0,0,0,0,0|2,0,1]=4 279 B4R0.1 CC(N)CF MCULE-8611760275 [1,0,0,0,0,0|2,0,1]=4 280 B4R0.1 CC(N)CN MCULE-2119036110 [1,0,0,0,0,0|2,0,1]=4 281 B4R0.1 CC(N)CN MCULE-6286216576 [1,0,0,0,0,0|2,0,1]=4 282 B4R0.1 CC(N)CN MCULE-9919433465 [1,0,0,0,0,0|2,0,1]=4 283 B4R0.1 CC(N)CO MCULE-1361379423 [1,0,0,0,0,0|2,0,1]=4 284 B4R0.1 CC(N)CO MCULE-2098440985 [1,0,0,0,0,0|2,0,1]=4 285 B4R0.1 CC(N)CS MCULE-1396853557 [1,0,0,0,0,0|2,0,1]=4 286 B4R0.1 CC(N)CS MCULE-4094732666 [1,0,0,0,0,0|2,0,1]=4 287 B4R0.1 CC=C(C)Br MCULE-1371905211 [1,0,0,0,0,0|2,0,1]=4 288 B4R0.1 CC=C(C)C MCULE-4230157245 [1,0,0,0,0,0|2,0,1]=4 289 B4R0.1 CC=C(C)Cl MCULE-3844314543 [1,0,0,0,0,0|2,0,1]=4 290 B4R0.1 CC=C(Cl)Cl MCULE-3741261135 [1,0,0,0,0,0|2,0,1]=4 291 B4R0.1 CC=C(F)F MCULE-5544510852 [1,0,0,0,0,0|2,0,1]=4 292 B4R0.1 CCB(O)O MCULE-1650960999 [1,0,0,0,0,0|3,0,0]=4 293 B4R0.1 CCC(=N)N MCULE-1856575742 [1,0,0,0,0,0|0,0,0]=1 294 B4R0.1 CCC(=N)N MCULE-2534386807 [1,0,0,0,0,0|0,0,0]=1 295 B4R0.1 CCC(=O)Br MCULE-7870678619 [1,0,0,0,0,0|2,0,0]=3 296 B4R0.1 CCC(=O)C MCULE-8276670748 [1,0,0,0,0,0|2,0,0]=3 297 B4R0.1 CCC(=O)Cl MCULE-3081874391 [1,0,0,0,0,0|2,0,0]=3 298 B4R0.1 CCC(=O)F MCULE-8783887670 [1,0,0,0,0,0|2,0,0]=3 299 B4R0.1 CCC(=O)N MCULE-3730796130 [1,0,0,0,0,0|1,0,0]=2 300 B4R0.1 CCC(=O)O MCULE-2199051150 [1,0,0,0,0,0|2,0,0]=3 301 B4R0.1 CCC(=O)O MCULE-9800054040 [1,0,0,0,0,0|2,0,0]=3 302 B4R0.1 CCC(=O)S MCULE-3392119766 [1,0,0,0,0,0|2,0,0]=3 303 B4R0.1 CCC(=O)[O-] MCULE-6321502767 [1,0,0,0,0,0|2,0,0]=3 304 B4R0.1 CCC(=S)N MCULE-3921479699 [1,0,0,0,0,0|1,0,0]=2 305 B4R0.1 CCC(C)Br MCULE-9661620259 [1,0,0,0,0,0|2,0,1]=4 306 B4R0.1 CCC(C)C MCULE-5376105936 [1,0,0,0,0,0|2,0,1]=4 307 B4R0.1 CCC(C)Cl MCULE-2954418486 [1,0,0,0,0,0|2,0,1]=4 308 B4R0.1 CCC(C)I MCULE-5239699587 [1,0,0,0,0,0|2,0,1]=4 309 B4R0.1 CCC(C)N MCULE-5041676035 [1,0,0,0,0,0|1,0,1]=3 310 B4R0.1 CCC(C)N MCULE-5835091553 [1,0,0,0,0,0|1,0,1]=3 311 B4R0.1 CCC(C)N MCULE-6631606230 [1,0,0,0,0,0|1,0,1]=3 312 B4R0.1 CCC(C)N MCULE-8165681721 [1,0,0,0,0,0|1,0,1]=3 313 B4R0.1 CCC(C)O MCULE-4099350806 [1,0,0,0,0,0|2,0,1]=4 314 B4R0.1 CCC(C)O MCULE-5005120003 [1,0,0,0,0,0|2,0,1]=4 315 B4R0.1 CCC(C)S MCULE-4988033753 [1,0,0,0,0,0|2,0,1]=4 316 B4R0.1 CCN(=O)=O MCULE-6603591614 [1,0,0,0,0,0|3,0,0]=4 317 B4R0.1 CCN(C)C MCULE-5825033552 [1,0,0,0,0,0|3,0,0]=4 318 B4R0.1 CCN(C)N MCULE-2279492356 [1,0,0,0,0,0|2,0,0]=3 319 B4R0.1 CCN(C)N MCULE-5660338703 [1,0,0,0,0,0|2,0,0]=3 320 B4R0.1 CCN(C)N MCULE-9839987578 [1,0,0,0,0,0|2,0,0]=3 321 B4R0.1 CCS(=O)C MCULE-4400935745 [1,0,0,0,0,0|3,0,0]=4 322 B4R0.1 CCS(=O)O MCULE-9872932319 [1,0,0,0,0,0|3,0,0]=4 323 B4R0.1 CCS(=O)[O-] MCULE-4386198822 [1,0,0,0,0,0|3,0,0]=4 324 B4R0.1 CC[C@@H](C)N MCULE-2017255826 [1,0,0,0,0,0|1,0,1]=3 325 B4R0.1 CC[C@@H](C)N MCULE-3555707512 [1,0,0,0,0,0|1,0,1]=3 326 B4R0.1 CC[C@@H](C)N MCULE-6783735598 [1,0,0,0,0,0|1,0,1]=3 327 B4R0.1 CC[C@@H](C)N MCULE-7004219201 [1,0,0,0,0,0|1,0,1]=3 328 B4R0.1 CC[C@@H](C)O MCULE-2661481448 [1,0,0,0,0,0|2,0,1]=4 329 B4R0.1 CC[C@@H](C)O MCULE-6785232833 [1,0,0,0,0,0|2,0,1]=4 330 B4R0.1 CC[C@H](C)N MCULE-2450201533 [1,0,0,0,0,0|1,0,1]=3 331 B4R0.1 CC[C@H](C)N MCULE-2998961427 [1,0,0,0,0,0|1,0,1]=3 332 B4R0.1 CC[C@H](C)N MCULE-6692190471 [1,0,0,0,0,0|1,0,1]=3 333 B4R0.1 CC[C@H](C)N MCULE-6904795465 [1,0,0,0,0,0|1,0,1]=3 334 B4R0.1 CC[C@H](C)O MCULE-3700911573 [1,0,0,0,0,0|2,0,1]=4 335 B4R0.1 CC[C@H](C)O MCULE-6063716138 [1,0,0,0,0,0|2,0,1]=4 336 B4R0.1 CNC(=N)N MCULE-1074994749 [1,0,0,0,0,0|1,0,0]=2 337 B4R0.1 CNC(=N)N MCULE-6149731862 [1,0,0,0,0,0|1,0,0]=2 338 B4R0.1 CNC(=N)N MCULE-7667364021 [1,0,0,0,0,0|1,0,0]=2 339 B4R0.1 CNC(=N)N MCULE-7854448694 [1,0,0,0,0,0|1,0,0]=2 340 B4R0.1 CNC(=O)C MCULE-2612997941 [1,0,0,0,0,0|3,0,0]=4 341 B4R0.1 CNC(=O)Cl MCULE-7743744606 [1,0,0,0,0,0|3,0,0]=4 342 B4R0.1 CNC(=O)N MCULE-6422331704 [1,0,0,0,0,0|2,0,0]=3 343 B4R0.1 CNC(=S)C MCULE-8699171591 [1,0,0,0,0,0|3,0,0]=4 344 B4R0.1 CNC(=S)N MCULE-7103250725 [1,0,0,0,0,0|2,0,0]=3 345 B4R0.1 CNC(=S)[S-] MCULE-4072880135 [1,0,0,0,0,0|3,0,0]=4 346 B4R0.1 CNC(=S)[S-] MCULE-4924829934 [1,0,0,0,0,0|3,0,0]=4 347 B4R0.1 COC(=N)C MCULE-2752794913 [1,0,0,0,0,0|1,1,0]=3 348 B4R0.1 COC(=N)C MCULE-2904991083 [1,0,0,0,0,0|1,1,0]=3 349 B4R0.1 COC(=N)N MCULE-1611076737 [1,0,0,0,0,0|0,1,0]=2 350 B4R0.1 COC(=N)N MCULE-4923904579 [1,0,0,0,0,0|0,1,0]=2 351 B4R0.1 COC(=N)N MCULE-6696789855 [1,0,0,0,0,0|0,1,0]=2 352 B4R0.1 COC(=N)N MCULE-9171600210 [1,0,0,0,0,0|0,1,0]=2 353 B4R0.1 COC(=O)C MCULE-7368066093 [1,0,0,0,0,0|2,1,0]=4 354 B4R0.1 COC(=O)Cl MCULE-8022274771 [1,0,0,0,0,0|2,1,0]=4 355 B4R0.1 COC(=O)N MCULE-4070607369 [1,0,0,0,0,0|1,1,0]=3 356 B4R0.1 COC(=S)N MCULE-9414558443 [1,0,0,0,0,0|1,1,0]=3 357 B4R0.1 COC(=S)[S-] MCULE-4829872223 [1,0,0,0,0,0|2,1,0]=4 358 B4R0.1 COC(=S)[S-] MCULE-6509496630 [1,0,0,0,0,0|2,1,0]=4 359 B4R0.1 CSC(=N)N MCULE-1471368384 [1,0,0,0,0,0|0,0,0]=1 360 B4R0.1 CSC(=N)N MCULE-3394284504 [1,0,0,0,0,0|0,0,0]=1 361 B4R0.1 CSC(=N)N MCULE-3752198299 [1,0,0,0,0,0|0,0,0]=1 362 B4R0.1 CSC(=N)N MCULE-5672446896 [1,0,0,0,0,0|0,0,0]=1 363 B4R0.1 CSC(=N)N MCULE-8409992127 [1,0,0,0,0,0|0,0,0]=1 364 B4R0.1 CSC(=O)C MCULE-7061634598 [1,0,0,0,0,0|2,0,0]=3 365 B4R0.1 CSC(=S)C MCULE-4836153374 [1,0,0,0,0,0|2,0,0]=3 366 B4R0.1 CSC(C)C MCULE-5932565699 [1,0,0,0,0,0|2,0,1]=4 367 B4R0.1 CSS(=O)C MCULE-6515592458 [1,0,0,0,0,0|3,0,0]=4 368 B4R0.1 CS[S+](C)C MCULE-1869043585 [1,0,0,0,0,0|3,0,0]=4 369 B4R0.1 CS[S+](C)C MCULE-4164877790 [1,0,0,0,0,0|3,0,0]=4 370 B4R0.1 C[C@@H](N)CF MCULE-2227343602 [1,0,0,0,0,0|2,0,1]=4 371 B4R0.1 C[C@@H](N)CF MCULE-2283243747 [1,0,0,0,0,0|2,0,1]=4 372 B4R0.1 C[C@@H](N)CF MCULE-6326763354 [1,0,0,0,0,0|2,0,1]=4 373 B4R0.1 C[C@@H](N)CF MCULE-6630824972 [1,0,0,0,0,0|2,0,1]=4 374 B4R0.1 C[C@@H](N)CN MCULE-5207840256 [1,0,0,0,0,0|2,0,1]=4 375 B4R0.1 C[C@@H](N)CN MCULE-5332214014 [1,0,0,0,0,0|2,0,1]=4 376 B4R0.1 C[C@@H](N)CN MCULE-7816211809 [1,0,0,0,0,0|2,0,1]=4 377 B4R0.1 C[C@@H](N)CN MCULE-7982492466 [1,0,0,0,0,0|2,0,1]=4 378 B4R0.1 C[C@@H](N)CO MCULE-5655560645 [1,0,0,0,0,0|2,0,1]=4 379 B4R0.1 C[C@@H](N)CO MCULE-8066658004 [1,0,0,0,0,0|2,0,1]=4 380 B4R0.1 C[C@H](N)CF MCULE-1053227516 [1,0,0,0,0,0|2,0,1]=4 381 B4R0.1 C[C@H](N)CF MCULE-4024916343 [1,0,0,0,0,0|2,0,1]=4 382 B4R0.1 C[C@H](N)CF MCULE-6312285034 [1,0,0,0,0,0|2,0,1]=4 383 B4R0.1 C[C@H](N)CF MCULE-7630744199 [1,0,0,0,0,0|2,0,1]=4 384 B4R0.1 C[C@H](N)CN MCULE-2048837128 [1,0,0,0,0,0|2,0,1]=4 385 B4R0.1 C[C@H](N)CN MCULE-4105152552 [1,0,0,0,0,0|2,0,1]=4 386 B4R0.1 C[C@H](N)CN MCULE-7106390536 [1,0,0,0,0,0|2,0,1]=4 387 B4R0.1 C[C@H](N)CN MCULE-9863306005 [1,0,0,0,0,0|2,0,1]=4 388 B4R0.1 C[C@H](N)CO MCULE-2471107013 [1,0,0,0,0,0|2,0,1]=4 389 B4R0.1 C[C@H](N)CO MCULE-5424195678 [1,0,0,0,0,0|2,0,1]=4 390 B4R0.1 N=C(N)CCl MCULE-1495198330 [1,0,0,0,0,0|1,0,0]=2 391 B4R0.1 N=C(N)CCl MCULE-2087468158 [1,0,0,0,0,0|1,0,0]=2 392 B4R0.1 N=C(N)CF MCULE-4489534021 [1,0,0,0,0,0|1,0,0]=2 393 B4R0.1 N=C(N)CF MCULE-8858704396 [1,0,0,0,0,0|1,0,0]=2 394 B4R0.1 N=C(N)CN MCULE-2761790792 [1,0,0,0,0,0|1,0,0]=2 395 B4R0.1 N=C(N)CN MCULE-5131841850 [1,0,0,0,0,0|1,0,0]=2 396 B4R0.1 N=C(N)CN MCULE-6618111844 [1,0,0,0,0,0|1,0,0]=2 397 B4R0.1 N=C(N)CO MCULE-5146395919 [1,0,0,0,0,0|1,0,0]=2 398 B4R0.1 N=C(N)CO MCULE-8814507460 [1,0,0,0,0,0|1,0,0]=2 399 B4R0.1 N=C(N)NN MCULE-1109353559 [1,0,0,0,0,0|2,0,0]=3 400 B4R0.1 N=C(N)NN MCULE-3637328913 [1,0,0,0,0,0|2,0,0]=3 401 B4R0.1 N=C(N)NN MCULE-4551185793 [1,0,0,0,0,0|2,0,0]=3 402 B4R0.1 N=C(N)NN MCULE-8251830457 [1,0,0,0,0,0|2,0,0]=3 403 B4R0.1 N=C(N)NO MCULE-2554837832 [1,0,0,0,0,0|2,0,0]=3 404 B4R0.1 N=C(N)NO MCULE-5458374815 [1,0,0,0,0,0|2,0,0]=3 405 B4R0.1 N=C(N)NO MCULE-5913043834 [1,0,0,0,0,0|2,0,0]=3 406 B4R0.1 NC(=NO)N MCULE-7650923271 [1,0,0,0,0,0|2,0,1]=4 407 B4R0.1 NC(=O)CBr MCULE-9306090536 [1,0,0,0,0,0|2,0,0]=3 408 B4R0.1 NC(=O)CCl MCULE-3241549842 [1,0,0,0,0,0|2,0,0]=3 409 B4R0.1 NC(=O)CF MCULE-3344212657 [1,0,0,0,0,0|2,0,0]=3 410 B4R0.1 NC(=O)CI MCULE-4217973413 [1,0,0,0,0,0|2,0,0]=3 411 B4R0.1 NC(=O)CO MCULE-2739878376 [1,0,0,0,0,0|2,0,0]=3 412 B4R0.1 NC(=O)CS MCULE-2639305532 [1,0,0,0,0,0|2,0,0]=3 413 B4R0.1 NC(=O)NO MCULE-9465284053 [1,0,0,0,0,0|3,0,0]=4 414 B4R0.1 NC(=S)CF MCULE-7873791134 [1,0,0,0,0,0|2,0,0]=3 415 B4R0.1 NC(=S)CO MCULE-9301705313 [1,0,0,0,0,0|2,0,0]=3 416 B4R0.1 NCC(=O)N MCULE-1048848056 [1,0,0,0,0,0|2,0,0]=3 417 B4R0.1 NCC(=O)N MCULE-2174395809 [1,0,0,0,0,0|2,0,0]=3 418 B4R0.1 NCC(=O)N MCULE-6113166250 [1,0,0,0,0,0|2,0,0]=3 419 B4R0.1 NCC(=O)O MCULE-2415764032 [1,0,0,0,0,0|3,0,0]=4 420 B4R0.1 NCC(=O)O MCULE-3643110755 [1,0,0,0,0,0|3,0,0]=4 421 B4R0.1 NCC(=O)O MCULE-4349255299 [1,0,0,0,0,0|3,0,0]=4 422 B4R0.1 NCC(=O)O MCULE-9146223615 [1,0,0,0,0,0|3,0,0]=4 423 B4R0.1 NCC(=O)O MCULE-9701991737 [1,0,0,0,0,0|3,0,0]=4 424 B4R0.1 NCC(=O)S MCULE-9837799864 [1,0,0,0,0,0|3,0,0]=4 425 B4R0.1 NCC(=O)[O-] MCULE-5975202378 [1,0,0,0,0,0|3,0,0]=4 426 B4R0.1 NN=C(N)N MCULE-4671721847 [1,0,0,0,0,0|2,0,1]=4 427 B4R0.1 NNC(=O)N MCULE-3392559370 [1,0,0,0,0,0|3,0,0]=4 428 B4R0.1 NNC(=O)N MCULE-8490374775 [1,0,0,0,0,0|3,0,0]=4 429 B4R0.1 NNC(=S)N MCULE-2970024636 [1,0,0,0,0,0|3,0,0]=4 430 B4R0.1 NNC(=S)N MCULE-6378380063 [1,0,0,0,0,0|3,0,0]=4 431 B4R0.1 O=C(Br)CBr MCULE-6031858200 [1,0,0,0,0,0|3,0,0]=4 432 B4R0.1 O=C(Cl)CBr MCULE-7684029984 [1,0,0,0,0,0|3,0,0]=4 433 B4R0.1 O=C(Cl)CCl MCULE-7076914635 [1,0,0,0,0,0|3,0,0]=4 434 B4R0.1 O=C(Cl)CF MCULE-7182087882 [1,0,0,0,0,0|3,0,0]=4 435 B4R0.1 O=C(Cl)CI MCULE-5719121455 [1,0,0,0,0,0|3,0,0]=4 436 B4R0.1 O=C(Cl)SCl MCULE-5008011265 [1,0,0,0,0,0|3,0,0]=4 437 B4R0.1 O=C(O)CBr MCULE-1503716137 [1,0,0,0,0,0|3,0,0]=4 438 B4R0.1 O=C(O)CCl MCULE-9228754880 [1,0,0,0,0,0|3,0,0]=4 439 B4R0.1 O=C(O)CF MCULE-6584094437 [1,0,0,0,0,0|3,0,0]=4 440 B4R0.1 O=C(O)CI MCULE-3146792857 [1,0,0,0,0,0|3,0,0]=4 441 B4R0.1 O=C(O)CO MCULE-9792551388 [1,0,0,0,0,0|3,0,0]=4 442 B4R0.1 O=C(O)CS MCULE-8097997001 [1,0,0,0,0,0|3,0,0]=4 443 B4R0.1 O=C([O-])CF MCULE-8428965857 [1,0,0,0,0,0|3,0,0]=4 444 B4R0.1 O=C([O-])CO MCULE-2780567509 [1,0,0,0,0,0|3,0,0]=4 445 B4R0.1 O=C([O-])CS MCULE-3314809220 [1,0,0,0,0,0|3,0,0]=4 446 B4R0.1 O=C([O-])CS MCULE-5989133747 [1,0,0,0,0,0|3,0,0]=4 447 B4R0.1 [NH3+]C(C)CC MCULE-3066898055 [1,0,0,0,0,0|1,0,2]=4 448 B4R0.1 [NH3+]NC(=N)N MCULE-6971198355 [1,0,0,0,0,0|2,0,0]=3 449 B4R0.2 BrC=CCBr MCULE-1480697982 [1,0,0,0,0,0|3,0,0]=4 450 B4R0.2 C#CCCC MCULE-1233806896 [1,0,0,0,0,0|2,0,1]=4 451 B4R0.2 C#COCC MCULE-1522528824 [1,0,0,0,0,0|1,1,1]=4 452 B4R0.2 C/C=C/C=O MCULE-9924705308 [1,0,0,0,0,0|2,0,1]=4 453 B4R0.2 C/C=C/CCl MCULE-9977493525 [1,0,0,0,0,0|3,0,0]=4 454 B4R0.2 C/C=C/CO MCULE-2383161163 [1,0,0,0,0,0|3,0,0]=4 455 B4R0.2 C/C=C/OC MCULE-3906920304 [1,0,0,0,0,0|3,0,0]=4 456 B4R0.2 C/C=C\CO MCULE-5924662327 [1,0,0,0,0,0|3,0,0]=4 457 B4R0.2 C=C=CCC MCULE-6123315571 [1,0,0,0,0,0|2,0,1]=4 458 B4R0.2 C=CC=CC MCULE-4452516287 [1,0,0,0,0,0|2,0,1]=4 459 B4R0.2 C=CCCBr MCULE-2890129103 [1,0,0,0,0,0|3,0,0]=4 460 B4R0.2 C=CCCC MCULE-8386546337 [1,0,0,0,0,0|2,0,0]=3 461 B4R0.2 C=CCCCl MCULE-5903789900 [1,0,0,0,0,0|3,0,0]=4 462 B4R0.2 C=CCCI MCULE-1055671394 [1,0,0,0,0,0|3,0,0]=4 463 B4R0.2 C=CCCN MCULE-2471716627 [1,0,0,0,0,0|3,0,0]=4 464 B4R0.2 C=CCCN MCULE-2881108697 [1,0,0,0,0,0|3,0,0]=4 465 B4R0.2 C=CCCO MCULE-4582400839 [1,0,0,0,0,0|3,0,0]=4 466 B4R0.2 C=CCNC MCULE-3335720336 [1,0,0,0,0,0|3,0,0]=4 467 B4R0.2 C=CCOC MCULE-3321225771 [1,0,0,0,0,0|3,0,0]=4 468 B4R0.2 C=CCSC MCULE-4452023915 [1,0,0,0,0,0|3,0,0]=4 469 B4R0.2 C=COCC MCULE-2569047033 [1,0,0,0,0,0|1,1,0]=3 470 B4R0.2 C=CSCC MCULE-8927374165 [1,0,0,0,0,0|1,0,0]=2 471 B4R0.2 CC#CC=O MCULE-9270622693 [1,0,0,0,0,0|2,0,1]=4 472 B4R0.2 CC#CCC MCULE-8848779220 [1,0,0,0,0,0|2,0,1]=4 473 B4R0.2 CC#CCN MCULE-7027146471 [1,0,0,0,0,0|1,0,2]=4 474 B4R0.2 CC#CCN MCULE-9570644542 [1,0,0,0,0,0|1,0,2]=4 475 B4R0.2 CC=CC=O MCULE-2497362981 [1,0,0,0,0,0|2,0,1]=4 476 B4R0.2 CC=CCBr MCULE-7855581866 [1,0,0,0,0,0|3,0,0]=4 477 B4R0.2 CC=CCC MCULE-5931905453 [1,0,0,0,0,0|2,0,0]=3 478 B4R0.2 CC=CCCl MCULE-3941962217 [1,0,0,0,0,0|3,0,0]=4 479 B4R0.2 CC=CCO MCULE-7490725844 [1,0,0,0,0,0|3,0,0]=4 480 B4R0.2 CC=COC MCULE-6712403535 [1,0,0,0,0,0|3,0,0]=4 481 B4R0.2 CC=CSC MCULE-5921906156 [1,0,0,0,0,0|3,0,0]=4 482 B4R0.2 CCC#CI MCULE-6466997582 [1,0,0,0,0,0|2,0,1]=4 483 B4R0.2 CCC=CBr MCULE-4471551501 [1,0,0,0,0,0|2,0,0]=3 484 B4R0.2 CCC=NO MCULE-9457280654 [1,0,0,0,0,0|3,0,0]=4 485 B4R0.2 CCCC#N MCULE-8571076087 [1,0,0,0,0,0|1,0,2]=4 486 B4R0.2 CCCC=O MCULE-8530391347 [1,0,0,0,0,0|2,0,0]=3 487 B4R0.2 CCCCBr MCULE-3390217131 [1,0,0,0,0,0|2,0,1]=4 488 B4R0.2 CCCCC MCULE-4643148765 [1,0,0,0,0,0|2,0,1]=4 489 B4R0.2 CCCCCl MCULE-5329900290 [1,0,0,0,0,0|2,0,1]=4 490 B4R0.2 CCCCF MCULE-7225760858 [1,0,0,0,0,0|2,0,1]=4 491 B4R0.2 CCCCI MCULE-1160974720 [1,0,0,0,0,0|2,0,1]=4 492 B4R0.2 CCCCN MCULE-1731874934 [1,0,0,0,0,0|1,0,1]=3 493 B4R0.2 CCCCN MCULE-4233278050 [1,0,0,0,0,0|1,0,1]=3 494 B4R0.2 CCCCN MCULE-5242069370 [1,0,0,0,0,0|1,0,1]=3 495 B4R0.2 CCCCN MCULE-7343835253 [1,0,0,0,0,0|1,0,1]=3 496 B4R0.2 CCCCO MCULE-1571156443 [1,0,0,0,0,0|2,0,1]=4 497 B4R0.2 CCCCS MCULE-9441213933 [1,0,0,0,0,0|2,0,1]=4 498 B4R0.2 CCCNC MCULE-2266616259 [1,0,0,0,0,0|3,0,0]=4 499 B4R0.2 CCCNC MCULE-7722796872 [1,0,0,0,0,0|3,0,0]=4 500 B4R0.2 CCCNN MCULE-4121438775 [1,0,0,0,0,0|2,0,0]=3 501 B4R0.2 CCCNN MCULE-5875592228 [1,0,0,0,0,0|2,0,0]=3 502 B4R0.2 CCCNN MCULE-9585694661 [1,0,0,0,0,0|2,0,0]=3 503 B4R0.2 CCCOC MCULE-5854067718 [1,0,0,0,0,0|3,0,0]=4 504 B4R0.2 CCCON MCULE-4800172637 [1,0,0,0,0,0|2,0,0]=3 505 B4R0.2 CCCON MCULE-7988781002 [1,0,0,0,0,0|2,0,0]=3 506 B4R0.2 CCCSC MCULE-8387041737 [1,0,0,0,0,0|3,0,0]=4 507 B4R0.2 CCN=C=O MCULE-6522145601 [1,0,0,0,0,0|2,0,1]=4 508 B4R0.2 CCN=C=S MCULE-9838756606 [1,0,0,0,0,0|2,0,1]=4 509 B4R0.2 CCNC=O MCULE-9309926274 [1,0,0,0,0,0|2,0,0]=3 510 B4R0.2 CCNCC MCULE-3395060353 [1,0,0,0,0,0|2,0,1]=4 511 B4R0.2 CCNCC MCULE-4374609736 [1,0,0,0,0,0|2,0,1]=4 512 B4R0.2 CCNCC MCULE-4555901025 [1,0,0,0,0,0|2,0,1]=4 513 B4R0.2 CCNCC MCULE-6895602113 [1,0,0,0,0,0|2,0,1]=4 514 B4R0.2 CCNOC MCULE-4797714235 [1,0,0,0,0,0|3,0,0]=4 515 B4R0.2 CCNOC MCULE-6486167423 [1,0,0,0,0,0|3,0,0]=4 516 B4R0.2 CCOC=N MCULE-5321655909 [1,0,0,0,0,0|0,1,0]=2 517 B4R0.2 CCOC=N MCULE-8158357614 [1,0,0,0,0,0|0,1,0]=2 518 B4R0.2 CCOC=O MCULE-6245072161 [1,0,0,0,0,0|1,1,0]=3 519 B4R0.2 CCOCBr MCULE-6644755987 [1,0,0,0,0,0|1,1,1]=4 520 B4R0.2 CCOCC MCULE-5665709021 [1,0,0,0,0,0|1,1,1]=4 521 B4R0.2 CCOCCl MCULE-5087992840 [1,0,0,0,0,0|1,1,1]=4 522 B4R0.2 CCONC MCULE-5446312516 [1,0,0,0,0,0|2,1,0]=4 523 B4R0.2 CCONC MCULE-7976027802 [1,0,0,0,0,0|2,1,0]=4 524 B4R0.2 CCSC#N MCULE-1270730084 [1,0,0,0,0,0|0,0,2]=3 525 B4R0.2 CCSCC MCULE-6480710239 [1,0,0,0,0,0|1,0,1]=3 526 B4R0.2 CCSCCl MCULE-3890542152 [1,0,0,0,0,0|1,0,1]=3 527 B4R0.2 CCSSC MCULE-9430585714 [1,0,0,0,0,0|2,0,0]=3 528 B4R0.2 CC[NH2+]CC MCULE-9899430356 [1,0,0,0,0,0|2,0,1]=4 529 B4R0.2 CNCCN MCULE-2881688448 [1,0,0,0,0,0|2,0,1]=4 530 B4R0.2 CNCCN MCULE-7199403269 [1,0,0,0,0,0|2,0,1]=4 531 B4R0.2 COCC=O MCULE-9427361019 [1,0,0,0,0,0|3,0,0]=4 532 B4R0.2 COCCN MCULE-5051556646 [1,0,0,0,0,0|2,0,1]=4 533 B4R0.2 COCCN MCULE-7519068386 [1,0,0,0,0,0|2,0,1]=4 534 B4R0.2 COCON MCULE-6032854331 [1,0,0,0,0,0|3,0,0]=4 535 B4R0.2 CSCCN MCULE-5168245255 [1,0,0,0,0,0|2,0,1]=4 536 B4R0.2 CSCCN MCULE-6275285732 [1,0,0,0,0,0|2,0,1]=4 537 B4R0.2 CSSSC MCULE-4175573612 [1,0,0,0,0,0|3,0,0]=4 538 B4R0.2 Cl/C=C/CCl MCULE-4516188972 [1,0,0,0,0,0|3,0,0]=4 539 B4R0.2 ClC/C=C/Br MCULE-1061414929 [1,0,0,0,0,0|3,0,0]=4 540 B4R0.2 ClC=CCCl MCULE-4655672652 [1,0,0,0,0,0|3,0,0]=4 541 B4R0.2 ClCSCCl MCULE-5228778525 [1,0,0,0,0,0|2,0,1]=4 542 B4R0.2 N#CSCBr MCULE-8731078262 [1,0,0,0,0,0|1,0,2]=4 543 B4R0.2 N#CSCCl MCULE-2916227294 [1,0,0,0,0,0|1,0,2]=4 544 B4R0.2 N/C=C/C=O MCULE-2444951625 [1,0,0,0,0,0|2,0,1]=4 545 B4R0.2 NC=CC=O MCULE-4070918342 [1,0,0,0,0,0|2,0,1]=4 546 B4R0.2 NCCCBr MCULE-5485748003 [1,0,0,0,0,0|2,0,1]=4 547 B4R0.2 NCCCBr MCULE-7072709972 [1,0,0,0,0,0|2,0,1]=4 548 B4R0.2 NCCCCl MCULE-1324157004 [1,0,0,0,0,0|2,0,1]=4 549 B4R0.2 NCCCCl MCULE-3667248190 [1,0,0,0,0,0|2,0,1]=4 550 B4R0.2 NCCCF MCULE-5215746973 [1,0,0,0,0,0|2,0,1]=4 551 B4R0.2 NCCCF MCULE-8077133369 [1,0,0,0,0,0|2,0,1]=4 552 B4R0.2 NCCCI MCULE-3534892097 [1,0,0,0,0,0|2,0,1]=4 553 B4R0.2 NCCCI MCULE-8010453546 [1,0,0,0,0,0|2,0,1]=4 554 B4R0.2 NCCCN MCULE-4293255820 [1,0,0,0,0,0|2,0,1]=4 555 B4R0.2 NCCCN MCULE-5041378433 [1,0,0,0,0,0|2,0,1]=4 556 B4R0.2 NCCCN MCULE-6944452060 [1,0,0,0,0,0|2,0,1]=4 557 B4R0.2 NCCCN MCULE-7375662153 [1,0,0,0,0,0|2,0,1]=4 558 B4R0.2 NCCCN MCULE-8277465929 [1,0,0,0,0,0|2,0,1]=4 559 B4R0.2 NCCCN MCULE-9929373126 [1,0,0,0,0,0|2,0,1]=4 560 B4R0.2 NCCCO MCULE-2851278356 [1,0,0,0,0,0|2,0,1]=4 561 B4R0.2 NCCCO MCULE-9698089092 [1,0,0,0,0,0|2,0,1]=4 562 B4R0.2 NCCCS MCULE-3994478020 [1,0,0,0,0,0|2,0,1]=4 563 B4R0.2 NCCCS MCULE-7730973866 [1,0,0,0,0,0|2,0,1]=4 564 B4R0.2 NCCON MCULE-3613980902 [1,0,0,0,0,0|3,0,0]=4 565 B4R0.2 NCCON MCULE-7030217952 [1,0,0,0,0,0|3,0,0]=4 566 B4R0.2 NCCON MCULE-8959912781 [1,0,0,0,0,0|3,0,0]=4 567 B4R0.2 NNCCF MCULE-2712460031 [1,0,0,0,0,0|3,0,0]=4 568 B4R0.2 NNCCF MCULE-8505927457 [1,0,0,0,0,0|3,0,0]=4 569 B4R0.2 NNCCO MCULE-1290652744 [1,0,0,0,0,0|3,0,0]=4 570 B4R0.2 NOCCBr MCULE-2796346082 [1,0,0,0,0,0|3,0,0]=4 571 B4R0.2 NOCCBr MCULE-5636354898 [1,0,0,0,0,0|3,0,0]=4 572 B4R0.2 NOCCCl MCULE-5981688956 [1,0,0,0,0,0|3,0,0]=4 573 B4R0.2 NOCCF MCULE-1813481600 [1,0,0,0,0,0|3,0,0]=4 574 B4R0.2 NOCCF MCULE-2993254805 [1,0,0,0,0,0|3,0,0]=4 575 B4R0.2 NOCCO MCULE-2545004367 [1,0,0,0,0,0|3,0,0]=4 576 B4R0.2 O=CCCBr MCULE-4107157458 [1,0,0,0,0,0|3,0,0]=4 577 B4R0.2 O=CCCCl MCULE-5863929313 [1,0,0,0,0,0|3,0,0]=4 578 B4R0.2 O=CCCI MCULE-9771140462 [1,0,0,0,0,0|3,0,0]=4 579 B4R0.2 O=CCCO MCULE-1685289763 [1,0,0,0,0,0|3,0,0]=4 580 B4R0.2 OC=CCCl MCULE-4750991393 [1,0,0,0,0,0|3,0,0]=4 581 B4R0.2 OCC=CBr MCULE-4636104289 [1,0,0,0,0,0|3,0,0]=4 582 B4R0.2 OCC=CCl MCULE-2110127594 [1,0,0,0,0,0|3,0,0]=4 583 B4R0.2 [NH2+](CC)CC MCULE-1192179232 [1,0,0,0,0,0|2,0,1]=4 584 B6R0.1 C#CC(=O)CCC MCULE-8990254228 [0,1,0,0,0,0|3,0,0]=4 585 B6R0.1 C#CC(=O)NCC MCULE-3703208943 [0,1,0,0,0,0|3,0,0]=4 586 B6R0.1 C#CC(=O)OCC MCULE-3783424133 [0,1,0,0,0,0|2,1,0]=4 587 B6R0.1 C#CC(N)CCC MCULE-1649795667 [0,1,0,0,0,0|2,0,1]=4 588 B6R0.1 C#CC(N)CCC MCULE-4074347601 [0,1,0,0,0,0|2,0,1]=4 589 B6R0.1 C=CC(=O)CCC MCULE-9373104880 [0,1,0,0,0,0|3,0,0]=4 590 B6R0.1 C=CC(=O)NCC MCULE-3515057147 [0,1,0,0,0,0|3,0,0]=4 591 B6R0.1 C=CC(=O)OCC MCULE-9281713240 [0,1,0,0,0,0|2,1,0]=4 592 B6R0.1 C=CC/C(=N/O)/N MCULE-6681864760 [0,1,0,0,0,0|1,0,2]=4 593 B6R0.1 CC#CC(=O)NN MCULE-2475728417 [0,1,0,0,0,0|2,0,1]=4 594 B6R0.1 CC/C=C(\C)/C=O MCULE-6692882718 [0,1,0,0,0,0|3,0,0]=4 595 B6R0.1 CCC/C(=N/O)/N MCULE-1101103373 [0,1,0,0,0,0|1,0,0]=2 596 B6R0.1 CCC/C(=N/O)/N MCULE-2970638438 [0,1,0,0,0,0|1,0,0]=2 597 B6R0.1 CCC=C(C)C=O MCULE-1636090264 [0,1,0,0,0,0|3,0,0]=4 598 B6R0.1 CCCC(=NO)C MCULE-6437787263 [0,1,0,0,0,0|2,0,0]=3 599 B6R0.1 CCCC(=O)CBr MCULE-6276592955 [0,1,0,0,0,0|3,0,0]=4 600 B6R0.1 CCCC(=O)CC MCULE-7121523805 [0,1,0,0,0,0|3,0,0]=4 601 B6R0.1 CCCC(=O)CCl MCULE-3021809695 [0,1,0,0,0,0|3,0,0]=4 602 B6R0.1 CCCC(=O)CN MCULE-4663263123 [0,1,0,0,0,0|2,0,0]=3 603 B6R0.1 CCCC(=O)CN MCULE-6326368932 [0,1,0,0,0,0|2,0,0]=3 604 B6R0.1 CCCC(=O)CO MCULE-6518249412 [0,1,0,0,0,0|3,0,0]=4 605 B6R0.1 CCCC(=O)NC MCULE-5770149071 [0,1,0,0,0,0|2,0,0]=3 606 B6R0.1 