0 B4R0.1 BrC=C(Br)Br D92394 [0,0,0,0,0,0|3,0,1]=4 1 B4R0.1 BrCC(Br)Br D92392 [0,0,0,0,0,0|3,0,1]=4 2 B4R0.1 C#C[C@H](C)Cl T70555 [0,0,0,0,0,0|2,0,2]=4 3 B4R0.1 C#C[C@H](C)N AB10370 [0,0,0,0,0,0|2,0,2]=4 4 B4R0.1 C=C(C)CC D91286 [0,0,0,0,0,0|2,0,0]=2 5 B4R0.1 C=C(C)OC D91123 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.1 C=C[C@H](C)Cl F11733 [0,0,0,0,0,0|2,0,2]=4 7 B4R0.1 CC(=O)C#N N12035 [0,0,0,0,0,0|1,0,1]=2 8 B4R0.1 CC(=O)CO S12357 [0,0,0,0,0,0|0,0,0]=0 9 B4R0.1 CC(=O)C[Hg+] C16200 [0,0,0,0,0,0|1,0,0]=1 10 B4R0.1 CC(C)CI H11266 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 CC(C)CN D91216 [0,0,0,0,0,0|2,0,1]=3 12 B4R0.1 CC(C)NO AT14836 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.1 CCC(=O)Br D91967 [0,0,0,0,0,0|2,0,0]=2 14 B4R0.1 CC[C@H](C)N D86790 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.1 CC[Si](Cl)Cl D89935 [0,0,0,0,0,0|3,1,0]=4 16 B4R0.1 CN(C)C#N D89796 [0,0,0,0,0,0|3,0,1]=4 17 B4R0.1 CSC(C)C D91165 [0,0,0,0,0,0|3,0,1]=4 18 B4R0.1 CS[S+](C)C T71091 [0,0,0,0,0,0|4,0,0]=4 19 B4R0.1 C[C@H](O)CBr D73281 [0,0,0,0,0,0|1,0,2]=3 20 B4R0.1 C[C@H](O)CN D91104 [0,0,0,0,0,0|1,0,2]=3 21 B4R0.1 C\C=C(/C)Br D88804 [0,0,0,0,0,0|2,0,1]=3 22 B4R0.1 C\C=C(/C)Cl T70927 [0,0,0,0,0,0|2,0,1]=3 23 B4R0.1 C\C=C(\C)Cl T70584 [0,0,0,0,0,0|2,0,1]=3 24 B4R0.1 N=C(N)CCl C11400 [0,0,0,0,0,0|3,0,0]=3 25 B4R0.1 NC(=O)CF A10407 [0,0,0,0,0,0|2,0,0]=2 26 B4R0.1 NNC(N)=S E72548 [0,0,0,0,0,0|3,1,0]=4 27 B4R0.1 O=C(O)CI H11974 [0,0,0,0,0,0|2,0,0]=2 28 B4R0.1 O=C([O-])CO D90726 [0,0,0,0,0,0|1,0,0]=1 29 B3R0.1 C=CCN 68202 [1,0,0,0,0,0|1,0,1]=3 30 B3R0.1 C=CCS D88323 [1,0,0,0,0,0|0,1,1]=3 31 B3R0.1 CC#CC D88719 [1,0,0,0,0,0|1,0,2]=4 32 B3R0.1 CN=C=S P20003 [1,0,0,0,0,0|1,1,1]=4 33 B3R0.1 C\C=C/Br 23063 [1,0,0,0,0,0|1,0,1]=3 34 B3R0.1 C\C=C/Cl D89227 [1,0,0,0,0,0|1,0,1]=3 35 B3R0.1 