0 B4R0.1 BrCC(Br)Br D92392 [0,0,0,0,0,0|3,0,0]=3 1 B4R0.1 C#C[C@H](C)Cl T70555 [0,0,0,0,0,0|2,0,1]=3 2 B4R0.1 C#C[C@H](C)N AB10370 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.1 C=C(C)CC D91286 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.1 C=C(C)OC D91123 [0,0,0,0,0,0|3,0,1]=4 5 B4R0.1 C=C[C@H](C)Cl F11733 [0,0,0,0,0,0|2,0,1]=3 6 B4R0.1 CC(=O)C#N N12035 [0,0,0,0,0,0|1,0,3]=4 7 B4R0.1 CC(=O)CO S12357 [0,0,0,0,0,0|0,0,2]=2 8 B4R0.1 CC(=O)C[Hg+] C16200 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.1 CC(C)CI H11266 [0,0,0,0,0,0|2,0,0]=2 10 B4R0.1 CC(C)CN D91216 [0,0,0,0,0,0|2,0,0]=2 11 B4R0.1 CC(C)NO AT14836 [0,0,0,0,0,0|2,0,0]=2 12 B4R0.1 CCC(=O)Br D91967 [0,0,0,0,0,0|2,0,2]=4 13 B4R0.1 CC[C@H](C)N D86790 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CC[Si](Cl)Cl D89935 [0,0,0,0,0,0|3,1,0]=4 15 B4R0.1 CN(C)C#N D89796 [0,0,0,0,0,0|3,0,1]=4 16 B4R0.1 CSC(C)C D91165 [0,0,0,0,0,0|3,0,0]=3 17 B4R0.1 CS[S+](C)C T71091 [0,0,0,0,0,0|4,0,0]=4 18 B4R0.1 C[C@H](O)CBr D73281 [0,0,0,0,0,0|1,0,0]=1 19 B4R0.1 C[C@H](O)CN D91104 [0,0,0,0,0,0|1,0,0]=1 20 B4R0.1 C\C=C(/C)Br D88804 [0,0,0,0,0,0|2,0,2]=4 21 B4R0.1 C\C=C(/C)Cl T70927 [0,0,0,0,0,0|2,0,2]=4 22 B4R0.1 C\C=C(\C)Cl T70584 [0,0,0,0,0,0|2,0,2]=4 23 B4R0.1 N=C(N)CCl C11400 [0,0,0,0,0,0|3,0,1]=4 24 B4R0.1 NC(=O)CF A10407 [0,0,0,0,0,0|2,0,2]=4 25 B4R0.1 O=C(O)CI H11974 [0,0,0,0,0,0|2,0,1]=3 26 B4R0.1 O=C([O-])CO D90726 [0,0,0,0,0,0|1,0,2]=3 27 B4R0.1 O=CC(Cl)Cl D89627 [0,0,0,0,0,0|2,0,2]=4 28 B3R0.1 C=CCN 68202 [1,0,0,0,0,0|1,0,2]=4 29 B3R0.1 C=CCS D88323 [1,0,0,0,0,0|0,1,2]=4 30 B3R0.1 CC#CC D88719 [1,0,0,0,0,0|1,0,2]=4 31 B3R0.1 CN=C=S P20003 [1,0,0,0,0,0|1,1,1]=4 32 B3R0.1 C\C=C/Br 23063 [1,0,0,0,0,0|1,0,2]=4 33 B3R0.1 C\C=C/Cl D89227 [1,0,0,0,0,0|1,0,2]=4 34 B3R0.1 C\C=C\Br D88739 [1,0,0,0,0,0|1,0,2]=4 35 B3R0.1 NCCCl D87646 [1,0,0,0,0,0|2,0,0]=3 36 B3R0.1 NCCF D87785 [1,0,0,0,0,0|2,0,0]=3 37 B3R0.1 NCCN D88914 [1,0,0,0,0,0|2,0,0]=3 38 B3R0.1 NCCS D88360 [1,0,0,0,0,0|1,1,0]=3 39 B3R0.2 C=C(C)Cl D89355 [1,0,0,0,0,0|1,0,2]=4 40 B3R0.2 CC(=O)I D88212 [1,0,0,0,0,0|1,0,2]=4 41 B3R0.2 CC(=O)[O-] AC2627 [1,0,0,0,0,0|0,0,3]=4 42 B3R0.2 CC(=O)[O-] D74533 [1,0,0,0,0,0|0,0,3]=4 43 B3R0.2 CC(C)N D91217 [1,0,0,0,0,0|1,0,0]=2 44 B3R0.2 CC(C)[Mg+] F20330 [1,0,0,0,0,0|1,0,0]=2 45 B3R0.2 CC(C)[O-] T72084 [1,0,0,0,0,0|0,0,1]=2 46 B3R0.2 CC(C)[O-] T72816 [1,0,0,0,0,0|0,0,1]=2 47 B3R0.2 CC(O)=S A11392 [1,0,0,0,0,0|0,1,1]=3 48 B3R0.2 C[Pt+](C)C F10278 [1,0,0,0,0,0|2,0,0]=3 49 B3R0.2 C[S+](C)C D92490 [1,0,0,0,0,0|2,0,0]=3 50 B3R0.2 C[Si](Cl)Cl D89641 [1,0,0,0,0,0|2,1,0]=4 51 B3R0.2 C[SnH2+](C)C H11332 [1,0,0,0,0,0|2,0,0]=3 52 B5R0.1 C#CCC(C)C D91298 [0,1,0,0,0,0|2,0,0]=3 53 B5R0.1 C#CCN(C)C AT19964 [0,1,0,0,0,0|3,0,0]=4 54 B5R0.1 C#CC[C@H](C)O F16209 [0,1,0,0,0,0|1,0,0]=2 55 B5R0.1 C=COC(C)C 28748 [0,1,0,0,0,0|2,0,1]=4 56 B5R0.1 CC#CC(C)C D91299 [0,1,0,0,0,0|2,0,1]=4 57 B5R0.1 CC(=O)CCN 89829 [0,1,0,0,0,0|1,0,2]=4 58 B5R0.1 CC(=O)\C=N\O 34785 [0,1,0,0,0,0|0,0,3]=4 59 B5R0.1 CC(C)=CCCl D89386 [0,1,0,0,0,0|2,0,1]=4 60 B5R0.1 CC(C)CCCl D89213 [0,1,0,0,0,0|2,0,0]=3 61 B5R0.1 CC(C)CCI D91070 [0,1,0,0,0,0|2,0,0]=3 62 B5R0.1 CC(C)CCN D91075 [0,1,0,0,0,0|2,0,0]=3 63 B5R0.1 CC(C)CCS D91090 [0,1,0,0,0,0|1,1,0]=3 64 B5R0.1 CCC=C(C)C D91353 [0,1,0,0,0,0|2,0,1]=4 65 B5R0.1 CCOC(C)=S 28959 [0,1,0,0,0,0|1,1,1]=4 66 B5R0.1 CCOC(C)C D90509 [0,1,0,0,0,0|2,0,0]=3 67 B5R0.1 CCSC(C)C D90463 [0,1,0,0,0,0|2,0,0]=3 68 B5R0.1 CN(C)CC=O D82969 [0,1,0,0,0,0|2,0,1]=4 69 B5R0.1 CN(C)CC=O D87734 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 CN(C)CCCl D88148 [0,1,0,0,0,0|3,0,0]=4 71 B5R0.1 CN(C)CCO A11060 [0,1,0,0,0,0|2,0,0]=3 72 B5R0.1 COC[C@H](C)N 88101 [0,1,0,0,0,0|1,0,0]=2 73 B5R0.1 COC[C@H](C)O E72455 [0,1,0,0,0,0|0,0,0]=1 74 B5R0.1 C[C@H](O)CCN C80087 [0,1,0,0,0,0|1,0,0]=2 75 B5R0.1 C\C(Cl)=C/CCl D89634 [0,1,0,0,0,0|2,0,1]=4 76 B5R0.1 C\C=C\C(C)C D91327 [0,1,0,0,0,0|2,0,1]=4 77 B5R0.1 NOCC(=O)O AT14480 [0,1,0,0,0,0|1,0,1]=3 78 B5R0.3 C=C[C@@H](C)CC D91359 [0,1,0,0,0,0|2,0,0]=3 79 B5R0.3 CC[C@H](C)CCl D89366 [0,1,0,0,0,0|2,0,0]=3 