CCCC(=O)NN MCULE-3660167295 [0,1,0,0,0,0|2,0,0]=3 607 B6R0.1 CCCC(=O)NO MCULE-8710375368 [0,1,0,0,0,0|2,0,0]=3 608 B6R0.1 CCCC(=O)OC MCULE-1092030267 [0,1,0,0,0,0|3,0,0]=4 609 B6R0.1 CCCC(=O)SC MCULE-1490654381 [0,1,0,0,0,0|3,0,0]=4 610 B6R0.1 CCCC(=S)OC MCULE-8125476093 [0,1,0,0,0,0|3,0,0]=4 611 B6R0.1 CCCC(C)CN MCULE-9552289739 [0,1,0,0,0,0|2,0,1]=4 612 B6R0.1 CCCC(C)NC MCULE-1560121168 [0,1,0,0,0,0|2,0,1]=4 613 B6R0.1 CCCC(C)NC MCULE-2169396338 [0,1,0,0,0,0|2,0,1]=4 614 B6R0.1 CCCC(N)C#N MCULE-6830545935 [0,1,0,0,0,0|1,0,2]=4 615 B6R0.1 CCCC(N)C#N MCULE-9818121096 [0,1,0,0,0,0|1,0,2]=4 616 B6R0.1 CCCC(N)CC MCULE-5349906741 [0,1,0,0,0,0|2,0,1]=4 617 B6R0.1 CCCC(N)CC MCULE-7172418373 [0,1,0,0,0,0|2,0,1]=4 618 B6R0.1 CCCC(N)CN MCULE-8606218569 [0,1,0,0,0,0|1,0,2]=4 619 B6R0.1 CCCC(N)CO MCULE-3404967504 [0,1,0,0,0,0|2,0,1]=4 620 B6R0.1 CCCC(N)CO MCULE-3802448518 [0,1,0,0,0,0|2,0,1]=4 621 B6R0.1 CCCC(N)CO MCULE-4259078445 [0,1,0,0,0,0|2,0,1]=4 622 B6R0.1 CCCC(N)CO MCULE-6425025734 [0,1,0,0,0,0|2,0,1]=4 623 B6R0.1 CCCC(O)CN MCULE-9402934997 [0,1,0,0,0,0|2,0,1]=4 624 B6R0.1 CCC[C@@H](N)CF MCULE-4702552251 [0,1,0,0,0,0|2,0,1]=4 625 B6R0.1 CCC[C@@H](N)CF MCULE-8118043624 [0,1,0,0,0,0|2,0,1]=4 626 B6R0.1 CCC[C@@H](N)CO MCULE-3684308356 [0,1,0,0,0,0|2,0,1]=4 627 B6R0.1 CCC[C@@H](N)CO MCULE-4573401915 [0,1,0,0,0,0|2,0,1]=4 628 B6R0.1 CCC[C@@H](N)CO MCULE-5502830670 [0,1,0,0,0,0|2,0,1]=4 629 B6R0.1 CCC[C@H](N)CF MCULE-7192744944 [0,1,0,0,0,0|2,0,1]=4 630 B6R0.1 CCC[C@H](N)CF MCULE-7441387613 [0,1,0,0,0,0|2,0,1]=4 631 B6R0.1 CCC[C@H](N)CO MCULE-4293730307 [0,1,0,0,0,0|2,0,1]=4 632 B6R0.1 CCC[C@H](N)CO MCULE-5185063577 [0,1,0,0,0,0|2,0,1]=4 633 B6R0.1 CCC[C@H](N)CO MCULE-5836622975 [0,1,0,0,0,0|2,0,1]=4 634 B6R0.1 CCC[C@H](N)CO MCULE-7340014196 [0,1,0,0,0,0|2,0,1]=4 635 B6R0.1 CCNC(=O)CBr MCULE-5393521747 [0,1,0,0,0,0|3,0,0]=4 636 B6R0.1 CCNC(=O)CC MCULE-8820594723 [0,1,0,0,0,0|3,0,0]=4 637 B6R0.1 CCNC(=O)CCl MCULE-7288703153 [0,1,0,0,0,0|3,0,0]=4 638 B6R0.1 CCNC(=O)CN MCULE-1913543460 [0,1,0,0,0,0|2,0,0]=3 639 B6R0.1 CCNC(=O)CN MCULE-5473845751 [0,1,0,0,0,0|2,0,0]=3 640 B6R0.1 CCNC(=O)CO MCULE-1386307800 [0,1,0,0,0,0|3,0,0]=4 641 B6R0.1 CCNC(=O)NC MCULE-7197803115 [0,1,0,0,0,0|2,0,0]=3 642 B6R0.1 CCNC(=O)NN MCULE-9055200574 [0,1,0,0,0,0|2,0,0]=3 643 B6R0.1 CCNC(=O)NO MCULE-3264850022 [0,1,0,0,0,0|2,0,0]=3 644 B6R0.1 CCNC(=O)OC MCULE-7110705188 [0,1,0,0,0,0|3,0,0]=4 645 B6R0.1 CCNC(=S)NN MCULE-9599210899 [0,1,0,0,0,0|2,0,0]=3 646 B6R0.1 CCO/C(=N/O)/C MCULE-2336241507 [0,1,0,0,0,0|1,1,0]=3 647 B6R0.1 CCO/C(=N\O)/C MCULE-7101376522 [0,1,0,0,0,0|1,1,0]=3 648 B6R0.1 CCOC(=N)CC MCULE-4645506860 [0,1,0,0,0,0|1,1,0]=3 649 B6R0.1 CCOC(=N)CC MCULE-9526837631 [0,1,0,0,0,0|1,1,0]=3 650 B6R0.1 CCOC(=N)CCl MCULE-6291047852 [0,1,0,0,0,0|1,1,0]=3 651 B6R0.1 CCOC(=N)CCl MCULE-9207251975 [0,1,0,0,0,0|1,1,0]=3 652 B6R0.1 CCOC(=NO)C MCULE-6964305821 [0,1,0,0,0,0|1,1,0]=3 653 B6R0.1 CCOC(=O)C#N MCULE-4506452376 [0,1,0,0,0,0|1,1,1]=4 654 B6R0.1 CCOC(=O)C=O MCULE-3433596669 [0,1,0,0,0,0|2,1,0]=4 655 B6R0.1 CCOC(=O)CBr MCULE-1369687761 [0,1,0,0,0,0|2,1,0]=4 656 B6R0.1 CCOC(=O)CC MCULE-1639864693 [0,1,0,0,0,0|2,1,0]=4 657 B6R0.1 CCOC(=O)CCl MCULE-2200524105 [0,1,0,0,0,0|2,1,0]=4 658 B6R0.1 CCOC(=O)CF MCULE-1926097423 [0,1,0,0,0,0|2,1,0]=4 659 B6R0.1 CCOC(=O)CI MCULE-9898762324 [0,1,0,0,0,0|2,1,0]=4 660 B6R0.1 CCOC(=O)CN MCULE-2185173056 [0,1,0,0,0,0|1,1,0]=3 661 B6R0.1 CCOC(=O)CN MCULE-2628607025 [0,1,0,0,0,0|1,1,0]=3 662 B6R0.1 CCOC(=O)CO MCULE-8121340151 [0,1,0,0,0,0|2,1,0]=4 663 B6R0.1 CCOC(=O)CS MCULE-3354026239 [0,1,0,0,0,0|2,1,0]=4 664 B6R0.1 CCOC(=O)NC MCULE-5506841198 [0,1,0,0,0,0|1,1,0]=3 665 B6R0.1 CCOC(=O)NN MCULE-9872948119 [0,1,0,0,0,0|1,1,0]=3 666 B6R0.1 CCOC(=O)NO MCULE-4701193610 [0,1,0,0,0,0|1,1,0]=3 667 B6R0.1 CCOC(=O)OC MCULE-1185162684 [0,1,0,0,0,0|2,1,0]=4 668 B6R0.1 CCOC(=S)SC MCULE-6959447720 [0,1,0,0,0,0|2,1,0]=4 669 B6R0.1 CCOC(C)CN MCULE-2322112215 [0,1,0,0,0,0|1,1,1]=4 670 B6R0.1 CCOC(C)CN MCULE-7307949125 [0,1,0,0,0,0|1,1,1]=4 671 B6R0.1 CCSC(=O)CC MCULE-6361738004 [0,1,0,0,0,0|2,0,0]=3 672 B6R0.1 CCSC(C)C#N MCULE-1159924867 [0,1,0,0,0,0|1,0,2]=4 673 B6R0.1 CNC(=N)NC#N MCULE-3777179961 [0,1,0,0,0,0|2,0,1]=4 674 B6R0.1 CNC(=O)CCBr MCULE-9239224841 [0,1,0,0,0,0|3,0,0]=4 675 B6R0.1 CNC(=O)CCCl MCULE-7130866366 [0,1,0,0,0,0|3,0,0]=4 676 B6R0.1 CNC(=O)CCN MCULE-1374127264 [0,1,0,0,0,0|3,0,0]=4 677 B6R0.1 CNC(=O)CCN MCULE-3948893656 [0,1,0,0,0,0|3,0,0]=4 678 B6R0.1 CNC(=O)CCO MCULE-3222339741 [0,1,0,0,0,0|3,0,0]=4 679 B6R0.1 CNC(=O)CCS MCULE-2385806944 [0,1,0,0,0,0|3,0,0]=4 680 B6R0.1 CNC(=S)NCO MCULE-2829573844 [0,1,0,0,0,0|3,0,0]=4 681 B6R0.1 CNCC(=O)NC MCULE-4579550577 [0,1,0,0,0,0|3,0,0]=4 682 B6R0.1 CNCC(=O)NC MCULE-7833395637 [0,1,0,0,0,0|3,0,0]=4 683 B6R0.1 CNCC(=O)NN MCULE-8639164023 [0,1,0,0,0,0|3,0,0]=4 684 B6R0.1 COC(=N)CCCl MCULE-1997539408 [0,1,0,0,0,0|3,0,0]=4 685 B6R0.1 COC(=N)CCCl MCULE-2235564076 [0,1,0,0,0,0|3,0,0]=4 686 B6R0.1 COC(=N)CCO MCULE-1904978557 [0,1,0,0,0,0|3,0,0]=4 687 B6R0.1 COC(=N)CCO MCULE-8146089973 [0,1,0,0,0,0|3,0,0]=4 688 B6R0.1 COC/C(=N/O)/N MCULE-8214035702 [0,1,0,0,0,0|2,0,0]=3 689 B6R0.1 COCC(=N)OC MCULE-2350779439 [0,1,0,0,0,0|3,0,0]=4 690 B6R0.1 COCC(=N)OC MCULE-7810421458 [0,1,0,0,0,0|3,0,0]=4 691 B6R0.1 COCC(=O)NN MCULE-4127487886 [0,1,0,0,0,0|3,0,0]=4 692 B6R0.1 CSC/C(=N/O)/N MCULE-9599823795 [0,1,0,0,0,0|2,0,0]=3 693 B6R0.1 CSCC(=O)NN MCULE-8151954663 [0,1,0,0,0,0|3,0,0]=4 694 B6R0.1 N#CC/C(=N\O)/N MCULE-7517473784 [0,1,0,0,0,0|2,0,1]=4 695 B6R0.1 N/C(=N\O)/CCO MCULE-1794050637 [0,1,0,0,0,0|2,0,0]=3 696 B6R0.1 N=C(CCCl)NO MCULE-1713601074 [0,1,0,0,0,0|2,0,0]=3 697 B6R0.1 NCC/C(=N/O)/N MCULE-6349866821 [0,1,0,0,0,0|2,0,0]=3 698 B6R0.1 NCCC(=O)CN MCULE-3906468943 [0,1,0,0,0,0|3,0,0]=4 699 B6R0.1 NCCC(=O)CN MCULE-9593243702 [0,1,0,0,0,0|3,0,0]=4 700 B6R0.1 NNC(=O)CCO MCULE-6184351353 [0,1,0,0,0,0|3,0,0]=4 701 B6R0.1 NNC(=O)CCS MCULE-9322963076 [0,1,0,0,0,0|3,0,0]=4 702 B6R0.1 O=C(CCCl)NO MCULE-5569658108 [0,1,0,0,0,0|3,0,0]=4 703 B6R0.2 C/C(=C\C(=S)N)/N MCULE-9311101194 [0,1,0,0,0,0|2,0,1]=4 704 B6R0.2 C=C(C)CC(C)C MCULE-5553118538 [0,1,0,0,0,0|3,0,0]=4 705 B6R0.2 C=C(C)C[C@@H](C)O MCULE-8518319636 [0,1,0,0,0,0|3,0,0]=4 706 B6R0.2 C=C(C)C[C@H](C)O MCULE-7139115019 [0,1,0,0,0,0|3,0,0]=4 707 B6R0.2 CC(=CC(=O)N)C MCULE-6264319579 [0,1,0,0,0,0|2,0,1]=4 708 B6R0.2 CC(=CC(=S)N)N MCULE-2731073832 [0,1,0,0,0,0|2,0,1]=4 709 B6R0.2 CC(=CC(C)C)C MCULE-5460531772 [0,1,0,0,0,0|3,0,0]=4 710 B6R0.2 CC(=CC(C)O)C MCULE-5270694894 [0,1,0,0,0,0|3,0,0]=4 711 B6R0.2 CC(=N)CC(=O)C MCULE-4678643052 [0,1,0,0,0,0|2,0,1]=4 712 B6R0.2 CC(=NC(C)C)C MCULE-4174313497 [0,1,0,0,0,0|3,0,0]=4 713 B6R0.2 CC(=O)/C=C(/C)\N MCULE-1235186190 [0,1,0,0,0,0|2,0,1]=4 714 B6R0.2 CC(=O)/C=C(\C)/N MCULE-6412393370 [0,1,0,0,0,0|2,0,1]=4 715 B6R0.2 CC(=O)C=C(C)N MCULE-2247743178 [0,1,0,0,0,0|2,0,1]=4 716 B6R0.2 CC(=O)CC(=O)N MCULE-1618058771 [0,1,0,0,0,0|2,0,1]=4 717 B6R0.2 CC(=O)CC(C)C MCULE-2172909634 [0,1,0,0,0,0|3,0,0]=4 718 B6R0.2 CC(=O)CC(C)N MCULE-1028280795 [0,1,0,0,0,0|3,0,0]=4 719 B6R0.2 CC(=O)CC(C)N MCULE-7911343070 [0,1,0,0,0,0|3,0,0]=4 720 B6R0.2 CC(=O)CC(C)O MCULE-5175367575 [0,1,0,0,0,0|3,0,0]=4 721 B6R0.2 CC(=O)C[C@@H](C)N MCULE-1260669737 [0,1,0,0,0,0|3,0,0]=4 722 B6R0.2 CC(=O)C[C@@H](C)N MCULE-6556661125 [0,1,0,0,0,0|3,0,0]=4 723 B6R0.2 CC(=O)NC(=N)N MCULE-9300028018 [0,1,0,0,0,0|1,0,1]=3 724 B6R0.2 CC(=O)NC(=O)N MCULE-8999775359 [0,1,0,0,0,0|2,0,1]=4 725 B6R0.2 CC(=O)NC(=S)N MCULE-8448117000 [0,1,0,0,0,0|2,0,1]=4 726 B6R0.2 CC(=O)NC(C)C MCULE-2095134698 [0,1,0,0,0,0|3,0,0]=4 727 B6R0.2 CC(=O)OC(C)Br MCULE-6494616843 [0,1,0,0,0,0|2,1,0]=4 728 B6R0.2 CC(=O)OC(C)C MCULE-6152257819 [0,1,0,0,0,0|2,1,0]=4 729 B6R0.2 CC(=O)OC(C)Cl MCULE-3738479003 [0,1,0,0,0,0|2,1,0]=4 730 B6R0.2 CC(=O)SC(=O)C MCULE-5749449964 [0,1,0,0,0,0|2,0,1]=4 731 B6R0.2 CC(Br)CC(=O)O MCULE-3353526571 [0,1,0,0,0,0|3,0,0]=4 732 B6R0.2 CC(Br)CC(=S)N MCULE-3013222937 [0,1,0,0,0,0|2,0,0]=3 733 B6R0.2 CC(C)CC(=N)N MCULE-1578322850 [0,1,0,0,0,0|1,0,0]=2 734 B6R0.2 CC(C)CC(=N)N MCULE-1643115412 [0,1,0,0,0,0|1,0,0]=2 735 B6R0.2 CC(C)CC(=N)N MCULE-9650824038 [0,1,0,0,0,0|1,0,0]=2 736 B6R0.2 CC(C)CC(=O)Cl MCULE-8821231794 [0,1,0,0,0,0|3,0,0]=4 737 B6R0.2 CC(C)CC(=O)N MCULE-7790849976 [0,1,0,0,0,0|2,0,0]=3 738 B6R0.2 CC(C)CC(=O)O MCULE-5805071360 [0,1,0,0,0,0|3,0,0]=4 739 B6R0.2 CC(C)CC(=S)N MCULE-7704222819 [0,1,0,0,0,0|2,0,0]=3 740 B6R0.2 CC(C)CC(C)N MCULE-1144229692 [0,1,0,0,0,0|2,0,1]=4 741 B6R0.2 CC(C)CC(C)N MCULE-5992377656 [0,1,0,0,0,0|2,0,1]=4 742 B6R0.2 CC(C)C[C@@H](C)N MCULE-5902933285 [0,1,0,0,0,0|2,0,1]=4 743 B6R0.2 CC(C)C[C@@H](C)N MCULE-7208228535 [0,1,0,0,0,0|2,0,1]=4 744 B6R0.2 CC(C)NC(=N)N MCULE-4913172476 [0,1,0,0,0,0|1,0,0]=2 745 B6R0.2 CC(C)NC(=N)N MCULE-4959976198 [0,1,0,0,0,0|1,0,0]=2 746 B6R0.2 CC(C)NC(=N)N MCULE-5602505573 [0,1,0,0,0,0|1,0,0]=2 747 B6R0.2 CC(C)NC(=N)N MCULE-8448870710 [0,1,0,0,0,0|1,0,0]=2 748 B6R0.2 CC(C)NC(=O)N MCULE-2725741897 [0,1,0,0,0,0|2,0,0]=3 749 B6R0.2 CC(C)NC(=S)N MCULE-9243939729 [0,1,0,0,0,0|2,0,0]=3 750 B6R0.2 CC(C)OC(=N)N MCULE-3607061697 [0,1,0,0,0,0|0,1,0]=2 751 B6R0.2 CC(C)OC(=N)N MCULE-6662387960 [0,1,0,0,0,0|0,1,0]=2 752 B6R0.2 CC(C)OC(=O)Cl MCULE-3303340398 [0,1,0,0,0,0|2,1,0]=4 753 B6R0.2 CC(C)OC(=O)N MCULE-9996500963 [0,1,0,0,0,0|1,1,0]=3 754 B6R0.2 CC(C)OC(=S)[S-] MCULE-2902588510 [0,1,0,0,0,0|2,1,0]=4 755 B6R0.2 CC(C)OC(=S)[S-] MCULE-9078070002 [0,1,0,0,0,0|2,1,0]=4 756 B6R0.2 CC(C)OC(=S)[S-] MCULE-9949285618 [0,1,0,0,0,0|2,1,0]=4 757 B6R0.2 CC(C)SC(=N)N MCULE-1974434339 [0,1,0,0,0,0|0,0,0]=1 758 B6R0.2 CC(C)SC(=N)N MCULE-3570639733 [0,1,0,0,0,0|0,0,0]=1 759 B6R0.2 CC(C)SC(=O)Cl MCULE-9803882280 [0,1,0,0,0,0|2,0,0]=3 760 B6R0.2 CC(C)SC(C)C MCULE-4851334832 [0,1,0,0,0,0|2,0,1]=4 761 B6R0.2 CC(Cl)CC(=O)Cl MCULE-3323045052 [0,1,0,0,0,0|3,0,0]=4 762 B6R0.2 CC(Cl)CC(=O)O MCULE-1436146199 [0,1,0,0,0,0|3,0,0]=4 763 B6R0.2 CC(Cl)OC(=O)Cl MCULE-8020850544 [0,1,0,0,0,0|2,1,0]=4 764 B6R0.2 CC(F)CC(=O)O MCULE-9214258715 [0,1,0,0,0,0|3,0,0]=4 765 B6R0.2 CC(N)CC(=O)N MCULE-8604112274 [0,1,0,0,0,0|2,0,0]=3 766 B6R0.2 CC(N)CC(=O)N MCULE-8651032460 [0,1,0,0,0,0|2,0,0]=3 767 B6R0.2 CC(N)CC(=O)O MCULE-2960589915 [0,1,0,0,0,0|3,0,0]=4 768 B6R0.2 CC(N)CC(=O)O MCULE-5772407106 [0,1,0,0,0,0|3,0,0]=4 769 B6R0.2 CC(N)CC(=O)O MCULE-7818257350 [0,1,0,0,0,0|3,0,0]=4 770 B6R0.2 CC(N)CC(=O)O MCULE-7847644131 [0,1,0,0,0,0|3,0,0]=4 771 B6R0.2 CC(N)CC(C)O MCULE-7772080010 [0,1,0,0,0,0|2,0,1]=4 772 B6R0.2 CC(O)CC(=O)N MCULE-7442557911 [0,1,0,0,0,0|2,0,0]=3 773 B6R0.2 CC(O)CC(=O)O MCULE-3566732882 [0,1,0,0,0,0|3,0,0]=4 774 B6R0.2 CC(O)CC(=O)O MCULE-6537877725 [0,1,0,0,0,0|3,0,0]=4 775 B6R0.2 CC(O)CC(=O)[O-] MCULE-1109368801 [0,1,0,0,0,0|3,0,0]=4 776 B6R0.2 CC(O)CC(=O)[O-] MCULE-5681138302 [0,1,0,0,0,0|3,0,0]=4 777 B6R0.2 CC(O)CN(C)N MCULE-6197492770 [0,1,0,0,0,0|3,0,0]=4 778 B6R0.2 CN(C)CC(=O)N MCULE-3894706713 [0,1,0,0,0,0|3,0,0]=4 779 B6R0.2 CN(C)CC(=S)N MCULE-3863789639 [0,1,0,0,0,0|3,0,0]=4 780 B6R0.2 CN(C)CC(=S)N MCULE-8756068308 [0,1,0,0,0,0|3,0,0]=4 781 B6R0.2 CN(C)NC(=O)N MCULE-4462686977 [0,1,0,0,0,0|3,0,0]=4 782 B6R0.2 C[C@@H](N)CC(=O)O MCULE-2652696372 [0,1,0,0,0,0|3,0,0]=4 783 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7054489636 [0,1,0,0,0,0|3,0,0]=4 784 B6R0.2 C[C@@H](N)CC(=O)O MCULE-7621851215 [0,1,0,0,0,0|3,0,0]=4 785 B6R0.2 C[C@@H](N)CC(=O)O MCULE-8671397640 [0,1,0,0,0,0|3,0,0]=4 786 B6R0.2 C[C@@H](O)CC(=O)O MCULE-2545577683 [0,1,0,0,0,0|3,0,0]=4 787 B6R0.2 C[C@@H](O)CC(=O)O MCULE-4159227891 [0,1,0,0,0,0|3,0,0]=4 788 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7081161048 [0,1,0,0,0,0|3,0,0]=4 789 B6R0.2 C[C@@H](O)CC(=O)[O-] MCULE-7886150665 [0,1,0,0,0,0|3,0,0]=4 790 B6R0.2 C[C@H](Br)CC(=O)O MCULE-1601745040 [0,1,0,0,0,0|3,0,0]=4 791 B6R0.2 C[C@H](Br)CC(=O)O MCULE-2894930407 [0,1,0,0,0,0|3,0,0]=4 792 B6R0.2 C[C@H](N)CC(=O)O MCULE-2656839691 [0,1,0,0,0,0|3,0,0]=4 793 B6R0.2 C[C@H](N)CC(=O)O MCULE-4695512293 [0,1,0,0,0,0|3,0,0]=4 794 B6R0.2 C[C@H](N)CC(=O)O MCULE-5288044169 [0,1,0,0,0,0|3,0,0]=4 795 B6R0.2 C[C@H](N)CC(=O)O MCULE-6641912058 [0,1,0,0,0,0|3,0,0]=4 796 B6R0.2 C[C@H](O)CC(=O)O MCULE-2857686566 [0,1,0,0,0,0|3,0,0]=4 797 B6R0.2 C[C@H](O)CC(=O)O MCULE-3362266278 [0,1,0,0,0,0|3,0,0]=4 798 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-3624690550 [0,1,0,0,0,0|3,0,0]=4 799 B6R0.2 C[C@H](O)CC(=O)[O-] MCULE-5550257128 [0,1,0,0,0,0|3,0,0]=4 800 B6R0.2 N=C(N)CC(=N)N MCULE-4863741442 [0,1,0,0,0,0|2,0,1]=4 801 B6R0.2 N=C(N)CC(=N)N MCULE-8523596922 [0,1,0,0,0,0|2,0,1]=4 802 B6R0.2 N=C(N)CC(=O)N MCULE-9200673939 [0,1,0,0,0,0|2,0,1]=4 803 B6R0.2 N=C(N)NC(=N)N MCULE-3279959199 [0,1,0,0,0,0|2,0,1]=4 804 B6R0.2 N=C(N)NC(=N)N MCULE-5410461738 [0,1,0,0,0,0|2,0,1]=4 805 B6R0.2 N=C(N)NC(=N)N MCULE-7433325616 [0,1,0,0,0,0|2,0,1]=4 806 B6R0.2 N=C(N)NC(=O)N MCULE-1919966850 [0,1,0,0,0,0|2,0,1]=4 807 B6R0.2 N=C(N)NC(=O)N MCULE-3428379172 [0,1,0,0,0,0|2,0,1]=4 808 B6R0.2 N=C(N)NC(=O)N MCULE-6044803486 [0,1,0,0,0,0|2,0,1]=4 809 B6R0.2 N=C(N)NC(=O)N MCULE-8893931961 [0,1,0,0,0,0|2,0,1]=4 810 B6R0.2 N=C(N)NC(=S)N MCULE-9372871737 [0,1,0,0,0,0|2,0,1]=4 811 B6R0.2 N=C(N)NN(=O)=O MCULE-1616315638 [0,1,0,0,0,0|3,0,0]=4 812 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-1040352274 [0,1,0,0,0,0|1,1,1]=4 813 B6R0.2 N=C(N)OC(=[NH2+])N MCULE-7233867485 [0,1,0,0,0,0|1,1,1]=4 814 B6R0.2 [NH3+]C(=S)NC(=N)N MCULE-7154221603 [0,1,0,0,0,0|2,0,1]=4 815 B6R0.3 C(N)(CO)C(=O)N MCULE-5512645571 [0,1,0,0,0,0|3,0,0]=4 816 B6R0.3 C(N)(CO)C(=O)N MCULE-5852943337 [0,1,0,0,0,0|3,0,0]=4 817 B6R0.3 C=C(C)C(C)CC MCULE-3736079313 [0,1,0,0,0,0|3,0,0]=4 818 B6R0.3 C=C(CC)C(=O)O MCULE-7335567367 [0,1,0,0,0,0|3,0,0]=4 819 B6R0.3 CCC(=C(C)C)C MCULE-7258057243 [0,1,0,0,0,0|3,0,0]=4 820 B6R0.3 CCC(=O)C(=O)C MCULE-3065014067 [0,1,0,0,0,0|3,0,0]=4 821 B6R0.3 CCC(=O)C(=O)O MCULE-8360398438 [0,1,0,0,0,0|3,0,0]=4 822 B6R0.3 CCC(=O)C(=O)[O-] MCULE-7571698792 [0,1,0,0,0,0|3,0,0]=4 823 B6R0.3 CCC(=O)C(C)N MCULE-5434634349 [0,1,0,0,0,0|2,0,1]=4 824 B6R0.3 CCC(=O)C(C)N MCULE-8408562669 [0,1,0,0,0,0|2,0,1]=4 825 B6R0.3 CCC(Br)C(=O)Br MCULE-2627972929 [0,1,0,0,0,0|3,0,0]=4 826 B6R0.3 CCC(Br)C(=O)C MCULE-7759811805 [0,1,0,0,0,0|3,0,0]=4 827 B6R0.3 CCC(Br)C(=O)Cl MCULE-1448867234 [0,1,0,0,0,0|3,0,0]=4 828 B6R0.3 CCC(Br)C(=O)N MCULE-5823441392 [0,1,0,0,0,0|2,0,0]=3 829 B6R0.3 CCC(Br)C(=O)O MCULE-4214463814 [0,1,0,0,0,0|3,0,0]=4 830 B6R0.3 CCC(C)C(=N)N MCULE-4070060089 [0,1,0,0,0,0|1,0,0]=2 831 B6R0.3 CCC(C)C(=N)N MCULE-7020524406 [0,1,0,0,0,0|1,0,0]=2 832 B6R0.3 CCC(C)C(=O)C MCULE-5294244024 [0,1,0,0,0,0|3,0,0]=4 833 B6R0.3 CCC(C)C(=O)Cl MCULE-3594098886 [0,1,0,0,0,0|3,0,0]=4 834 B6R0.3 CCC(C)C(=O)N MCULE-9298244547 [0,1,0,0,0,0|2,0,0]=3 835 B6R0.3 CCC(C)C(=O)O MCULE-5615925204 [0,1,0,0,0,0|3,0,0]=4 836 B6R0.3 CCC(C)C(=O)O MCULE-7434436828 [0,1,0,0,0,0|3,0,0]=4 837 B6R0.3 CCC(C)C(=S)N MCULE-9682279721 [0,1,0,0,0,0|2,0,0]=3 838 B6R0.3 CCC(C)C(C)N MCULE-1056466337 [0,1,0,0,0,0|2,0,1]=4 839 B6R0.3 CCC(C)C(C)N MCULE-1503543126 [0,1,0,0,0,0|2,0,1]=4 840 B6R0.3 CCC(Cl)C(=O)Cl MCULE-6260726168 [0,1,0,0,0,0|3,0,0]=4 841 B6R0.3 CCC(Cl)C(=O)N MCULE-7941338456 [0,1,0,0,0,0|2,0,0]=3 842 B6R0.3 CCC(Cl)C(=O)O MCULE-6325944516 [0,1,0,0,0,0|3,0,0]=4 843 B6R0.3 CCC(F)C(=O)O MCULE-3947852767 [0,1,0,0,0,0|3,0,0]=4 844 B6R0.3 CCC(N)C(=O)N MCULE-2662930657 [0,1,0,0,0,0|2,0,0]=3 845 B6R0.3 CCC(N)C(=O)N MCULE-5136248706 [0,1,0,0,0,0|2,0,0]=3 846 B6R0.3 CCC(N)C(=O)N MCULE-8876361903 [0,1,0,0,0,0|2,0,0]=3 847 B6R0.3 CCC(N)C(=O)N MCULE-9704177556 [0,1,0,0,0,0|2,0,0]=3 848 B6R0.3 CCC(N)C(=O)O MCULE-2132009026 [0,1,0,0,0,0|3,0,0]=4 849 B6R0.3 CCC(N)C(=O)O MCULE-7397078475 [0,1,0,0,0,0|3,0,0]=4 850 B6R0.3 CCC(N)C(=O)O MCULE-8052711911 [0,1,0,0,0,0|3,0,0]=4 851 B6R0.3 CCC(N)C(=O)O MCULE-9815187967 [0,1,0,0,0,0|3,0,0]=4 852 B6R0.3 CCC(O)C(=O)N MCULE-4290959224 [0,1,0,0,0,0|2,0,0]=3 853 B6R0.3 CCC(O)C(=O)O MCULE-1958918710 [0,1,0,0,0,0|3,0,0]=4 854 B6R0.3 CCC(O)C(=O)O MCULE-2006594131 [0,1,0,0,0,0|3,0,0]=4 855 B6R0.3 CCC(O)C(=O)[O-] MCULE-5297669254 [0,1,0,0,0,0|3,0,0]=4 856 B6R0.3 CCC(O)C(=O)[O-] MCULE-5740032698 [0,1,0,0,0,0|3,0,0]=4 857 B6R0.3 CCC(O)C(C)N MCULE-4027170059 [0,1,0,0,0,0|2,0,1]=4 858 B6R0.3 CCC(S)C(=O)C MCULE-4243782106 [0,1,0,0,0,0|3,0,0]=4 859 B6R0.3 CCC(S)C(=O)O MCULE-9887370695 [0,1,0,0,0,0|3,0,0]=4 860 B6R0.3 CCN(C)C(=N)N MCULE-1941465818 [0,1,0,0,0,0|1,0,0]=2 861 B6R0.3 CCN(C)C(=O)C MCULE-6881823095 [0,1,0,0,0,0|3,0,0]=4 862 B6R0.3 CCN(C)C(=O)Cl MCULE-3697487267 [0,1,0,0,0,0|3,0,0]=4 863 B6R0.3 CCN(N)C(=O)N MCULE-8674876262 [0,1,0,0,0,0|2,0,0]=3 864 B6R0.3 CCN(O)C(=O)C MCULE-8547381969 [0,1,0,0,0,0|3,0,0]=4 865 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-3890418201 [0,1,0,0,0,0|3,0,0]=4 866 B6R0.3 CC[C@@H](Br)C(=O)O MCULE-5910145154 [0,1,0,0,0,0|3,0,0]=4 867 B6R0.3 CC[C@@H](C)C(=O)N MCULE-3083676357 [0,1,0,0,0,0|2,0,0]=3 868 B6R0.3 CC[C@@H](C)C(=O)N MCULE-4584753474 [0,1,0,0,0,0|2,0,0]=3 869 B6R0.3 CC[C@@H](C)C(=O)O MCULE-4225604875 [0,1,0,0,0,0|3,0,0]=4 870 B6R0.3 CC[C@@H](C)C(=O)O MCULE-6581991788 [0,1,0,0,0,0|3,0,0]=4 871 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-2496023102 [0,1,0,0,0,0|3,0,0]=4 872 B6R0.3 CC[C@@H](Cl)C(=O)O MCULE-9719915588 [0,1,0,0,0,0|3,0,0]=4 873 B6R0.3 CC[C@@H](N)C(=O)N MCULE-2790345262 [0,1,0,0,0,0|2,0,0]=3 874 B6R0.3 CC[C@@H](N)C(=O)N MCULE-3501293124 [0,1,0,0,0,0|2,0,0]=3 875 B6R0.3 CC[C@@H](N)C(=O)N MCULE-4913204798 [0,1,0,0,0,0|2,0,0]=3 876 B6R0.3 CC[C@@H](N)C(=O)N MCULE-5005994513 [0,1,0,0,0,0|2,0,0]=3 877 B6R0.3 CC[C@@H](N)C(=O)O MCULE-3824768448 [0,1,0,0,0,0|3,0,0]=4 878 B6R0.3 CC[C@@H](N)C(=O)O MCULE-7078248621 [0,1,0,0,0,0|3,0,0]=4 879 B6R0.3 CC[C@@H](N)C(=O)O MCULE-8856363896 [0,1,0,0,0,0|3,0,0]=4 880 B6R0.3 CC[C@@H](N)C(=O)O MCULE-9662763952 [0,1,0,0,0,0|3,0,0]=4 881 B6R0.3 CC[C@@H](O)C(=O)O MCULE-8118182602 [0,1,0,0,0,0|3,0,0]=4 882 B6R0.3 CC[C@@H](O)C(=O)O MCULE-9744322272 [0,1,0,0,0,0|3,0,0]=4 883 B6R0.3 CC[C@H](Br)C(=O)O MCULE-2859668715 [0,1,0,0,0,0|3,0,0]=4 884 B6R0.3 CC[C@H](Br)C(=O)O MCULE-9989821197 [0,1,0,0,0,0|3,0,0]=4 885 B6R0.3 CC[C@H](C)C(=O)O MCULE-5170193492 [0,1,0,0,0,0|3,0,0]=4 886 B6R0.3 CC[C@H](C)C(=O)O MCULE-6595467867 [0,1,0,0,0,0|3,0,0]=4 887 B6R0.3 CC[C@H](Cl)C(=O)O MCULE-8870390851 [0,1,0,0,0,0|3,0,0]=4 888 B6R0.3 CC[C@H](N)C(=O)N MCULE-1934671300 [0,1,0,0,0,0|2,0,0]=3 889 B6R0.3 CC[C@H](N)C(=O)N MCULE-3034729287 [0,1,0,0,0,0|2,0,0]=3 890 B6R0.3 CC[C@H](N)C(=O)N MCULE-6902117665 [0,1,0,0,0,0|2,0,0]=3 891 B6R0.3 CC[C@H](N)C(=O)N MCULE-9419812665 [0,1,0,0,0,0|2,0,0]=3 892 B6R0.3 CC[C@H](N)C(=O)O MCULE-3597025691 [0,1,0,0,0,0|3,0,0]=4 893 B6R0.3 CC[C@H](N)C(=O)O MCULE-5445914617 [0,1,0,0,0,0|3,0,0]=4 894 B6R0.3 CC[C@H](N)C(=O)O MCULE-7781302707 [0,1,0,0,0,0|3,0,0]=4 895 B6R0.3 CC[C@H](N)C(=O)O MCULE-8446392822 [0,1,0,0,0,0|3,0,0]=4 896 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-2161876558 [0,1,0,0,0,0|3,0,0]=4 897 B6R0.3 CC[C@H](N)C(=[Se])O MCULE-6045953433 [0,1,0,0,0,0|3,0,0]=4 898 B6R0.3 CC[C@H](O)C(=O)O MCULE-4284991317 [0,1,0,0,0,0|3,0,0]=4 899 B6R0.3 CC[C@H](O)C(=O)O MCULE-6782147427 [0,1,0,0,0,0|3,0,0]=4 900 B6R0.3 CC[C@H](O)C(=O)[O-] MCULE-6073275709 [0,1,0,0,0,0|3,0,0]=4 901 B6R0.3 CNC(C)C(=O)N MCULE-1426280147 [0,1,0,0,0,0|3,0,0]=4 902 B6R0.3 CNC(C)C(=O)N MCULE-2344663168 [0,1,0,0,0,0|3,0,0]=4 903 B6R0.3 CN[C@@H](C)C(=O)N MCULE-3316985921 [0,1,0,0,0,0|3,0,0]=4 904 B6R0.3 COC(=O)C(=N)N MCULE-3129647301 [0,1,0,0,0,0|2,0,0]=3 905 B6R0.3 COC(=O)C(=N)N