C\C=C\Br D88739 [1,0,0,0,0,0|1,0,1]=3 36 B3R0.1 Cl\C=C/Cl D89638 [1,0,0,0,0,0|2,0,1]=4 37 B3R0.1 NCCCl D87646 [1,0,0,0,0,0|2,0,1]=4 38 B3R0.1 NCCF D87785 [1,0,0,0,0,0|2,0,1]=4 39 B3R0.1 NCCN D88914 [1,0,0,0,0,0|2,0,1]=4 40 B3R0.1 NCCS D88360 [1,0,0,0,0,0|1,1,1]=4 41 B3R0.2 C=C(C)Cl D89355 [1,0,0,0,0,0|1,0,1]=3 42 B3R0.2 CC(=O)I D88212 [1,0,0,0,0,0|1,0,0]=2 43 B3R0.2 CC(=O)[O-] AC2627 [1,0,0,0,0,0|0,0,1]=2 44 B3R0.2 CC(=O)[O-] D74533 [1,0,0,0,0,0|0,0,1]=2 45 B3R0.2 CC(C)N D91217 [1,0,0,0,0,0|1,0,1]=3 46 B3R0.2 CC(C)[Mg+] F20330 [1,0,0,0,0,0|1,0,1]=3 47 B3R0.2 CC(C)[O-] T72084 [1,0,0,0,0,0|0,0,2]=3 48 B3R0.2 CC(C)[O-] T72816 [1,0,0,0,0,0|0,0,2]=3 49 B3R0.2 CC(O)=S A11392 [1,0,0,0,0,0|0,1,0]=2 50 B3R0.2 C[Pt+](C)C F10278 [1,0,0,0,0,0|2,0,0]=3 51 B3R0.2 C[S+](C)C D92490 [1,0,0,0,0,0|2,0,0]=3 52 B3R0.2 C[Si](Cl)Cl D89641 [1,0,0,0,0,0|2,1,0]=4 53 B3R0.2 C[SnH2+](C)C H11332 [1,0,0,0,0,0|2,0,0]=3 54 B3R0.2 N=C(N)N D90721 [1,0,0,0,0,0|3,0,0]=4 55 B3R0.2 N=C(N)N D90769 [1,0,0,0,0,0|3,0,0]=4 56 B3R0.2 O=C([O-])[O-] AC2543 [1,0,0,0,0,0|1,0,1]=3 57 B3R0.2 O=C([O-])[O-] D78271 [1,0,0,0,0,0|1,0,1]=3 58 B3R0.2 O=[15N+]([O-])[O-] 41447 [1,0,0,0,0,0|2,0,1]=4 59 B3R0.2 O=[N+]([O-])[O-] A11746 [1,0,0,0,0,0|2,0,1]=4 60 B3R0.2 O=[Si]([O-])[O-] C13411 [1,0,0,0,0,0|1,1,1]=4 61 B3R0.2 O=[Te]([O-])[O-] A10883 [1,0,0,0,0,0|2,0,1]=4 62 B5R0.1 C#CCC(C)C D91298 [0,1,0,0,0,0|2,0,1]=4 63 B5R0.1 C#CCN(C)C AT19964 [0,1,0,0,0,0|3,0,0]=4 64 B5R0.1 C#CC[C@H](C)O F16209 [0,1,0,0,0,0|1,0,2]=4 65 B5R0.1 CC(=O)CCN 89829 [0,1,0,0,0,0|1,0,0]=2 66 B5R0.1 CC(=O)\C=C\[O-] D78712 [0,1,0,0,0,0|0,0,2]=3 67 B5R0.1 CC(=O)\C=N\O 34785 [0,1,0,0,0,0|0,0,1]=2 68 B5R0.1 CC(C)=CCCl D89386 [0,1,0,0,0,0|2,0,0]=3 69 B5R0.1 CC(C)CCCl D89213 [0,1,0,0,0,0|2,0,1]=4 70 B5R0.1 CC(C)CCI D91070 [0,1,0,0,0,0|2,0,1]=4 71 B5R0.1 CC(C)CCN D91075 [0,1,0,0,0,0|2,0,1]=4 