80 B5R0.3 CC[C@H](C)OC D88882 [0,1,0,0,0,0|1,0,0]=2 81 B5R0.3 CC[C@H](Cl)CCl D89631 [0,1,0,0,0,0|2,0,0]=3 82 B5R0.3 CC[C@H](S)CS D89045 [0,1,0,0,0,0|0,2,0]=3 83 B5R0.3 CC\C(N)=N\O V10166 [0,1,0,0,0,0|2,0,1]=4 84 B5R0.3 COC(=O)CF F11448 [0,1,0,0,0,0|1,0,2]=4 85 B5R0.3 COC(C)OC D89692 [0,1,0,0,0,0|2,0,0]=3 86 B5R0.3 CO[Si](C)OC D89993 [0,1,0,0,0,0|2,1,0]=4 87 B5R0.3 C[C@@H](CO)CBr D76160 [0,1,0,0,0,0|1,0,0]=2 88 B5R0.3 C\C=C(/C)CC D91312 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.3 C\C=C(\C)CC T73073 [0,1,0,0,0,0|2,0,1]=4 90 B5R0.3 ClC[C@H](Br)CBr D89298 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.3 N#C[C@@H](Br)CBr F17522 [0,1,0,0,0,0|2,0,1]=4 92 B5R0.3 N=C(CO)NO D75090 [0,1,0,0,0,0|1,0,1]=3 93 B5R0.3 OC(CF)CF 96887 [0,1,0,0,0,0|1,0,0]=2 94 B5R0.3 O[C@@H](CF)CCl 94770 [0,1,0,0,0,0|1,0,0]=2 95 B5R0.4 C#CC(C)(C)N AT19954 [0,1,0,0,0,0|2,0,1]=4 96 B5R0.4 CC(C)(C)C=O D78124 [0,1,0,0,0,0|1,0,2]=4 97 B5R0.4 CC(F)(F)C#N AT12469 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.4 CCC(C)(C)C D89700 [0,1,0,0,0,0|2,0,0]=3 99 B5R0.4 CCC(C)(C)Cl D89214 [0,1,0,0,0,0|2,0,0]=3 100 B5R0.4 CCC(C)(C)[NH3+] D88364 [0,1,0,0,0,0|2,0,0]=3 101 B5R0.4 CCC(C)(Cl)Cl D89782 [0,1,0,0,0,0|2,0,0]=3 102 B5R0.4 CC[Si](C)(C)Cl D89600 [0,1,0,0,0,0|2,1,0]=4 103 B5R0.4 C[Si](C)(C)CCl I11290 [0,1,0,0,0,0|2,1,0]=4 104 B5R0.4 C[Si](C)(C)CS T71963 [0,1,0,0,0,0|1,2,0]=4 105 B5R0.4 ClCC(Cl)(Cl)Cl D92380 [0,1,0,0,0,0|3,0,0]=4 106 B5R0.4 FC(F)(Br)CBr H11747 [0,1,0,0,0,0|3,0,0]=4 107 B5R0.4 FC(F)(F)CS AT13672 [0,1,0,0,0,0|2,1,0]=4 108 B5R0.5 C=C(C)C(C)C D89792 [0,1,0,0,0,0|2,0,1]=4 109 B5R0.5 CC(=O)[C@H](C)O D93492 [0,1,0,0,0,0|0,0,2]=3 110 B5R0.5 CC(C)C(=O)Br D91083 [0,1,0,0,0,0|1,0,2]=4 111 B5R0.5 CC(Cl)C(C)Cl D89633 [0,1,0,0,0,0|2,0,0]=3 112 B5R0.5 C[C@H](Cl)C(Cl)Cl D92379 [0,1,0,0,0,0|2,0,0]=3 113 B5R0.5 C[C@H](N)C(N)=O FD21068 [0,1,0,0,0,0|1,0,2]=4 114 B5R0.5 C[C@H](O)C(N)=O D91225 [0,1,0,0,0,0|0,0,2]=3 115 B5R0.5 O=C(O)C(=O)O A11520 [0,1,0,0,0,0|1,0,2]=4 116 B5R0.5 O=C(O)[C@@H](F)Cl AT19759 [0,1,0,0,0,0|2,0,1]=4 117 B5R0.5 O=C(O)[C@@H](F)Cl AT19773 [0,1,0,0,0,0|2,0,1]=4 118 B5R1.2 OC1CNC1 S11377 [0,0,0,1,0,0|1,0,0]=2 119 B5R1.3 CC[C@H]1CO1 D89036 [0,0,0,1,0,0|1,0,0]=2 120 B5R1.3 FC[C@H]1CO1 AT22387 [0,0,0,1,0,0|1,0,0]=2 121 B5R1.3 NCC1CC1 AT12997 [0,0,0,1,0,0|2,0,0]=3 122 B5R1.3 OCC1CC1 F10303 [0,0,0,1,0,0|1,0,0]=2 123 B5R1.4 C[C@@H]1O[C@@H]1C D85879 [0,0,0,1,0,0|1,0,0]=2 124 B5R1.5 CC1(C)CS1 D91159 [0,0,0,1,0,0|1,1,0]=3 125 B5R1.5 CC1(N)CC1 W10114 [0,0,0,1,0,0|2,0,0]=3 126 B2R0.1 CC[O-] F19542 [2,0,0,0,0,0|0,0,1]=3 127 B2R0.1 CC[O-] H12076 [2,0,0,0,0,0|0,0,1]=3 128 B2R0.1 CNC D90364 [2,0,0,0,0,0|1,0,0]=3 129 B2R0.1 CSC D89934 [2,0,0,0,0,0|1,0,0]=3 130 B2R0.1 C[Se]C T71107 [2,0,0,0,0,0|1,0,0]=3 131 B2R0.1 N#CO D91614 [2,0,0,0,0,0|1,0,1]=4 132 B4R0.2 C#CCCC D91892 [1,1,0,0,0,0|1,0,0]=3 133 B4R0.2 C#COCC 29666 [1,1,0,0,0,0|1,0,1]=4 134 B4R0.2 C=CSCC D90486 [1,1,0,0,0,0|1,0,1]=4 135 B4R0.2 CC#CCC D91988 [1,1,0,0,0,0|1,0,1]=4 136 B4R0.2 CCCCC D91890 [1,1,0,0,0,0|1,0,0]=3 137 B4R0.2 CCCCN T70340 [1,1,0,0,0,0|1,0,0]=3 138 B4R0.2 CCCNN AC6659 [1,1,0,0,0,0|1,0,0]=3 139 B4R0.2 CCCOC D91344 [1,1,0,0,0,0|0,0,0]=2 140 B4R0.2 CCCON AC8673 [1,1,0,0,0,0|0,0,0]=2 141 B4R0.2 CCCSC D91585 [1,1,0,0,0,0|0,1,0]=3 142 B4R0.2 CCNCC D89660 [1,1,0,0,0,0|1,0,0]=3 143 B4R0.2 CCOC=N A11323 [1,1,0,0,0,0|1,0,1]=4 144 B4R0.2 CCSC#N D92318 [1,1,0,0,0,0|1,0,1]=4 145 B4R0.2 CCSCC W13859 [1,1,0,0,0,0|1,0,0]=3 146 B4R0.2 CNCC#N D91283 [1,1,0,0,0,0|1,0,1]=4 147 B4R0.2 CNCC#N D91284 [1,1,0,0,0,0|1,0,1]=4 148 B4R0.2 CSCCN F53618 [1,1,0,0,0,0|1,0,0]=3 149 B4R0.2 C\C=C/CBr D88665 [1,1,0,0,0,0|1,0,1]=4 150 B4R0.2 C\C=C\CC D91989 [1,1,0,0,0,0|1,0,1]=4 151 B4R0.2 C\C=C\CCl D89204 [1,1,0,0,0,0|1,0,1]=4 152 B4R0.2 C\C=C\CO 41794 [1,1,0,0,0,0|0,0,1]=3 153 B4R0.2 ClCCCCl D89645 [1,1,0,0,0,0|1,0,0]=3 154 B4R0.2 ClCSCCl T70824 [1,1,0,0,0,0|2,0,0]=4 155 B4R0.2 FCCCF F10308 [1,1,0,0,0,0|1,0,0]=3 156 B4R0.2 N#CCCN AT19970 [1,1,0,0,0,0|1,0,1]=4 157 B4R0.2 NCCCN D88819 [1,1,0,0,0,0|1,0,0]=3 158 B4R0.2 NCCCO D88258 [1,1,0,0,0,0|0,0,0]=2 159 B4R0.2 OCC#CI AT14264 [1,1,0,0,0,0|0,0,2]=4 160 B4R0.3 CC(C)(C)N D87618 [1,1,0,0,0,0|1,0,0]=3 161 B4R0.3 CC(C)(C)N T70874 [1,1,0,0,0,0|1,0,0]=3 162 B4R0.3 CC(C)(C)S AT13962 [1,1,0,0,0,0|0,1,0]=3 163 B4R0.3 CC(C)(C)[Mg+] F20329 [1,1,0,0,0,0|1,0,0]=3 164 B4R0.3 CC(C)(C)[S-] AT13951 [1,1,0,0,0,0|0,1,0]=3 165 B4R0.3 CC(C)(Cl)Cl D89646 [1,1,0,0,0,0|1,0,0]=3 166 B4R0.3 C[As](C)(=O)O D89352 [1,1,0,0,0,0|1,0,0]=3 167 B4R0.3 C[Ge](C)(C)C D92458 [1,1,0,0,0,0|1,1,0]=4 168 B4R0.3 C[N+](C)(C)C D92635 [1,1,0,0,0,0|2,0,0]=4 169 B4R0.3 O=S(=O)(O)O D91345 [1,1,0,0,0,0|2,0,0]=4 170 B6R0.1 C#CC[C@@H](O)CC D90880 [0,2,0,0,0,0|1,0,0]=3 171 B6R0.1 C#C[C@@H](O)CCC D90806 [0,2,0,0,0,0|1,0,1]=4 172 B6R0.1 C=CC[C@@H](C)CC D91307 [0,2,0,0,0,0|2,0,0]=4 173 B6R0.1 C=CC[C@H](O)C=C F17450 [0,2,0,0,0,0|1,0,1]=4 174 B6R0.1 CCC[C@@H](C)CC D91320 [0,2,0,0,0,0|2,0,0]=4 175 B6R0.1 CCC[C@@H](O)CC F16582 [0,2,0,0,0,0|1,0,0]=3 176 B6R0.1 CCC[C@H](N)CO A10465 [0,2,0,0,0,0|1,0,0]=3 177 B6R0.1 CCC[C@H](N)CO A10469 [0,2,0,0,0,0|1,0,0]=3 178 B6R0.1 CCO[C@@H](Cl)CCl D89636 [0,2,0,0,0,0|2,0,0]=4 179 B6R0.1 CC[C@H](C)CCO D91364 [0,2,0,0,0,0|1,0,0]=3 180 B6R0.1 CC[C@H](C)CCO T72450 [0,2,0,0,0,0|1,0,0]=3 181 B6R0.1 CC[C@H](C)N=C=S D91163 [0,2,0,0,0,0|1,1,0]=4 182 B6R0.1 COC[C@H](C)OC D90270 [0,2,0,0,0,0|0,0,0]=2 183 B6R0.1 C[C@H](CO)CCN T71428 [0,2,0,0,0,0|1,0,0]=3 184 B6R0.1 C\C=C\[C@@H](C)CC D91310 [0,2,0,0,0,0|2,0,0]=4 185 B6R0.1 ClC[C@@H](Cl)CCBr D88839 [0,2,0,0,0,0|2,0,0]=4 186 B6R0.1 N#CC[C@H](O)CCl F20534 [0,2,0,0,0,0|1,0,0]=3 187 B6R0.2 C=C(C)CC(C)C D89820 [0,2,0,0,0,0|2,0,0]=4 188 B6R0.2 CC(C)CC(C)C D89716 [0,2,0,0,0,0|2,0,0]=4 189 B6R0.2 CC(C)C[C@H](C)N N12044 [0,2,0,0,0,0|2,0,0]=4 190 B6R0.2 CC(C)C[C@H](C)O D97159 [0,2,0,0,0,0|1,0,0]=3 191 B6R0.2 CC(C)C[C@H](C)O D97160 [0,2,0,0,0,0|1,0,0]=3 192 B6R0.2 CC(C)SC(C)C D91094 [0,2,0,0,0,0|2,0,0]=4 193 B6R0.3 C=C(C)[C@@H](C)CC T70795 [0,2,0,0,0,0|2,0,0]=4 194 B6R0.3 CC(O)C(O)CO D88714 [0,2,0,0,0,0|0,0,0]=2 195 B6R0.3 CCC(=O)C(C)C 29430 [0,2,0,0,0,0|2,0,0]=4 