MCULE-4942451868 [0,1,0,0,0,0|2,0,0]=3 906 B6R0.3 COC(=O)C(=S)N MCULE-8900860523 [0,1,0,0,0,0|3,0,0]=4 907 B6R0.3 COC(C)C(=O)N MCULE-5955494048 [0,1,0,0,0,0|3,0,0]=4 908 B6R0.3 COC(C)C(=S)N MCULE-6827196665 [0,1,0,0,0,0|3,0,0]=4 909 B6R0.3 NC(=O)C(Br)CBr MCULE-3438242131 [0,1,0,0,0,0|3,0,0]=4 910 B6R0.3 NC(=O)C(Cl)CCl MCULE-9549750186 [0,1,0,0,0,0|3,0,0]=4 911 B6R0.3 NC(=O)C(N)CO MCULE-4842751232 [0,1,0,0,0,0|3,0,0]=4 912 B6R0.3 NC(=O)C(N)CO MCULE-6854366147 [0,1,0,0,0,0|3,0,0]=4 913 B6R0.3 NC(=O)C(N)CS MCULE-3144051628 [0,1,0,0,0,0|3,0,0]=4 914 B6R0.3 NC(=O)C(N)CS MCULE-7739536595 [0,1,0,0,0,0|3,0,0]=4 915 B6R0.3 NC(=O)[C@@H](N)CO MCULE-2185844038 [0,1,0,0,0,0|3,0,0]=4 916 B6R0.3 NC(=O)[C@@H](N)CO MCULE-3623516041 [0,1,0,0,0,0|3,0,0]=4 917 B6R0.3 NC(=O)[C@@H](N)CO MCULE-6218638108 [0,1,0,0,0,0|3,0,0]=4 918 B6R0.3 NC(=O)[C@@H](N)CS MCULE-9790378691 [0,1,0,0,0,0|3,0,0]=4 919 B6R0.3 NC(=O)[C@H](N)CO MCULE-2061645482 [0,1,0,0,0,0|3,0,0]=4 920 B6R0.3 NC(=O)[C@H](N)CO MCULE-5920366137 [0,1,0,0,0,0|3,0,0]=4 921 B6R0.3 NC(=O)[C@H](N)CO MCULE-7612340519 [0,1,0,0,0,0|3,0,0]=4 922 B6R0.3 NC(=O)[C@H](N)CO MCULE-7734326153 [0,1,0,0,0,0|3,0,0]=4 923 B6R0.3 NCC(O)C(=O)N MCULE-1543465850 [0,1,0,0,0,0|3,0,0]=4 924 B6R0.3 NCC(O)C(=O)N MCULE-9574499203 [0,1,0,0,0,0|3,0,0]=4 925 B6R0.3 [C@H](N)(CO)C(=O)N MCULE-2792784400 [0,1,0,0,0,0|3,0,0]=4 926 B6R0.3 [C@H](S)(CC)C(=O)O MCULE-4267293279 [0,1,0,0,0,0|3,0,0]=4 927 B6R0.4 C#CCCC(=O)N MCULE-4490482235 [0,1,0,0,0,0|2,0,1]=4 928 B6R0.4 C#CCNC(=O)N MCULE-4499144419 [0,1,0,0,0,0|2,0,1]=4 929 B6R0.4 C#CCOC(=O)N MCULE-9698208346 [0,1,0,0,0,0|1,1,1]=4 930 B6R0.4 C/C=C/CC(=O)N MCULE-1942934157 [0,1,0,0,0,0|2,0,1]=4 931 B6R0.4 C/C=N/NC(=O)N MCULE-5855402964 [0,1,0,0,0,0|2,0,1]=4 932 B6R0.4 C=C(C)CCCBr MCULE-5063918467 [0,1,0,0,0,0|3,0,0]=4 933 B6R0.4 C=C(C)CCCC MCULE-1010177756 [0,1,0,0,0,0|3,0,0]=4 934 B6R0.4 C=C(C)CCCO MCULE-4629274490 [0,1,0,0,0,0|3,0,0]=4 935 B6R0.4 C=C(C)CNCC MCULE-2237759977 [0,1,0,0,0,0|3,0,0]=4 936 B6R0.4 C=C(Cl)CCCCl MCULE-5713882356 [0,1,0,0,0,0|3,0,0]=4 937 B6R0.4 C=C(F)CCCO MCULE-1688645687 [0,1,0,0,0,0|3,0,0]=4 938 B6R0.4 C=CCCC(=N)N MCULE-6900789687 [0,1,0,0,0,0|1,0,1]=3 939 B6R0.4 C=CCCC(=N)N MCULE-8560021860 [0,1,0,0,0,0|1,0,1]=3 940 B6R0.4 C=CCCC(=O)N MCULE-7202462484 [0,1,0,0,0,0|2,0,1]=4 941 B6R0.4 C=CCNC(=O)N MCULE-1210131291 [0,1,0,0,0,0|2,0,1]=4 942 B6R0.4 C=CCNC(=S)N MCULE-4099442157 [0,1,0,0,0,0|2,0,1]=4 943 B6R0.4 C=CCOC(=O)N MCULE-4119124558 [0,1,0,0,0,0|1,1,1]=4 944 B6R0.4 C=CCSC(=N)N MCULE-8236628420 [0,1,0,0,0,0|0,0,1]=2 945 B6R0.4 C=CCSC(=[NH2+])N MCULE-7174450469 [0,1,0,0,0,0|0,0,2]=3 946 B6R0.4 CC(=CCCBr)C MCULE-9403575147 [0,1,0,0,0,0|3,0,0]=4 947 B6R0.4 CC(=CCCN)C MCULE-9185531904 [0,1,0,0,0,0|3,0,0]=4 948 B6R0.4 CC(=CCCO)C MCULE-2493404466 [0,1,0,0,0,0|3,0,0]=4 949 B6R0.4 CC(=CCCO)C MCULE-8497528596 [0,1,0,0,0,0|3,0,0]=4 950 B6R0.4 CC(=O)CCCBr MCULE-7143092097 [0,1,0,0,0,0|3,0,0]=4 951 B6R0.4 CC(=O)CCCCl MCULE-7158553745 [0,1,0,0,0,0|3,0,0]=4 952 B6R0.4 CC(=O)CCCO MCULE-1335342150 [0,1,0,0,0,0|3,0,0]=4 953 B6R0.4 CC(=O)NCCCl MCULE-7865062188 [0,1,0,0,0,0|3,0,0]=4 954 B6R0.4 CC(=O)NCCN MCULE-2230084818 [0,1,0,0,0,0|3,0,0]=4 955 B6R0.4 CC(=O)NCCO MCULE-5968518415 [0,1,0,0,0,0|3,0,0]=4 956 B6R0.4 CC(=O)NCCS MCULE-3345813615 [0,1,0,0,0,0|3,0,0]=4 957 B6R0.4 CC(=O)OCCBr MCULE-3760449773 [0,1,0,0,0,0|2,1,0]=4 958 B6R0.4 CC(=O)OCCCl MCULE-4570139017 [0,1,0,0,0,0|2,1,0]=4 959 B6R0.4 CC(=O)OCCN MCULE-4530529900 [0,1,0,0,0,0|2,1,0]=4 960 B6R0.4 CC(=O)OCCN MCULE-6854340494 [0,1,0,0,0,0|2,1,0]=4 961 B6R0.4 CC(=O)OCCO MCULE-1251660436 [0,1,0,0,0,0|2,1,0]=4 962 B6R0.4 CC(=O)SCC#N MCULE-5864559051 [0,1,0,0,0,0|2,0,1]=4 963 B6R0.4 CC(=O)SCCBr MCULE-1786480878 [0,1,0,0,0,0|2,0,0]=3 964 B6R0.4 CC(=O)SCCN MCULE-3819903256 [0,1,0,0,0,0|2,0,0]=3 965 B6R0.4 CC(=O)SCCN MCULE-4872130470 [0,1,0,0,0,0|2,0,0]=3 966 B6R0.4 CC(=O)SCCN MCULE-7084821345 [0,1,0,0,0,0|2,0,0]=3 967 B6R0.4 CC(C)SCCCl MCULE-4991548042 [0,1,0,0,0,0|2,0,1]=4 968 B6R0.4 CC(C)SCCN MCULE-2838203545 [0,1,0,0,0,0|2,0,1]=4 969 B6R0.4 CC(C)SCCN MCULE-6551225219 [0,1,0,0,0,0|2,0,1]=4 970 B6R0.4 CC(C)SCCO MCULE-1467015400 [0,1,0,0,0,0|2,0,1]=4 971 B6R0.4 CC(N)CCCN MCULE-4857113826 [0,1,0,0,0,0|2,0,1]=4 972 B6R0.4 CC(N)CCCN MCULE-4899798325 [0,1,0,0,0,0|2,0,1]=4 973 B6R0.4 CC(N)CCCO MCULE-6629535696 [0,1,0,0,0,0|2,0,1]=4 974 B6R0.4 CC/C=C/C(=N)N MCULE-7871697378 [0,1,0,0,0,0|1,0,0]=2 975 B6R0.4 CC/C=C/C(=N)N MCULE-9276291098 [0,1,0,0,0,0|1,0,0]=2 976 B6R0.4 CC/C=C/C(=O)Cl MCULE-8929214872 [0,1,0,0,0,0|3,0,0]=4 977 B6R0.4 CC/C=C/C(=O)O MCULE-4888215476 [0,1,0,0,0,0|3,0,0]=4 978 B6R0.4 CC=NNC(=O)N MCULE-3878774235 [0,1,0,0,0,0|2,0,1]=4 979 B6R0.4 CC=NNC(=S)N MCULE-3128372277 [0,1,0,0,0,0|2,0,1]=4 980 B6R0.4 CCC#CC(=O)C MCULE-7788224704 [0,1,0,0,0,0|3,0,0]=4 981 B6R0.4 CCC#CC(=O)O MCULE-1053283381 [0,1,0,0,0,0|3,0,0]=4 982 B6R0.4 CCC=CC(=O)C MCULE-2986269826 [0,1,0,0,0,0|3,0,0]=4 983 B6R0.4 CCC=CC(=O)Cl MCULE-5159865849 [0,1,0,0,0,0|3,0,0]=4 984 B6R0.4 CCC=CC(=O)O MCULE-3920494238 [0,1,0,0,0,0|3,0,0]=4 985 B6R0.4 CCCC=C(C)C MCULE-2110588796 [0,1,0,0,0,0|3,0,0]=4 986 B6R0.4 CCCCC(=N)N MCULE-3271993509 [0,1,0,0,0,0|1,0,0]=2 987 B6R0.4 CCCCC(=N)N MCULE-3935017760 [0,1,0,0,0,0|1,0,0]=2 988 B6R0.4 CCCCC(=O)Br MCULE-2980405081 [0,1,0,0,0,0|3,0,0]=4 989 B6R0.4 CCCCC(=O)C MCULE-3554390184 [0,1,0,0,0,0|3,0,0]=4 990 B6R0.4 CCCCC(=O)Cl MCULE-3875407102 [0,1,0,0,0,0|3,0,0]=4 991 B6R0.4 CCCCC(=O)N MCULE-6419483436 [0,1,0,0,0,0|2,0,0]=3 992 B6R0.4 CCCCC(=O)O MCULE-2333640078 [0,1,0,0,0,0|3,0,0]=4 993 B6R0.4 CCCCC(=O)[O-] MCULE-4817107962 [0,1,0,0,0,0|3,0,0]=4 994 B6R0.4 CCCCC(=S)N MCULE-8236760762 [0,1,0,0,0,0|2,0,0]=3 995 B6R0.4 CCCCC(C)N MCULE-5349371506 [0,1,0,0,0,0|2,0,1]=4 996 B6R0.4 CCCCC(C)N MCULE-6696490028 [0,1,0,0,0,0|2,0,1]=4 997 B6R0.4 CCCCN(C)N MCULE-7927159797 [0,1,0,0,0,0|3,0,0]=4 998 B6R0.4 CCCC[C@@H](C)N MCULE-2673058676 [0,1,0,0,0,0|2,0,1]=4 999 B6R0.4 CCCC[C@@H](C)N MCULE-7666196055 [0,1,0,0,0,0|2,0,1]=4 1000 B6R0.4 CCCC[C@H](C)N MCULE-6212068145 [0,1,0,0,0,0|2,0,1]=4 1001 B6R0.4 CCCC[C@H](C)N MCULE-7818513999 [0,1,0,0,0,0|2,0,1]=4 1002 B6R0.4 CCCNC(=N)N MCULE-6381843991 [0,1,0,0,0,0|1,0,0]=2 1003 B6R0.4 CCCNC(=N)N MCULE-8286774592 [0,1,0,0,0,0|1,0,0]=2 1004 B6R0.4 CCCNC(=O)C MCULE-5899703886 [0,1,0,0,0,0|3,0,0]=4 1005 B6R0.4 CCCNC(=O)Cl MCULE-2937184966 [0,1,0,0,0,0|3,0,0]=4 1006 B6R0.4 CCCNC(=O)N MCULE-8528844765 [0,1,0,0,0,0|2,0,0]=3 1007 B6R0.4 CCCNC(=S)N MCULE-3142756488 [0,1,0,0,0,0|2,0,0]=3 1008 B6R0.4 CCCOC(=O)C MCULE-7327042566 [0,1,0,0,0,0|2,1,0]=4 1009 B6R0.4 CCCOC(=O)Cl MCULE-1312686139 [0,1,0,0,0,0|2,1,0]=4 1010 B6R0.4 CCCOC(=O)N MCULE-2760622567 [0,1,0,0,0,0|1,1,0]=3 1011 B6R0.4 CCCOC(=S)[S-] MCULE-9126934993 [0,1,0,0,0,0|2,1,0]=4 1012 B6R0.4 CCCOC(=S)[S-] MCULE-9566804941 [0,1,0,0,0,0|2,1,0]=4 1013 B6R0.4 CCCSC(=N)N MCULE-4777505658 [0,1,0,0,0,0|0,0,0]=1 1014 B6R0.4 CCCSC(=N)N MCULE-8873393921 [0,1,0,0,0,0|0,0,0]=1 1015 B6R0.4 CCCSC(=O)C MCULE-4329646671 [0,1,0,0,0,0|2,0,0]=3 1016 B6R0.4 CCCSC(=O)Cl MCULE-5971141999 [0,1,0,0,0,0|2,0,0]=3 1017 B6R0.4 CCCSC(=[NH2+])N MCULE-6759252204 [0,1,0,0,0,0|0,0,1]=2 1018 B6R0.4 CCCSC(C)C MCULE-2233656285 [0,1,0,0,0,0|2,0,1]=4 1019 B6R0.4 CCNCC(=O)C MCULE-5799315547 [0,1,0,0,0,0|3,0,0]=4 1020 B6R0.4 CCNCC(=O)C MCULE-9258294157 [0,1,0,0,0,0|3,0,0]=4 1021 B6R0.4 CCNCC(=O)N MCULE-1787248899 [0,1,0,0,0,0|2,0,0]=3 1022 B6R0.4 CCNCC(=O)N MCULE-3821700273 [0,1,0,0,0,0|2,0,0]=3 1023 B6R0.4 CCNCC(=O)O MCULE-5989480216 [0,1,0,0,0,0|3,0,0]=4 1024 B6R0.4 CCNCC(=O)O MCULE-8087863397 [0,1,0,0,0,0|3,0,0]=4 1025 B6R0.4 CCOCC(=N)N MCULE-3232806707 [0,1,0,0,0,0|0,1,0]=2 1026 B6R0.4 CCOCC(=N)N MCULE-4996987536 [0,1,0,0,0,0|0,1,0]=2 1027 B6R0.4 CCOCC(=O)C MCULE-2825677443 [0,1,0,0,0,0|2,1,0]=4 1028 B6R0.4 CCOCC(=O)Cl MCULE-2172268229 [0,1,0,0,0,0|2,1,0]=4 1029 B6R0.4 CCOCC(=O)O MCULE-1726530898 [0,1,0,0,0,0|2,1,0]=4 1030 B6R0.4 CCOCC(=S)N MCULE-7064672670 [0,1,0,0,0,0|1,1,0]=3 1031 B6R0.4 CCOCC(C)N MCULE-8540668261 [0,1,0,0,0,0|1,1,1]=4 1032 B6R0.4 CCOCC(C)N MCULE-8720228996 [0,1,0,0,0,0|1,1,1]=4 1033 B6R0.4 CCOC[C@@H](C)N MCULE-7053460047 [0,1,0,0,0,0|1,1,1]=4 1034 B6R0.4 CCOC[C@@H](C)N MCULE-9865800502 [0,1,0,0,0,0|1,1,1]=4 1035 B6R0.4 CCOC[C@H](C)N MCULE-2897416804 [0,1,0,0,0,0|1,1,1]=4 1036 B6R0.4 CCOC[C@H](C)N MCULE-6799267946 [0,1,0,0,0,0|1,1,1]=4 1037 B6R0.4 CCSCC(=O)C MCULE-9872082780 [0,1,0,0,0,0|2,0,0]=3 1038 B6R0.4 CCSCC(=O)O MCULE-7471335718 [0,1,0,0,0,0|2,0,0]=3 1039 B6R0.4 CCSCC(C)N MCULE-3399255190 [0,1,0,0,0,0|1,0,1]=3 1040 B6R0.4 CNCCC(=O)N MCULE-1118876220 [0,1,0,0,0,0|2,0,0]=3 1041 B6R0.4 CNCCC(=O)N MCULE-6679713144 [0,1,0,0,0,0|2,0,0]=3 1042 B6R0.4 CNCCC(=O)O MCULE-3627988097 [0,1,0,0,0,0|3,0,0]=4 1043 B6R0.4 CNCCC(=O)O MCULE-9858204248 [0,1,0,0,0,0|3,0,0]=4 1044 B6R0.4 CNCCC(C)N MCULE-5955505029 [0,1,0,0,0,0|2,0,1]=4 1045 B6R0.4 CNCCC(C)N MCULE-8933967952 [0,1,0,0,0,0|2,0,1]=4 1046 B6R0.4 CNCC[C@@H](C)N MCULE-6024494304 [0,1,0,0,0,0|2,0,1]=4 1047 B6R0.4 CNCC[C@H](C)N MCULE-5449372796 [0,1,0,0,0,0|2,0,1]=4 1048 B6R0.4 CNCC[C@H](C)N MCULE-8157402351 [0,1,0,0,0,0|2,0,1]=4 1049 B6R0.4 COCCC(=N)N MCULE-8118559492 [0,1,0,0,0,0|1,0,0]=2 1050 B6R0.4 COCCC(=N)N MCULE-9000138086 [0,1,0,0,0,0|1,0,0]=2 1051 B6R0.4 COCCC(=O)C MCULE-5939812376 [0,1,0,0,0,0|3,0,0]=4 1052 B6R0.4 COCCC(=O)Cl MCULE-9454266286 [0,1,0,0,0,0|3,0,0]=4 1053 B6R0.4 COCCC(=O)N MCULE-7556483675 [0,1,0,0,0,0|2,0,0]=3 1054 B6R0.4 COCCC(=O)O MCULE-3436347115 [0,1,0,0,0,0|3,0,0]=4 1055 B6R0.4 COCCC(C)N MCULE-6183216923 [0,1,0,0,0,0|2,0,1]=4 1056 B6R0.4 COCCN(C)N MCULE-9480733049 [0,1,0,0,0,0|3,0,0]=4 1057 B6R0.4 COCC[C@H](C)N MCULE-6163336851 [0,1,0,0,0,0|2,0,1]=4 1058 B6R0.4 COCC[C@H](C)N MCULE-6363449253 [0,1,0,0,0,0|2,0,1]=4 1059 B6R0.4 COCNC(=O)N MCULE-8367032240 [0,1,0,0,0,0|2,0,0]=3 1060 B6R0.4 COCOC(=O)C MCULE-8876091916 [0,1,0,0,0,0|2,1,0]=4 1061 B6R0.4 CSCCC(=N)N MCULE-3926353306 [0,1,0,0,0,0|1,0,0]=2 1062 B6R0.4 CSCCC(=N)N MCULE-4451485733 [0,1,0,0,0,0|1,0,0]=2 1063 B6R0.4 CSCCC(=O)C MCULE-6178663156 [0,1,0,0,0,0|3,0,0]=4 1064 B6R0.4 CSCCC(=O)Cl MCULE-9732512141 [0,1,0,0,0,0|3,0,0]=4 1065 B6R0.4 CSCCC(=O)N MCULE-7105035733 [0,1,0,0,0,0|2,0,0]=3 1066 B6R0.4 CSCCC(=O)O MCULE-9550032941 [0,1,0,0,0,0|3,0,0]=4 1067 B6R0.4 CSCCC(C)N MCULE-3925048385 [0,1,0,0,0,0|2,0,1]=4 1068 B6R0.4 CSCOC(=O)C MCULE-1498769347 [0,1,0,0,0,0|2,1,0]=4 1069 B6R0.4 CSSCC(=O)O MCULE-5829510166 [0,1,0,0,0,0|3,0,0]=4 1070 B6R0.4 C[C@@H](N)CCCO MCULE-8313291415 [0,1,0,0,0,0|2,0,1]=4 1071 B6R0.4 FC(=CCCBr)F MCULE-2616028843 [0,1,0,0,0,0|3,0,0]=4 1072 B6R0.4 FC(=CCCCl)F MCULE-2193644602 [0,1,0,0,0,0|3,0,0]=4 1073 B6R0.4 N#CCNC(=O)N MCULE-9927791118 [0,1,0,0,0,0|2,0,1]=4 1074 B6R0.4 N=C(N)NCCO MCULE-5114367892 [0,1,0,0,0,0|1,0,0]=2 1075 B6R0.4 N=C(N)NCCO MCULE-6389092248 [0,1,0,0,0,0|1,0,0]=2 1076 B6R0.4 N=C(N)NCCS MCULE-1108122235 [0,1,0,0,0,0|1,0,0]=2 1077 B6R0.4 N=C(N)NCCS MCULE-1842583721 [0,1,0,0,0,0|1,0,0]=2 1078 B6R0.4 N=C(N)NCCS MCULE-4497722042 [0,1,0,0,0,0|1,0,0]=2 1079 B6R0.4 N=C(N)NCCS MCULE-6123443321 [0,1,0,0,0,0|1,0,0]=2 1080 B6R0.4 N=C(N)SCCN MCULE-1482556327 [0,1,0,0,0,0|0,0,0]=1 1081 B6R0.4 N=C(N)SCCO MCULE-5563309692 [0,1,0,0,0,0|0,0,0]=1 1082 B6R0.4 N=C(N)SCCO MCULE-5671847690 [0,1,0,0,0,0|0,0,0]=1 1083 B6R0.4 NC(=NCCO)N MCULE-5043697998 [0,1,0,0,0,0|1,0,1]=3 1084 B6R0.4 NC(=NCCS)N MCULE-4111802244 [0,1,0,0,0,0|1,0,1]=3 1085 B6R0.4 NC(=O)CCCCl MCULE-2774705212 [0,1,0,0,0,0|2,0,0]=3 1086 B6R0.4 NC(=O)CCCO MCULE-3779341561 [0,1,0,0,0,0|2,0,0]=3 1087 B6R0.4 NC(=O)NCCCl MCULE-6117142945 [0,1,0,0,0,0|2,0,0]=3 1088 B6R0.4 NC(=O)NCCF MCULE-9526714989 [0,1,0,0,0,0|2,0,0]=3 1089 B6R0.4 NC(=O)NCCO MCULE-2353513655 [0,1,0,0,0,0|2,0,0]=3 1090 B6R0.4 NC(=O)OCCCl MCULE-4259077420 [0,1,0,0,0,0|1,1,0]=3 1091 B6R0.4 NC(=O)OCCO MCULE-7565460845 [0,1,0,0,0,0|1,1,0]=3 1092 B6R0.4 NC(=S)CCCO MCULE-8951145487 [0,1,0,0,0,0|2,0,0]=3 1093 B6R0.4 NC(=S)NCCO MCULE-9343742573 [0,1,0,0,0,0|2,0,0]=3 1094 B6R0.4 NCCCC(=O)Cl MCULE-1312882775 [0,1,0,0,0,0|3,0,0]=4 1095 B6R0.4 NCCCC(=O)Cl MCULE-6405362906 [0,1,0,0,0,0|3,0,0]=4 1096 B6R0.4 NCCCC(=O)N MCULE-8039142092 [0,1,0,0,0,0|2,0,0]=3 1097 B6R0.4 NCCCC(=O)N MCULE-8262250872 [0,1,0,0,0,0|2,0,0]=3 1098 B6R0.4 NCCCC(=O)O MCULE-3615304273 [0,1,0,0,0,0|3,0,0]=4 1099 B6R0.4 NCCCC(=O)O MCULE-7613134021 [0,1,0,0,0,0|3,0,0]=4 1100 B6R0.4 NCCNC(=O)N MCULE-1197396950 [0,1,0,0,0,0|2,0,0]=3 1101 B6R0.4 NCCNC(=O)N MCULE-2171700183 [0,1,0,0,0,0|2,0,0]=3 1102 B6R0.4 NCCNC(=O)N MCULE-3799764813 [0,1,0,0,0,0|2,0,0]=3 1103 B6R0.4 NCCNC(=S)N MCULE-7473616024 [0,1,0,0,0,0|2,0,0]=3 1104 B6R0.4 NCCNC(=S)N MCULE-7947010145 [0,1,0,0,0,0|2,0,0]=3 1105 B6R0.4 NCCOC(=O)N MCULE-4144808257 [0,1,0,0,0,0|1,1,0]=3 1106 B6R0.4 NCCOC(=O)N MCULE-5815053840 [0,1,0,0,0,0|1,1,0]=3 1107 B6R0.4 O=C(Cl)CCCBr MCULE-1389049838 [0,1,0,0,0,0|3,0,0]=4 1108 B6R0.4 O=C(Cl)CCCCl MCULE-5885932072 [0,1,0,0,0,0|3,0,0]=4 1109 B6R0.4 O=C(Cl)OCCBr MCULE-6758010852 [0,1,0,0,0,0|2,1,0]=4 1110 B6R0.4 O=C(Cl)OCCCl MCULE-1505786385 [0,1,0,0,0,0|2,1,0]=4 1111 B6R0.4 O=C(Cl)OCCF MCULE-5233366139 [0,1,0,0,0,0|2,1,0]=4 1112 B6R0.4 O=C(O)CCCBr MCULE-5669825022 [0,1,0,0,0,0|3,0,0]=4 1113 B6R0.4 O=C(O)CCCCl MCULE-7721427391 [0,1,0,0,0,0|3,0,0]=4 1114 B6R0.4 O=C(O)CCCF MCULE-2415675768 [0,1,0,0,0,0|3,0,0]=4 1115 B6R0.4 O=C(O)CCCI MCULE-7794841553 [0,1,0,0,0,0|3,0,0]=4 1116 B6R0.4 O=C(O)CCCS MCULE-3352840152 [0,1,0,0,0,0|3,0,0]=4 1117 B6R0.4 O=C([O-])CCCCl MCULE-4131322715 [0,1,0,0,0,0|3,0,0]=4 1118 B6R0.4 [NH2+]=C(N)SCC[NH3+] MCULE-2799536411 [0,1,0,0,0,0|0,0,1]=2 1119 B6R0.5 CCCC(C)(C)N MCULE-2670535144 [0,1,0,0,0,0|2,0,1]=4 1120 B6R0.5 CCCC(C)(C)N MCULE-4533125677 [0,1,0,0,0,0|2,0,1]=4 1121 B6R0.5 CCCS(=O)(=O)N MCULE-1554874611 [0,1,0,0,0,0|3,0,0]=4 1122 B6R0.5 CCNS(=O)(=O)N MCULE-5535895823 [0,1,0,0,0,0|3,0,0]=4 1123 B6R0.5 CCOS(=O)(=O)N MCULE-5392957728 [0,1,0,0,0,0|2,1,0]=4 1124 B6R0.5 CCS[Si](C)(C)C MCULE-5083196421 [0,1,0,0,0,0|2,1,0]=4 1125 B6R1.2 BrC1=CCCC1 MCULE-1008379150 [0,0,0,1,0,0|3,0,0]=4 1126 B6R1.2 BrC1=NC=CS1 MCULE-9214561330 [0,0,0,1,0,0|1,0,2]=4 1127 B6R1.2 BrC1=NC=NS1 MCULE-2591798440 [0,0,0,1,0,0|2,0,1]=4 1128 B6R1.2 BrC1=NN=CS1 MCULE-2949971656 [0,0,0,1,0,0|2,0,1]=4 1129 B6R1.2 C=C1CCCC1 MCULE-4115373196 [0,0,0,1,0,0|3,0,0]=4 1130 B6R1.2 CC1=CCCC1 MCULE-8508688474 [0,0,0,1,0,0|3,0,0]=4 1131 B6R1.2 CC1=CCCO1 MCULE-7276659214 [0,0,0,1,0,0|2,1,0]=4 1132 B6R1.2 CC1=NC=CS1 MCULE-6863408892 [0,0,0,1,0,0|1,0,2]=4 1133 B6R1.2 CC1=NCCC1 MCULE-5009170423 [0,0,0,1,0,0|2,0,0]=3 1134 B6R1.2 CC1=NCCN1 MCULE-4787238872 [0,0,0,1,0,0|2,0,0]=3 1135 B6R1.2 CC1=NCCO1 MCULE-8564633040 [0,0,0,1,0,0|1,1,0]=3 1136 B6R1.2 CC1=NCCS1 MCULE-1701303405 [0,0,0,1,0,0|1,0,0]=2 1137 B6R1.2 CC1=NN=CS1 MCULE-5068390093 [0,0,0,1,0,0|2,0,1]=4 1138 B6R1.2 CC1=NNCC1 MCULE-1758510182 [0,0,0,1,0,0|3,0,0]=4 1139 B6R1.2 CC1CCCN1 MCULE-4853624560 [0,0,0,1,0,0|2,0,1]=4 1140 B6R1.2 CC1CCCN1 MCULE-5939948024 [0,0,0,1,0,0|2,0,1]=4 1141 B6R1.2 CC1CCCN1 MCULE-6020011445 [0,0,0,1,0,0|2,0,1]=4 1142 B6R1.2 CC1CCCN1 MCULE-7855346849 [0,0,0,1,0,0|2,0,1]=4 1143 B6R1.2 CC1CCCS1 MCULE-8372499972 [0,0,0,1,0,0|2,0,1]=4 1144 B6R1.2 CC1NCCS1 MCULE-8457840375 [0,0,0,1,0,0|1,0,1]=3 1145 B6R1.2 CC1SCCS1 MCULE-5011453273 [0,0,0,1,0,0|2,0,1]=4 1146 B6R1.2 C[C@@H]1CCCN1 MCULE-1038329474 [0,0,0,1,0,0|2,0,1]=4 1147 B6R1.2 C[C@@H]1CCCN1 MCULE-1829999308 [0,0,0,1,0,0|2,0,1]=4 1148 B6R1.2 C[C@@H]1CCCN1 MCULE-8644278041 [0,0,0,1,0,0|2,0,1]=4 1149 B6R1.2 C[C@@H]1CCCN1 MCULE-9243990647 [0,0,0,1,0,0|2,0,1]=4 1150 B6R1.2 C[C@H]1CCCN1 MCULE-2078024663 [0,0,0,1,0,0|2,0,1]=4 1151 B6R1.2 C[C@H]1CCCN1 MCULE-3113877345 [0,0,0,1,0,0|2,0,1]=4 1152 B6R1.2 C[C@H]1CCCN1 MCULE-3426869473 [0,0,0,1,0,0|2,0,1]=4 1153 B6R1.2 C[C@H]1CCCN1 MCULE-5093266679 [0,0,0,1,0,0|2,0,1]=4 1154 B6R1.2 ClC1=CCCC1 MCULE-7680993065 [0,0,0,1,0,0|3,0,0]=4 1155 B6R1.2 ClC1=NC=CS1 MCULE-6673458969 [0,0,0,1,0,0|1,0,2]=4 1156 B6R1.2 ClC1=NC=NS1 MCULE-5735905433 [0,0,0,1,0,0|2,0,1]=4 1157 B6R1.2 ClC1=NCCN1 MCULE-2043711677 [0,0,0,1,0,0|2,0,0]=3 1158 B6R1.2 ClC1=NCCN1 MCULE-2296476673 [0,0,0,1,0,0|2,0,0]=3 1159 B6R1.2 ClC1=NN=CS1 MCULE-4112899413 [0,0,0,1,0,0|2,0,1]=4 1160 B6R1.2 FC1=NC=CS1 MCULE-3710058771 [0,0,0,1,0,0|1,0,2]=4 1161 B6R1.2 F[C@H]1CCCN1 MCULE-8612757365 [0,0,0,1,0,0|2,0,1]=4 1162 B6R1.2 IC1=CCCC1 MCULE-5953451970 [0,0,0,1,0,0|3,0,0]=4 1163 B6R1.2 IC1=NC=CS1 MCULE-9500451238 [0,0,0,1,0,0|1,0,2]=4 1164 B6R1.2 IC1=NN=CS1 MCULE-6837444982 [0,0,0,1,0,0|2,0,1]=4 1165 B6R1.2 N=C1CCCS1 MCULE-4228855265 [0,0,0,1,0,0|1,0,0]=2 1166 B6R1.2 N=C1CCCS1 MCULE-7496124035 [0,0,0,1,0,0|1,0,0]=2 1167 B6R1.2 N=C1NCCN1 MCULE-4983030911 [0,0,0,1,0,0|1,0,0]=2 1168 B6R1.2 NC1=CC=CS1 MCULE-1649510352 [0,0,0,1,0,0|1,0,2]=4 1169 B6R1.2 NC1=CC=CS1 MCULE-9501271303 [0,0,0,1,0,0|1,0,2]=4 1170 B6R1.2 NC1=CC=NS1 MCULE-2159626770 [0,0,0,1,0,0|2,0,1]=4 1171 B6R1.2 NC1=CC=NS1 MCULE-8733584582 [0,0,0,1,0,0|2,0,1]=4 1172 B6R1.2 NC1=CCNN1 MCULE-1539779543 [0,0,0,1,0,0|2,0,1]=4 1173 B6R1.2 NC1=CCNN1 MCULE-3460056890 [0,0,0,1,0,0|2,0,1]=4 1174 B6R1.2 NC1=CCNN1 MCULE-5423983278 [0,0,0,1,0,0|2,0,1]=4 1175 B6R1.2 NC1=CN=CS1 MCULE-1239962681 [0,0,0,1,0,0|2,0,1]=4 1176 B6R1.2 NC1=CN=CS1 MCULE-3685342495 [0,0,0,1,0,0|2,0,1]=4 1177 B6R1.2 NC1=CN=CS1 MCULE-7122700564 [0,0,0,1,0,0|2,0,1]=4 1178 B6R1.2 NC1=CN=NS1 MCULE-6268554333 [0,0,0,1,0,0|3,0,0]=4 1179 B6R1.2 NC1=CNN=N1 MCULE-7644677669 [0,0,0,1,0,0|3,0,0]=4 1180 B6R1.2 NC1=COC=N1 MCULE-2511021171 [0,0,0,1,0,0|2,0,1]=4 1181 B6R1.2 NC1=COC=N1 MCULE-3099880728 [0,0,0,1,0,0|2,0,1]=4 1182 B6R1.2 NC1=CSC=N1 MCULE-3316985941 [0,0,0,1,0,0|2,0,1]=4 1183 B6R1.2 NC1=CSC=N1 MCULE-4767298680 [0,0,0,1,0,0|2,0,1]=4 1184 B6R1.2 NC1=CSN=N1 MCULE-1480804799 [0,0,0,1,0,0|3,0,0]=4 1185 B6R1.2 NC1=CSN=N1 MCULE-7870927492 [0,0,0,1,0,0|3,0,0]=4 1186 B6R1.2 NC1=NC=CN1 MCULE-4937045321 [0,0,0,1,0,0|1,0,2]=4 1187 B6R1.2 NC1=NC=CN1 MCULE-6371804569 [0,0,0,1,0,0|1,0,2]=4 1188 B6R1.2 NC1=NC=CN1 MCULE-7485953374 [0,0,0,1,0,0|1,0,2]=4 1189 B6R1.2 NC1=NC=CN1 MCULE-9607974759 [0,0,0,1,0,0|1,0,2]=4 1190 B6R1.2 NC1=NC=CO1 MCULE-7316590930 [0,0,0,1,0,0|0,1,2]=4 1191 B6R1.2 NC1=NC=CS1 MCULE-1506905792 [0,0,0,1,0,0|0,0,2]=3 1192 B6R1.2 NC1=NC=CS1 MCULE-8550608343 [0,0,0,1,0,0|0,0,2]=3 1193 B6R1.2 NC1=NC=NN1 MCULE-6203622976 [0,0,0,1,0,0|2,0,1]=4 1194 B6R1.2 NC1=NC=NS1 MCULE-3141910287 [0,0,0,1,0,0|1,0,1]=3 1195 B6R1.2 NC1=NC=NS1 MCULE-3929641571 [0,0,0,1,0,0|1,0,1]=3 1196 B6R1.2 NC1=NC=NS1 MCULE-8660230269 [0,0,0,1,0,0|1,0,1]=3 1197 B6R1.2 NC1=NCCC1 MCULE-6089369366 [0,0,0,1,0,0|1,0,0]=2 1198 B6R1.2 NC1=NCCC1 MCULE-8979618464 [0,0,0,1,0,0|1,0,0]=2 1199 B6R1.2 NC1=NCCN1 MCULE-1788173657 [0,0,0,1,0,0|1,0,0]=2 1200 B6R1.2 NC1=NCCN1 MCULE-9804694628 [0,0,0,1,0,0|1,0,0]=2 1201 B6R1.2 NC1=NCCO1 MCULE-1257431295 [0,0,0,1,0,0|0,1,0]=2 1202 B6R1.2 NC1=NCCO1 MCULE-9912511107 [0,0,0,1,0,0|0,1,0]=2 1203 B6R1.2 NC1=NCCS1 MCULE-3397143190 [0,0,0,1,0,0|0,0,0]=1 1204 B6R1.2 NC1=NCCS1 MCULE-9466856269 [0,0,0,1,0,0|0,0,0]=1 1205 B6R1.2 NC1=NCCS1 MCULE-9984008966 [0,0,0,1,0,0|0,0,0]=1 1206 B6R1.2 NC1=NN=CO1 MCULE-9653146681 [0,0,0,1,0,0|1,1,1]=4 1207 B6R1.2 NC1=NN=CS1 MCULE-5171141908 [0,0,0,1,0,0|1,0,1]=3 1208 B6R1.2 NC1=NN=NN1 MCULE-4162497867 [0,0,0,1,0,0|3,0,0]=4 1209 B6R1.2 NC1=NN=NS1 MCULE-2301798521 [0,0,0,1,0,0|2,0,0]=3 1210 B6R1.2 NC1=NNC=C1 MCULE-1507683823 [0,0,0,1,0,0|2,0,1]=4 1211 B6R1.2 NC1=NNC=C1 MCULE-5117516307 [0,0,0,1,0,0|2,0,1]=4 1212 B6R1.2 NC1=NNC=C1 MCULE-7091290697 [0,0,0,1,0,0|2,0,1]=4 1213 B6R1.2 NC1=NNCC1 MCULE-4665265929 [0,0,0,1,0,0|2,0,0]=3 1214 