72 B5R0.1 CC(C)CCS D91090 [0,1,0,0,0,0|1,1,1]=4 73 B5R0.1 CCC=C(C)C D91353 [0,1,0,0,0,0|2,0,0]=3 74 B5R0.1 CCNC(=N)N C11147 [0,1,0,0,0,0|3,0,0]=4 75 B5R0.1 CCNC(N)=S D86340 [0,1,0,0,0,0|2,1,0]=4 76 B5R0.1 CCOC(C)=S 28959 [0,1,0,0,0,0|1,1,0]=3 77 B5R0.1 CCOC(C)C D90509 [0,1,0,0,0,0|2,0,1]=4 78 B5R0.1 CCSC(C)C D90463 [0,1,0,0,0,0|2,0,1]=4 79 B5R0.1 CN(C)CC=O D82969 [0,1,0,0,0,0|2,0,1]=4 80 B5R0.1 CN(C)CC=O D87734 [0,1,0,0,0,0|2,0,1]=4 81 B5R0.1 CN(C)CCCl D88148 [0,1,0,0,0,0|3,0,0]=4 82 B5R0.1 CN(C)CCO A11060 [0,1,0,0,0,0|2,0,0]=3 83 B5R0.1 CNOC(C)=O T70513 [0,1,0,0,0,0|2,0,0]=3 84 B5R0.1 COC[C@H](C)N 88101 [0,1,0,0,0,0|1,0,1]=3 85 B5R0.1 COC[C@H](C)O E72455 [0,1,0,0,0,0|0,0,2]=3 86 B5R0.1 C[C@H](O)CCN C80087 [0,1,0,0,0,0|1,0,2]=4 87 B5R0.1 C\C(Cl)=C/CCl D89634 [0,1,0,0,0,0|2,0,0]=3 88 B5R0.1 C\C=C\C(N)=O D89245 [0,1,0,0,0,0|2,0,1]=4 89 B5R0.1 ClCC=C(Cl)Cl D86339 [0,1,0,0,0,0|3,0,0]=4 90 B5R0.1 NC(=O)CCCl S12033 [0,1,0,0,0,0|2,0,0]=3 91 B5R0.1 NOCC(=O)O AT14480 [0,1,0,0,0,0|1,0,0]=2 92 B5R0.3 C=C[C@@H](C)CC D91359 [0,1,0,0,0,0|2,0,1]=4 93 B5R0.3 C=C\C(C)=C\C D91314 [0,1,0,0,0,0|2,0,1]=4 94 B5R0.3 CC[C@H](C)CCl D89366 [0,1,0,0,0,0|2,0,1]=4 95 B5R0.3 CC[C@H](C)OC D88882 [0,1,0,0,0,0|1,0,2]=4 96 B5R0.3 CC[C@H](Cl)CCl D89631 [0,1,0,0,0,0|2,0,1]=4 97 B5R0.3 CC[C@H](S)CS D89045 [0,1,0,0,0,0|0,2,1]=4 98 B5R0.3 CC\C(N)=N\O V10166 [0,1,0,0,0,0|2,0,0]=3 99 B5R0.3 COC(=O)CF F11448 [0,1,0,0,0,0|1,0,0]=2 100 B5R0.3 C[C@@H](CO)CBr D76160 [0,1,0,0,0,0|1,0,1]=3 101 B5R0.3 C\C(C=O)=C/N 30165 [0,1,0,0,0,0|1,0,1]=3 102 B5R0.3 C\C=C(/C)C=O D92433 [0,1,0,0,0,0|1,0,1]=3 103 B5R0.3 C\C=C(/C)CC D91312 [0,1,0,0,0,0|2,0,0]=3 104 B5R0.3 C\C=C(\C)CC T73073 [0,1,0,0,0,0|2,0,0]=3 105 B5R0.3 ClC[C@H](Br)CBr D89298 [0,1,0,0,0,0|2,0,1]=4 106 B5R0.3 N=C(CO)NO D75090 [0,1,0,0,0,0|1,0,1]=3 107 B5R0.3 OC(CF)CF 96887 [0,1,0,0,0,0|1,0,2]=4 108 B5R0.3 O[C@@H](CF)CCl 94770 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.4 CCC(C)(C)C D89700 [0,1,0,0,0,0|2,0,1]=4 110 B5R0.4 CCC(C)(C)Cl D89214 [0,1,0,0,0,0|2,0,1]=4 111 B5R0.4 CCC(C)(C)[NH3+] D88364 [0,1,0,0,0,0|2,0,1]=4 112 B5R0.4 CCC(C)(Cl)Cl D89782 [0,1,0,0,0,0|2,0,1]=4 113 B5R0.4 CCS(=O)(=O)[O-] D78206 [0,1,0,0,0,0|3,0,0]=4 114 B5R0.4 CC[S@@](=O)([O-])=S D92265 [0,1,0,0,0,0|3,0,0]=4 115 B5R0.4 CC[Si](C)(C)Cl D89600 [0,1,0,0,0,0|2,1,0]=4 116 B5R0.4 CS(=O)(=O)NN C10694 [0,1,0,0,0,0|3,0,0]=4 117 B5R0.4 C[Si](C)(C)CCl I11290 [0,1,0,0,0,0|2,1,0]=4 118 B5R0.4 C[Si](C)(C)CS T71963 [0,1,0,0,0,0|1,2,0]=4 119 B5R0.4 O=S(=O)(Cl)CCl AT12630 [0,1,0,0,0,0|3,0,0]=4 120 B5R0.5 C=C(C)C(=O)[O-] D91355 [0,1,0,0,0,0|1,0,2]=4 121 B5R0.5 C=C(C)C(C)=O D87596 [0,1,0,0,0,0|1,0,1]=3 122 B5R0.5 C=C(C)C(C)C D89792 [0,1,0,0,0,0|2,0,0]=3 123 B5R0.5 CC(=O)[C@H](C)O D93492 [0,1,0,0,0,0|0,0,0]=1 124 B5R0.5 CC(C)=C(C)C D89701 [0,1,0,0,0,0|2,0,1]=4 125 B5R0.5 CC(C)C(=O)Br D91083 [0,1,0,0,0,0|2,0,0]=3 126 B5R0.5 CC(Cl)C(C)Cl D89633 [0,1,0,0,0,0|2,0,1]=4 127 B5R0.5 C[C@H](Cl)C(Cl)Cl D92379 [0,1,0,0,0,0|2,0,1]=4 128 B5R0.5 C[C@H](N)C(N)=O FD21068 [0,1,0,0,0,0|2,0,0]=3 129 B5R0.5 C[C@H](O)C(N)=O D91225 [0,1,0,0,0,0|1,0,0]=2 130 B5R0.5 O=C(O)C(=O)O A11520 [0,1,0,0,0,0|1,0,1]=3 131 B5R0.5 O=C(O)[C@@H](F)Cl AT19759 [0,1,0,0,0,0|2,0,0]=3 132 B5R0.5 O=C(O)[C@@H](F)Cl AT19773 [0,1,0,0,0,0|2,0,0]=3 133 B5R0.5 O=C([O-])C(=O)[O-] H10855 [0,1,0,0,0,0|1,0,2]=4 134 B5R1.2 OC1CNC1 S11377 [0,0,0,1,0,0|1,0,2]=4 135 B5R1.3 CC[C@H]1CO1 D89036 [0,0,0,1,0,0|1,0,2]=4 136 B5R1.3 FC[C@H]1CO1 AT22387 [0,0,0,1,0,0|1,0,2]=4 137 B5R1.3 NCC1CC1 AT12997 [0,0,0,1,0,0|2,0,1]=4 138 B5R1.3 OCC1CC1 F10303 [0,0,0,1,0,0|1,0,1]=3 139 B5R1.4 C[C@@H]1O[C@@H]1C D85879 [0,0,0,1,0,0|1,0,2]=4 140 B5R1.5 CC1(C)CS1 D91159 [0,0,0,1,0,0|1,1,1]=4 141 B5R1.5 CC1(N)CC1 W10114 [0,0,0,1,0,0|2,0,1]=4 142 B2R0.1 CC[O-] F19542 [2,0,0,0,0,0|0,0,1]=3 143 B2R0.1 CC[O-] H12076 [2,0,0,0,0,0|0,0,1]=3 144 B2R0.1 CNC D90364 [2,0,0,0,0,0|1,0,0]=3 145 B2R0.1 CSC D89934 [2,0,0,0,0,0|1,0,0]=3 146 B2R0.1 C[Se]C T71107 [2,0,0,0,0,0|1,0,0]=3 147 B2R0.1 N#CO D91614 [2,0,0,0,0,0|1,0,1]=4 148 B2R0.1 N=CN A12064 [2,0,0,0,0,0|2,0,0]=4 149 B2R0.1 N=CN T73028 [2,0,0,0,0,0|2,0,0]=4 150 B2R0.1 O=C[O-] AC2230 [2,0,0,0,0,0|0,0,1]=3 151 B2R0.1 O=C[O-] D90640 [2,0,0,0,0,0|0,0,1]=3 152 B2R0.1 O=[Co][O-] H11983 [2,0,0,0,0,0|1,0,1]=4 153 B4R0.2 C#CCCC D91892 [1,1,0,0,0,0|1,0,1]=4 154 B4R0.2 C=CCC#N H10716 [1,1,0,0,0,0|1,0,1]=4 155 B4R0.2 C=CCC=C D91889 [1,1,0,0,0,0|1,0,1]=4 156 B4R0.2 C=CSCC D90486 [1,1,0,0,0,0|1,0,1]=4 157 B4R0.2 C=C\C=C\C D91991 [1,1,0,0,0,0|1,0,1]=4 158 B4R0.2 CC#CCC D91988 [1,1,0,0,0,0|1,0,1]=4 159 B4R0.2 CCCCC D91890 [1,1,0,0,0,0|1,0,1]=4 160 B4R0.2 CCCCN T70340 [1,1,0,0,0,0|1,0,1]=4 161 B4R0.2 CCCNN AC6659 [1,1,0,0,0,0|1,0,1]=4 162 B4R0.2 CCCOC D91344 [1,1,0,0,0,0|0,0,1]=3 163 B4R0.2 CCCON AC8673 [1,1,0,0,0,0|0,0,1]=3 164 B4R0.2 CCCSC D91585 [1,1,0,0,0,0|0,1,1]=4 165 B4R0.2 CCNCC D89660 [1,1,0,0,0,0|1,0,1]=4 166 B4R0.2 CCOC=N A11323 [1,1,0,0,0,0|2,0,0]=4 167 B4R0.2 CCSCC W13859 [1,1,0,0,0,0|1,0,1]=4 168 B4R0.2 CNCC#N D91283 [1,1,0,0,0,0|2,0,0]=4 169 B4R0.2 CNCC#N D91284 [1,1,0,0,0,0|2,0,0]=4 170 B4R0.2 CSCCN F53618 [1,1,0,0,0,0|1,0,1]=4 171 B4R0.2 C\C=C/CBr D88665 [1,1,0,0,0,0|1,0,0]=3 172 B4R0.2 C\C=C\CC D91989 [1,1,0,0,0,0|1,0,0]=3 173 B4R0.2 C\C=C\CCl D89204 [1,1,0,0,0,0|1,0,0]=3 174 B4R0.2 C\C=C\CO 41794 [1,1,0,0,0,0|0,0,0]=2 175 B4R0.2 ClCCCCl D89645 [1,1,0,0,0,0|1,0,1]=4 176 B4R0.2 ClCSCCl T70824 [1,1,0,0,0,0|2,0,0]=4 177 B4R0.2 Cl\C=C/CCl D78377 [1,1,0,0,0,0|1,0,1]=4 178 B4R0.2 FCCCF F10308 [1,1,0,0,0,0|1,0,1]=4 179 B4R0.2 