196 B6R0.3 CCC(=O)[C@H](C)S D91606 [0,2,0,0,0,0|1,1,0]=4 197 B6R0.3 CCC(C)C(C)O D91394 [0,2,0,0,0,0|1,0,0]=3 198 B6R0.3 CC[C@H](C)C(C)=O 29434 [0,2,0,0,0,0|1,0,1]=4 199 B6R0.3 CC[C@H](C)C(C)C D89715 [0,2,0,0,0,0|2,0,0]=4 200 B6R0.3 CC[C@H](Cl)C(=O)O T70777 [0,2,0,0,0,0|1,0,1]=4 201 B6R0.3 CC[C@H](Cl)C(=O)O T71033 [0,2,0,0,0,0|1,0,1]=4 202 B6R0.3 CC[C@H](N)C(=O)O 25311 [0,2,0,0,0,0|1,0,1]=4 203 B6R0.3 CC[C@H](O)C(=O)[O-] D90908 [0,2,0,0,0,0|0,0,2]=4 204 B6R0.3 CC[C@H](S)C(C)=O D91570 [0,2,0,0,0,0|1,1,0]=4 205 B6R0.3 CN[C@@H](C)C(=O)O AT16587 [0,2,0,0,0,0|1,0,1]=4 206 B6R0.3 CN[C@@H](C)C(=O)O FD21048 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.3 CN[C@@H](C)C(C)C D77563 [0,2,0,0,0,0|2,0,0]=4 208 B6R0.3 COC(=N)C(C)C F19214 [0,2,0,0,0,0|1,0,1]=4 209 B6R0.3 NC[C@H](N)C(=O)O 36687 [0,2,0,0,0,0|1,0,1]=4 210 B6R0.3 O=C([O-])C(O)CO D90733 [0,2,0,0,0,0|0,0,1]=3 211 B6R0.4 C#CCCC(C)C D91300 [0,2,0,0,0,0|2,0,0]=4 212 B6R0.4 C=CCCC(C)C D91308 [0,2,0,0,0,0|2,0,0]=4 213 B6R0.4 CC(C)CCC#N F17038 [0,2,0,0,0,0|2,0,0]=4 214 B6R0.4 CC(C)CN=C=S D91096 [0,2,0,0,0,0|1,1,0]=4 215 B6R0.4 CC(C)NCCN D91135 [0,2,0,0,0,0|2,0,0]=4 216 B6R0.4 CC(C)OCCN AT12492 [0,2,0,0,0,0|2,0,0]=4 217 B6R0.4 CC(C)SCCN AT25564 [0,2,0,0,0,0|2,0,0]=4 218 B6R0.4 CC(C)SCCO D91113 [0,2,0,0,0,0|1,0,0]=3 219 B6R0.4 CCCCC(C)C D91294 [0,2,0,0,0,0|2,0,0]=4 220 B6R0.4 CCCC[C@H](C)Br D88771 [0,2,0,0,0,0|2,0,0]=4 221 B6R0.4 CCCC[C@H](C)Cl D89320 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.4 CCCC[C@H](C)N A12776 [0,2,0,0,0,0|2,0,0]=4 223 B6R0.4 CCCC[C@H](C)O D97165 [0,2,0,0,0,0|1,0,0]=3 224 B6R0.4 CCCC[C@H](C)O D97166 [0,2,0,0,0,0|1,0,0]=3 225 B6R0.4 CCCSC(C)C D92018 [0,2,0,0,0,0|2,0,0]=4 226 B6R0.4 CCNC[C@H](C)O D90604 [0,2,0,0,0,0|1,0,0]=3 227 B6R0.4 CNCCC(C)C D72652 [0,2,0,0,0,0|2,0,0]=4 228 B6R0.4 C\C=C\CC(C)C D91309 [0,2,0,0,0,0|2,0,0]=4 229 B6R0.5 C=CCC(C)(C)O F13463 [0,2,0,0,0,0|1,0,0]=3 230 B6R0.5 CC(C)(C)CCN F17089 [0,2,0,0,0,0|2,0,0]=4 231 B6R0.5 CC(C)(C)CCN W10831 [0,2,0,0,0,0|2,0,0]=4 232 B6R0.5 CC(C)(N)CCO