B6R1.2 NC1=NNN=C1 MCULE-4268197612 [0,0,0,1,0,0|3,0,0]=4 1215 B6R1.2 NC1=NOC=C1 MCULE-5363092492 [0,0,0,1,0,0|2,0,1]=4 1216 B6R1.2 NC1=NOC=N1 MCULE-1140308393 [0,0,0,1,0,0|2,0,1]=4 1217 B6R1.2 NC1=NOCC1 MCULE-4971355735 [0,0,0,1,0,0|2,0,0]=3 1218 B6R1.2 NC1=NON=C1 MCULE-1928445544 [0,0,0,1,0,0|3,0,0]=4 1219 B6R1.2 NC1=NSC=C1 MCULE-2731864153 [0,0,0,1,0,0|2,0,1]=4 1220 B6R1.2 NC1=NSC=C1 MCULE-4778941442 [0,0,0,1,0,0|2,0,1]=4 1221 B6R1.2 NC1=NSC=N1 MCULE-1210037167 [0,0,0,1,0,0|2,0,1]=4 1222 B6R1.2 NC1=NSN=C1 MCULE-5043071924 [0,0,0,1,0,0|3,0,0]=4 1223 B6R1.2 NC1=NSN=C1 MCULE-5186512230 [0,0,0,1,0,0|3,0,0]=4 1224 B6R1.2 NC1CCCC1 MCULE-2292038009 [0,0,0,1,0,0|2,0,1]=4 1225 B6R1.2 NN1CCCC1 MCULE-1562593919 [0,0,0,1,0,0|3,0,0]=4 1226 B6R1.2 NN1CCCC1 MCULE-2311855036 [0,0,0,1,0,0|3,0,0]=4 1227 B6R1.2 NN1CCCC1 MCULE-5484008222 [0,0,0,1,0,0|3,0,0]=4 1228 B6R1.2 O=C1C=CCN1 MCULE-4338701003 [0,0,0,1,0,0|2,0,1]=4 1229 B6R1.2 O=C1C=CCS1 MCULE-5623095583 [0,0,0,1,0,0|2,0,1]=4 1230 B6R1.2 O=C1CCCC1 MCULE-9455227735 [0,0,0,1,0,0|3,0,0]=4 1231 B6R1.2 O=C1CCCN1 MCULE-3061780794 [0,0,0,1,0,0|2,0,0]=3 1232 B6R1.2 O=C1CCCO1 MCULE-6795890265 [0,0,0,1,0,0|2,1,0]=4 1233 B6R1.2 O=C1CCCS1 MCULE-5361654550 [0,0,0,1,0,0|2,0,0]=3 1234 B6R1.2 O=C1CCNN1 MCULE-7030953666 [0,0,0,1,0,0|3,0,0]=4 1235 B6R1.2 O=C1CCON1 MCULE-6799359324 [0,0,0,1,0,0|3,0,0]=4 1236 B6R1.2 O=C1CC[NH2+]N1 MCULE-5327505055 [0,0,0,1,0,0|3,0,0]=4 1237 B6R1.2 O=C1CNCN1 MCULE-2645891847 [0,0,0,1,0,0|3,0,0]=4 1238 B6R1.2 O=C1CNCN1 MCULE-9269137129 [0,0,0,1,0,0|3,0,0]=4 1239 B6R1.2 O=C1CSCN1 MCULE-3946660854 [0,0,0,1,0,0|3,0,0]=4 1240 B6R1.2 O=C1NC=CS1 MCULE-2039347995 [0,0,0,1,0,0|1,0,2]=4 1241 B6R1.2 O=C1NCCN1 MCULE-9806791551 [0,0,0,1,0,0|2,0,0]=3 1242 B6R1.2 O=C1NCCO1 MCULE-3934923008 [0,0,0,1,0,0|1,1,0]=3 1243 B6R1.2 O=C1NCCS1 MCULE-6732478086 [0,0,0,1,0,0|1,0,0]=2 1244 B6R1.2 O=C1OCCO1 MCULE-9493253045 [0,0,0,1,0,0|2,1,0]=4 1245 B6R1.2 OC1=NN=CS1 MCULE-9934931556 [0,0,0,1,0,0|2,0,1]=4 1246 B6R1.2 OC1CCCN1 MCULE-4787168972 [0,0,0,1,0,0|2,0,1]=4 1247 B6R1.2 S=C1CCCN1 MCULE-1089290822 [0,0,0,1,0,0|2,0,0]=3 1248 B6R1.2 S=C1NCCN1 MCULE-3300710815 [0,0,0,1,0,0|2,0,0]=3 1249 B6R1.2 S=C1SCCS1 MCULE-3003900032 [0,0,0,1,0,0|2,0,0]=3 1250 B6R1.2 SC1=NC=CS1 MCULE-4142949987 [0,0,0,1,0,0|1,0,2]=4 1251 B6R1.2 SC1=NCCO1 MCULE-6684545723 [0,0,0,1,0,0|1,1,0]=3 1252 B6R1.2 SC1=NCCS1 MCULE-6840772268 [0,0,0,1,0,0|1,0,0]=2 1253 B6R1.2 SC1=NN=CS1 MCULE-7722306009 [0,0,0,1,0,0|2,0,1]=4 1254 B6R1.5 CC1CC(=O)C1 MCULE-2159393653 [0,0,0,1,0,0|3,0,0]=4 1255 B6R1.5 CC1CC(=O)N1 MCULE-6139592633 [0,0,0,1,0,0|2,0,0]=3 1256 B6R1.5 CC1CC(=O)O1 MCULE-9285847382 [0,0,0,1,0,0|2,1,0]=4 1257 B6R1.5 CC1CC(C1)N MCULE-5323299846 [0,0,0,1,0,0|2,0,1]=4 1258 B6R1.5 CC1CC(C1)N MCULE-9940885824 [0,0,0,1,0,0|2,0,1]=4 1259 B6R1.5 CC1CC(N1)C MCULE-2112479012 [0,0,0,1,0,0|2,0,1]=4 1260 B6R1.5 CC1CC(N1)C MCULE-4224653730 [0,0,0,1,0,0|2,0,1]=4 1261 B6R1.5 C[C@@H]1CC(=O)O1 MCULE-3257475519 [0,0,0,1,0,0|2,1,0]=4 1262 B6R1.5 C[C@@H]1C[C@H](N1)C MCULE-1994890312 [0,0,0,1,0,0|2,0,1]=4 1263 B6R1.5 C[C@@H]1C[C@H](N1)C MCULE-7235151096 [0,0,0,1,0,0|2,0,1]=4 1264 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-1535311916 [0,0,0,1,0,0|2,0,1]=4 1265 B6R1.5 C[C@H]1C[C@@H](C1)N MCULE-2831484375 [0,0,0,1,0,0|2,0,1]=4 1266 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-4062075526 [0,0,0,1,0,0|2,0,1]=4 1267 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-8779826872 [0,0,0,1,0,0|2,0,1]=4 1268 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-9842353775 [0,0,0,1,0,0|2,0,1]=4 1269 B6R1.5 C[C@H]1C[C@@H](N1)C MCULE-9945333960 [0,0,0,1,0,0|2,0,1]=4 1270 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-7323273959 [0,0,0,1,0,0|2,0,1]=4 1271 B6R1.5 C[C@H]1C[C@H](C1)N MCULE-9517005721 [0,0,0,1,0,0|2,0,1]=4 1272 B6R1.5 C[C@H]1C[C@H](N1)C MCULE-1014047015 [0,0,0,1,0,0|2,0,1]=4 1273 B6R1.5 C[C@H]1C[C@H](N1)C MCULE-9280852387 [0,0,0,1,0,0|2,0,1]=4 1274 B6R1.8 CCC1CC1N MCULE-6304873051 [0,0,0,1,0,0|2,0,1]=4 1275 B6R1.8 CC[C@@H]1C[C@@H]1N MCULE-9218626187 [0,0,0,1,0,0|2,0,1]=4 1276 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-5365117215 [0,0,0,1,0,0|2,0,1]=4 1277 B6R1.8 CC[C@@H]1C[C@H]1N MCULE-9993971387 [0,0,0,1,0,0|2,0,1]=4 1278 B6R1.8 CC[C@H]1C[C@@H]1N MCULE-5971477946 [0,0,0,1,0,0|2,0,1]=4 1279 B6R1.8 CC[C@H]1C[C@H]1N MCULE-4387456908 [0,0,0,1,0,0|2,0,1]=4 1280 B6R1.9 CC1CC1(C)N MCULE-2748884505 [0,0,0,1,0,0|2,0,1]=4 1281 B6R1.9 CC1CC1(C)N MCULE-6309103404 [0,0,0,1,0,0|2,0,1]=4 1282 B6R1.10 CC1(CCC1)N MCULE-1932351179 [0,0,0,1,0,0|2,0,1]=4 1283 B6R1.10 CC1(CCC1)N MCULE-9177696302 [0,0,0,1,0,0|2,0,1]=4 1284 B6R1.10 N=S1(=O)CCC1 MCULE-7690864417 [0,0,0,1,0,0|3,0,0]=4 1285 B6R1.11 CC(=O)C1CC1 MCULE-3846146416 [0,0,0,1,0,0|3,0,0]=4 1286 B6R1.11 CC(N)C1CC1 MCULE-2052303800 [0,0,0,1,0,0|2,0,1]=4 1287 B6R1.11 CC(N)C1CC1 MCULE-3007763115 [0,0,0,1,0,0|2,0,1]=4 1288 B6R1.11 CC(N)C1CC1 MCULE-3459276996 [0,0,0,1,0,0|2,0,1]=4 1289 B6R1.11 CC(N)C1CC1 MCULE-6761961556 [0,0,0,1,0,0|2,0,1]=4 1290 B6R1.11 CN(N)C1CC1 MCULE-4590166937 [0,0,0,1,0,0|3,0,0]=4 1291 B6R1.11 CN(N)C1CC1 MCULE-7317282450 [0,0,0,1,0,0|3,0,0]=4 1292 B6R1.11 C[C@@H](N)C1CC1 MCULE-2097889079 [0,0,0,1,0,0|2,0,1]=4 1293 B6R1.11 C[C@@H](N)C1CC1 MCULE-3667125695 [0,0,0,1,0,0|2,0,1]=4 1294 B6R1.11 C[C@@H](N)C1CC1 MCULE-4529741221 [0,0,0,1,0,0|2,0,1]=4 1295 B6R1.11 C[C@@H](N)C1CC1 MCULE-4996656085 [0,0,0,1,0,0|2,0,1]=4 1296 B6R1.11 C[C@H](N)C1CC1 MCULE-5080052640 [0,0,0,1,0,0|2,0,1]=4 1297 B6R1.11 C[C@H](N)C1CC1 MCULE-8331040870 [0,0,0,1,0,0|2,0,1]=4 1298 B6R1.11 C[C@H](N)C1CC1 MCULE-8367240790 [0,0,0,1,0,0|2,0,1]=4 1299 B6R1.11 C[C@H](N)C1CC1 MCULE-8726268701 [0,0,0,1,0,0|2,0,1]=4 1300 B6R1.11 N=C(N)C1CC1 MCULE-1244673727 [0,0,0,1,0,0|1,0,0]=2 1301 B6R1.11 N=C(N)C1CC1 MCULE-2494860413 [0,0,0,1,0,0|1,0,0]=2 1302 B6R1.11 NC(=O)C1CC1 MCULE-9911054913 [0,0,0,1,0,0|2,0,0]=3 1303 B6R1.11 NC(=O)C1CO1 MCULE-6911744868 [0,0,0,1,0,0|3,0,0]=4 1304 B6R1.11 NC(=S)C1CC1 MCULE-7304936539 [0,0,0,1,0,0|2,0,0]=3 1305 B6R1.11 O=C(Cl)C1CC1 MCULE-8675746452 [0,0,0,1,0,0|3,0,0]=4 1306 B6R1.11 O=C(O)C1CC1 MCULE-4677373694 [0,0,0,1,0,0|3,0,0]=4 1307 B3R0.1 C#CCC MCULE-8090253856 [2,0,0,0,0,0|1,0,1]=4 1308 B3R0.1 C/C=C/Br MCULE-4076369660 [2,0,0,0,0,0|1,0,1]=4 1309 B3R0.1 C=CCBr MCULE-9486454833 [2,0,0,0,0,0|2,0,0]=4 1310 B3R0.1 C=CCC MCULE-8167907130 [2,0,0,0,0,0|1,0,0]=3 1311 B3R0.1 C=CCCl MCULE-4067772785 [2,0,0,0,0,0|2,0,0]=4 1312 B3R0.1 C=CCF MCULE-7783191980 [2,0,0,0,0,0|2,0,0]=4 1313 B3R0.1 C=CCI MCULE-5037698873 [2,0,0,0,0,0|2,0,0]=4 1314 B3R0.1 C=CCN MCULE-2424616806 [2,0,0,0,0,0|2,0,0]=4 1315 B3R0.1 C=CCN MCULE-2473480946 [2,0,0,0,0,0|2,0,0]=4 1316 B3R0.1 C=CCO MCULE-2145308838 [2,0,0,0,0,0|2,0,0]=4 1317 B3R0.1 C=CCS MCULE-7270484838 [2,0,0,0,0,0|2,0,0]=4 1318 B3R0.1 C=COC MCULE-4880746684 [2,0,0,0,0,0|1,1,0]=4 1319 B3R0.1 CC=CBr MCULE-2098755460 [2,0,0,0,0,0|1,0,1]=4 1320 B3R0.1 CC=CCl MCULE-9225887510 [2,0,0,0,0,0|1,0,1]=4 1321 B3R0.1 CCC#N MCULE-9484970536 [2,0,0,0,0,0|0,0,2]=4 1322 B3R0.1 CCC=O MCULE-4079744837 [2,0,0,0,0,0|1,0,0]=3 1323 B3R0.1 CCCBr MCULE-2393970713 [2,0,0,0,0,0|1,0,1]=4 1324 B3R0.1 CCCC MCULE-9760497805 [2,0,0,0,0,0|1,0,1]=4 1325 B3R0.1 CCCCl MCULE-3496412829 [2,0,0,0,0,0|1,0,1]=4 1326 B3R0.1 CCCF MCULE-8540338768 [2,0,0,0,0,0|1,0,1]=4 1327 B3R0.1 CCCI MCULE-1721488805 [2,0,0,0,0,0|1,0,1]=4 1328 B3R0.1 CCCN MCULE-2885523792 [2,0,0,0,0,0|0,0,1]=3 1329 B3R0.1 CCCN MCULE-4318907091 [2,0,0,0,0,0|0,0,1]=3 1330 B3R0.1 CCCN MCULE-6330457870 [2,0,0,0,0,0|0,0,1]=3 1331 B3R0.1 CCCN MCULE-7146820007 [2,0,0,0,0,0|0,0,1]=3 1332 B3R0.1 CCCO MCULE-6252105126 [2,0,0,0,0,0|1,0,1]=4 1333 B3R0.1 CCCS MCULE-8267649092 [2,0,0,0,0,0|1,0,1]=4 1334 B3R0.1 CCNC MCULE-7215376398 [2,0,0,0,0,0|1,0,1]=4 1335 B3R0.1 CCNC MCULE-9811899205 [2,0,0,0,0,0|1,0,1]=4 1336 B3R0.1 CCNN MCULE-4753127904 [2,0,0,0,0,0|1,0,0]=3 1337 B3R0.1 CCNN MCULE-7630363192 [2,0,0,0,0,0|1,0,0]=3 1338 B3R0.1 CCNN MCULE-8402230944 [2,0,0,0,0,0|1,0,0]=3 1339 B3R0.1 CCNO MCULE-1215586669 [2,0,0,0,0,0|2,0,0]=4 1340 B3R0.1 CCNO MCULE-7075818857 [2,0,0,0,0,0|2,0,0]=4 1341 B3R0.1 CCON MCULE-5316082054 [2,0,0,0,0,0|0,1,0]=3 1342 B3R0.1 CCON MCULE-6621418839 [2,0,0,0,0,0|0,1,0]=3 1343 B3R0.1 CCO[NH3+] MCULE-7670481464 [2,0,0,0,0,0|0,1,1]=4 1344 B3R0.1 CCO[NH3+] MCULE-7871083232 [2,0,0,0,0,0|0,1,1]=4 1345 B3R0.1 CCSC MCULE-6944750263 [2,0,0,0,0,0|0,0,1]=3 1346 B3R0.1 CNC=O MCULE-4739122677 [2,0,0,0,0,0|2,0,0]=4 1347 B3R0.1 CNC=S MCULE-1018523469 [2,0,0,0,0,0|2,0,0]=4 1348 B3R0.1 COC=O MCULE-9122749354 [2,0,0,0,0,0|1,1,0]=4 1349 B3R0.1 CSC#N MCULE-3677411130 [2,0,0,0,0,0|0,0,2]=4 1350 B3R0.1 CSCCl MCULE-1281800596 [2,0,0,0,0,0|1,0,1]=4 1351 B3R0.1 CSSC MCULE-7451882535 [2,0,0,0,0,0|1,0,1]=4 1352 B3R0.1 N/C=N/O MCULE-9567664507 [2,0,0,0,0,0|2,0,0]=4 1353 B3R0.1 NCCBr MCULE-3401124597 [2,0,0,0,0,0|1,0,1]=4 1354 B3R0.1 NCCBr MCULE-6215378497 [2,0,0,0,0,0|1,0,1]=4 1355 B3R0.1 NCCCl MCULE-1458699843 [2,0,0,0,0,0|1,0,1]=4 1356 B3R0.1 NCCCl MCULE-6944306112 [2,0,0,0,0,0|1,0,1]=4 1357 B3R0.1 NCCF MCULE-1670520169 [2,0,0,0,0,0|1,0,1]=4 1358 B3R0.1 NCCF MCULE-4963351029 [2,0,0,0,0,0|1,0,1]=4 1359 B3R0.1 NCCI MCULE-6905308399 [2,0,0,0,0,0|1,0,1]=4 1360 B3R0.1 NCCI MCULE-7487764362 [2,0,0,0,0,0|1,0,1]=4 1361 B3R0.1 NCCN MCULE-4740333723 [2,0,0,0,0,0|1,0,1]=4 1362 B3R0.1 NCCN MCULE-6795272853 [2,0,0,0,0,0|1,0,1]=4 1363 B3R0.1 NCCN MCULE-8304126024 [2,0,0,0,0,0|1,0,1]=4 1364 B3R0.1 NCCN MCULE-8325612144 [2,0,0,0,0,0|1,0,1]=4 1365 B3R0.1 NCCO MCULE-5175116598 [2,0,0,0,0,0|1,0,1]=4 1366 B3R0.1 NCCO MCULE-8624730373 [2,0,0,0,0,0|1,0,1]=4 1367 B3R0.1 NCCS MCULE-1838427828 [2,0,0,0,0,0|1,0,1]=4 1368 B3R0.1 NCCS MCULE-2418938683 [2,0,0,0,0,0|1,0,1]=4 1369 B3R0.1 O=CCBr MCULE-9076011270 [2,0,0,0,0,0|2,0,0]=4 1370 B3R0.1 O=CCCl MCULE-7307216184 [2,0,0,0,0,0|2,0,0]=4 1371 B3R0.1 O=CCI MCULE-1146810366 [2,0,0,0,0,0|2,0,0]=4 1372 B3R0.2 C=C(C)Br MCULE-7805530064 [2,0,0,0,0,0|2,0,0]=4 1373 B3R0.2 C=C(C)C MCULE-5640095130 [2,0,0,0,0,0|2,0,0]=4 1374 B3R0.2 C=C(C)Cl MCULE-1752401095 [2,0,0,0,0,0|2,0,0]=4 1375 B3R0.2 C=C(C)F MCULE-3213198231 [2,0,0,0,0,0|2,0,0]=4 1376 B3R0.2 CC(=N)N MCULE-3235425606 [2,0,0,0,0,0|0,0,0]=2 1377 B3R0.2 CC(=N)N MCULE-3546679379 [2,0,0,0,0,0|0,0,0]=2 1378 B3R0.2 CC(=N)N MCULE-3597638887 [2,0,0,0,0,0|0,0,0]=2 1379 B3R0.2 CC(=N)N MCULE-9831274654 [2,0,0,0,0,0|0,0,0]=2 1380 B3R0.2 CC(=O)Br MCULE-4892265063 [2,0,0,0,0,0|2,0,0]=4 1381 B3R0.2 CC(=O)C MCULE-6679625040 [2,0,0,0,0,0|2,0,0]=4 1382 B3R0.2 CC(=O)Cl MCULE-9041746362 [2,0,0,0,0,0|2,0,0]=4 1383 B3R0.2 CC(=O)I MCULE-4812718701 [2,0,0,0,0,0|2,0,0]=4 1384 B3R0.2 CC(=O)N MCULE-9280264861 [2,0,0,0,0,0|1,0,0]=3 1385 B3R0.2 CC(=O)O MCULE-1502330578 [2,0,0,0,0,0|2,0,0]=4 1386 B3R0.2 CC(=O)O MCULE-5514028500 [2,0,0,0,0,0|2,0,0]=4 1387 B3R0.2 CC(=O)O MCULE-5942589566 [2,0,0,0,0,0|2,0,0]=4 1388 B3R0.2 CC(=O)O MCULE-6780070129 [2,0,0,0,0,0|2,0,0]=4 1389 B3R0.2 CC(=O)O MCULE-8295936189 [2,0,0,0,0,0|2,0,0]=4 1390 B3R0.2 CC(=O)O MCULE-9103972283 [2,0,0,0,0,0|2,0,0]=4 1391 B3R0.2 CC(=O)O MCULE-9900518424 [2,0,0,0,0,0|2,0,0]=4 1392 B3R0.2 CC(=O)S MCULE-5769447035 [2,0,0,0,0,0|2,0,0]=4 1393 B3R0.2 CC(=O)[O-] MCULE-2314460022 [2,0,0,0,0,0|2,0,0]=4 1394 B3R0.2 CC(=O)[O-] MCULE-2960771771 [2,0,0,0,0,0|2,0,0]=4 1395 B3R0.2 CC(=O)[O-] MCULE-5334052410 [2,0,0,0,0,0|2,0,0]=4 1396 B3R0.2 CC(=O)[O-] MCULE-5482908386 [2,0,0,0,0,0|2,0,0]=4 1397 B3R0.2 CC(=O)[O-] MCULE-9723570182 [2,0,0,0,0,0|2,0,0]=4 1398 B3R0.2 CC(=O)[O-] MCULE-9910426896 [2,0,0,0,0,0|2,0,0]=4 1399 B3R0.2 CC(=S)N MCULE-4635097605 [2,0,0,0,0,0|1,0,0]=3 1400 B3R0.2 CC(=S)[O-] MCULE-1878530758 [2,0,0,0,0,0|2,0,0]=4 1401 B3R0.2 CC(C)N MCULE-1048799006 [2,0,0,0,0,0|1,0,1]=4 1402 B3R0.2 CC(C)N MCULE-1125416142 [2,0,0,0,0,0|1,0,1]=4 1403 B3R0.2 CC(C)N MCULE-2418429353 [2,0,0,0,0,0|1,0,1]=4 1404 B3R0.2 CC(C)N MCULE-7280647435 [2,0,0,0,0,0|1,0,1]=4 1405 B3R0.2 CN(C)N MCULE-7177216911 [2,0,0,0,0,0|2,0,0]=4 1406 B3R0.2 CN(C)N MCULE-8775366011 [2,0,0,0,0,0|2,0,0]=4 1407 B3R0.2 CS(=O)N MCULE-5162949591 [2,0,0,0,0,0|2,0,0]=4 1408 B3R0.2 N=C(N)Cl MCULE-4764134011 [2,0,0,0,0,0|1,0,0]=3 1409 B3R0.2 N=C(N)Cl MCULE-7852054677 [2,0,0,0,0,0|1,0,0]=3 1410 B3R0.2 N=C(N)N MCULE-1152750770 [2,0,0,0,0,0|1,0,0]=3 1411 B3R0.2 N=C(N)N MCULE-1411566696 [2,0,0,0,0,0|1,0,0]=3 1412 B3R0.2 N=C(N)N MCULE-4266731066 [2,0,0,0,0,0|1,0,0]=3 1413 B3R0.2 N=C(N)N MCULE-5921771392 [2,0,0,0,0,0|1,0,0]=3 1414 B3R0.2 N=C(N)N MCULE-6036914599 [2,0,0,0,0,0|1,0,0]=3 1415 B3R0.2 N=C(N)N MCULE-6164013415 [2,0,0,0,0,0|1,0,0]=3 1416 B3R0.2 N=C(N)N MCULE-9649225484 [2,0,0,0,0,0|1,0,0]=3 1417 B3R0.2 NC(=O)N MCULE-3224868954 [2,0,0,0,0,0|0,1,1]=4 1418 B3R0.2 NC(=O)N MCULE-8513891094 [2,0,0,0,0,0|0,1,1]=4 1419 B3R0.2 NC(=O)O MCULE-1579038047 [2,0,0,0,0,0|1,1,0]=4 1420 B3R0.2 NC(=O)O MCULE-3232812015 [2,0,0,0,0,0|1,1,0]=4 1421 B3R0.2 NC(=S)N MCULE-5046264236 [2,0,0,0,0,0|0,0,2]=4 1422 B3R0.2 NC(=S)S MCULE-6182511253 [2,0,0,0,0,0|1,0,0]=3 1423 B3R0.2 NC(=S)[S-] MCULE-1680327465 [2,0,0,0,0,0|1,0,1]=4 1424 B3R0.2 NC(=[Se])N MCULE-3936244532 [2,0,0,0,0,0|0,1,1]=4 1425 B5R0.3 C#CC(=O)CC MCULE-1563732373 [1,1,0,0,0,0|2,0,0]=4 1426 B5R0.3 C#CC(N)CC MCULE-2327605941 [1,1,0,0,0,0|1,0,1]=4 1427 B5R0.3 C#CC(N)CC MCULE-3572771620 [1,1,0,0,0,0|1,0,1]=4 1428 B5R0.3 C/C=C(/C)\CC MCULE-9789907985 [1,1,0,0,0,0|2,0,0]=4 1429 B5R0.3 C/C=C(\C)/CC MCULE-7119786881 [1,1,0,0,0,0|2,0,0]=4 1430 B5R0.3 C/N=C(\N)/SC MCULE-1114021101 [1,1,0,0,0,0|0,0,0]=2 1431 B5R0.3 C/N=C(\N)/SC MCULE-4249574209 [1,1,0,0,0,0|0,0,0]=2 1432 B5R0.3 C=C(C=O)CC MCULE-2875154067 [1,1,0,0,0,0|2,0,0]=4 1433 B5R0.3 C=C(CC)CBr MCULE-1652422688 [1,1,0,0,0,0|2,0,0]=4 1434 B5R0.3 C=C(CC)CC MCULE-9174509622 [1,1,0,0,0,0|2,0,0]=4 1435 B5R0.3 C=C(CC)CN MCULE-2269385026 [1,1,0,0,0,0|1,0,0]=3 1436 B5R0.3 C=C(CC)CN MCULE-3033447984 [1,1,0,0,0,0|1,0,0]=3 1437 B5R0.3 C=C(CC)CO MCULE-8127766352 [1,1,0,0,0,0|2,0,0]=4 1438 B5R0.3 C=C(CN)CN MCULE-5063132725 [1,1,0,0,0,0|2,0,0]=4 1439 B5R0.3 C=C(SC)SC MCULE-8497326619 [1,1,0,0,0,0|2,0,0]=4 1440 B5R0.3 C=CC(=O)CC MCULE-7277696617 [1,1,0,0,0,0|2,0,0]=4 1441 B5R0.3 C=CC(N)CC MCULE-6270835453 [1,1,0,0,0,0|1,0,1]=4 1442 B5R0.3 C=CC(N)CC MCULE-7920121163 [1,1,0,0,0,0|1,0,1]=4 1443 B5R0.3 CC(=NO)CS MCULE-9694340512 [1,1,0,0,0,0|2,0,0]=4 1444 B5R0.3 CC/C(=N/O)/C MCULE-9139048973 [1,1,0,0,0,0|1,0,0]=3 1445 B5R0.3 CC/C(=N/O)/N MCULE-2794748611 [1,1,0,0,0,0|0,0,0]=2 1446 B5R0.3 CC/C(=N/O)/N MCULE-7162577220 [1,1,0,0,0,0|0,0,0]=2 1447 B5R0.3 CC=C(C)CC MCULE-5790494157 [1,1,0,0,0,0|2,0,0]=4 1448 B5R0.3 CCC(=N)OC MCULE-4123543795 [1,1,0,0,0,0|1,0,0]=3 1449 B5R0.3 CCC(=N)OC MCULE-5346320805 [1,1,0,0,0,0|1,0,0]=3 1450 B5R0.3 CCC(=NO)C MCULE-1859652505 [1,1,0,0,0,0|1,0,0]=3 1451 B5R0.3 CCC(=O)CBr MCULE-7825573294 [1,1,0,0,0,0|2,0,0]=4 1452 B5R0.3 CCC(=O)CC MCULE-8236549739 [1,1,0,0,0,0|2,0,0]=4 1453 B5R0.3 CCC(=O)CCl MCULE-9019890380 [1,1,0,0,0,0|2,0,0]=4 1454 B5R0.3 CCC(=O)CN MCULE-1863418812 [1,1,0,0,0,0|1,0,0]=3 1455 B5R0.3 CCC(=O)CN MCULE-5831164340 [1,1,0,0,0,0|1,0,0]=3 1456 B5R0.3 CCC(=O)CO MCULE-8674894820 [1,1,0,0,0,0|2,0,0]=4 1457 B5R0.3 CCC(=O)NC MCULE-5612060170 [1,1,0,0,0,0|1,0,0]=3 1458 B5R0.3 CCC(=O)NN MCULE-1803705917 [1,1,0,0,0,0|1,0,0]=3 1459 B5R0.3 CCC(=O)NO MCULE-1033164448 [1,1,0,0,0,0|1,0,0]=3 1460 B5R0.3 CCC(=O)OC MCULE-7384824725 [1,1,0,0,0,0|2,0,0]=4 1461 B5R0.3 CCC(=O)SC MCULE-9712192191 [1,1,0,0,0,0|2,0,0]=4 1462 B5R0.3 CCC(C)CN MCULE-2777327284 [1,1,0,0,0,0|1,0,1]=4 1463 B5R0.3 CCC(C)CN MCULE-7014901600 [1,1,0,0,0,0|1,0,1]=4 1464 B5R0.3 CCC(C)NC MCULE-2676584804 [1,1,0,0,0,0|1,0,1]=4 1465 B5R0.3 CCC(C)NC MCULE-6158046887 [1,1,0,0,0,0|1,0,1]=4 1466 B5R0.3 CCC(C)NN MCULE-6074476998 [1,1,0,0,0,0|1,0,1]=4 1467 B5R0.3 CCC(C)NN MCULE-8130021960 [1,1,0,0,0,0|1,0,1]=4 1468 B5R0.3 CCC(C)NN MCULE-8519369369 [1,1,0,0,0,0|1,0,1]=4 1469 B5R0.3 CCC(C)NO MCULE-1247092627 [1,1,0,0,0,0|1,0,1]=4 1470 B5R0.3 CCC(C)NO MCULE-6169819668 [1,1,0,0,0,0|1,0,1]=4 1471 B5R0.3 CCC(C)ON MCULE-2907890438 [1,1,0,0,0,0|1,0,1]=4 1472 B5R0.3 CCC(C)ON MCULE-4364205813 [1,1,0,0,0,0|1,0,1]=4 1473 B5R0.3 CCC(F)CN MCULE-1291385596 [1,1,0,0,0,0|1,0,1]=4 1474 B5R0.3 CCC(F)CN MCULE-7421331323 [1,1,0,0,0,0|1,0,1]=4 1475 B5R0.3 CCC(N)C#N MCULE-1350483203 [1,1,0,0,0,0|0,0,2]=4 1476 B5R0.3 CCC(N)C#N MCULE-3867024162 [1,1,0,0,0,0|0,0,2]=4 1477 B5R0.3 CCC(N)CBr MCULE-3567691924 [1,1,0,0,0,0|1,0,1]=4 1478 B5R0.3 CCC(N)CC MCULE-4261937519 [1,1,0,0,0,0|1,0,1]=4 1479 B5R0.3 CCC(N)CC MCULE-5899128891 [1,1,0,0,0,0|1,0,1]=4 1480 B5R0.3 CCC(N)CN MCULE-6911484065 [1,1,0,0,0,0|0,0,2]=4 1481 B5R0.3 CCC(N)CN MCULE-8376506697 [1,1,0,0,0,0|0,0,2]=4 1482 B5R0.3 CCC(N)CO MCULE-1135809021 [1,1,0,0,0,0|1,0,1]=4 1483 B5R0.3 CCC(N)CO MCULE-7588854111 [1,1,0,0,0,0|1,0,1]=4 1484 B5R0.3 CCC(O)CN MCULE-5197026448 [1,1,0,0,0,0|1,0,1]=4 1485 B5R0.3 CCN(N)CC MCULE-9853386945 [1,1,0,0,0,0|2,0,0]=4 1486 B5R0.3 CCN(N)CC MCULE-9962617398 [1,1,0,0,0,0|2,0,0]=4 1487 B5R0.3 CC[C@@H](C)CN MCULE-7612408107 [1,1,0,0,0,0|1,0,1]=4 1488 B5R0.3 CC[C@@H](N)C#N MCULE-3696119254 [1,1,0,0,0,0|0,0,2]=4 1489 B5R0.3 CC[C@@H](N)C#N MCULE-5586041766 [1,1,0,0,0,0|0,0,2]=4 1490 B5R0.3 CC[C@@H](N)CO MCULE-3821348404 [1,1,0,0,0,0|1,0,1]=4 1491 B5R0.3 CC[C@@H](N)CO MCULE-7190248306 [1,1,0,0,0,0|1,0,1]=4 1492 B5R0.3 CC[C@@H](O)CN MCULE-2854535153 [1,1,0,0,0,0|1,0,1]=4 1493 B5R0.3 CC[C@@H](O)CN MCULE-8228547956 [1,1,0,0,0,0|1,0,1]=4 1494 B5R0.3 CC[C@H](C)CN MCULE-1380819951 [1,1,0,0,0,0|1,0,1]=4 1495 B5R0.3 CC[C@H](C)CN MCULE-1396096112 [1,1,0,0,0,0|1,0,1]=4 1496 B5R0.3 CC[C@H](C)CN MCULE-2971933862 [1,1,0,0,0,0|1,0,1]=4 1497 B5R0.3 CC[C@H](C)CN MCULE-3698084674 [1,1,0,0,0,0|1,0,1]=4 1498 B5R0.3 CC[C@H](N)C#N MCULE-4431283179 [1,1,0,0,0,0|0,0,2]=4 1499 B5R0.3 CC[C@H](N)C#N MCULE-8842235277 [1,1,0,0,0,0|0,0,2]=4 1500 B5R0.3 CC[C@H](N)CF MCULE-3646304583 [1,1,0,0,0,0|1,0,1]=4 1501 B5R0.3 CC[C@H](N)CF MCULE-4493834638 [1,1,0,0,0,0|1,0,1]=4 1502 B5R0.3 CC[C@H](N)CO MCULE-5500083870 [1,1,0,0,0,0|1,0,1]=4 1503 B5R0.3 CC[C@H](N)CO MCULE-6312512384 [1,1,0,0,0,0|1,0,1]=4 1504 B5R0.3 CC[C@H](O)CN MCULE-4385930741 [1,1,0,0,0,0|1,0,1]=4 1505 B5R0.3 CNC(=N)CO MCULE-3239749882 [1,1,0,0,0,0|1,0,0]=3 1506 B5R0.3 CNC(=N)NC MCULE-7703075263 [1,1,0,0,0,0|1,0,0]=3 1507 B5R0.3 CNC(=N)NN MCULE-4836793349 [1,1,0,0,0,0|1,0,0]=3 1508 B5R0.3 CNC(=N)NN MCULE-5998297944 [1,1,0,0,0,0|1,0,0]=3 1509 B5R0.3 CNC(=O)CBr MCULE-1439209307 [1,1,0,0,0,0|2,0,0]=4 1510 B5R0.3 CNC(=O)CCl MCULE-1437904095 [1,1,0,0,0,0|2,0,0]=4 1511 B5R0.3 CNC(=O)CI MCULE-1687694185 [1,1,0,0,0,0|2,0,0]=4 1512 B5R0.3 CNC(=O)CN MCULE-1901033297 [1,1,0,0,0,0|2,0,0]=4 1513 B5R0.3 CNC(=O)CN MCULE-8532774234 [1,1,0,0,0,0|2,0,0]=4 1514 B5R0.3 CNC(=O)CO MCULE-5899226107 [1,1,0,0,0,0|2,0,0]=4 1515 B5R0.3 CNC(=O)CS MCULE-7032391129 [1,1,0,0,0,0|2,0,0]=4 1516 B5R0.3 CNC(=O)NC MCULE-5319497155 [1,1,0,0,0,0|2,0,0]=4 1517 B5R0.3 CNC(=O)NN MCULE-2093843774 [1,1,0,0,0,0|2,0,0]=4 1518 B5R0.3 CNC(=O)OC MCULE-1162861376 [1,1,0,0,0,0|1,1,0]=4 1519 B5R0.3 CNC(=S)NC MCULE-7998520647 [1,1,0,0,0,0|2,0,0]=4 1520 B5R0.3 CNC(=S)NN MCULE-3762018607 [1,1,0,0,0,0|2,0,0]=4 1521 B5R0.3 COC(=N)CCl MCULE-2713131753 [1,1,0,0,0,0|1,1,0]=4 1522 B5R0.3 COC(=N)CCl MCULE-6471252676 [1,1,0,0,0,0|1,1,0]=4 1523 B5R0.3 COC(=O)CN MCULE-7462799100 [1,1,0,0,0,0|1,1,0]=4 1524 B5R0.3 COC(=O)CN MCULE-8887061469 [1,1,0,0,0,0|1,1,0]=4 1525 B5R0.3 COC(=O)NN MCULE-2637794839 [1,1,0,0,0,0|1,1,0]=4 1526 B5R0.3 COC(=S)NN MCULE-8717505617 [1,1,0,0,0,0|1,1,0]=4 1527 B5R0.3 COC(=S)SC MCULE-7665194168 [1,1,0,0,0,0|2,0,0]=4 1528 B5R0.3 CS/C(=N/O)/C MCULE-8496912522 [1,1,0,0,0,0|1,0,0]=3 1529 B5R0.3 CS/C(=N\N)/N MCULE-2245524081 [1,1,0,0,0,0|0,0,0]=2 1530 B5R0.3 CS/C(=N\N)/N MCULE-6241847719 [1,1,0,0,0,0|0,0,0]=2 1531 B5R0.3 CSC(=NO)C MCULE-1500524467 [1,1,0,0,0,0|1,0,0]=3 1532 B5R0.3 CSC(=O)SC MCULE-7167992573 [1,1,0,0,0,0|2,0,0]=4 1533 B5R0.3 CSC(=S)NN MCULE-2798461411 [1,1,0,0,0,0|1,0,0]=3 1534 B5R0.3 CSC(=S)SC MCULE-5023087703 [1,1,0,0,0,0|2,0,0]=4 1535 B5R0.3 CSC(C)CN MCULE-8841622109 [1,1,0,0,0,0|1,0,1]=4 1536 B5R0.3 N/C(=N/O)/CF MCULE-8149459701 [1,1,0,0,0,0|1,0,0]=3 1537 B5R0.3 N/C(=N/O)/CO MCULE-1684161600 [1,1,0,0,0,0|1,0,0]=3 1538 B5R0.3 N/C(=N\O)/CCl MCULE-4486676288 [1,1,0,0,0,0|1,0,0]=3 1539 B5R0.3 N=C(NN)NN MCULE-6449982700 [1,1,0,0,0,0|2,0,0]=4 1540 B5R0.3 N=C(NN)NN MCULE-8241596253 [1,1,0,0,0,0|2,0,0]=4 1541 B5R0.3 N=C(NN)NO MCULE-6419110297 [1,1,0,0,0,0|2,0,0]=4 1542 B5R0.3 NCC(=O)CN MCULE-2420991481 [1,1,0,0,0,0|2,0,0]=4 1543 B5R0.3 NCC(=O)CN MCULE-8626789745 [1,1,0,0,0,0|2,0,0]=4 1544 B5R0.3 NCC(=O)NN MCULE-2318099199 [1,1,0,0,0,0|2,0,0]=4 1545 B5R0.3 NCC(=O)NN MCULE-3392354502 [1,1,0,0,0,0|2,0,0]=4 1546 B5R0.3 NCC(=O)NO MCULE-5417617455 [1,1,0,0,0,0|2,0,0]=4 1547 B5R0.3 NNC(=O)CCl MCULE-2158347473 [1,1,0,0,0,0|2,0,0]=4 1548 B5R0.3 NNC(=O)CCl MCULE-9762553206 [1,1,0,0,0,0|2,0,0]=4 1549 B5R0.3 NNC(=O)CO MCULE-8443636349 [1,1,0,0,0,0|2,0,0]=4 1550 B5R0.3 NNC(=O)CS MCULE-4913925166 [1,1,0,0,0,0|2,0,0]=4 1551 B5R0.4 CCC(C)(C)N MCULE-5538333672 [1,1,0,0,0,0|1,0,1]=4 1552 B5R0.4 CCS(=N)(=O)C MCULE-6682726319 [1,1,0,0,0,0|2,0,0]=4 1553 B5R0.4 CCS(=O)(=O)N MCULE-4542844597 [1,1,0,0,0,0|2,0,0]=4 1554 B5R0.5 C=C(C)C(=O)N MCULE-3416322097 [1,1,0,0,0,0|1,0,1]=4 1555 B5R0.5 C=C(C)C(C)C MCULE-2535284443 [1,1,0,0,0,0|2,0,0]=4 1556 B5R0.5 C=C(C)C(C)Cl MCULE-5294924458 [1,1,0,0,0,0|2,0,0]=4 1557 B5R0.5 C=C(C)C(C)O MCULE-3768810742 [1,1,0,0,0,0|2,0,0]=4 1558 B5R0.5 CC(=O)C(=O)N MCULE-6804734996 [1,1,0,0,0,0|1,0,1]=4 1559 B5R0.5 CC(=O)C(=S)N MCULE-3142518834 [1,1,0,0,0,0|1,0,1]=4 1560 B5R0.5 CC(=O)C(C)Br MCULE-3764525199 [1,1,0,0,0,0|2,0,0]=4 1561 B5R0.5 CC(=O)C(C)C MCULE-5982732938 [1,1,0,0,0,0|2,0,0]=4 1562 B5R0.5 CC(=O)C(C)Cl MCULE-5065840606 [1,1,0,0,0,0|2,0,0]=4 1563 B5R0.5 CC(=O)C(C)F MCULE-2129925918 [1,1,0,0,0,0|2,0,0]=4 1564 B5R0.5 CC(=O)C(C)N MCULE-5716124999 [1,1,0,0,0,0|2,0,0]=4 1565 B5R0.5 CC(=O)C(C)N MCULE-9248002534 [1,1,0,0,0,0|2,0,0]=4 1566 B5R0.5 CC(=O)C(C)O MCULE-5374414264 [1,1,0,0,0,0|2,0,0]=4 1567 B5R0.5 CC(=O)C(C)S MCULE-2716722148 [1,1,0,0,0,0|2,0,0]=4 1568 B5R0.5 CC(=O)[C@H](C)N MCULE-2609095078 [1,1,0,0,0,0|2,0,0]=4 1569 B5R0.5 CC(=O)[C@H](C)N MCULE-6039921944 [1,1,0,0,0,0|2,0,0]=4 1570 B5R0.5 CC(=O)[C@H](C)N MCULE-6387613992 [1,1,0,0,0,0|2,0,0]=4 1571 B5R0.5 CC(=O)[C@H](C)N MCULE-7052375323 [1,1,0,0,0,0|2,0,0]=4 1572 B5R0.5 CC(Br)C(=O)Br MCULE-2400047844 [1,1,0,0,0,0|2,0,0]=4 1573 B5R0.5 CC(Br)C(=O)Cl MCULE-7431871683 [1,1,0,0,0,0|2,0,0]=4 1574 B5R0.5 CC(Br)C(=O)N MCULE-9226586148 [1,1,0,0,0,0|1,0,0]=3 1575 B5R0.5 CC(Br)C(=O)O MCULE-3935837943 [1,1,0,0,0,0|2,0,0]=4 1576 B5R0.5 CC(Br)C(=O)O MCULE-6068441065 [1,1,0,0,0,0|2,0,0]=4 1577 B5R0.5 CC(C)C(=N)N MCULE-2464075086 [1,1,0,0,0,0|0,0,0]=2 1578 B5R0.5 CC(C)C(=N)N MCULE-6743996580 [1,1,0,0,0,0|0,0,0]=2 1579 B5R0.5 CC(C)C(=O)Br MCULE-3679003896 [1,1,0,0,0,0|2,0,0]=4 1580 B5R0.5 CC(C)C(=O)Cl MCULE-6582236331 [1,1,0,0,0,0|2,0,0]=4 1581 B5R0.5 CC(C)C(=O)N MCULE-9773835068 [1,1,0,0,0,0|1,0,0]=3 1582 B5R0.5 CC(C)C(=O)O MCULE-7783770647 [1,1,0,0,0,0|2,0,0]=4 1583 B5R0.5 CC(C)C(=O)S MCULE-9552406593 [1,1,0,0,0,0|2,0,0]=4 1584 B5R0.5 CC(C)C(=S)N MCULE-3546856315 [1,1,0,0,0,0|1,0,0]=3 1585 B5R0.5 CC(C)C(C)N MCULE-1630754475 [1,1,0,0,0,0|1,0,1]=4 1586 B5R0.5 CC(C)C(C)N MCULE-1801901816 [1,1,0,0,0,0|1,0,1]=4 1587 B5R0.5 CC(C)C(C)N MCULE-3544463874 [1,1,0,0,0,0|1,0,1]=4 1588 B5R0.5 CC(C)C(C)N MCULE-4774844065 [1,1,0,0,0,0|1,0,1]=4 1589 B5R0.5 CC(C)S(=O)N MCULE-8425110407 [1,1,0,0,0,0|2,0,0]=4 1590 B5R0.5 CC(C)[C@@H](C)N MCULE-1953734886 [1,1,0,0,0,0|1,0,1]=4 1591 B5R0.5 CC(C)[C@@H](C)N MCULE-3105334197 [1,1,0,0,0,0|1,0,1]=4 1592 B5R0.5 CC(C)[C@@H](C)N MCULE-9470429569 [1,1,0,0,0,0|1,0,1]=4 1593 B5R0.5 CC(C)[C@H](C)N MCULE-2859174363 [1,1,0,0,0,0|1,0,1]=4 1594 B5R0.5 CC(C)[C@H](C)N MCULE-3034457659 [1,1,0,0,0,0|1,0,1]=4 1595 B5R0.5 CC(C)[C@H](C)N MCULE-5904658917 [1,1,0,0,0,0|1,0,1]=4 1596 B5R0.5 CC(Cl)C(=N)N MCULE-2357555185 [1,1,0,0,0,0|0,0,0]=2 1597 B5R0.5 CC(Cl)C(=N)N MCULE-5302250002 [1,1,0,0,0,0|0,0,0]=2 1598 B5R0.5 CC(Cl)C(=O)Cl MCULE-6547241717 [1,1,0,0,0,0|2,0,0]=4 1599 B5R0.5 CC(Cl)C(=O)N MCULE-5322078211 [1,1,0,0,0,0|1,0,0]=3 1600 B5R0.5 CC(Cl)C(=O)O MCULE-3597230803 [1,1,0,0,0,0|2,0,0]=4 1601 B5R0.5 CC(Cl)C(=O)O MCULE-5449120618 [1,1,0,0,0,0|2,0,0]=4 1602 B5R0.5 CC(F)C(=O)O MCULE-7334922730 [1,1,0,0,0,0|2,0,0]=4 1603 B5R0.5 CC(I)C(=O)N MCULE-8608495554 [1,1,0,0,0,0|1,0,0]=3 1604 B5R0.5 CC(N)C(=O)N MCULE-1264398810 [1,1,0,0,0,0|1,0,0]=3 1605 B5R0.5 CC(N)C(=O)N MCULE-2251123672 [1,1,0,0,0,0|1,0,0]=3 1606 B5R0.5 CC(N)C(=O)N MCULE-2273926073 [1,1,0,0,0,0|1,0,0]=3 1607 B5R0.5 CC(N)C(=O)N MCULE-5340923071 [1,1,0,0,0,0|1,0,0]=3 1608 B5R0.5 CC(N)C(=O)N MCULE-6061233032 [1,1,0,0,0,0|1,0,0]=3 1609 B5R0.5 CC(N)C(=O)N MCULE-9273221837 [1,1,0,0,0,0|1,0,0]=3 1610 B5R0.5 CC(N)C(=O)O MCULE-3498369789 [1,1,0,0,0,0|2,0,0]=4 1611 B5R0.5 CC(N)C(=O)O MCULE-3809839392 [1,1,0,0,0,0|2,0,0]=4 1612 B5R0.5 CC(N)C(=O)O MCULE-4751903561 [1,1,0,0,0,0|2,0,0]=4 1613 B5R0.5 CC(N)C(=O)O MCULE-6963397848 [1,1,0,0,0,0|2,0,0]=4 1614 B5R0.5 CC(N)C(C)N MCULE-6724099648 [1,1,0,0,0,0|1,0,1]=4 1615 B5R0.5 CC(N)C(C)O MCULE-3512899672 [1,1,0,0,0,0|1,0,1]=4 1616 B5R0.5 CC(N)C(C)O MCULE-6286987696 [1,1,0,0,0,0|1,0,1]=4 1617 B5R0.5 CC(O)C(=N)N MCULE-4358846536 [1,1,0,0,0,0|0,0,0]=2 1618 B5R0.5 CC(O)C(=N)N MCULE-5644516205 [1,1,0,0,0,0|0,0,0]=2 1619 B5R0.5 CC(O)C(=O)N MCULE-6247123668 [1,1,0,0,0,0|1,0,0]=3 1620 B5R0.5 CC(O)C(=O)N MCULE-7823792358 [1,1,0,0,0,0|1,0,0]=3 1621 B5R0.5 CC(O)C(=O)O MCULE-3922256529 [1,1,0,0,0,0|2,0,0]=4 1622 B5R0.5 CC(O)C(=O)O MCULE-5387110670 [1,1,0,0,0,0|2,0,0]=4 1623 B5R0.5 CC(O)C(=O)[O-] MCULE-1056716990 [1,1,0,0,0,0|2,0,0]=4 1624 B5R0.5 CC(O)C(=O)[O-] MCULE-8184872865 [1,1,0,0,0,0|2,0,0]=4 1625 B5R0.5 CC(O)C(=O)[O-] MCULE-8730993694 [1,1,0,0,0,0|2,0,0]=4 1626 B5R0.5 CC(S)C(=O)N MCULE-1465182001 [1,1,0,0,0,0|1,0,0]=3 1627 B5R0.5 CC(S)C(=O)O MCULE-6944738352 [1,1,0,0,0,0|2,0,0]=4 1628 B5R0.5 CN(C)C(=N)N MCULE-6863213372 [1,1,0,0,0,0|1,0,0]=3 1629 B5R0.5 CN(C)C(=N)N MCULE-7950775799 [1,1,0,0,0,0|1,0,0]=3 1630 B5R0.5 CN(C)C(=N)N MCULE-8265374681 [1,1,0,0,0,0|1,0,0]=3 1631 B5R0.5 CN(C)C(=N)N MCULE-9153833571 [1,1,0,0,0,0|1,0,0]=3 1632 B5R0.5 CN(C)C(=O)N MCULE-3142720631 [1,1,0,0,0,0|2,0,0]=4 1633 B5R0.5 CN(C)C(=S)N MCULE-6937388954 [1,1,0,0,0,0|2,0,0]=4 1634 B5R0.5 CN(N)C(=O)N MCULE-9114734246 [1,1,0,0,0,0|2,0,0]=4 1635 B5R0.5 CN(N)C(=S)N MCULE-8674598291 [1,1,0,0,0,0|2,0,0]=4 1636 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8303539222 [1,1,0,0,0,0|2,0,0]=4 1637 B5R0.5 C[C@@H](Br)C(=O)O MCULE-8530283309 [1,1,0,0,0,0|2,0,0]=4 1638 B5R0.5 C[C@@H](Cl)C(=O)Cl MCULE-3579498695 [1,1,0,0,0,0|2,0,0]=4 1639 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-6578788045 [1,1,0,0,0,0|2,0,0]=4 1640 B5R0.5 C[C@@H](Cl)C(=O)O MCULE-8314108697 [1,1,0,0,0,0|2,0,0]=4 1641 B5R0.5 C[C@@H](F)C(=O)N MCULE-1505685009 [1,1,0,0,0,0|1,0,0]=3 1642 B5R0.5 C[C@@H](N)C(=O)N MCULE-4677983549 [1,1,0,0,0,0|1,0,0]=3 1643 B5R0.5 C[C@@H](N)C(=O)N MCULE-6112443507 [1,1,0,0,0,0|1,0,0]=3 1644 B5R0.5 C[C@@H](N)C(=O)N MCULE-7940270709 [1,1,0,0,0,0|1,0,0]=3 1645 B5R0.5 C[C@@H](N)C(=O)N MCULE-8482332558 [1,1,0,0,0,0|1,0,0]=3 1646 B5R0.5 C[C@@H](N)C(=O)O MCULE-3571488623 [1,1,0,0,0,0|2,0,0]=4 1647 B5R0.5 C[C@@H](N)C(=O)O MCULE-9756365751 [1,1,0,0,0,0|2,0,0]=4 1648 B5R0.5 C[C@@H](N)[C@@H](C)N MCULE-5194916344 [1,1,0,0,0,0|1,0,1]=4 1649 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-4537991630 [1,1,0,0,0,0|1,0,1]=4 1650 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5710552020 [1,1,0,0,0,0|1,0,1]=4 1651 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-5951487868 [1,1,0,0,0,0|1,0,1]=4 1652 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8093543292 [1,1,0,0,0,0|1,0,1]=4 1653 B5R0.5 C[C@@H](N)[C@@H](C)O MCULE-8196664475 [1,1,0,0,0,0|1,0,1]=4 1654 B5R0.5 C[C@@H](O)C(=N)N MCULE-1498978023 [1,1,0,0,0,0|0,0,0]=2 1655 B5R0.5 C[C@@H](O)C(=N)N MCULE-6124491136 [1,1,0,0,0,0|0,0,0]=2 1656 B5R0.5 C[C@@H](O)C(=N)N MCULE-7410387081 [1,1,0,0,0,0|0,0,0]=2 1657 B5R0.5 C[C@@H](O)C(=N)N MCULE-9566288141 [1,1,0,0,0,0|0,0,0]=2 1658 B5R0.5 C[C@@H](O)C(=O)N MCULE-2026557726 [1,1,0,0,0,0|1,0,0]=3 1659 B5R0.5 C[C@@H](O)C(=O)N MCULE-8056291801 [1,1,0,0,0,0|1,0,0]=3 1660 B5R0.5 C[C@@H](O)C(=O)O MCULE-4625208788 [1,1,0,0,0,0|2,0,0]=4 1661 B5R0.5 C[C@@H](O)C(=O)O MCULE-9141235095 [1,1,0,0,0,0|2,0,0]=4 1662 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-5673591667 [1,1,0,0,0,0|2,0,0]=4 1663 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-8146434340 [1,1,0,0,0,0|2,0,0]=4 1664 B5R0.5 C[C@@H](O)C(=O)[O-] MCULE-9026662277 [1,1,0,0,0,0|2,0,0]=4 1665 B5R0.5 C[C@H](Br)C(=O)Cl MCULE-2960953088 [1,1,0,0,0,0|2,0,0]=4 1666 B5R0.5 C[C@H](Br)C(=O)O MCULE-4788730445 [1,1,0,0,0,0|2,0,0]=4 1667 B5R0.5 C[C@H](Br)C(=O)O MCULE-9354978281 [1,1,0,0,0,0|2,0,0]=4 1668 B5R0.5 C[C@H](Cl)C(=O)O MCULE-4816831649 [1,1,0,0,0,0|2,0,0]=4 1669 B5R0.5 C[C@H](Cl)C(=O)O MCULE-8389122613 [1,1,0,0,0,0|2,0,0]=4 1670 B5R0.5 C[C@H](F)C(=O)N MCULE-7457242428 [1,1,0,0,0,0|1,0,0]=3 1671 B5R0.5 C[C@H](N)C(=O)N MCULE-4716963408 [1,1,0,0,0,0|1,0,0]=3 1672 B5R0.5 C[C@H](N)C(=O)N MCULE-6879702251 [1,1,0,0,0,0|1,0,0]=3 1673 B5R0.5 C[C@H](N)C(=O)N MCULE-7090555441 [1,1,0,0,0,0|1,0,0]=3 1674 B5R0.5 C[C@H](N)C(=O)N MCULE-7293369315 [1,1,0,0,0,0|1,0,0]=3 1675 B5R0.5 C[C@H](N)C(=O)N MCULE-7341432132 [1,1,0,0,0,0|1,0,0]=3 1676 B5R0.5 C[C@H](N)C(=O)N MCULE-7556063213 [1,1,0,0,0,0|1,0,0]=3 1677 B5R0.5 C[C@H](N)C(=O)N MCULE-8320991932 [1,1,0,0,0,0|1,0,0]=3 1678 B5R0.5 C[C@H](N)C(=O)N MCULE-8491573930 [1,1,0,0,0,0|1,0,0]=3 1679 B5R0.5 C[C@H](N)C(=O)O MCULE-4916719758 [1,1,0,0,0,0|2,0,0]=4 1680 B5R0.5 C[C@H](N)C(=O)O MCULE-5261590548 [1,1,0,0,0,0|2,0,0]=4 1681 B5R0.5 C[C@H](N)C(=O)O MCULE-7791919887 [1,1,0,0,0,0|2,0,0]=4 1682 B5R0.5 C[C@H](N)C(=O)O MCULE-8724854497 [1,1,0,0,0,0|2,0,0]=4 1683 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-6389040758 [1,1,0,0,0,0|1,0,1]=4 1684 B5R0.5 C[C@H](N)[C@@H](C)O MCULE-7956913866 [1,1,0,0,0,0|1,0,1]=4 1685 B5R0.5 C[C@H](N)[C@H](C)N MCULE-1560418234 [1,1,0,0,0,0|1,0,1]=4 1686 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1340338147 [1,1,0,0,0,0|1,0,1]=4 1687 B5R0.5 C[C@H](N)[C@H](C)O MCULE-1738016964 [1,1,0,0,0,0|1,0,1]=4 1688 B5R0.5 C[C@H](N)[C@H](C)O MCULE-2254798251 [1,1,0,0,0,0|1,0,1]=4 1689 B5R0.5 C[C@H](N)[C@H](C)O MCULE-7688101680 [1,1,0,0,0,0|1,0,1]=4 1690 B5R0.5 C[C@H](O)C(=O)N MCULE-8400190365 [1,1,0,0,0,0|1,0,0]=3 1691 B5R0.5 C[C@H](O)C(=O)O MCULE-5695391344 [1,1,0,0,0,0|2,0,0]=4 1692 B5R0.5 C[C@H](O)C(=O)O MCULE-8864689875 [1,1,0,0,0,0|2,0,0]=4 1693 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-1034285072 [1,1,0,0,0,0|2,0,0]=4 1694 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-3598405830 [1,1,0,0,0,0|2,0,0]=4 1695 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-7525689298 [1,1,0,0,0,0|2,0,0]=4 1696 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8057429776 [1,1,0,0,0,0|2,0,0]=4 1697 B5R0.5 C[C@H](O)C(=O)[O-] MCULE-8729310894 [1,1,0,0,0,0|2,0,0]=4 1698 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-3776841970 [1,1,0,0,0,0|1,0,1]=4 1699 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-4906999918 [1,1,0,0,0,0|1,0,1]=4 1700 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5860404631 [1,1,0,0,0,0|1,0,1]=4 1701 B5R0.5 C[C@H](O)[C@@H](C)N MCULE-5888789996 [1,1,0,0,0,0|1,0,1]=4 1702 B5R0.5 N=C(N)N(N)N MCULE-6225047839 [1,1,0,0,0,0|2,0,0]=4 1703 B5R0.5 N=C(N)N(N)N MCULE-8407507713 [1,1,0,0,0,0|2,0,0]=4 1704 B5R0.5 N=C(N)S(=O)O MCULE-7034022108 [1,1,0,0,0,0|1,0,1]=4 1705 B5R0.5 NC(=O)C(Cl)Br MCULE-9082770089 [1,1,0,0,0,0|2,0,0]=4 1706 B5R0.5 NC(=O)C(Cl)Cl MCULE-3389337354 [1,1,0,0,0,0|2,0,0]=4 1707 B5R0.5 NC(=O)C(F)Br MCULE-8795303515 [1,1,0,0,0,0|2,0,0]=4 1708 B5R0.5 NC(=O)C(F)Cl MCULE-4267127037 [1,1,0,0,0,0|2,0,0]=4 1709 B5R0.5 NC(=O)C(F)F MCULE-7881392368 [1,1,0,0,0,0|2,0,0]=4 1710 B5R0.5 NC(=O)C(F)I MCULE-6067421301 [1,1,0,0,0,0|2,0,0]=4 1711 B5R0.5 NC(=S)C(F)F MCULE-3511485569 [1,1,0,0,0,0|2,0,0]=4 1712 B5R0.5 [C@@H](C)(O)C(=O)N MCULE-6953360641 [1,1,0,0,0,0|1,0,0]=3 1713 B5R0.2 C#CCSCC MCULE-5718021970 [1,1,0,0,0,0|1,0,1]=4 1714 B5R0.2 C(=CCCl)CN MCULE-8092426171 [1,1,0,0,0,0|2,0,0]=4 1715 B5R0.2 C(=CCCl)CN MCULE-9706120646 [1,1,0,0,0,0|2,0,0]=4 1716 B5R0.2 C(=C\CCl)\CN MCULE-3474871402 [1,1,0,0,0,0|2,0,0]=4 1717 B5R0.2 C/C=C/CCC MCULE-9851656818 [1,1,0,0,0,0|2,0,0]=4 1718 B5R0.2 C/C=C/CCO MCULE-3952855392 [1,1,0,0,0,0|2,0,0]=4 1719 B5R0.2 C/C=C/OCC MCULE-2891896400 [1,1,0,0,0,0|1,1,0]=4 1720 B5R0.2 C/C=C\CCC MCULE-1013657748 [1,1,0,0,0,0|2,0,0]=4 1721 B5R0.2 C=C/C=C/CC MCULE-5996202716 [1,1,0,0,0,0|2,0,0]=4 1722 B5R0.2 C=CCCCBr MCULE-5027518679 [1,1,0,0,0,0|2,0,0]=4 1723 B5R0.2 C=CCCCC MCULE-4750698031 [1,1,0,0,0,0|2,0,0]=4 1724 B5R0.2 C=CCCCCl MCULE-3877430809 [1,1,0,0,0,0|2,0,0]=4 1725 B5R0.2 C=CCCCI MCULE-8692831514 [1,1,0,0,0,0|2,0,0]=4 1726 B5R0.2 C=CCCCN MCULE-5787926547 [1,1,0,0,0,0|2,0,0]=4 1727 B5R0.2 C=CCCCN MCULE-7346989227 [1,1,0,0,0,0|2,0,0]=4 1728 B5R0.2 C=CCCCO MCULE-5946342321 [1,1,0,0,0,0|2,0,0]=4 1729 B5R0.2 C=CCCNC MCULE-2124263362 [1,1,0,0,0,0|2,0,0]=4 1730 B5R0.2 C=CCCNC MCULE-5024925990 [1,1,0,0,0,0|2,0,0]=4 1731 B5R0.2 C=CCCOC MCULE-4681354270 [1,1,0,0,0,0|2,0,0]=4 1732 B5R0.2 C=CCNCC MCULE-6987567673 [1,1,0,0,0,0|2,0,0]=4 1733 B5R0.2 C=CCNCC MCULE-8318544337 [1,1,0,0,0,0|2,0,0]=4 1734 B5R0.2 C=CCOCC MCULE-4363356618 [1,1,0,0,0,0|1,1,0]=4 1735 B5R0.2 C=CCSCC MCULE-3816911529 [1,1,0,0,0,0|1,0,0]=3 1736 B5R0.2 C=CCSSC MCULE-8417830164 [1,1,0,0,0,0|2,0,0]=4 1737 B5R0.2 C=COCCC MCULE-4423853666 [1,1,0,0,0,0|1,1,0]=4 1738 B5R0.2 C=COCCCl MCULE-7782311030 [1,1,0,0,0,0|1,1,0]=4 1739 B5R0.2 C=COCCN MCULE-8052872924 [1,1,0,0,0,0|1,1,0]=4 1740 B5R0.2 C=COCCN MCULE-8496820259 [1,1,0,0,0,0|1,1,0]=4 1741 B5R0.2 C=COCCO MCULE-9383372818 [1,1,0,0,0,0|1,1,0]=4 1742 B5R0.2 CC/C=C/C=O MCULE-5102906061 [1,1,0,0,0,0|2,0,0]=4 1743 B5R0.2 CC/C=C/CC MCULE-6762040186 [1,1,0,0,0,0|2,0,0]=4 1744 B5R0.2 CC/C=C\C#N MCULE-2648641382 [1,1,0,0,0,0|1,0,1]=4 1745 B5R0.2 CC/C=C\CC MCULE-9418110460 [1,1,0,0,0,0|2,0,0]=4 1746 B5R0.2 CC/C=C\CO MCULE-5480473249 [1,1,0,0,0,0|2,0,0]=4 1747 B5R0.2 CC=CCCBr MCULE-7329159278 [1,1,0,0,0,0|2,0,0]=4 1748 B5R0.2 CC=CCCC MCULE-8736231124 [1,1,0,0,0,0|2,0,0]=4 1749 B5R0.2 CC=CCCN MCULE-5129102475 [1,1,0,0,0,0|2,0,0]=4 1750 B5R0.2 CC=CCCN MCULE-8500001929 [1,1,0,0,0,0|2,0,0]=4 1751 B5R0.2 CC=CCCO MCULE-4302367089 [1,1,0,0,0,0|2,0,0]=4 1752 B5R0.2 CC=COCC MCULE-1473170404 [1,1,0,0,0,0|1,1,0]=4 1753 B5R0.2 CC=CSSC MCULE-2442770677 [1,1,0,0,0,0|2,0,0]=4 1754 B5R0.2 CCC#CC=O MCULE-3889262436 [1,1,0,0,0,0|2,0,0]=4 1755 B5R0.2 CCC#CCN MCULE-8712641266 [1,1,0,0,0,0|1,0,1]=4 1756 B5R0.2 CCC=CC#N MCULE-1091834842 [1,1,0,0,0,0|1,0,1]=4 1757 B5R0.2 CCC=CC=O MCULE-1318250395 [1,1,0,0,0,0|2,0,0]=4 1758 B5R0.2 CCC=CCBr MCULE-5326763881 [1,1,0,0,0,0|2,0,0]=4 1759 B5R0.2 CCC=CCC MCULE-5435957422 [1,1,0,0,0,0|2,0,0]=4 1760 B5R0.2 CCC=CCO MCULE-5633399984 [1,1,0,0,0,0|2,0,0]=4 1761 B5R0.2 CCCC=NO MCULE-7364375780 [1,1,0,0,0,0|1,0,0]=3 1762 B5R0.2 CCCCC=O MCULE-4736782822 [1,1,0,0,0,0|2,0,0]=4 1763 B5R0.2 CCCCCN MCULE-3371742982 [1,1,0,0,0,0|1,0,1]=4 1764 B5R0.2 CCCCCN MCULE-4371067300 [1,1,0,0,0,0|1,0,1]=4 1765 B5R0.2 CCCCCN MCULE-6547961798 [1,1,0,0,0,0|1,0,1]=4 1766 B5R0.2 CCCCCN MCULE-7483248760 [1,1,0,0,0,0|1,0,1]=4 1767 B5R0.2 CCCCNC MCULE-9321610906 [1,1,0,0,0,0|1,0,1]=4 1768 B5R0.2 CCCCNN MCULE-6681305566 [1,1,0,0,0,0|1,0,1]=4 1769 B5R0.2 CCCCNN MCULE-6890760890 [1,1,0,0,0,0|1,0,1]=4 1770 B5R0.2 CCCCNN MCULE-7362497327 [1,1,0,0,0,0|1,0,1]=4 1771 B5R0.2 CCCCNN MCULE-8463623644 [1,1,0,0,0,0|1,0,1]=4 1772 B5R0.2 CCCCNO MCULE-1911206569 [1,1,0,0,0,0|1,0,1]=4 1773 B5R0.2 CCCCNO MCULE-3820646216 [1,1,0,0,0,0|1,0,1]=4 1774 B5R0.2 CCCCON MCULE-7582349983 [1,1,0,0,0,0|1,0,1]=4 1775 B5R0.2 CCCCON MCULE-8175627798 [1,1,0,0,0,0|1,0,1]=4 1776 B5R0.2 CCCNC=O MCULE-6344556391 [1,1,0,0,0,0|2,0,0]=4 1777 B5R0.2 CCCOC=O MCULE-3133604529 [1,1,0,0,0,0|1,1,0]=4 1778 B5R0.2 CCCSC#N MCULE-9018157774 [1,1,0,0,0,0|0,0,2]=4 1779 B5R0.2 CCCSCC MCULE-4547385568 [1,1,0,0,0,0|1,0,1]=4 1780 B5R0.2 CCCSSC MCULE-3127072032 [1,1,0,0,0,0|2,0,0]=4 1781 B5R0.2 CCNCCN MCULE-7854769899 [1,1,0,0,0,0|1,0,1]=4 1782 B5R0.2 CCO/C=C\Br MCULE-7396084973 [1,1,0,0,0,0|1,1,0]=4 1783 B5R0.2 CCOC=CBr MCULE-5241125671 [1,1,0,0,0,0|1,1,0]=4 1784 B5R0.2 CCOCCN MCULE-1254431240 [1,1,0,0,0,0|0,1,1]=4 1785 B5R0.2 CCOCCN MCULE-4039110889 [1,1,0,0,0,0|0,1,1]=4 1786 B5R0.2 CCOCCN MCULE-4400456933 [1,1,0,0,0,0|0,1,1]=4 1787 B5R0.2 CCSCC#N MCULE-4093791055 [1,1,0,0,0,0|0,0,2]=4 1788 B5R0.2 CCSCC=O MCULE-8069035019 [1,1,0,0,0,0|1,0,0]=3 1789 B5R0.2 CCSCCBr MCULE-9449933342 [1,1,0,0,0,0|1,0,1]=4 1790 B5R0.2 CCSCCCl MCULE-4057847237 [1,1,0,0,0,0|1,0,1]=4 1791 B5R0.2 CCSCCN MCULE-3375644872 [1,1,0,0,0,0|0,0,1]=3 1792 B5R0.2 CCSCCN MCULE-4466279976 [1,1,0,0,0,0|0,0,1]=3 1793 B5R0.2 CCSCCO MCULE-3557086162 [1,1,0,0,0,0|1,0,1]=4 1794 B5R0.2 CCSCCS MCULE-4583054157 [1,1,0,0,0,0|1,0,1]=4 1795 B5R0.2 CCSSCC MCULE-7989926475 [1,1,0,0,0,0|1,0,1]=4 1796 B5R0.2 CNCCCN MCULE-1736081896 [1,1,0,0,0,0|1,0,1]=4 1797 B5R0.2 COCCC=O MCULE-2812117208 [1,1,0,0,0,0|2,0,0]=4 1798 B5R0.2 COCCCN MCULE-1421362990 [1,1,0,0,0,0|1,0,1]=4 1799 B5R0.2 COCCCN MCULE-4783132205 [1,1,0,0,0,0|1,0,1]=4 1800 B5R0.2 COCCNN MCULE-2086510453 [1,1,0,0,0,0|2,0,0]=4 1801 B5R0.2 COCCNN MCULE-4830987822 [1,1,0,0,0,0|2,0,0]=4 1802 B5R0.2 COCCNN MCULE-8361975855 [1,1,0,0,0,0|2,0,0]=4 1803 B5R0.2 COCCON MCULE-3507489398 [1,1,0,0,0,0|2,0,0]=4 1804 B5R0.2 COCCON MCULE-8506879697 [1,1,0,0,0,0|2,0,0]=4 1805 B5R0.2 CSCCC=O MCULE-6273241704 [1,1,0,0,0,0|2,0,0]=4 1806 B5R0.2 CSCCCN MCULE-1030938424 [1,1,0,0,0,0|1,0,1]=4 1807 B5R0.2 CSCCCN MCULE-4664984921 [1,1,0,0,0,0|1,0,1]=4 1808 B5R0.2 CSCCON MCULE-9125601960 [1,1,0,0,0,0|2,0,0]=4 1809 B5R0.2 CSSCCN MCULE-7065189564 [1,1,0,0,0,0|1,0,1]=4 1810 B5R0.2 CSSCCN MCULE-8654200268 [1,1,0,0,0,0|1,0,1]=4 1811 B5R0.2 N#CSCCCl MCULE-1181766006 [1,1,0,0,0,0|0,0,2]=4 1812 B5R0.2 NC/C=C/CN MCULE-3194321905 [1,1,0,0,0,0|2,0,0]=4 1813 B5R0.2 NC/C=C/CN MCULE-8357316852 [1,1,0,0,0,0|2,0,0]=4 1814 B5R0.2 NC/C=C\CCl MCULE-7895966955 [1,1,0,0,0,0|2,0,0]=4 1815 B5R0.2 NC/C=C\CN MCULE-6310541400 [1,1,0,0,0,0|2,0,0]=4 1816 B5R0.2 NC/C=C\CN MCULE-8765736519 [1,1,0,0,0,0|2,0,0]=4 1817 B5R0.2 NCC=CCN MCULE-3768809289 [1,1,0,0,0,0|2,0,0]=4 1818 B5R0.2 NCC=CCN MCULE-4004493343 [1,1,0,0,0,0|2,0,0]=4 1819 B5R0.2 NCC=CCN MCULE-6780035248 [1,1,0,0,0,0|2,0,0]=4 1820 B5R0.2 NCC=CCO MCULE-4993379992 [1,1,0,0,0,0|2,0,0]=4 1821 B5R0.2 NCCCCBr MCULE-7095299053 [1,1,0,0,0,0|1,0,1]=4 1822 B5R0.2 NCCCCBr MCULE-7716027825 [1,1,0,0,0,0|1,0,1]=4 1823 B5R0.2 NCCCCCl MCULE-8484381726 [1,1,0,0,0,0|1,0,1]=4 1824 B5R0.2 NCCCCCl MCULE-9917306082 [1,1,0,0,0,0|1,0,1]=4 1825 B5R0.2 NCCCCF MCULE-4260727945 [1,1,0,0,0,0|1,0,1]=4 1826 B5R0.2 NCCCCF MCULE-7716720921 [1,1,0,0,0,0|1,0,1]=4 1827 B5R0.2 NCCCCN MCULE-3098044935 [1,1,0,0,0,0|1,0,1]=4 1828 B5R0.2 NCCCCN