AC5985 [0,2,0,0,0,0|1,0,0]=3 233 B6R0.5 CCCC(C)(C)O D91458 [0,2,0,0,0,0|1,0,0]=3 234 B6R0.5 CCNC(C)(C)C D88712 [0,2,0,0,0,0|2,0,0]=4 235 B6R0.5 CCOC(C)(C)C N11919 [0,2,0,0,0,0|2,0,0]=4 236 B6R0.5 COC[Si](C)(C)C D91472 [0,2,0,0,0,0|1,1,0]=4 237 B6R0.8 C#C[C@@](C)(O)C=C D91483 [0,2,0,0,0,0|1,0,1]=4 238 B6R0.8 C#C[C@@](C)(O)CC D91328 [0,2,0,0,0,0|1,0,0]=3 239 B6R0.8 CC(C)(CCl)CCl C11337 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.8 CCC(C)(O)CC F16452 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.8 COC(C)(C)ON T71540 [0,2,0,0,0,0|2,0,0]=4 242 B6R0.9 CCC(CC)CC D90425 [0,2,0,0,0,0|2,0,0]=4 243 B6R0.9 CCC(CC)NC F11986 [0,2,0,0,0,0|2,0,0]=4 244 B6R0.9 CC[C@@H](CO)OC D91512 [0,2,0,0,0,0|0,0,0]=2 245 B6R0.9 OCC(CO)=NO D90059 [0,2,0,0,0,0|0,0,1]=3 246 B6R0.7 CC(C)(Cl)C(Cl)Cl D92461 [0,2,0,0,0,0|2,0,0]=4 247 B6R0.7 CC(C)C(C)(C)C D92381 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.7 CC(Cl)(Cl)C(=O)O D77631 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.7 C[C@H](Br)C(C)(Br)Br D92525 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.7 C[C@H](N)C(C)(C)C 70840 [0,2,0,0,0,0|2,0,0]=4 251 B6R0.7 C[C@H](N)C(C)(C)C D83289 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.7 C[C@H](N)C(C)(C)C N12137 [0,2,0,0,0,0|2,0,0]=4 253 B4R1.1 C1COC1 D92348 [1,0,0,1,0,0|0,0,0]=2 254 B4R1.1 C1CSC1 D92349 [1,0,0,1,0,0|0,1,0]=3 255 B4R1.2 NC1CC1 AT18321 [1,0,0,1,0,0|1,0,0]=3 256 B6R1.2 CC1OCCO1 D91291 [0,1,0,1,0,0|1,0,0]=3 257 B6R1.2 C[C@H]1CCCN1 W10111 [0,1,0,1,0,0|2,0,0]=4 258 B6R1.2 C[C@H]1COCO1 D91404 [0,1,0,1,0,0|0,0,0]=2 259 B6R1.2 OC1CCCC1 25002 [0,1,0,1,0,0|1,0,0]=3 260 B6R1.2 O[C@H]1CCNC1 O12064 [0,1,0,1,0,0|1,0,0]=3 261 B6R1.2 [Mg+]C1CCCC1 FD10627 [0,1,0,1,0,0|2,0,0]=4 262 B6R1.3 CCC[C@H]1CO1 D90574 [0,1,0,1,0,0|1,0,0]=3 263 B6R1.3 CSC[C@H]1CO1 F19305 [0,1,0,1,0,0|0,1,0]=3 264 B6R1.8 CC1CC1CO 73978 [0,1,0,1,0,0|1,0,0]=3 265 B6R1.6 COC1CNC1 63505 [0,1,0,1,0,0|1,0,0]=3 266 B6R1.6 CSC1CNC1 P11945 [0,1,0,1,0,0|1,1,0]=4 267 B6R1.6 NCC1CNC1 F53083 [0,1,0,1,0,0|2,0,0]=4