MCULE-7898833229 [1,1,0,0,0,0|1,0,1]=4 1829 B5R0.2 NCCCCN MCULE-8029479697 [1,1,0,0,0,0|1,0,1]=4 1830 B5R0.2 NCCCCN MCULE-8509656776 [1,1,0,0,0,0|1,0,1]=4 1831 B5R0.2 NCCCCO MCULE-7395674091 [1,1,0,0,0,0|1,0,1]=4 1832 B5R0.2 NCCCCS MCULE-4353910418 [1,1,0,0,0,0|1,0,1]=4 1833 B5R0.2 NCCCCS MCULE-9812416858 [1,1,0,0,0,0|1,0,1]=4 1834 B5R0.2 NCCCNN MCULE-7657257572 [1,1,0,0,0,0|2,0,0]=4 1835 B5R0.2 NCCCON MCULE-1071170242 [1,1,0,0,0,0|2,0,0]=4 1836 B5R0.2 NCCCON MCULE-7767315563 [1,1,0,0,0,0|2,0,0]=4 1837 B5R0.2 NNCCCO MCULE-5557482626 [1,1,0,0,0,0|2,0,0]=4 1838 B5R0.2 NNCCCO MCULE-7351853032 [1,1,0,0,0,0|2,0,0]=4 1839 B5R0.2 NNCCCO MCULE-7919314403 [1,1,0,0,0,0|2,0,0]=4 1840 B5R0.2 NOCCCO MCULE-1072312935 [1,1,0,0,0,0|2,0,0]=4 1841 B5R0.2 NOCCCO MCULE-3715520109 [1,1,0,0,0,0|2,0,0]=4 1842 B5R0.2 NOCCCS MCULE-2063976508 [1,1,0,0,0,0|2,0,0]=4 1843 B5R0.2 NOCCCS MCULE-3464018652 [1,1,0,0,0,0|2,0,0]=4 1844 B5R0.2 O=CCCCBr MCULE-7239613396 [1,1,0,0,0,0|2,0,0]=4 1845 B5R0.2 O=CCCCCl MCULE-3011225716 [1,1,0,0,0,0|2,0,0]=4 1846 B5R0.2 O=CCCCI MCULE-3153720790 [1,1,0,0,0,0|2,0,0]=4 1847 B5R0.2 O=CCCCO MCULE-8728420992 [1,1,0,0,0,0|2,0,0]=4 1848 B5R0.2 O=CNCCO MCULE-3688614090 [1,1,0,0,0,0|2,0,0]=4 1849 B5R0.2 O=COCCO MCULE-1922672843 [1,1,0,0,0,0|1,1,0]=4 1850 B5R0.2 OC=CCCBr MCULE-3964604828 [1,1,0,0,0,0|2,0,0]=4 1851 B5R0.2 OC=CCCBr MCULE-5728835735 [1,1,0,0,0,0|2,0,0]=4 1852 B7R0.2 C/C(=N\O)/CC(C)C MCULE-1223937315 [0,2,0,0,0,0|2,0,0]=4 1853 B7R0.2 CC(=NO)CC(C)C MCULE-1446840557 [0,2,0,0,0,0|2,0,0]=4 1854 B7R0.2 CC(C#N)NC(=O)N MCULE-6628848826 [0,2,0,0,0,0|2,0,0]=4 1855 B7R0.2 CC(C)C/C(=N/O)/N MCULE-1815154611 [0,2,0,0,0,0|1,0,0]=3 1856 B7R0.2 CC(C)CC(=O)CN MCULE-2435223768 [0,2,0,0,0,0|2,0,0]=4 1857 B7R0.2 CC(C)CC(=O)CN MCULE-7131454463 [0,2,0,0,0,0|2,0,0]=4 1858 B7R0.2 CC(C)CC(=O)NN MCULE-7719387931 [0,2,0,0,0,0|2,0,0]=4 1859 B7R0.2 CC(C)NC(=O)CN MCULE-7188824856 [0,2,0,0,0,0|2,0,0]=4 1860 B7R0.2 CC(C)NC(=O)CN MCULE-8867435369 [0,2,0,0,0,0|2,0,0]=4 1861 B7R0.2 CC(C)NC(=S)NN MCULE-9711818578 [0,2,0,0,0,0|2,0,0]=4 1862 B7R0.2 CC(C)OC(=O)CN MCULE-4475626262 [0,2,0,0,0,0|1,1,0]=4 1863 B7R0.2 CC(C)OC(=O)CN MCULE-5696337645 [0,2,0,0,0,0|1,1,0]=4 1864 B7R0.2 CC(C)OC(=O)NN MCULE-5311288998 [0,2,0,0,0,0|1,1,0]=4 1865 B7R0.2 CC(CCl)OC(=O)N MCULE-7734729292 [0,2,0,0,0,0|1,1,0]=4 1866 B7R0.2 CC(O)CC(=O)NN MCULE-2521784411 [0,2,0,0,0,0|2,0,0]=4 1867 B7R0.2 CCC(=O)NC(=S)N MCULE-7487842736 [0,2,0,0,0,0|2,0,0]=4 1868 B7R0.2 CCC(C)CC(=N)N MCULE-6434778899 [0,2,0,0,0,0|1,0,0]=3 1869 B7R0.2 CCC(C)CC(=N)N MCULE-7964734356 [0,2,0,0,0,0|1,0,0]=3 1870 B7R0.2 CCC(C)NC(=O)N MCULE-6186330882 [0,2,0,0,0,0|2,0,0]=4 1871 B7R0.2 CCC(C)NC(=S)N MCULE-8856391382 [0,2,0,0,0,0|2,0,0]=4 1872 B7R0.2 CCC(C)SC(=O)Cl MCULE-4681925921 [0,2,0,0,0,0|2,0,0]=4 1873 B7R0.2 CN(C)C/C(=N/O)/N MCULE-5454112728 [0,2,0,0,0,0|2,0,0]=4 1874 B7R0.2 CNC(=N)NC(=N)N MCULE-4251668857 [0,2,0,0,0,0|1,0,1]=4 1875 B7R0.2 CNC(=N)NC(=N)N MCULE-5148103019 [0,2,0,0,0,0|1,0,1]=4 1876 B7R0.2 CNC(=O)CC(=N)N MCULE-4798896062 [0,2,0,0,0,0|1,0,1]=4 1877 B7R0.2 CNC(=O)CC(=N)N MCULE-6994336455 [0,2,0,0,0,0|1,0,1]=4 1878 B7R0.2 CNC(=O)CC(C)C MCULE-2303112628 [0,2,0,0,0,0|2,0,0]=4 1879 B7R0.2 CNC(=O)CC(C)N MCULE-7773306348 [0,2,0,0,0,0|2,0,0]=4 1880 B7R0.2 CNC(=O)CC(C)N MCULE-8658175271 [0,2,0,0,0,0|2,0,0]=4 1881 B7R0.2 CNC(C)CC(=O)N MCULE-1474658720 [0,2,0,0,0,0|2,0,0]=4 1882 B7R0.2 CNC(C)CC(=O)N MCULE-4481385519 [0,2,0,0,0,0|2,0,0]=4 1883 B7R0.2 COC(=N)CC(C)C MCULE-4603041381 [0,2,0,0,0,0|2,0,0]=4 1884 B7R0.2 COC(=N)CC(C)C MCULE-5838686710 [0,2,0,0,0,0|2,0,0]=4 1885 B7R0.2 COC(=O)CC(=N)N MCULE-3622266378 [0,2,0,0,0,0|1,0,1]=4 1886 B7R0.2 COC(=O)CC(=N)N MCULE-8717458518 [0,2,0,0,0,0|1,0,1]=4 1887 B7R0.2 COC(=O)SC(C)C MCULE-9908884347 [0,2,0,0,0,0|2,0,0]=4 1888 B7R0.2 N=C(N)NC(=O)CO MCULE-1435627041 [0,2,0,0,0,0|1,0,1]=4 1889 B7R0.3 CCCC/C(=N/O)/N MCULE-2186271962 [0,2,0,0,0,0|1,0,0]=3 1890 B7R0.3 CCCCC(=N)OC MCULE-3917139857 [0,2,0,0,0,0|2,0,0]=4 1891 B7R0.3 CCCCC(=N)OC MCULE-8394549097 [0,2,0,0,0,0|2,0,0]=4 1892 B7R0.3 CCCCC(=NO)C MCULE-8239265636 [0,2,0,0,0,0|2,0,0]=4 1893 B7R0.3 CCCCC(=O)NC MCULE-6810865419 [0,2,0,0,0,0|2,0,0]=4 1894 B7R0.3 CCCCC(=O)NN MCULE-9535710488 [0,2,0,0,0,0|2,0,0]=4 1895 B7R0.3 CCCNC(=O)CN MCULE-2964958967 [0,2,0,0,0,0|2,0,0]=4 1896 B7R0.3 CCCNC(=O)CN MCULE-4880764199 [0,2,0,0,0,0|2,0,0]=4 1897 B7R0.3 CCCNC(=O)NN MCULE-9369722445 [0,2,0,0,0,0|2,0,0]=4 1898 B7R0.3 CCCNC(=S)NN MCULE-3677693813 [0,2,0,0,0,0|2,0,0]=4 1899 B7R0.3 CCCOC(=O)CN MCULE-5016724090 [0,2,0,0,0,0|1,1,0]=4 1900 B7R0.3 CCCOC(=O)CN MCULE-9899563764 [0,2,0,0,0,0|1,1,0]=4 1901 B7R0.3 CCNCC(=O)NC MCULE-6292959559 [0,2,0,0,0,0|2,0,0]=4 1902 B7R0.3 CCOCC(=O)NN MCULE-1157330147 [0,2,0,0,0,0|1,1,0]=4 1903 B7R0.3 CCOCC(=O)NN MCULE-3371253482 [0,2,0,0,0,0|1,1,0]=4 1904 B7R0.3 CCONC(=O)CN MCULE-8014418978 [0,2,0,0,0,0|1,1,0]=4 1905 B7R0.3 CCONC(=O)CN MCULE-9229677559 [0,2,0,0,0,0|1,1,0]=4 1906 B7R0.3 CCSCC(=O)NN MCULE-2532030709 [0,2,0,0,0,0|1,0,0]=3 1907 B7R0.3 CCSCC(=O)OC MCULE-2538182357 [0,2,0,0,0,0|2,0,0]=4 1908 B7R0.3 CCSCC(C)NC MCULE-6245105657 [0,2,0,0,0,0|1,0,1]=4 1909 B7R0.3 CCSCC(C)NN MCULE-5847763411 [0,2,0,0,0,0|1,0,1]=4 1910 B7R0.3 CNC(=O)CCCCl MCULE-9460684794 [0,2,0,0,0,0|2,0,0]=4 1911 B7R0.3 CNC(=O)CCCN MCULE-4766031038 [0,2,0,0,0,0|2,0,0]=4 1912 B7R0.3 CNC(=O)CCCN MCULE-8992476653 [0,2,0,0,0,0|2,0,0]=4 1913 B7R0.3 CNC(=O)CCCO MCULE-2592655912 [0,2,0,0,0,0|2,0,0]=4 1914 B7R0.3 CNC(=O)CCOC MCULE-1263122933 [0,2,0,0,0,0|2,0,0]=4 1915 B7R0.3 CNC(=O)NCCN MCULE-4075769099 [0,2,0,0,0,0|2,0,0]=4 1916 B7R0.3 CNC(=O)NCCN MCULE-9668937902 [0,2,0,0,0,0|2,0,0]=4 1917 B7R0.3 CNC(=O)NCCO MCULE-7936045962 [0,2,0,0,0,0|2,0,0]=4 1918 B7R0.3 CNC(=O)OCCCl MCULE-9946450406 [0,2,0,0,0,0|1,1,0]=4 1919 B7R0.3 CNC(=O)OCCO MCULE-7181085118 [0,2,0,0,0,0|1,1,0]=4 1920 B7R0.3 CNCC/C(=N/O)/N MCULE-5663392892 [0,2,0,0,0,0|1,0,0]=3 1921 B7R0.3 CNCC/C(=N/O)/N MCULE-9276854772 [0,2,0,0,0,0|1,0,0]=3 1922 B7R0.3 CNCCC(=O)NC MCULE-1793457920 [0,2,0,0,0,0|2,0,0]=4 1923 B7R0.3 CNCCC(=O)NC MCULE-7089073664 [0,2,0,0,0,0|2,0,0]=4 1924 B7R0.3 COC(=N)CCCCl MCULE-3704020642 [0,2,0,0,0,0|2,0,0]=4 1925 B7R0.3 COC(=N)CCCCl MCULE-6282500757 [0,2,0,0,0,0|2,0,0]=4 1926 B7R0.3 COCC/C(=N\O)/N MCULE-3175892655 [0,2,0,0,0,0|1,0,0]=3 1927 B7R0.3 COCC/C(=N\O)/N MCULE-8002911611 [0,2,0,0,0,0|1,0,0]=3 1928 B7R0.3 COCCC(=O)NN MCULE-6895114863 [0,2,0,0,0,0|2,0,0]=4 1929 B7R0.3 N=C(CCCBr)NO MCULE-4204101118 [0,2,0,0,0,0|1,0,0]=3 1930 B7R0.3 NCC(=O)NCCF MCULE-1969796129 [0,2,0,0,0,0|2,0,0]=4 1931 B7R0.3 NCC(=O)NCCF MCULE-9924478230 [0,2,0,0,0,0|2,0,0]=4 1932 B7R0.3 NCC(=O)NCCO MCULE-3809178129 [0,2,0,0,0,0|2,0,0]=4 1933 B7R0.3 NCC(=O)NCCO MCULE-7057019123 [0,2,0,0,0,0|2,0,0]=4 1934 B7R0.3 NCC(=O)OCCCl MCULE-7924059164 [0,2,0,0,0,0|1,1,0]=4 1935 B7R0.3 NCC(=O)OCCCl MCULE-9260214783 [0,2,0,0,0,0|1,1,0]=4 1936 B7R0.3 NNC(=O)CCCCl MCULE-9370062145 [0,2,0,0,0,0|2,0,0]=4 1937 B7R0.3 NNC(=O)CCCO MCULE-4131007358 [0,2,0,0,0,0|2,0,0]=4 1938 B7R0.3 NNC(=O)OCCCl MCULE-1796161427 [0,2,0,0,0,0|1,1,0]=4 1939 B7R0.3 NNC(=O)OCCCl MCULE-3977269565 [0,2,0,0,0,0|1,1,0]=4 1940 B7R0.3 NNC(=O)OCCO MCULE-9375766063 [0,2,0,0,0,0|1,1,0]=4 1941 B7R0.5 C=CCC(C)C(=N)N MCULE-3296730912 [0,2,0,0,0,0|1,0,1]=4 1942 B7R0.5 C=CCC(C)C(=N)N MCULE-6538157119 [0,2,0,0,0,0|1,0,1]=4 1943 B7R0.5 CC(CCO)C(=O)N MCULE-3037868887 [0,2,0,0,0,0|2,0,0]=4 1944 B7R0.5 CCCC(=O)C(=O)N MCULE-6625605588 [0,2,0,0,0,0|2,0,0]=4 1945 B7R0.5 CCCC(=O)N(C)C MCULE-8154537620 [0,2,0,0,0,0|2,0,0]=4 1946 B7R0.5 CCCC(C)C(=O)N MCULE-1948746391 [0,2,0,0,0,0|2,0,0]=4 1947 B7R0.5 CCCC(N)C(=O)N MCULE-5159221123 [0,2,0,0,0,0|2,0,0]=4 1948 B7R0.5 CCCC(N)C(=O)N MCULE-5742773956 [0,2,0,0,0,0|2,0,0]=4 1949 B7R0.5 CCCC(O)C(=O)N MCULE-3143432132 [0,2,0,0,0,0|2,0,0]=4 1950 B7R0.5 CCC[C@H](N)C(=O)N MCULE-2163059771 [0,2,0,0,0,0|2,0,0]=4 1951 B7R0.5 CCC[C@H](N)C(=O)N MCULE-4687172013 [0,2,0,0,0,0|2,0,0]=4 1952 B7R0.5 CCC[C@H](N)C(=O)N MCULE-7482592029 [0,2,0,0,0,0|2,0,0]=4 1953 B7R0.5 CCC[C@H](N)C(=O)N MCULE-9639796243 [0,2,0,0,0,0|2,0,0]=4 1954 B7R0.5 CCNC(=O)C(C)N MCULE-7767946644 [0,2,0,0,0,0|2,0,0]=4 1955 B7R0.5 CCNC(=O)C(C)N MCULE-8324775088 [0,2,0,0,0,0|2,0,0]=4 1956 B7R0.5 CCNC(=O)C(C)N MCULE-9028977052 [0,2,0,0,0,0|2,0,0]=4 1957 B7R0.5 CCNC(=O)N(C)N MCULE-4378383472 [0,2,0,0,0,0|2,0,0]=4 1958 B7R0.5 CCNC(=O)[C@H](C)N MCULE-1043080386 [0,2,0,0,0,0|2,0,0]=4 1959 B7R0.5 CCNC(=S)N(C)N MCULE-5791702760 [0,2,0,0,0,0|2,0,0]=4 1960 B7R0.5 CCNC(C)C(=O)N MCULE-2861818493 [0,2,0,0,0,0|2,0,0]=4 1961 B7R0.5 CCNC(C)C(=O)N MCULE-6110291237 [0,2,0,0,0,0|2,0,0]=4 1962 B7R0.5 CCOC(=N)C(C)C MCULE-3425518673 [0,2,0,0,0,0|1,1,0]=4 1963 B7R0.5 CCOC(=N)C(C)C MCULE-9982777491 [0,2,0,0,0,0|1,1,0]=4 1964 B7R0.5 CCOC(=N)C(C)O MCULE-4906645723 [0,2,0,0,0,0|1,1,0]=4 1965 B7R0.5 CCOC(=N)C(C)O MCULE-6342692176 [0,2,0,0,0,0|1,1,0]=4 1966 B7R0.5 CCOC(=N)C(F)F MCULE-5998423176 [0,2,0,0,0,0|1,1,0]=4 1967 B7R0.5 CCOC(=O)C(=N)N MCULE-4853735680 [0,2,0,0,0,0|0,1,0]=3 1968 B7R0.5 CCOC(=O)C(=N)N MCULE-9212797796 [0,2,0,0,0,0|0,1,0]=3 1969 B7R0.5 CCOC(=O)C(=O)N MCULE-2968497645 [0,2,0,0,0,0|1,1,0]=4 1970 B7R0.5 CCOC(=O)C(=S)N MCULE-3285821799 [0,2,0,0,0,0|1,1,0]=4 1971 B7R0.5 CCOC(=O)C(C)N MCULE-1694144423 [0,2,0,0,0,0|1,1,0]=4 1972 B7R0.5 CCOC(=O)C(C)N MCULE-4073874506 [0,2,0,0,0,0|1,1,0]=4 1973 B7R0.5 CCOC(=O)C(C)N MCULE-4082731166 [0,2,0,0,0,0|1,1,0]=4 1974 B7R0.5 CCOC(=O)C(C)N MCULE-5175870607 [0,2,0,0,0,0|1,1,0]=4 1975 B7R0.5 CCOC(=O)N(C)C MCULE-8344568471 [0,2,0,0,0,0|1,1,0]=4 1976 B7R0.5 CCOC(=O)N(C)N MCULE-3043289486 [0,2,0,0,0,0|1,1,0]=4 1977 B7R0.5 CCOC(=O)N(Cl)Cl MCULE-5524945489 [0,2,0,0,0,0|1,1,0]=4 1978 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-1553164105 [0,2,0,0,0,0|1,1,0]=4 1979 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-2294196196 [0,2,0,0,0,0|1,1,0]=4 1980 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-4613491627 [0,2,0,0,0,0|1,1,0]=4 1981 B7R0.5 CCOC(=O)[C@@H](C)N MCULE-8190900780 [0,2,0,0,0,0|1,1,0]=4 1982 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4397919899 [0,2,0,0,0,0|1,1,0]=4 1983 B7R0.5 CCOC(=O)[C@H](C)N MCULE-4404274511 [0,2,0,0,0,0|1,1,0]=4 1984 B7R0.5 CCOC(=O)[C@H](C)N MCULE-7626045082 [0,2,0,0,0,0|1,1,0]=4 1985 B7R0.5 CCOC(=O)[C@H](C)N MCULE-8333235087 [0,2,0,0,0,0|1,1,0]=4 1986 B7R0.5 CCOC(=S)C(=O)N MCULE-4600711043 [0,2,0,0,0,0|1,1,0]=4 1987 B7R0.5 CCOC(C)C(=S)N MCULE-2027801148 [0,2,0,0,0,0|1,1,0]=4 1988 B7R0.5 CCSC(=O)C(C)N MCULE-3205133332 [0,2,0,0,0,0|1,0,0]=3 1989 B7R0.5 CCSC(=O)C(C)N MCULE-4228316337 [0,2,0,0,0,0|1,0,0]=3 1990 B7R0.5 CCSC(=O)[C@H](C)N MCULE-3136283874 [0,2,0,0,0,0|1,0,0]=3 1991 B7R0.5 CCSC(=O)[C@H](C)N MCULE-7218618193 [0,2,0,0,0,0|1,0,0]=3 1992 B7R0.5 CCSC(=O)[C@H](C)N MCULE-8421179745 [0,2,0,0,0,0|1,0,0]=3 1993 B7R0.5 CCSC(=O)[C@H](C)N MCULE-9872171069 [0,2,0,0,0,0|1,0,0]=3 1994 B7R0.5 CCSC(C)C(=O)O MCULE-9817243573 [0,2,0,0,0,0|2,0,0]=4 1995 B7R0.5 COCC(C)C(=S)N MCULE-6392999047 [0,2,0,0,0,0|2,0,0]=4 1996 B7R0.5 COCC(N)C(=O)N MCULE-2465830538 [0,2,0,0,0,0|2,0,0]=4 1997 B7R0.5 COCC(N)C(=O)N MCULE-6194410780 [0,2,0,0,0,0|2,0,0]=4 1998 B7R0.5 NC(=O)C(Br)CCBr MCULE-5008510444 [0,2,0,0,0,0|2,0,0]=4 1999 B7R0.7 CCCC(=N)OCC MCULE-5551107242 [0,2,0,0,0,0|1,1,0]=4 2000 B7R0.7 CCCC(=N)OCC MCULE-7790310067 [0,2,0,0,0,0|1,1,0]=4 2001 B7R0.7 CCN/C(=N/C#N)/N MCULE-9098884801 [0,2,0,0,0,0|1,0,0]=3 2002 B7R0.7 CCNC(=O)CCN MCULE-2856252531 [0,2,0,0,0,0|2,0,0]=4 2003 B7R0.7 CCNC(=O)CCN MCULE-3929666209 [0,2,0,0,0,0|2,0,0]=4 2004 B7R0.7 CCNC(=O)CNC MCULE-1939824251 [0,2,0,0,0,0|2,0,0]=4 2005 B7R0.7 CCNC(=O)CNC MCULE-2815515396 [0,2,0,0,0,0|2,0,0]=4 2006 B7R0.7 CCNC(=O)NCC MCULE-2253571388 [0,2,0,0,0,0|2,0,0]=4 2007 B7R0.7 CCNC(=O)OCC MCULE-3910060770 [0,2,0,0,0,0|1,1,0]=4 2008 B7R0.7 CCNC(=S)NCC MCULE-8237270311 [0,2,0,0,0,0|2,0,0]=4 2009 B7R0.7 CCO/C(=N/C#N)/C MCULE-4139039384 [0,2,0,0,0,0|1,1,0]=4 2010 B7R0.7 CCO/C(=N\C#N)/C MCULE-4596466252 [0,2,0,0,0,0|1,1,0]=4 2011 B7R0.7 CCOC(=N)CC#N MCULE-3997647151 [0,2,0,0,0,0|0,1,1]=4 2012 B7R0.7 CCOC(=N)CC#N MCULE-6574650764 [0,2,0,0,0,0|0,1,1]=4 2013 B7R0.7 CCOC(=N)CCCl MCULE-3462649487 [0,2,0,0,0,0|1,1,0]=4 2014 B7R0.7 CCOC(=N)CCCl MCULE-7130199135 [0,2,0,0,0,0|1,1,0]=4 2015 B7R0.7 CCOC(=N)CCO MCULE-8135932013 [0,2,0,0,0,0|1,1,0]=4 2016 B7R0.7 CCOC(=N)CCO MCULE-9125708150 [0,2,0,0,0,0|1,1,0]=4 2017 B7R0.7 CCOC(=N)COC MCULE-1358920023 [0,2,0,0,0,0|1,1,0]=4 2018 B7R0.7 CCOC(=N)COC MCULE-8494947544 [0,2,0,0,0,0|1,1,0]=4 2019 B7R0.7 CCOC(=NC#N)C MCULE-9653327346 [0,2,0,0,0,0|1,1,0]=4 2020 B7R0.7 CCOC(=O)/C=C\N MCULE-1135242139 [0,2,0,0,0,0|1,1,0]=4 2021 B7R0.7 CCOC(=O)C=NN MCULE-5132323904 [0,2,0,0,0,0|1,1,0]=4 2022 B7R0.7 CCOC(=O)C=NN MCULE-5899717314 [0,2,0,0,0,0|1,1,0]=4 2023 B7R0.7 CCOC(=O)C=NO MCULE-8888029932 [0,2,0,0,0,0|1,1,0]=4 2024 B7R0.7 CCOC(=O)CCN MCULE-4383008445 [0,2,0,0,0,0|1,1,0]=4 2025 B7R0.7 CCOC(=O)CCN MCULE-6873709061 [0,2,0,0,0,0|1,1,0]=4 2026 B7R0.7 CCOC(=O)CNC MCULE-3219895330 [0,2,0,0,0,0|1,1,0]=4 2027 B7R0.7 CCOC(=O)CNC MCULE-6164649520 [0,2,0,0,0,0|1,1,0]=4 2028 B7R0.7 CCOC(=O)CNN MCULE-2832319636 [0,2,0,0,0,0|1,1,0]=4 2029 B7R0.7 CCOC(=O)CNN MCULE-3479623348 [0,2,0,0,0,0|1,1,0]=4 2030 B7R0.7 CCOC(=O)CNN MCULE-5066106273 [0,2,0,0,0,0|1,1,0]=4 2031 B7R0.7 CCOC(=O)CON MCULE-4924818206 [0,2,0,0,0,0|1,1,0]=4 2032 B7R0.7 CCOC(=O)N=C=O MCULE-6030513409 [0,2,0,0,0,0|1,1,0]=4 2033 B7R0.7 CCOC(=O)N=C=S MCULE-1259119752 [0,2,0,0,0,0|1,1,0]=4 2034 B7R0.7 CCOC(=O)N=S=O MCULE-2418866175 [0,2,0,0,0,0|1,1,0]=4 2035 B7R0.7 CCOC(=O)NCCl MCULE-9646468987 [0,2,0,0,0,0|1,1,0]=4 2036 B7R0.7 CCOC(=O)NCO MCULE-1265242244 [0,2,0,0,0,0|1,1,0]=4 2037 B7R0.7 CCOC(=O)NNC MCULE-8689837834 [0,2,0,0,0,0|1,1,0]=4 2038 B7R0.7 CCOC(=O)NOC MCULE-2256963329 [0,2,0,0,0,0|1,1,0]=4 2039 B7R0.7 CCOC(=S)SCC MCULE-9637505732 [0,2,0,0,0,0|2,0,0]=4 2040 B7R0.7 CCSC(=O)SCC MCULE-7783165279 [0,2,0,0,0,0|2,0,0]=4 2041 B7R0.10 CC(CCl)C(=N)NO MCULE-4023987029 [0,2,0,0,0,0|2,0,0]=4 2042 B7R0.10 CCC(=O)C(=NO)C MCULE-5669219787 [0,2,0,0,0,0|2,0,0]=4 2043 B7R0.10 CCC(Br)C(=O)NC MCULE-5335067622 [0,2,0,0,0,0|2,0,0]=4 2044 B7R0.10 CCC(C)/C(=N/O)/N MCULE-3220820796 [0,2,0,0,0,0|1,0,0]=3 2045 B7R0.10 CCC(C)/C(=N/O)/N MCULE-6860766298 [0,2,0,0,0,0|1,0,0]=3 2046 B7R0.10 CCC(C)C(=O)NC MCULE-5599095900 [0,2,0,0,0,0|2,0,0]=4 2047 B7R0.10 CCC(C)C(=O)NN MCULE-4144584435 [0,2,0,0,0,0|2,0,0]=4 2048 B7R0.10 CCC(N)C(=O)NC MCULE-7274856339 [0,2,0,0,0,0|2,0,0]=4 2049 B7R0.10 CCC(N)C(=O)NC MCULE-9912780545 [0,2,0,0,0,0|2,0,0]=4 2050 B7R0.10 CCC(N)C(=O)NO MCULE-9162328479 [0,2,0,0,0,0|2,0,0]=4 2051 B7R0.10 CCN(N)C(=S)NC MCULE-9798319933 [0,2,0,0,0,0|2,0,0]=4 2052 B7R0.10 CNC(=O)/C(=N/O)/N MCULE-4165941405 [0,2,0,0,0,0|2,0,0]=4 2053 B7R0.10 COC(=O)/C(=N/O)/N MCULE-6279341489 [0,2,0,0,0,0|2,0,0]=4 2054 B7R0.10 COC(C)/C(=N/O)/N MCULE-3009628521 [0,2,0,0,0,0|2,0,0]=4 2055 B7R0.9 CC(=O)SC(C)(C)C MCULE-7111846167 [0,2,0,0,0,0|2,0,0]=4 2056 B7R0.9 CC(C)(C)CC(=O)N MCULE-5884141657 [0,2,0,0,0,0|2,0,0]=4 2057 B7R0.9 CC(C)(C)NC(=N)N MCULE-5609903716 [0,2,0,0,0,0|1,0,0]=3 2058 B7R0.9 CC(C)(C)NC(=N)N MCULE-8833744812 [0,2,0,0,0,0|1,0,0]=3 2059 B7R0.9 CC(C)(C)NC(=O)N MCULE-7867571542 [0,2,0,0,0,0|2,0,0]=4 2060 B7R0.9 CC(C)(C)NC(=S)N MCULE-5791832264 [0,2,0,0,0,0|2,0,0]=4 2061 B7R0.9 CC(C)(C)OC(=O)N MCULE-8089044173 [0,2,0,0,0,0|1,1,0]=4 2062 B7R0.9 CC(C)(C)SC(=N)N MCULE-4615743002 [0,2,0,0,0,0|0,0,0]=2 2063 B7R0.9 CC(C)(C)SC(=O)Cl MCULE-5079482641 [0,2,0,0,0,0|2,0,0]=4 2064 B7R0.9 CC(C)(C)SC(=[NH2+])N MCULE-2716931039 [0,2,0,0,0,0|0,0,1]=3 2065 B7R0.9 CC(C)(N)CC(=O)N MCULE-8203649114 [0,2,0,0,0,0|2,0,0]=4 2066 B7R0.9 CC(C)(N)CC(=O)N MCULE-9031143786 [0,2,0,0,0,0|2,0,0]=4 2067 B7R0.9 CS(=O)(=O)CC(=N)N MCULE-4168161900 [0,2,0,0,0,0|2,0,0]=4 2068 B7R0.9 CS(=O)(=O)CC(=N)N MCULE-9361065749 [0,2,0,0,0,0|2,0,0]=4 2069 B7R0.9 N=C(N)CC(F)(F)F MCULE-2961005667 [0,2,0,0,0,0|2,0,0]=4 2070 B7R0.9 N=C(N)CC(F)(F)F MCULE-9875155087 [0,2,0,0,0,0|2,0,0]=4 2071 B7R0.16 CC(C)C(Br)C(=O)N MCULE-8059032804 [0,2,0,0,0,0|2,0,0]=4 2072 B7R0.16 CC(C)C(N)C(=O)N MCULE-5793065876 [0,2,0,0,0,0|2,0,0]=4 2073 B7R0.16 CC(C)C(N)C(=O)N MCULE-6836215171 [0,2,0,0,0,0|2,0,0]=4 2074 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2330575489 [0,2,0,0,0,0|2,0,0]=4 2075 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-2653474443 [0,2,0,0,0,0|2,0,0]=4 2076 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-3449326352 [0,2,0,0,0,0|2,0,0]=4 2077 B7R0.16 CC(C)[C@@H](N)C(=O)N MCULE-7409435805 [0,2,0,0,0,0|2,0,0]=4 2078 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-1415573194 [0,2,0,0,0,0|2,0,0]=4 2079 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-2742126302 [0,2,0,0,0,0|2,0,0]=4 2080 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-3124084676 [0,2,0,0,0,0|2,0,0]=4 2081 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-4854272542 [0,2,0,0,0,0|2,0,0]=4 2082 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-7430998836 [0,2,0,0,0,0|2,0,0]=4 2083 B7R0.16 CC(C)[C@H](N)C(=O)N MCULE-9899853579 [0,2,0,0,0,0|2,0,0]=4 2084 B7R0.16 CC(O)C(N)C(=O)N MCULE-1234785834 [0,2,0,0,0,0|2,0,0]=4 2085 B7R0.16 CC(O)C(N)C(=O)N MCULE-5867306342 [0,2,0,0,0,0|2,0,0]=4 2086 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-1969228933 [0,2,0,0,0,0|2,0,0]=4 2087 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-3285041526 [0,2,0,0,0,0|2,0,0]=4 2088 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-5018319528 [0,2,0,0,0,0|2,0,0]=4 2089 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-6080625355 [0,2,0,0,0,0|2,0,0]=4 2090 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9393787536 [0,2,0,0,0,0|2,0,0]=4 2091 B7R0.16 C[C@@H](O)[C@H](N)C(=O)N MCULE-9925689829 [0,2,0,0,0,0|2,0,0]=4 2092 B7R0.13 CCC(C)(N)C(=O)N MCULE-6399521661 [0,2,0,0,0,0|2,0,0]=4 2093 B7R0.13 CCC(C)(O)C(=O)N MCULE-7082405574 [0,2,0,0,0,0|2,0,0]=4 2094 B7R0.15 CCC(CC)C(=O)N MCULE-7337294425 [0,2,0,0,0,0|2,0,0]=4 2095 B7R0.15 CCC(CC)C(=S)N MCULE-8027076934 [0,2,0,0,0,0|2,0,0]=4 2096 B7R0.15 CCC(NC)C(=O)N MCULE-1925914686 [0,2,0,0,0,0|2,0,0]=4 2097 B7R0.15 CCC(NC)C(=O)N MCULE-3283265693 [0,2,0,0,0,0|2,0,0]=4 2098 B7R0.15 CCC(OC)C(=O)N MCULE-4022181907 [0,2,0,0,0,0|2,0,0]=4 2099 B7R0.15 CCN(CC)C(=N)N MCULE-1751840001 [0,2,0,0,0,0|1,0,0]=3 2100 B7R0.15 CCN(CC)C(=N)N MCULE-3282435761 [0,2,0,0,0,0|1,0,0]=3 2101 B7R0.15 CCN(CC)C(=N)N MCULE-3885028683 [0,2,0,0,0,0|1,0,0]=3 2102 B7R0.15 CCN(CC)C(=N)N MCULE-5290490107 [0,2,0,0,0,0|1,0,0]=3 2103 B7R0.15 CCN(CC)C(=N)N MCULE-7397019839 [0,2,0,0,0,0|1,0,0]=3 2104 B7R0.15 CCN(CC)C(=O)N MCULE-7011051295 [0,2,0,0,0,0|2,0,0]=4 2105 B7R0.15 CCN(CC)C(=S)N MCULE-6855799912 [0,2,0,0,0,0|2,0,0]=4 2106 B7R0.15 CCN(N=O)C(=O)N MCULE-1587704958 [0,2,0,0,0,0|2,0,0]=4 2107 B7R0.15 CC[C@H](NC)C(=O)N MCULE-6927041915 [0,2,0,0,0,0|2,0,0]=4 2108 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8566282898 [0,2,0,0,0,0|2,0,0]=4 2109 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8659413445 [0,2,0,0,0,0|2,0,0]=4 2110 B7R0.15 CC[C@H](NC)C(=O)N MCULE-8863599251 [0,2,0,0,0,0|2,0,0]=4 2111 B7R0.15 COC(OC)C(=N)N MCULE-1897423045 [0,2,0,0,0,0|2,0,0]=4 2112 B7R0.15 COC(OC)C(=N)N MCULE-9805136082 [0,2,0,0,0,0|2,0,0]=4 2113 B7R0.4 C#CCCCC(=O)N MCULE-3927386617 [0,2,0,0,0,0|2,0,0]=4 2114 B7R0.4 C#CCCNC(=O)N MCULE-3889590992 [0,2,0,0,0,0|2,0,0]=4 2115 B7R0.4 C#CCCOC(=O)N MCULE-4721276092 [0,2,0,0,0,0|1,1,0]=4 2116 B7R0.4 CC(=O)CSCCF MCULE-8129308816 [0,2,0,0,0,0|2,0,0]=4 2117 B7R0.4 CC(=O)SCCC#N MCULE-4159295037 [0,2,0,0,0,0|2,0,0]=4 2118 B7R0.4 CC(=O)SCCC=O MCULE-3054558493 [0,2,0,0,0,0|2,0,0]=4 2119 B7R0.4 CC(=O)SCCCBr MCULE-2716633608 [0,2,0,0,0,0|2,0,0]=4 2120 B7R0.4 CC(=O)SCCCCl MCULE-3875604518 [0,2,0,0,0,0|2,0,0]=4 2121 B7R0.4 CC(=O)SCCCO MCULE-9014625190 [0,2,0,0,0,0|2,0,0]=4 2122 B7R0.4 CCC=NNC(=S)N MCULE-6637349631 [0,2,0,0,0,0|2,0,0]=4 2123 B7R0.4 CCCCCC(=N)N MCULE-4874167268 [0,2,0,0,0,0|1,0,0]=3 2124 B7R0.4 CCCCCC(=N)N MCULE-6942690708 [0,2,0,0,0,0|1,0,0]=3 2125 B7R0.4 CCCCCC(=O)N MCULE-3215992514 [0,2,0,0,0,0|2,0,0]=4 2126 B7R0.4 CCCCCC(=S)N MCULE-7633089850 [0,2,0,0,0,0|2,0,0]=4 2127 B7R0.4 CCCCNC(=N)N MCULE-4548909930 [0,2,0,0,0,0|1,0,0]=3 2128 B7R0.4 CCCCNC(=N)N MCULE-4773969181 [0,2,0,0,0,0|1,0,0]=3 2129 B7R0.4 CCCCNC(=O)N MCULE-3263036294 [0,2,0,0,0,0|2,0,0]=4 2130 B7R0.4 CCCCNC(=S)N MCULE-7448930772 [0,2,0,0,0,0|2,0,0]=4 2131 B7R0.4 CCCCOC(=O)N MCULE-7719579696 [0,2,0,0,0,0|1,1,0]=4 2132 B7R0.4 CCCCSC(=N)N MCULE-1202813594 [0,2,0,0,0,0|0,0,0]=2 2133 B7R0.4 CCCCSC(=N)N MCULE-6798856505 [0,2,0,0,0,0|0,0,0]=2 2134 B7R0.4 CCCCSC(=N)N MCULE-8701506154 [0,2,0,0,0,0|0,0,0]=2 2135 B7R0.4 CCCCSC(=O)C MCULE-2653182488 [0,2,0,0,0,0|2,0,0]=4 2136 B7R0.4 CCCCSC(=O)Cl MCULE-8008254909 [0,2,0,0,0,0|2,0,0]=4 2137 B7R0.4 CCCNCC(=O)N MCULE-2330202708 [0,2,0,0,0,0|2,0,0]=4 2138 B7R0.4 CCCNCC(=O)N MCULE-3731054780 [0,2,0,0,0,0|2,0,0]=4 2139 B7R0.4 CCCOCC(=S)N MCULE-4681127635 [0,2,0,0,0,0|1,1,0]=4 2140 B7R0.4 CCCSCC(=O)C MCULE-8321448629 [0,2,0,0,0,0|2,0,0]=4 2141 B7R0.4 CCCSCC(=O)O MCULE-7463688573 [0,2,0,0,0,0|2,0,0]=4 2142 B7R0.4 CCNCCC(=O)N MCULE-4857735433 [0,2,0,0,0,0|2,0,0]=4 2143 B7R0.4 CCNCCC(=O)N MCULE-8238114591 [0,2,0,0,0,0|2,0,0]=4 2144 B7R0.4 CCO/C=C/C(=N)N MCULE-5385104731 [0,2,0,0,0,0|0,1,0]=3 2145 B7R0.4 CCO/C=C/C(=N)N MCULE-9722827005 [0,2,0,0,0,0|0,1,0]=3 2146 B7R0.4 CCOCCC(=N)N MCULE-4926091113 [0,2,0,0,0,0|0,1,0]=3 2147 B7R0.4 CCOCCC(=N)N MCULE-8590303415 [0,2,0,0,0,0|0,1,0]=3 2148 B7R0.4 CCOCNC(=O)N MCULE-7680870721 [0,2,0,0,0,0|1,1,0]=4 2149 B7R0.4 CCSCCC(=O)O MCULE-9385724904 [0,2,0,0,0,0|2,0,0]=4 2150 B7R0.4 CCSCCC(C)N MCULE-6854502332 [0,2,0,0,0,0|1,0,1]=4 2151 B7R0.4 CNCCCC(=O)N MCULE-8337447772 [0,2,0,0,0,0|2,0,0]=4 2152 B7R0.4 CNCCCC(=O)N MCULE-9037809827 [0,2,0,0,0,0|2,0,0]=4 2153 B7R0.4 CNCCSC(=N)N MCULE-4335831899 [0,2,0,0,0,0|0,0,0]=2 2154 B7R0.4 CNCCSC(=N)N MCULE-5500737932 [0,2,0,0,0,0|0,0,0]=2 2155 B7R0.4 COCCCC(=S)N MCULE-5066867181 [0,2,0,0,0,0|2,0,0]=4 2156 B7R0.4 COCCNC(=N)N MCULE-4122240317 [0,2,0,0,0,0|1,0,0]=3 2157 B7R0.4 COCCNC(=N)N MCULE-5184785677 [0,2,0,0,0,0|1,0,0]=3 2158 B7R0.4 COCCNC(=N)N MCULE-5799549903 [0,2,0,0,0,0|1,0,0]=3 2159 B7R0.4 COCCNC(=O)N MCULE-1380726553 [0,2,0,0,0,0|2,0,0]=4 2160 B7R0.4 COCCNC(=S)N MCULE-1285240117 [0,2,0,0,0,0|2,0,0]=4 2161 B7R0.4 COCCOC(=O)N MCULE-3401505850 [0,2,0,0,0,0|1,1,0]=4 2162 B7R0.4 COCCSC(=N)N MCULE-2093405339 [0,2,0,0,0,0|0,0,0]=2 2163 B7R0.4 COCCSC(=N)N MCULE-7836023475 [0,2,0,0,0,0|0,0,0]=2 2164 B7R0.4 CSCCNC(=O)N MCULE-7254695938 [0,2,0,0,0,0|2,0,0]=4 2165 B7R0.4 CSCCNC(=S)N MCULE-1778031613 [0,2,0,0,0,0|2,0,0]=4 2166 B7R0.4 N#CCCNC(=S)N MCULE-1184051700 [0,2,0,0,0,0|2,0,0]=4 2167 B7R0.4 N#CCCSC(=N)N MCULE-6729718356 [0,2,0,0,0,0|0,0,0]=2 2168 B7R0.4 N#CCCSC(=N)N MCULE-7887790936 [0,2,0,0,0,0|0,0,0]=2 2169 B7R0.4 N=C(N)CCCCCl MCULE-4352194585 [0,2,0,0,0,0|1,0,0]=3 2170 B7R0.4 N=C(N)CCCCCl MCULE-5262170460 [0,2,0,0,0,0|1,0,0]=3 2171 B7R0.4 NC(=O)CCCCBr MCULE-4949681497 [0,2,0,0,0,0|2,0,0]=4 2172 B7R0.4 NC(=O)CCCCCl MCULE-7937142112 [0,2,0,0,0,0|2,0,0]=4 2173 B7R0.4 NC(=O)CCCCO MCULE-4820227146 [0,2,0,0,0,0|2,0,0]=4 2174 B7R0.4 NC(=O)COCCCl MCULE-1141300697 [0,2,0,0,0,0|1,1,0]=4 2175 B7R0.4 NC(=O)COCCO MCULE-3158372920 [0,2,0,0,0,0|1,1,0]=4 2176 B7R0.4 NC(=O)CSCCO MCULE-8225407259 [0,2,0,0,0,0|1,0,0]=3 2177 B7R0.4 NC(=O)NCCCO MCULE-3167491311 [0,2,0,0,0,0|2,0,0]=4 2178 B7R0.4 NCCCCC(=O)N MCULE-3198962228 [0,2,0,0,0,0|2,0,0]=4 2179 B7R0.4 NCCCCC(=O)N MCULE-7986221705 [0,2,0,0,0,0|2,0,0]=4 2180 B7R0.4 NCCCNC(=O)N MCULE-1109440921 [0,2,0,0,0,0|2,0,0]=4 2181 B7R0.4 NCCCNC(=O)N MCULE-3933221897 [0,2,0,0,0,0|2,0,0]=4 2182 B7R0.4 NCCSCC(=O)O MCULE-5565800206 [0,2,0,0,0,0|2,0,0]=4 2183 B7R0.4 NCCSCC(=O)O MCULE-8322098978 [0,2,0,0,0,0|2,0,0]=4 2184 B7R0.4 O=C(O)CSCCCl MCULE-5204967583 [0,2,0,0,0,0|2,0,0]=4 2185 B7R0.4 O=C(O)CSCCO MCULE-1062560307 [0,2,0,0,0,0|2,0,0]=4 2186 B7R0.6 C=C(C)CCC(=O)N MCULE-7602727888 [0,2,0,0,0,0|2,0,0]=4 2187 B7R0.6 C=C(C)CNC(=S)N MCULE-3514300945 [0,2,0,0,0,0|2,0,0]=4 2188 B7R0.6 CC(=O)CCC(=O)N MCULE-8943258659 [0,2,0,0,0,0|2,0,0]=4 2189 B7R0.6 CC(=O)CSC(C)C MCULE-6486341454 [0,2,0,0,0,0|2,0,0]=4 2190 B7R0.6 CC(C)CCC(=N)N MCULE-1131862481 [0,2,0,0,0,0|1,0,0]=3 2191 B7R0.6 CC(C)CCC(=N)N MCULE-3040841257 [0,2,0,0,0,0|1,0,0]=3 2192 B7R0.6 CC(C)CCC(=O)N MCULE-3571818514 [0,2,0,0,0,0|2,0,0]=4 2193 B7R0.6 CC(C)CCC(=S)N MCULE-7175463316 [0,2,0,0,0,0|2,0,0]=4 2194 B7R0.6 CC(C)CNC(=O)N MCULE-8112905719 [0,2,0,0,0,0|2,0,0]=4 2195 B7R0.6 CC(C)CNC(=S)N MCULE-4099725026 [0,2,0,0,0,0|2,0,0]=4 2196 B7R0.6 CC(C)COC(=O)N MCULE-3163620577 [0,2,0,0,0,0|1,1,0]=4 2197 B7R0.6 CC(C)CSC(=N)N MCULE-3628542246 [0,2,0,0,0,0|0,0,0]=2 2198 B7R0.6 CC(C)CSC(=N)N MCULE-5586193026 [0,2,0,0,0,0|0,0,0]=2 2199 B7R0.6 CC(C)NCC(=O)N MCULE-3100213662 [0,2,0,0,0,0|2,0,0]=4 2200 B7R0.6 CC(C)NCC(=O)N MCULE-9178070179 [0,2,0,0,0,0|2,0,0]=4 2201 B7R0.6 CC(C)OCC(=S)N MCULE-8843903229 [0,2,0,0,0,0|1,1,0]=4 2202 B7R0.6 CC(C)SCC(=O)O MCULE-3990750464 [0,2,0,0,0,0|2,0,0]=4 2203 B7R0.6 CN(C)CCC(=N)N MCULE-3452380324 [0,2,0,0,0,0|1,0,0]=3 2204 B7R0.6 CN(C)CCC(=N)N MCULE-7661734671 [0,2,0,0,0,0|1,0,0]=3 2205 B7R0.6 CN(C)CCC(=N)N MCULE-9745909230 [0,2,0,0,0,0|1,0,0]=3 2206 B7R0.6 N=C(N)NCC(=O)O MCULE-8180759180 [0,2,0,0,0,0|1,0,1]=4 2207 B7R0.6 N=C(N)NCC(=O)O MCULE-8327589872 [0,2,0,0,0,0|1,0,1]=4 2208 B7R0.6 N=C(N)SCC(=O)N MCULE-5295318661 [0,2,0,0,0,0|0,0,1]=3 2209 B7R0.6 N=C(N)SCC(=O)N MCULE-9179434239 [0,2,0,0,0,0|0,0,1]=3 2210 B7R0.6 N=C(N)SCC(=O)O MCULE-2089510220 [0,2,0,0,0,0|0,0,1]=3 2211 B7R0.6 N=C(N)SCC(=O)O MCULE-3427937751 [0,2,0,0,0,0|0,0,1]=3 2212 B7R0.6 N=C(N)SSC(=N)N MCULE-7984707833 [0,2,0,0,0,0|1,0,1]=4 2213 B7R0.6 N=C(N)SSC(=N)N MCULE-9603699543 [0,2,0,0,0,0|1,0,1]=4 2214 B7R0.6 NC(=O)SCC(=O)O MCULE-2409074226 [0,2,0,0,0,0|1,0,1]=4 2215 B7R0.6 NC(=S)NCC(F)F MCULE-8527119474 [0,2,0,0,0,0|2,0,0]=4 2216 B5R1.2 BrC1=CCC1 MCULE-7839710306 [1,0,0,1,0,0|2,0,0]=4 2217 B5R1.2 C=C1CCC1 MCULE-8318650413 [1,0,0,1,0,0|2,0,0]=4 2218 B5R1.2 CC1CCN1 MCULE-7952714343 [1,0,0,1,0,0|1,0,1]=4 2219 B5R1.2 CC1CCN1 MCULE-9084374728 [1,0,0,1,0,0|1,0,1]=4 2220 B5R1.2 C[C@@H]1CCN1 MCULE-1326888606 [1,0,0,1,0,0|1,0,1]=4 2221 B5R1.2 C[C@@H]1CCN1 MCULE-4242598105 [1,0,0,1,0,0|1,0,1]=4 2222 B5R1.2 C[C@@H]1CCN1 MCULE-7982357684 [1,0,0,1,0,0|1,0,1]=4 2223 B5R1.2 C[C@@H]1CCN1 MCULE-9443505478 [1,0,0,1,0,0|1,0,1]=4 2224 B5R1.2 C[C@H]1CCN1 MCULE-3178162849 [1,0,0,1,0,0|1,0,1]=4 2225 B5R1.2 C[C@H]1CCN1 MCULE-4001397038 [1,0,0,1,0,0|1,0,1]=4 2226 B5R1.2 C[C@H]1CCN1 MCULE-4361200248 [1,0,0,1,0,0|1,0,1]=4 2227 B5R1.2 C[C@H]1CCN1 MCULE-6534579029 [1,0,0,1,0,0|1,0,1]=4 2228 B5R1.2 NC1CCC1 MCULE-7511834789 [1,0,0,1,0,0|1,0,1]=4 2229 B5R1.2 NC1CCC1 MCULE-9118406840 [1,0,0,1,0,0|1,0,1]=4 2230 B5R1.2 NN1CCC1 MCULE-8176731673 [1,0,0,1,0,0|2,0,0]=4 2231 B5R1.2 NN1CCC1 MCULE-8382619719 [1,0,0,1,0,0|2,0,0]=4 2232 B5R1.2 O=C1CCC1 MCULE-4870967355 [1,0,0,1,0,0|2,0,0]=4 2233 B5R1.2 O=C1CCN1 MCULE-9053067221 [1,0,0,1,0,0|1,0,0]=3 2234 B5R1.2 O=C1CCO1 MCULE-1277069147 [1,0,0,1,0,0|2,0,0]=4 2235 B5R1.4 CC1CC1N MCULE-4472318973 [1,0,0,1,0,0|1,0,1]=4 2236 B5R1.4 CC1CC1N MCULE-8037315228 [1,0,0,1,0,0|1,0,1]=4 2237 B5R1.4 C[C@@H]1C[C@@H]1N MCULE-6282896395 [1,0,0,1,0,0|1,0,1]=4 2238 B5R1.4 C[C@@H]1C[C@H]1N MCULE-1526017761 [1,0,0,1,0,0|1,0,1]=4 2239 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7111745511 [1,0,0,1,0,0|1,0,1]=4 2240 B5R1.4 C[C@@H]1C[C@H]1N MCULE-7879046644 [1,0,0,1,0,0|1,0,1]=4 2241 B5R1.4 C[C@@H]1C[C@H]1N MCULE-9805986423 [1,0,0,1,0,0|1,0,1]=4 2242 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9525222696 [1,0,0,1,0,0|1,0,1]=4 2243 B5R1.4 C[C@H]1C[C@@H]1N MCULE-9658987958 [1,0,0,1,0,0|1,0,1]=4 2244 B5R1.4 C[C@H]1C[C@H]1N MCULE-4953477750 [1,0,0,1,0,0|1,0,1]=4 2245 B5R1.4 C[C@H]1C[C@H]1N MCULE-6429810931 [1,0,0,1,0,0|1,0,1]=4 2246 B5R1.5 CC1(CC1)N MCULE-5669720871 [1,0,0,1,0,0|1,0,1]=4 2247 B5R1.5 CC1(CC1)N MCULE-6964629714 [1,0,0,1,0,0|1,0,1]=4 2248 B5R1.5 NC1(CC1)O MCULE-6134507215 [1,0,0,1,0,0|1,0,1]=4 2249 B5R1.5 NC1(CC1)O MCULE-9233065159 [1,0,0,1,0,0|1,0,1]=4 2250 B5R1.1 C1=CCCC1 MCULE-8785635218 [1,0,0,1,0,0|2,0,0]=4 2251 B5R1.1 C1=COCC1 MCULE-7714726225 [1,0,0,1,0,0|1,1,0]=4 2252 B5R1.1 C1=CSC=N1 MCULE-2839580990 [1,0,0,1,0,0|0,0,2]=4 2253 B5R1.1 C1=NCCN1 MCULE-6281004177 [1,0,0,1,0,0|1,0,0]=3 2254 B5R1.1 C1=NN=CS1 MCULE-1697345730 [1,0,0,1,0,0|1,0,1]=4 2255 B5R1.1 C1=NNCC1 MCULE-2270087414 [1,0,0,1,0,0|2,0,0]=4 2256 B5R1.1 C1CCNC1 MCULE-2816679267 [1,0,0,1,0,0|1,0,1]=4 2257 B5R1.1 C1CCNC1 MCULE-8439725600 [1,0,0,1,0,0|1,0,1]=4 2258 B5R1.1 C1CCNC1 MCULE-8653165010 [1,0,0,1,0,0|1,0,1]=4 2259 B5R1.1 C1CCNC1 MCULE-9053007443 [1,0,0,1,0,0|1,0,1]=4 2260 B5R1.1 C1CCSC1 MCULE-4519380555 [1,0,0,1,0,0|1,0,1]=4 2261 B5R1.1 C1CNCN1 MCULE-6666768806 [1,0,0,1,0,0|1,0,1]=4 2262 B5R1.1 C1CNNC1 MCULE-9192384720 [1,0,0,1,0,0|2,0,0]=4 2263 B5R1.1 C1CNNC1 MCULE-9418244562 [1,0,0,1,0,0|2,0,0]=4 2264 B5R1.1 C1CNOC1 MCULE-3922840312 [1,0,0,1,0,0|2,0,0]=4 2265 B5R1.1 C1CNOC1 MCULE-6084499894 [1,0,0,1,0,0|2,0,0]=4 2266 B5R1.1 C1COCN1 MCULE-4693733872 [1,0,0,1,0,0|0,1,1]=4 2267 B5R1.1 C1CSCN1 MCULE-1445529876 [1,0,0,1,0,0|0,0,1]=3 2268 B5R1.1 C1CSCN1 MCULE-8646299838 [1,0,0,1,0,0|0,0,1]=3 2269 B5R1.1 C1CSCS1 MCULE-2954642463 [1,0,0,1,0,0|1,0,1]=4 2270 B7R1.1 CCC1=NCCN1 MCULE-4105881010 [0,1,0,1,0,0|2,0,0]=4 2271 B7R1.1 CCC1=NCCO1 MCULE-3838550511 [0,1,0,1,0,0|1,1,0]=4 2272 B7R1.1 CNC1=NC=CS1 MCULE-8467756988 [0,1,0,1,0,0|0,0,2]=4 2273 B7R1.1 CNC1=NC=NS1 MCULE-8672668486 [0,1,0,1,0,0|1,0,1]=4 2274 B7R1.1 CNC1=NCCN1 MCULE-8411755728 [0,1,0,1,0,0|1,0,0]=3 2275 B7R1.1 CNC1=NCCN1 MCULE-9337116685 [0,1,0,1,0,0|1,0,0]=3 2276 B7R1.1 CNC1=NN=CS1 MCULE-7554595108 [0,1,0,1,0,0|1,0,1]=4 2277 B7R1.1 COC1=CCCN1 MCULE-6283476666 [0,1,0,1,0,0|2,0,0]=4 2278 B7R1.1 COC1=NCCC1 MCULE-2625712954 [0,1,0,1,0,0|2,0,0]=4 2279 B7R1.1 COC1=NCCN1 MCULE-4640802770 [0,1,0,1,0,0|2,0,0]=4 2280 B7R1.1 CSC1=NCCN1 MCULE-2508776031 [0,1,0,1,0,0|2,0,0]=4 2281 B7R1.1 CSC1=NCCN1 MCULE-3552473411 [0,1,0,1,0,0|2,0,0]=4 2282 B7R1.1 CSC1=NCCN1 MCULE-6313819915 [0,1,0,1,0,0|2,0,0]=4 2283 B7R1.1 CSC1=NCCS1 MCULE-1809491558 [0,1,0,1,0,0|1,0,0]=3 2284 B7R1.1 CSC1=NCCS1 MCULE-6651129000 [0,1,0,1,0,0|1,0,0]=3 2285 B7R1.1 ClCC1=NCCN1 MCULE-1496461910 [0,1,0,1,0,0|2,0,0]=4 2286 B7R1.1 ClCC1=NCCN1 MCULE-6501608310 [0,1,0,1,0,0|2,0,0]=4 2287 B7R1.1 ClCC1=NCCO1 MCULE-8789331570 [0,1,0,1,0,0|1,1,0]=4 2288 B7R1.1 NCC1=NC=CS1 MCULE-2850974677 [0,1,0,1,0,0|0,0,2]=4 2289 B7R1.1 NCC1=NC=CS1 MCULE-5132159035 [0,1,0,1,0,0|0,0,2]=4 2290 B7R1.1 NCC1=NC=CS1 MCULE-6824522664 [0,1,0,1,0,0|0,0,2]=4 2291 B7R1.1 NCC1=NN=CS1 MCULE-1804522206 [0,1,0,1,0,0|1,0,1]=4 2292 B7R1.1 NCC1=NN=CS1 MCULE-3787914996 [0,1,0,1,0,0|1,0,1]=4 2293 B7R1.1 NCC1=NN=CS1 MCULE-8525484301 [0,1,0,1,0,0|1,0,1]=4 2294 B7R1.1 NCC1CCCS1 MCULE-5278325816 [0,1,0,1,0,0|1,0,1]=4 2295 B7R1.1 NCC1SCCS1 MCULE-1964630168 [0,1,0,1,0,0|1,0,1]=4 2296 B7R1.1 NCC1SCCS1 MCULE-6937478627 [0,1,0,1,0,0|1,0,1]=4 2297 B7R1.1 NNC1=NC=CS1 MCULE-4039106179 [0,1,0,1,0,0|0,0,2]=4 2298 B7R1.1 NNC1=NC=CS1 MCULE-7813036897 [0,1,0,1,0,0|0,0,2]=4 2299 B7R1.1 NNC1=NCCN1 MCULE-2311438625 [0,1,0,1,0,0|1,0,0]=3 2300 B7R1.1 NNC1=NCCN1 MCULE-7559191980 [0,1,0,1,0,0|1,0,0]=3 2301 B7R1.1 NNC1=NCCN1 MCULE-9981367264 [0,1,0,1,0,0|1,0,0]=3 2302 B7R1.1 NNC1=NCCS1 MCULE-1838294249 [0,1,0,1,0,0|0,0,0]=2 2303 B7R1.1 NNC1=NCCS1 MCULE-6956519805 [0,1,0,1,0,0|0,0,0]=2 2304 B7R1.1 NNC1=NCCS1 MCULE-9752634474 [0,1,0,1,0,0|0,0,0]=2 2305 B7R1.1 NNC1=NN=CS1 MCULE-1435106455 [0,1,0,1,0,0|1,0,1]=4 2306 B7R1.1 O/N=C/1\CCCN1 MCULE-9494233692 [0,1,0,1,0,0|1,0,0]=3 2307 B7R1.1 OCC1=NCCO1 MCULE-9432593363 [0,1,0,1,0,0|1,1,0]=4 2308 B7R1.1 ON=C1CCCC1 MCULE-9338449832 [0,1,0,1,0,0|2,0,0]=4 2309 B7R1.2 C1(CNC(=O)C1)N MCULE-6663942203 [0,1,0,1,0,0|2,0,0]=4 2310 B7R1.2 C1(CNC(=O)C1)N MCULE-7862049809 [0,1,0,1,0,0|2,0,0]=4 2311 B7R1.2 C1(CNC(=O)C1)O MCULE-5557473335 [0,1,0,1,0,0|2,0,0]=4 2312 B7R1.2 C1(COC(=O)N1)C MCULE-2821940224 [0,1,0,1,0,0|1,1,0]=4 2313 B7R1.2 C=C1CNC(=S)S1 MCULE-5840114105 [0,1,0,1,0,0|1,0,1]=4 2314 B7R1.2 CC1=CC(=CS1)N MCULE-4677626148 [0,1,0,1,0,0|1,0,1]=4 2315 B7R1.2 CC1=CC(=CS1)N MCULE-4954759044 [0,1,0,1,0,0|1,0,1]=4 2316 B7R1.2 CC1=CC(=NO1)N MCULE-4538523254 [0,1,0,1,0,0|1,0,1]=4 2317 B7R1.2 CC1=CC(=NS1)N MCULE-2006841208 [0,1,0,1,0,0|1,0,1]=4 2318 B7R1.2 CC1=CC(=NS1)N MCULE-5644544748 [0,1,0,1,0,0|1,0,1]=4 2319 B7R1.2 CC1=CC=C(S1)N MCULE-1672887913 [0,1,0,1,0,0|1,0,1]=4 2320 B7R1.2 CC1=CC=C(S1)N MCULE-4947745341 [0,1,0,1,0,0|1,0,1]=4 2321 B7R1.2 CC1=CN=C(N1)N MCULE-5849111364 [0,1,0,1,0,0|1,0,1]=4 2322 B7R1.2 CC1=CN=C(N1)N MCULE-9885122590 [0,1,0,1,0,0|1,0,1]=4 2323 B7R1.2 CC1=CN=C(O1)N MCULE-5846833894 [0,1,0,1,0,0|0,1,1]=4 2324 B7R1.2 CC1=CN=C(S1)Br MCULE-5024376122 [0,1,0,1,0,0|1,0,1]=4 2325 B7R1.2 CC1=CN=C(S1)C MCULE-9725720944 [0,1,0,1,0,0|1,0,1]=4 2326 B7R1.2 CC1=CN=C(S1)Cl MCULE-4868939891 [0,1,0,1,0,0|1,0,1]=4 2327 B7R1.2 CC1=CN=C(S1)I MCULE-2496302523 [0,1,0,1,0,0|1,0,1]=4 2328 B7R1.2 CC1=CN=C(S1)N MCULE-5408259983 [0,1,0,1,0,0|0,0,1]=3 2329 B7R1.2 CC1=CN=C(S1)N MCULE-8973432865 [0,1,0,1,0,0|0,0,1]=3 2330 B7R1.2 CC1=CN=C(S1)O MCULE-4228024619 [0,1,0,1,0,0|1,0,1]=4 2331 B7R1.2 CC1=CNC(=N1)N MCULE-2945170552 [0,1,0,1,0,0|1,0,1]=4 2332 B7R1.2 CC1=COC(=N)N1 MCULE-2875662146 [0,1,0,1,0,0|0,1,1]=4 2333 B7R1.2 CC1=CSC(=C1)N MCULE-6517545234 [0,1,0,1,0,0|1,0,1]=4 2334 B7R1.2 CC1=CSC(=C1)N MCULE-8640058932 [0,1,0,1,0,0|1,0,1]=4 2335 B7R1.2 CC1=CSC(=N1)Br MCULE-2425418650 [0,1,0,1,0,0|1,0,1]=4 2336 B7R1.2 CC1=CSC(=N1)C MCULE-2033387460 [0,1,0,1,0,0|1,0,1]=4 2337 B7R1.2 CC1=CSC(=N1)Cl MCULE-4864147999 [0,1,0,1,0,0|1,0,1]=4 2338 B7R1.2 CC1=CSC(=N1)F MCULE-7988737526 [0,1,0,1,0,0|1,0,1]=4 2339 B7R1.2 CC1=CSC(=N1)I MCULE-5254623055 [0,1,0,1,0,0|1,0,1]=4 2340 B7R1.2 CC1=CSC(=N1)N MCULE-3421653397 [0,1,0,1,0,0|0,0,1]=3 2341 B7R1.2 CC1=CSC(=N1)N MCULE-6034667920 [0,1,0,1,0,0|0,0,1]=3 2342 B7R1.2 CC1=CSC(=N1)S MCULE-4701705565 [0,1,0,1,0,0|1,0,1]=4 2343 B7R1.2 CC1=CSC(=O)N1 MCULE-6083480700 [0,1,0,1,0,0|1,0,1]=4 2344 B7R1.2 CC1=NC(=CS1)Br MCULE-7210746643 [0,1,0,1,0,0|1,0,1]=4 2345 B7R1.2 CC1=NC(=CS1)N MCULE-3086911944 [0,1,0,1,0,0|0,0,1]=3 2346 B7R1.2 CC1=NC(=CS1)N MCULE-4543325094 [0,1,0,1,0,0|0,0,1]=3 2347 B7R1.2 CC1=NC(=CS1)O MCULE-2657600711 [0,1,0,1,0,0|1,0,1]=4 2348 B7R1.2 CC1=NC(=NO1)N MCULE-8189524601 [0,1,0,1,0,0|0,1,1]=4 2349 B7R1.2 CC1=NC(=NS1)N MCULE-3543160039 [0,1,0,1,0,0|0,0,1]=3 2350 B7R1.2 CC1=NC(CC1)C MCULE-9630685459 [0,1,0,1,0,0|2,0,0]=4 2351 B7R1.2 CC1=NC(CO1)C MCULE-2489340707 [0,1,0,1,0,0|1,1,0]=4 2352 B7R1.2 CC1=NC(CS1)C MCULE-8843957654 [0,1,0,1,0,0|1,0,0]=3 2353 B7R1.2 CC1=NC=C(O1)N MCULE-9670426348 [0,1,0,1,0,0|0,1,1]=4 2354 B7R1.2 CC1=NC=C(S1)Br MCULE-7258487155 [0,1,0,1,0,0|1,0,1]=4 2355 B7R1.2 CC1=NC=C(S1)Cl MCULE-5653448054 [0,1,0,1,0,0|1,0,1]=4 2356 B7R1.2 CC1=NC=C(S1)I MCULE-1452945094 [0,1,0,1,0,0|1,0,1]=4 2357 B7R1.2 CC1=NC=C(S1)N MCULE-2117348978 [0,1,0,1,0,0|0,0,1]=3 2358 B7R1.2 CC1=NC=C(S1)N MCULE-3448900159 [0,1,0,1,0,0|0,0,1]=3 2359 B7R1.2 CC1=NN=C(C1)N MCULE-4185535753 [0,1,0,1,0,0|1,0,1]=4 2360 B7R1.2 CC1=NN=C(N1)N MCULE-5689037308 [0,1,0,1,0,0|1,0,1]=4 2361 B7R1.2 CC1=NN=C(O1)N MCULE-4286573489 [0,1,0,1,0,0|0,1,1]=4 2362 B7R1.2 CC1=NN=C(S1)Br MCULE-4043353456 [0,1,0,1,0,0|1,0,1]=4 2363 B7R1.2 CC1=NN=C(S1)C MCULE-1619155212 [0,1,0,1,0,0|1,0,1]=4 2364 B7R1.2 CC1=NN=C(S1)Cl MCULE-1360893454 [0,1,0,1,0,0|1,0,1]=4 2365 B7R1.2 CC1=NN=C(S1)I MCULE-9281283251 [0,1,0,1,0,0|1,0,1]=4 2366 B7R1.2 CC1=NN=C(S1)N MCULE-5420643525 [0,1,0,1,0,0|0,0,1]=3 2367 B7R1.2 CC1=NN=C(S1)O MCULE-6682631031 [0,1,0,1,0,0|1,0,1]=4 2368 B7R1.2 CC1=NN=C(S1)S MCULE-2337694708 [0,1,0,1,0,0|1,0,1]=4 2369 B7R1.2 CC1=NNC(=C1)N MCULE-5982415678 [0,1,0,1,0,0|1,0,1]=4 2370 B7R1.2 CC1=NNC(=C1)N MCULE-8265446300 [0,1,0,1,0,0|1,0,1]=4 2371 B7R1.2 CC1=NNC(=C1)N MCULE-8755398394 [0,1,0,1,0,0|1,0,1]=4 2372 B7R1.2 CC1=NNC(=N1)N MCULE-9479901379 [0,1,0,1,0,0|1,0,1]=4 2373 B7R1.2 CC1=NOC(=C1)N MCULE-2719601999 [0,1,0,1,0,0|1,0,1]=4 2374 B7R1.2 CC1=NOC(=N1)N MCULE-7788127715 [0,1,0,1,0,0|0,1,1]=4 2375 B7R1.2 CC1=NSC(=C1)N MCULE-1333657417 [0,1,0,1,0,0|1,0,1]=4 2376 B7R1.2 CC1=NSC(=C1)N MCULE-4917388600 [0,1,0,1,0,0|1,0,1]=4 2377 B7R1.2 CC1=NSC(=C1)N MCULE-8270730297 [0,1,0,1,0,0|1,0,1]=4 2378 B7R1.2 CC1=NSC(=N1)Br MCULE-2107286103 [0,1,0,1,0,0|1,0,1]=4 2379 B7R1.2 CC1=NSC(=N1)C MCULE-4847029690 [0,1,0,1,0,0|1,0,1]=4 2380 B7R1.2 CC1=NSC(=N1)Cl MCULE-9782684030 [0,1,0,1,0,0|1,0,1]=4 2381 B7R1.2 CC1=NSC(=N1)F MCULE-1604415487 [0,1,0,1,0,0|1,0,1]=4 2382 B7R1.2 CC1=NSC(=N1)I MCULE-8953961171 [0,1,0,1,0,0|1,0,1]=4 2383 B7R1.2 CC1=NSC(=N1)N MCULE-1116233819 [0,1,0,1,0,0|0,0,1]=3 2384 B7R1.2 CC1=NSC(=N1)N MCULE-9350984385 [0,1,0,1,0,0|0,0,1]=3 2385 B7R1.2 CC1CC(=NO1)N MCULE-8353889650 [0,1,0,1,0,0|1,0,0]=3 2386 B7R1.2 CC1CC(=O)CS1 MCULE-7518365363 [0,1,0,1,0,0|2,0,0]=4 2387 B7R1.2 CC1CC(=O)NN1 MCULE-2056748401 [0,1,0,1,0,0|2,0,0]=4 2388 B7R1.2 CC1CC(=O)NN1 MCULE-8107476665 [0,1,0,1,0,0|2,0,0]=4 2389 B7R1.2 CC1CC(CS1)N MCULE-2886562999 [0,1,0,1,0,0|1,0,1]=4 2390 B7R1.2 CC1CCC(=N1)N MCULE-3470792627 [0,1,0,1,0,0|1,0,0]=3 2391 B7R1.2 CC1CCC(=N1)N MCULE-7952001291 [0,1,0,1,0,0|1,0,0]=3 2392 B7R1.2 CC1CCC(=O)N1 MCULE-8928464449 [0,1,0,1,0,0|2,0,0]=4 2393 B7R1.2 CC1CCC(=O)N1 MCULE-9236321365 [0,1,0,1,0,0|2,0,0]=4 2394 B7R1.2 CC1CN=C(O1)N MCULE-2936787754 [0,1,0,1,0,0|0,1,0]=3 2395 B7R1.2 CC1CN=C(O1)N MCULE-5542499755 [0,1,0,1,0,0|0,1,0]=3 2396 B7R1.2 CC1CN=C(S1)N MCULE-5641549444 [0,1,0,1,0,0|0,0,0]=2 2397 B7R1.2 CC1CN=C(S1)N MCULE-9229369376 [0,1,0,1,0,0|0,0,0]=2 2398 B7R1.2 CC1CNC(=O)C1 MCULE-7180589009 [0,1,0,1,0,0|2,0,0]=4 2399 B7R1.2 CC1CNC(=O)N1 MCULE-3789430210 [0,1,0,1,0,0|2,0,0]=4 2400 B7R1.2 CC1CNC(=O)O1 MCULE-1288358267 [0,1,0,1,0,0|1,1,0]=4 2401 B7R1.2 CC1CNC(=S)N1 MCULE-5305006156 [0,1,0,1,0,0|2,0,0]=4 2402 B7R1.2 CC1CNC(=S)S1 MCULE-1131079445 [0,1,0,1,0,0|1,0,0]=3 2403 B7R1.2 CC1COC(=O)N1 MCULE-5787960105 [0,1,0,1,0,0|1,1,0]=4 2404 B7R1.2 CC1COC(=S)N1 MCULE-4793665300 [0,1,0,1,0,0|1,1,0]=4 2405 B7R1.2 CC1CSC(=O)S1 MCULE-5074098161 [0,1,0,1,0,0|2,0,0]=4 2406 B7R1.2 CC1CSC(=S)N1 MCULE-9334196132 [0,1,0,1,0,0|1,0,0]=3 2407 B7R1.2 CC1NCC(=O)N1 MCULE-9790180398 [0,1,0,1,0,0|2,0,0]=4 2408 B7R1.2 CN1C=C(C=N1)N MCULE-7517990417 [0,1,0,1,0,0|2,0,0]=4 2409 B7R1.2 CN1C=C(C=N1)N MCULE-7697659912 [0,1,0,1,0,0|2,0,0]=4 2410 B7R1.2 CN1C=C(C=N1)N MCULE-9265648600 [0,1,0,1,0,0|2,0,0]=4 2411 B7R1.2 CN1C=C(N=N1)N MCULE-1821401692 [0,1,0,1,0,0|2,0,0]=4 2412 B7R1.2 CN1C=C(N=N1)N MCULE-6350695471 [0,1,0,1,0,0|2,0,0]=4 2413 B7R1.2 CN1C=CC(=N1)N MCULE-3298296740 [0,1,0,1,0,0|1,0,1]=4 2414 B7R1.2 CN1C=CC(=N1)N MCULE-8862989081 [0,1,0,1,0,0|1,0,1]=4 2415 B7R1.2 CN1C=NC(=C1)N MCULE-6675652850 [0,1,0,1,0,0|2,0,0]=4 2416 B7R1.2 CN1C=NC(=C1)N MCULE-6776822943 [0,1,0,1,0,0|2,0,0]=4 2417 B7R1.2 CN1C=NC(=C1)N MCULE-7634413330 [0,1,0,1,0,0|2,0,0]=4 2418 B7R1.2 CN1C=NC(=N1)N MCULE-1050208144 [0,1,0,1,0,0|1,0,1]=4 2419 B7R1.2 CN1C=NC(=N1)N MCULE-1270255380 [0,1,0,1,0,0|1,0,1]=4 2420 B7R1.2 CN1C=NC(=N1)N MCULE-3890729099 [0,1,0,1,0,0|1,0,1]=4 2421 B7R1.2 CN1N=CC(=N1)N MCULE-3355279946 [0,1,0,1,0,0|2,0,0]=4 2422 B7R1.2 CN1N=CC(=N1)N MCULE-5746157035 [0,1,0,1,0,0|2,0,0]=4 2423 B7R1.2 CN1N=CC(=N1)N MCULE-9047961784 [0,1,0,1,0,0|2,0,0]=4 2424 B7R1.2 CN1N=NC(=N1)N MCULE-7913101199 [0,1,0,1,0,0|2,0,0]=4 2425 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-1621276410 [0,1,0,1,0,0|2,0,0]=4 2426 B7R1.2 C[C@@H]1CC(=O)CN1 MCULE-8721208019 [0,1,0,1,0,0|2,0,0]=4 2427 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-2915942259 [0,1,0,1,0,0|2,0,0]=4 2428 B7R1.2 C[C@@H]1CCC(=O)N1 MCULE-8123247569 [0,1,0,1,0,0|2,0,0]=4 2429 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-2439559922 [0,1,0,1,0,0|2,0,0]=4 2430 B7R1.2 C[C@@H]1CNC(=O)C1 MCULE-7246323100 [0,1,0,1,0,0|2,0,0]=4 2431 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-8336717940 [0,1,0,1,0,0|1,1,0]=4 2432 B7R1.2 C[C@@H]1CNC(=O)O1 MCULE-9661080313 [0,1,0,1,0,0|1,1,0]=4 2433 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-2439588002 [0,1,0,1,0,0|1,1,0]=4 2434 B7R1.2 C[C@@H]1COC(=O)N1 MCULE-5329850427 [0,1,0,1,0,0|1,1,0]=4 2435 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-3272300487 [0,1,0,1,0,0|2,0,0]=4 2436 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-4583858198 [0,1,0,1,0,0|2,0,0]=4 2437 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-5135895304 [0,1,0,1,0,0|2,0,0]=4 2438 B7R1.2 C[C@H]1CC(=O)CN1 MCULE-6058896534 [0,1,0,1,0,0|2,0,0]=4 2439 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-2618122031 [0,1,0,1,0,0|2,0,0]=4 2440 B7R1.2 C[C@H]1CCC(=O)N1 MCULE-6630066118 [0,1,0,1,0,0|2,0,0]=4 2441 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-3395896178 [0,1,0,1,0,0|2,0,0]=4 2442 B7R1.2 C[C@H]1CNC(=O)C1 MCULE-8492971593 [0,1,0,1,0,0|2,0,0]=4 2443 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7240884474 [0,1,0,1,0,0|1,1,0]=4 2444 B7R1.2 C[C@H]1COC(=O)N1 MCULE-7811823319 [0,1,0,1,0,0|1,1,0]=4 2445 B7R1.2 C[C@H]1CSC(=S)N1 MCULE-6690407523 [0,1,0,1,0,0|1,0,0]=3 2446 B7R1.2 N=C1CSC(=N1)N MCULE-1758228599 [0,1,0,1,0,0|0,0,1]=3 2447 B7R1.2 N=C1CSC(=N1)N MCULE-8821439430 [0,1,0,1,0,0|0,0,1]=3 2448 B7R1.2 N=C1CSC(=O)N1 MCULE-9647262906 [0,1,0,1,0,0|1,0,1]=4 2449 B7R1.2 N=C1NC(=O)SS1 MCULE-7339465409 [0,1,0,1,0,0|1,0,1]=4 2450 B7R1.2 NC1=CC(=O)CS1 MCULE-9118810823 [0,1,0,1,0,0|1,0,1]=4 2451 B7R1.2 NC1=CN=C(S1)Br MCULE-3724906209 [0,1,0,1,0,0|1,0,1]=4 2452 B7R1.2 NC1=CN=C(S1)Br MCULE-5806390579 [0,1,0,1,0,0|1,0,1]=4 2453 B7R1.2 NC1=CN=C(S1)Br MCULE-7736739619 [0,1,0,1,0,0|1,0,1]=4 2454 B7R1.2 NC1=CN=C(S1)F MCULE-7666555873 [0,1,0,1,0,0|1,0,1]=4 2455 B7R1.2 NC1=CSC(=N1)Br MCULE-1318301399 [0,1,0,1,0,0|1,0,1]=4 2456 B7R1.2 NC1=CSC(=N1)Br MCULE-6493134567 [0,1,0,1,0,0|1,0,1]=4 2457 B7R1.2 NC1=CSC(=N1)N MCULE-4736308679 [0,1,0,1,0,0|0,0,2]=4 2458 B7R1.2 NC1=CSC(=N1)N MCULE-5279369252 [0,1,0,1,0,0|0,0,2]=4 2459 B7R1.2 NC1=NC(=CS1)Br MCULE-2960337527 [0,1,0,1,0,0|0,0,2]=4 2460 B7R1.2 NC1=NC(=CS1)Cl MCULE-6935745102 [0,1,0,1,0,0|0,0,2]=4 2461 B7R1.2 NC1=NC(=CS1)Cl MCULE-7593089270 [0,1,0,1,0,0|0,0,2]=4 2462 B7R1.2 NC1=NC(=CS1)O MCULE-3638877946 [0,1,0,1,0,0|0,0,2]=4 2463 B7R1.2 NC1=NC(=NS1)Br MCULE-1866481789 [0,1,0,1,0,0|1,0,1]=4 2464 B7R1.2 NC1=NC(=NS1)Cl MCULE-3642370123 [0,1,0,1,0,0|1,0,1]=4 2465 B7R1.2 NC1=NC(=O)CO1 MCULE-5739646901 [0,1,0,1,0,0|0,1,1]=4 2466 B7R1.2 NC1=NC(=O)CS1 MCULE-1329225872 [0,1,0,1,0,0|0,0,1]=3 2467 B7R1.2 NC1=NC(=O)CS1 MCULE-6008399337 [0,1,0,1,0,0|0,0,1]=3 2468 B7R1.2 NC1=NC=C(S1)Br MCULE-2030629126 [0,1,0,1,0,0|0,0,2]=4 2469 B7R1.2 NC1=NC=C(S1)Br MCULE-2303466899 [0,1,0,1,0,0|0,0,2]=4 2470 B7R1.2 NC1=NC=C(S1)Br MCULE-3055255831 [0,1,0,1,0,0|0,0,2]=4 2471 B7R1.2 NC1=NC=C(S1)Br MCULE-9735114751 [0,1,0,1,0,0|0,0,2]=4 2472 B7R1.2 NC1=NC=C(S1)Cl MCULE-6889285221 [0,1,0,1,0,0|0,0,2]=4 2473 B7R1.2 NC1=NC=C(S1)F MCULE-2829646291 [0,1,0,1,0,0|0,0,2]=4 2474 B7R1.2 NC1=NC=C(S1)F MCULE-5116684630 [0,1,0,1,0,0|0,0,2]=4 2475 B7R1.2 NC1=NC=C(S1)I MCULE-9377846860 [0,1,0,1,0,0|0,0,2]=4 2476 B7R1.2 NC1=NC=C(S1)S MCULE-9384450325 [0,1,0,1,0,0|0,0,2]=4 2477 B7R1.2 NC1=NCC(=O)N1 MCULE-7816305365 [0,1,0,1,0,0|1,0,1]=4 2478 B7R1.2 NC1=NCC(=O)N1 MCULE-9546104284 [0,1,0,1,0,0|1,0,1]=4 2479 B7R1.2 NC1=NCC(=O)S1 MCULE-1885235061 [0,1,0,1,0,0|0,0,1]=3 2480 B7R1.2 NC1=NN=C(S1)Br MCULE-7894440609 [0,1,0,1,0,0|1,0,1]=4 2481 B7R1.2 NC1=NN=C(S1)Cl MCULE-6963108457 [0,1,0,1,0,0|1,0,1]=4 2482 B7R1.2 NC1=NN=C(S1)N MCULE-7888480973 [0,1,0,1,0,0|1,0,1]=4 2483 B7R1.2 NC1=NN=C(S1)O MCULE-9726286357 [0,1,0,1,0,0|1,0,1]=4 2484 B7R1.2 NC1=NN=C(S1)S MCULE-1701649963 [0,1,0,1,0,0|1,0,1]=4 2485 B7R1.2 NC1=NN=C(S1)[S-] MCULE-9249139476 [0,1,0,1,0,0|1,0,1]=4 2486 B7R1.2 NC1=NSC(=N1)Cl MCULE-7863205434 [0,1,0,1,0,0|1,0,1]=4 2487 B7R1.2 NC1=NSC(=N1)N MCULE-8497753162 [0,1,0,1,0,0|1,0,1]=4 2488 B7R1.2 NC1CCC(=O)N1 MCULE-1843033026 [0,1,0,1,0,0|2,0,0]=4 2489 B7R1.2 NC1CCC(=O)N1 MCULE-7671057220 [0,1,0,1,0,0|2,0,0]=4 2490 B7R1.2 NC1CNC(=O)C1 MCULE-1690074091 [0,1,0,1,0,0|2,0,0]=4 2491 B7R1.2 NC1CNC(=O)C1 MCULE-2563813057 [0,1,0,1,0,0|2,0,0]=4 2492 B7R1.2 NC1CNC(=O)C1 MCULE-5332234739 [0,1,0,1,0,0|2,0,0]=4 2493 B7R1.2 NC1CNC(=O)C1 MCULE-9955937074 [0,1,0,1,0,0|2,0,0]=4 2494 B7R1.2 NC1N=CC(=O)S1 MCULE-9874802810 [0,1,0,1,0,0|2,0,0]=4 2495 B7R1.2 NC1NC(=O)CS1 MCULE-5789159592 [0,1,0,1,0,0|2,0,0]=4 2496 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-1502944618 [0,1,0,1,0,0|2,0,0]=4 2497 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-2444469131 [0,1,0,1,0,0|2,0,0]=4 2498 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-7277309874 [0,1,0,1,0,0|2,0,0]=4 2499 B7R1.2 N[C@@H]1CNC(=O)C1 MCULE-8533160250 [0,1,0,1,0,0|2,0,0]=4 2500 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-1884894725 [0,1,0,1,0,0|2,0,0]=4 2501 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-2130809002 [0,1,0,1,0,0|2,0,0]=4 2502 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-3881338264 [0,1,0,1,0,0|2,0,0]=4 2503 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-4324375667 [0,1,0,1,0,0|2,0,0]=4 2504 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-5900761307 [0,1,0,1,0,0|2,0,0]=4 2505 B7R1.2 N[C@H]1CNC(=O)C1 MCULE-6007209179 [0,1,0,1,0,0|2,0,0]=4 2506 B7R1.2 O=C1CC(CN1)O MCULE-8498039777 [0,1,0,1,0,0|2,0,0]=4 2507 B7R1.2 O=C1CC(CN1)S MCULE-3257609096 [0,1,0,1,0,0|2,0,0]=4 2508 B7R1.2 O=C1CCC(N1)O MCULE-1790956080 [0,1,0,1,0,0|2,0,0]=4 2509 B7R1.2 O=C1CNC(=O)S1 MCULE-5050685903 [0,1,0,1,0,0|1,0,1]=4 2510 B7R1.2 O=C1CNC(=S)S1 MCULE-4359186239 [0,1,0,1,0,0|1,0,1]=4 2511 B7R1.2 O=C1CNC(S1)S MCULE-9237115672 [0,1,0,1,0,0|2,0,0]=4 2512 B7R1.2 O=C1CSC(=O)N1 MCULE-8206580994 [0,1,0,1,0,0|1,0,1]=4 2513 B7R1.2 O=C1CSC(=S)N1 MCULE-8840169234 [0,1,0,1,0,0|1,0,1]=4 2514 B7R1.2 O=C1C[C@@H](CN1)O MCULE-2016792324 [0,1,0,1,0,0|2,0,0]=4 2515 B7R1.2 O=C1C[C@@H](CN1)O MCULE-9756194758 [0,1,0,1,0,0|2,0,0]=4 2516 B7R1.2 O=C1C[C@H](CN1)O MCULE-2017150152 [0,1,0,1,0,0|2,0,0]=4 2517 B7R1.2 O=C1C[C@H](CN1)O MCULE-5168961542 [0,1,0,1,0,0|2,0,0]=4 2518 B7R1.2 O=C1C[C@H](CN1)S MCULE-6980612759 [0,1,0,1,0,0|2,0,0]=4 2519 B7R1.2 O=C1C[C@H](CN1)S MCULE-7205538285 [0,1,0,1,0,0|2,0,0]=4 2520 B7R1.2 O=C1NC(=S)CS1 MCULE-8601205978 [0,1,0,1,0,0|1,0,1]=4 2521 B7R1.3 BrC1=CCCNC1 MCULE-1016336040 [0,1,0,1,0,0|2,0,0]=4 2522 B7R1.3 BrC1=CCCNC1 MCULE-9845052592 [0,1,0,1,0,0|2,0,0]=4 2523 B7R1.3 C=C1CCCCN1 MCULE-8375354748 [0,1,0,1,0,0|2,0,0]=4 2524 B7R1.3 C=C1CCCNC1 MCULE-2588575300 [0,1,0,1,0,0|2,0,0]=4 2525 B7R1.3 C=C1CCCNC1 MCULE-9758065019 [0,1,0,1,0,0|2,0,0]=4 2526 B7R1.3 CC1=CCCNC1 MCULE-8145216779 [0,1,0,1,0,0|2,0,0]=4 2527 B7R1.3 CC1=CCCNC1 MCULE-9021954061 [0,1,0,1,0,0|2,0,0]=4 2528 B7R1.3 CC1=NCCNC1 MCULE-2066788449 [0,1,0,1,0,0|2,0,0]=4 2529 B7R1.3 CC1CNCCS1 MCULE-7391261862 [0,1,0,1,0,0|1,0,1]=4 2530 B7R1.3 CC1CSCCN1 MCULE-2923436126 [0,1,0,1,0,0|1,0,1]=4 2531 B7R1.3 C[C@@H]1CSCCN1 MCULE-2613889704 [0,1,0,1,0,0|1,0,1]=4 2532 B7R1.3 C[C@H]1CSCCN1 MCULE-4076273874 [0,1,0,1,0,0|1,0,1]=4 2533 B7R1.3 ClC1=CCCNC1 MCULE-2132976242 [0,1,0,1,0,0|2,0,0]=4 2534 B7R1.3 ClC1=CCCNC1 MCULE-9013141821 [0,1,0,1,0,0|2,0,0]=4 2535 B7R1.3 FC1=CCCNC1 MCULE-5131057553 [0,1,0,1,0,0|2,0,0]=4 2536 B7R1.3 FC1=CCCNC1 MCULE-8459145085 [0,1,0,1,0,0|2,0,0]=4 2537 B7R1.3 N=C1NCCCO1 MCULE-4713912893 [0,1,0,1,0,0|0,1,0]=3 2538 B7R1.3 N=C1NCCCS1 MCULE-5425383221 [0,1,0,1,0,0|0,0,0]=2 2539 B7R1.3 NC1=NCCCC1 MCULE-1020722938 [0,1,0,1,0,0|1,0,0]=3 2540 B7R1.3 NC1=NCCCC1 MCULE-9735306041 [0,1,0,1,0,0|1,0,0]=3 2541 B7R1.3 NC1=NCCCN1 MCULE-1407334516 [0,1,0,1,0,0|1,0,0]=3 2542 B7R1.3 NC1=NCCCN1 MCULE-1674112662 [0,1,0,1,0,0|1,0,0]=3 2543 B7R1.3 NC1=NCCCO1 MCULE-1909217779 [0,1,0,1,0,0|0,1,0]=3 2544 B7R1.3 NC1=NCCCS1 MCULE-2157831645 [0,1,0,1,0,0|0,0,0]=2 2545 B7R1.3 NC1=NCCCS1 MCULE-7522126566 [0,1,0,1,0,0|0,0,0]=2 2546 B7R1.3 NC1=NCCSC1 MCULE-4272591822 [0,1,0,1,0,0|0,0,0]=2 2547 B7R1.3 NC1CCCSC1 MCULE-5361360271 [0,1,0,1,0,0|1,0,1]=4 2548 B7R1.3 NC1CCCSC1 MCULE-5652416535 [0,1,0,1,0,0|1,0,1]=4 2549 B7R1.3 O=C1C=CCCN1 MCULE-9815380990 [0,1,0,1,0,0|2,0,0]=4 2550 B7R1.3 O=C1CCCCN1 MCULE-9168245534 [0,1,0,1,0,0|2,0,0]=4 2551 B7R1.3 O=C1CCCCS1 MCULE-5383777119 [0,1,0,1,0,0|2,0,0]=4 2552 B7R1.3 O=C1CCCNC1 MCULE-2774326662 [0,1,0,1,0,0|2,0,0]=4 2553 B7R1.3 O=C1CCCNC1 MCULE-8149766009 [0,1,0,1,0,0|2,0,0]=4 2554 B7R1.3 O=C1CCCSC1 MCULE-1649390503 [0,1,0,1,0,0|2,0,0]=4 2555 B7R1.3 O=C1CCNCN1 MCULE-5793765281 [0,1,0,1,0,0|2,0,0]=4 2556 B7R1.3 O=C1CNCCN1 MCULE-5599978871 [0,1,0,1,0,0|2,0,0]=4 2557 B7R1.3 O=C1CNCCO1 MCULE-2634056082 [0,1,0,1,0,0|1,1,0]=4 2558 B7R1.3 O=C1CNCCO1 MCULE-6420255529 [0,1,0,1,0,0|1,1,0]=4 2559 B7R1.3 O=C1COCCN1 MCULE-8242898041 [0,1,0,1,0,0|1,1,0]=4 2560 B7R1.3 O=C1CSCCN1 MCULE-1492056440 [0,1,0,1,0,0|1,0,0]=3 2561 B7R1.3 O=C1NCCCN1 MCULE-4876148406 [0,1,0,1,0,0|2,0,0]=4 2562 B7R1.3 O=C1NCCCO1 MCULE-9333383492 [0,1,0,1,0,0|1,1,0]=4 2563 B7R1.3 O=C1NNCCO1 MCULE-2913818828 [0,1,0,1,0,0|1,1,0]=4 2564 B7R1.3 S=C1CCCCN1 MCULE-2004608075 [0,1,0,1,0,0|2,0,0]=4 2565 B7R1.3 S=C1COCCN1 MCULE-1743172522 [0,1,0,1,0,0|1,1,0]=4 2566 B7R1.3 S=C1NCCCN1 MCULE-6601711997 [0,1,0,1,0,0|2,0,0]=4 2567 B7R1.3 S=C1NCCCO1 MCULE-2364674450 [0,1,0,1,0,0|1,1,0]=4 2568 B7R1.3 S=C1NCCCS1 MCULE-8898215455 [0,1,0,1,0,0|1,0,0]=3 2569 B7R1.3 S=C1NCNCN1 MCULE-8557857293 [0,1,0,1,0,0|2,0,0]=4 2570 B7R1.3 SC1NCCCS1 MCULE-3586134698 [0,1,0,1,0,0|1,0,1]=4 2571 B7R1.4 C1(CCNC1=O)N MCULE-4906952813 [0,1,0,1,0,0|2,0,0]=4 2572 B7R1.4 C1(CCNC1=O)N MCULE-9500853209 [0,1,0,1,0,0|2,0,0]=4 2573 B7R1.4 C=C1CCNC1=O MCULE-2729105523 [0,1,0,1,0,0|2,0,0]=4 2574 B7R1.4 CC1CCNC1=O MCULE-7799644249 [0,1,0,1,0,0|2,0,0]=4 2575 B7R1.4 CC1CON=C1N MCULE-8845082604 [0,1,0,1,0,0|2,0,0]=4 2576 B7R1.4 CC1SCCC1N MCULE-5160182865 [0,1,0,1,0,0|1,0,1]=4 2577 B7R1.4 CC1SCCC1N MCULE-8827106279 [0,1,0,1,0,0|1,0,1]=4 2578 B7R1.4 CN1C=CSC1=N MCULE-1912030151 [0,1,0,1,0,0|0,0,2]=4 2579 B7R1.4 CN1C=CSC1=N MCULE-5071203135 [0,1,0,1,0,0|0,0,2]=4 2580 B7R1.4 CN1CCCC1=O MCULE-1381506705 [0,1,0,1,0,0|2,0,0]=4 2581 B7R1.4 CN1CCCC1=S MCULE-1990879544 [0,1,0,1,0,0|2,0,0]=4 2582 B7R1.4 CN1CCN=C1N MCULE-2837197751 [0,1,0,1,0,0|1,0,0]=3 2583 B7R1.4 CN1CCN=C1N MCULE-3453498956 [0,1,0,1,0,0|1,0,0]=3 2584 B7R1.4 CN1CCN=C1N MCULE-5148335318 [0,1,0,1,0,0|1,0,0]=3 2585 B7R1.4 CN1CCNC1=O MCULE-9774864412 [0,1,0,1,0,0|2,0,0]=4 2586 B7R1.4 CN1CCNC1=S MCULE-5960493935 [0,1,0,1,0,0|2,0,0]=4 2587 B7R1.4 CN1CCOC1=O MCULE-7467321799 [0,1,0,1,0,0|1,1,0]=4 2588 B7R1.4 CN1CCSC1=N MCULE-4301061048 [0,1,0,1,0,0|0,0,0]=2 2589 B7R1.4 CN1CCSC1=N MCULE-6525392774 [0,1,0,1,0,0|0,0,0]=2 2590 B7R1.4 CN1CCSC1=S MCULE-4468510205 [0,1,0,1,0,0|1,0,0]=3 2591 B7R1.4 C[C@@H]1CCNC1=O MCULE-1037883660 [0,1,0,1,0,0|2,0,0]=4 2592 B7R1.4 C[C@H]1CCNC1=O MCULE-9500360544 [0,1,0,1,0,0|2,0,0]=4 2593 B7R1.4 NC1CCCC1=O MCULE-3654949473 [0,1,0,1,0,0|2,0,0]=4 2594 B7R1.4 NC1CCCC1=O MCULE-6579965788 [0,1,0,1,0,0|2,0,0]=4 2595 B7R1.4 NC1CCNC1=O MCULE-2061829370 [0,1,0,1,0,0|2,0,0]=4 2596 B7R1.4 NC1CCNC1=O MCULE-4272585488 [0,1,0,1,0,0|2,0,0]=4 2597 B7R1.4 NC1CCOC1=O MCULE-1011670330 [0,1,0,1,0,0|1,1,0]=4 2598 B7R1.4 NC1CCOC1=O MCULE-1366805966 [0,1,0,1,0,0|1,1,0]=4 2599 B7R1.4 NC1CCOC1=O MCULE-1874490478 [0,1,0,1,0,0|1,1,0]=4 2600 B7R1.4 NC1CCOC1=O MCULE-4434379753 [0,1,0,1,0,0|1,1,0]=4 2601 B7R1.4 NC1CCOC1=O MCULE-7302633352 [0,1,0,1,0,0|1,1,0]=4 2602 B7R1.4 NC1CCOC1=O MCULE-8009953591 [0,1,0,1,0,0|1,1,0]=4 2603 B7R1.4 NC1CCSC1=O MCULE-5181497015 [0,1,0,1,0,0|1,0,0]=3 2604 B7R1.4 NC1CCSC1=O MCULE-8775141567 [0,1,0,1,0,0|1,0,0]=3 2605 B7R1.4 NN1CCCC1=O MCULE-2994786381 [0,1,0,1,0,0|2,0,0]=4 2606 B7R1.4 NN1CCCC1=O MCULE-5599329775 [0,1,0,1,0,0|2,0,0]=4 2607 B7R1.4 NN1CCNC1=O MCULE-9094725216 [0,1,0,1,0,0|2,0,0]=4 2608 B7R1.4 NN1CCNC1=S MCULE-6710971353 [0,1,0,1,0,0|2,0,0]=4 2609 B7R1.4 NN1CCOC1=O MCULE-7407834106 [0,1,0,1,0,0|1,1,0]=4 2610 B7R1.4 NN1CCOC1=O MCULE-8091613930 [0,1,0,1,0,0|1,1,0]=4 2611 B7R1.4 N[C@@H]1CCNC1=O MCULE-2357766642 [0,1,0,1,0,0|2,0,0]=4 2612 B7R1.4 N[C@@H]1CCNC1=O MCULE-9089591546 [0,1,0,1,0,0|2,0,0]=4 2613 B7R1.4 N[C@@H]1CCNC1=O MCULE-9558758567 [0,1,0,1,0,0|2,0,0]=4 2614 B7R1.4 N[C@@H]1CCNC1=O MCULE-9668255740 [0,1,0,1,0,0|2,0,0]=4 2615 B7R1.4 N[C@@H]1CCOC1=O MCULE-1027751896 [0,1,0,1,0,0|1,1,0]=4 2616 B7R1.4 N[C@@H]1CCOC1=O MCULE-4034349263 [0,1,0,1,0,0|1,1,0]=4 2617 B7R1.4 N[C@@H]1CCOC1=O MCULE-8790782772 [0,1,0,1,0,0|1,1,0]=4 2618 B7R1.4 N[C@@H]1CCOC1=O MCULE-9300265861 [0,1,0,1,0,0|1,1,0]=4 2619 B7R1.4 N[C@@H]1CCSC1=O MCULE-1269968791 [0,1,0,1,0,0|1,0,0]=3 2620 B7R1.4 N[C@@H]1CCSC1=O MCULE-5374422420 [0,1,0,1,0,0|1,0,0]=3 2621 B7R1.4 N[C@@H]1CCSC1=O MCULE-8203732076 [0,1,0,1,0,0|1,0,0]=3 2622 B7R1.4 N[C@@H]1CCSC1=O MCULE-8418670804 [0,1,0,1,0,0|1,0,0]=3 2623 B7R1.4 N[C@H]1CCNC1=O MCULE-2327147408 [0,1,0,1,0,0|2,0,0]=4 2624 B7R1.4 N[C@H]1CCNC1=O MCULE-2923469662 [0,1,0,1,0,0|2,0,0]=4 2625 B7R1.4 N[C@H]1CCNC1=O MCULE-5882745021 [0,1,0,1,0,0|2,0,0]=4 2626 B7R1.4 N[C@H]1CCNC1=O MCULE-7846724738 [0,1,0,1,0,0|2,0,0]=4 2627 B7R1.4 N[C@H]1CCOC1=O MCULE-4393293388 [0,1,0,1,0,0|1,1,0]=4 2628 B7R1.4 N[C@H]1CCOC1=O MCULE-4751602783 [0,1,0,1,0,0|1,1,0]=4 2629 B7R1.4 N[C@H]1CCOC1=O MCULE-7924572479 [0,1,0,1,0,0|1,1,0]=4 2630 B7R1.4 N[C@H]1CCOC1=O MCULE-8545644747 [0,1,0,1,0,0|1,1,0]=4 2631 B7R1.4 N[C@H]1CCOC1=O MCULE-8634641228 [0,1,0,1,0,0|1,1,0]=4 2632 B7R1.4 N[C@H]1CCSC1=O MCULE-4497814170 [0,1,0,1,0,0|1,0,0]=3 2633 B7R1.4 N[C@H]1CCSC1=O MCULE-6209097230 [0,1,0,1,0,0|1,0,0]=3 2634 B7R1.4 N[C@H]1CCSC1=O MCULE-6419348515 [0,1,0,1,0,0|1,0,0]=3 2635 B7R1.4 N[C@H]1CCSC1=O MCULE-9091827364 [0,1,0,1,0,0|1,0,0]=3 2636 B7R1.4 O=C1CCNC1=O MCULE-6243503430 [0,1,0,1,0,0|2,0,0]=4 2637 B7R1.4 O=C1NCCC1Br MCULE-5321265801 [0,1,0,1,0,0|2,0,0]=4 2638 B7R1.4 O=C1NCCC1Cl MCULE-1663035789 [0,1,0,1,0,0|2,0,0]=4 2639 B7R1.4 O=C1NCCC1F MCULE-2209899044 [0,1,0,1,0,0|2,0,0]=4 2640 B7R1.4 O=C1NCCC1O MCULE-8818841339 [0,1,0,1,0,0|2,0,0]=4 2641 B7R1.4 O=C1NCCC1O MCULE-9662824811 [0,1,0,1,0,0|2,0,0]=4 2642 B7R1.4 O=C1NCC[C@@H]1O MCULE-3212474164 [0,1,0,1,0,0|2,0,0]=4 2643 B7R1.4 O=C1NCC[C@@H]1O MCULE-7816291255 [0,1,0,1,0,0|2,0,0]=4 2644 B7R1.4 O=C1NCC[C@H]1O MCULE-1281835510 [0,1,0,1,0,0|2,0,0]=4 2645 B7R1.4 O=C1NCC[C@H]1O MCULE-6809356348 [0,1,0,1,0,0|2,0,0]=4 2646 B7R1.10 NCC1CC(=O)N1 MCULE-6099913032 [0,1,0,1,0,0|2,0,0]=4 2647 B7R1.10 O=C1CC(N1)CI MCULE-8223453504 [0,1,0,1,0,0|2,0,0]=4 2648 B7R1.10 O=C1CC(N1)CO MCULE-5966757004 [0,1,0,1,0,0|2,0,0]=4 2649 B7R1.10 O=C1CC(N1)CO MCULE-7672639952 [0,1,0,1,0,0|2,0,0]=4 2650 B7R1.10 O=C1C[C@@H](N1)CO MCULE-7235908958 [0,1,0,1,0,0|2,0,0]=4 2651 B7R1.10 O=C1C[C@@H](N1)CO MCULE-9940834935 [0,1,0,1,0,0|2,0,0]=4 2652 B7R1.10 O=C1C[C@H](N1)CO MCULE-1643787736 [0,1,0,1,0,0|2,0,0]=4 2653 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2032555036 [0,1,0,1,0,0|2,0,0]=4 2654 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-2738127555 [0,1,0,1,0,0|2,0,0]=4 2655 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-5044901082 [0,1,0,1,0,0|2,0,0]=4 2656 B7R1.15 C[C@@H]1NC(=O)[C@H]1N MCULE-7632990759 [0,1,0,1,0,0|2,0,0]=4 2657 B7R1.22 C/C(=N/O)/C1CC1 MCULE-9504873944 [0,1,0,1,0,0|2,0,0]=4 2658 B7R1.22 CC(=NO)C1CC1 MCULE-2639658638 [0,1,0,1,0,0|2,0,0]=4 2659 B7R1.22 CNC(=O)C1CC1 MCULE-5799863193 [0,1,0,1,0,0|2,0,0]=4 2660 B7R1.22 COC(=N)C1CC1 MCULE-3594886802 [0,1,0,1,0,0|2,0,0]=4 2661 B7R1.22 COC(=N)C1CC1 MCULE-6548060912 [0,1,0,1,0,0|2,0,0]=4 2662 B7R1.22 N/C(=N\O)/C1CC1 MCULE-1839060575 [0,1,0,1,0,0|1,0,0]=3 2663 B7R1.22 N/C(=N\O)/C1CC1 MCULE-7991254390 [0,1,0,1,0,0|1,0,0]=3 2664 B7R1.22 N=C(NN)C1CC1 MCULE-3706372467 [0,1,0,1,0,0|1,0,0]=3 2665 B7R1.22 NCC(=O)C1CC1 MCULE-1927654168 [0,1,0,1,0,0|2,0,0]=4 2666 B7R1.22 NCC(=O)C1CC1 MCULE-4415662894 [0,1,0,1,0,0|2,0,0]=4 2667 B7R1.22 NNC(=O)C1CC1 MCULE-3608531301 [0,1,0,1,0,0|2,0,0]=4 2668 B7R1.22 O=C(NO)C1CC1 MCULE-2299815322 [0,1,0,1,0,0|2,0,0]=4 2669 B7R1.12 CC1CC1C(=O)N MCULE-4145079494 [0,1,0,1,0,0|2,0,0]=4 2670 B7R1.12 CC1SC1C(=O)N MCULE-7010314546 [0,1,0,1,0,0|1,0,0]=3 2671 B7R1.12 NC(=O)C1CC1N MCULE-9433325277 [0,1,0,1,0,0|2,0,0]=4 2672 B7R1.12 NC(=O)[C@@H]1C[C@@H]1F MCULE-2857193174 [0,1,0,1,0,0|2,0,0]=4 2673 B7R1.16 CC1(CC(=O)N1)C MCULE-5555898363 [0,1,0,1,0,0|2,0,0]=4 2674 B7R1.20 N=C(N)CC1CC1 MCULE-6959128379 [0,1,0,1,0,0|1,0,0]=3 2675 B7R1.20 N=C(N)CC1CC1 MCULE-7106217917 [0,1,0,1,0,0|1,0,0]=3 2676 B7R1.20 N=C(N)NC1CC1 MCULE-6195253401 [0,1,0,1,0,0|1,0,0]=3 2677 B7R1.20 N=C(N)NC1CC1 MCULE-7842873377 [0,1,0,1,0,0|1,0,0]=3 2678 B7R1.20 N=C(N)NC1CC1 MCULE-9778544365 [0,1,0,1,0,0|1,0,0]=3 2679 B7R1.20 NC(=NC1CC1)N MCULE-4635451272 [0,1,0,1,0,0|1,0,1]=4 2680 B7R1.20 NC(=O)CC1CC1 MCULE-3835601763 [0,1,0,1,0,0|2,0,0]=4 2681 B7R1.20 NC(=O)CC1CO1 MCULE-9954364706 [0,1,0,1,0,0|2,0,0]=4 2682 B7R1.20 NC(=O)NC1CC1 MCULE-4338833542 [0,1,0,1,0,0|2,0,0]=4 2683 B7R1.20 NC(=S)CC1CC1 MCULE-3521862976 [0,1,0,1,0,0|2,0,0]=4 2684 B7R1.20 NC(=S)NC1CC1 MCULE-1691696534 [0,1,0,1,0,0|2,0,0]=4 2685 B7R1.18 N=C(N)C1CCC1 MCULE-3470535674 [0,1,0,1,0,0|1,0,0]=3 2686 B7R1.18 N=C(N)C1CCC1 MCULE-4802517706 [0,1,0,1,0,0|1,0,0]=3 2687 B7R1.18 N=C(N)C1CCC1 MCULE-5858986439 [0,1,0,1,0,0|1,0,0]=3 2688 B7R1.18 N=C(N)C1CSC1 MCULE-6979629096 [0,1,0,1,0,0|1,0,0]=3 2689 B7R1.18 N=C(N)C1CSC1 MCULE-8561937098 [0,1,0,1,0,0|1,0,0]=3 2690 B7R1.18 NC(=O)C1CCC1 MCULE-5151176129 [0,1,0,1,0,0|2,0,0]=4 2691 B7R1.18 NC(=O)C1CCN1 MCULE-1856696035 [0,1,0,1,0,0|2,0,0]=4 2692 B7R1.18 NC(=O)C1CCN1 MCULE-5757704016 [0,1,0,1,0,0|2,0,0]=4 2693 B7R1.18 NC(=O)C1CNC1 MCULE-2319282799 [0,1,0,1,0,0|2,0,0]=4 2694 B7R1.18 NC(=O)C1CNC1 MCULE-4985073048 [0,1,0,1,0,0|2,0,0]=4 2695 B7R1.18 NC(=O)C1CNC1 MCULE-8796959516 [0,1,0,1,0,0|2,0,0]=4 2696 B7R1.18 NC(=O)C1COC1 MCULE-1077689713 [0,1,0,1,0,0|2,0,0]=4 2697 B7R1.18 NC(=O)N1CCC1 MCULE-1594728830 [0,1,0,1,0,0|2,0,0]=4 2698 B7R1.18 NC(=O)[C@H]1CCN1 MCULE-7187425143 [0,1,0,1,0,0|2,0,0]=4 2699 B7R1.18 NC(=S)C1CCC1 MCULE-9753547991 [0,1,0,1,0,0|2,0,0]=4 2700 B7R1.18 NC(=S)N1CCC1 MCULE-5688954257 [0,1,0,1,0,0|2,0,0]=4 2701 B7R1.19 CC1(CC1)C(=N)N MCULE-1351695314 [0,1,0,1,0,0|1,0,0]=3 2702 B7R1.19 CC1(CC1)C(=N)N MCULE-5893769308 [0,1,0,1,0,0|1,0,0]=3 2703 B7R1.19 CC1(CC1)C(=O)N MCULE-7674282751 [0,1,0,1,0,0|2,0,0]=4 2704 B7R1.19 NC(=O)C1(CC1)Br MCULE-5824122510 [0,1,0,1,0,0|2,0,0]=4 2705 B7R1.19 NC(=O)C1(CC1)N MCULE-3982594366 [0,1,0,1,0,0|2,0,0]=4 2706 B7R1.19 NC(=O)C1(CC1)N MCULE-7935338610 [0,1,0,1,0,0|2,0,0]=4 2707 B7R1.19 NC(=O)C1(CC1)O MCULE-6542611632 [0,1,0,1,0,0|2,0,0]=4 2708 B7R1.14 CC1(NCCS1)C MCULE-6270583158 [0,1,0,1,0,0|1,0,1]=4