NCCCN D88819 [1,1,0,0,0,0|1,0,1]=4 180 B4R0.2 NCCCO D88258 [1,1,0,0,0,0|0,0,1]=3 181 B4R0.2 OCC#CI AT14264 [1,1,0,0,0,0|0,0,2]=4 182 B4R0.3 CC(C)(C)N D87618 [1,1,0,0,0,0|1,0,1]=4 183 B4R0.3 CC(C)(C)N T70874 [1,1,0,0,0,0|1,0,1]=4 184 B4R0.3 CC(C)(C)S AT13962 [1,1,0,0,0,0|0,1,1]=4 185 B4R0.3 CC(C)(C)[Mg+] F20329 [1,1,0,0,0,0|1,0,1]=4 186 B4R0.3 CC(C)(C)[S-] AT13951 [1,1,0,0,0,0|0,1,1]=4 187 B4R0.3 CC(C)(Cl)Cl D89646 [1,1,0,0,0,0|1,0,1]=4 188 B4R0.3 C[As](C)(=O)O D89352 [1,1,0,0,0,0|1,0,0]=3 189 B4R0.3 C[Ge](C)(C)C D92458 [1,1,0,0,0,0|1,1,0]=4 190 B4R0.3 C[N+](C)(C)C D92635 [1,1,0,0,0,0|2,0,0]=4 191 B4R0.3 O=Cl(=O)(=O)O H12019 [1,1,0,0,0,0|2,0,0]=4 192 B4R0.3 O=S(=O)(O)O D91345 [1,1,0,0,0,0|2,0,0]=4 193 B6R0.1 C#CCC(=O)OC D81977 [0,2,0,0,0,0|1,0,0]=3 194 B6R0.1 CCC[C@H](N)CO A10465 [0,2,0,0,0,0|1,0,1]=4 195 B6R0.1 CCC[C@H](N)CO A10469 [0,2,0,0,0,0|1,0,1]=4 196 B6R0.1 CCC\C(N)=N\O F10437 [0,2,0,0,0,0|2,0,0]=4 197 B6R0.1 CCNC(=O)CC D90484 [0,2,0,0,0,0|1,0,0]=3 198 B6R0.1 CCNC(=O)CCl 71051 [0,2,0,0,0,0|1,0,0]=3 199 B6R0.1 CCNC(=O)CN C15442 [0,2,0,0,0,0|1,0,0]=3 200 B6R0.1 CCNC(=O)NC 81497 [0,2,0,0,0,0|1,0,0]=3 201 B6R0.1 CCOC(=O)C=O D78103 [0,2,0,0,0,0|0,0,2]=4 202 B6R0.1 CCOC(=O)CBr D88162 [0,2,0,0,0,0|1,0,0]=3 203 B6R0.1 CCOC(=O)CF A10822 [0,2,0,0,0,0|1,0,0]=3 204 B6R0.1 CCOC(=O)NO 74124 [0,2,0,0,0,0|1,0,0]=3 205 B6R0.1 CCSC(=O)CC D90578 [0,2,0,0,0,0|1,0,0]=3 206 B6R0.1 CC[C@H](C)CCO D91364 [0,2,0,0,0,0|1,0,1]=4 207 B6R0.1 CC[C@H](C)CCO T72450 [0,2,0,0,0,0|1,0,1]=4 208 B6R0.1 CC[S@](=O)CCCl D80955 [0,2,0,0,0,0|2,0,0]=4 209 B6R0.1 CC\C=C(/C)C=O D91397 [0,2,0,0,0,0|1,0,0]=3 210 B6R0.1 CNC(=O)CCN AT18765 [0,2,0,0,0,0|1,0,0]=3 211 B6R0.1 COC(=O)CC=O D87670 [0,2,0,0,0,0|0,0,1]=3 212 B6R0.1 COC(=O)CCN D87779 [0,2,0,0,0,0|1,0,0]=3 213 B6R0.1 COC[C@H](C)OC D90270 [0,2,0,0,0,0|0,0,2]=4 214 B6R0.1 C[C@H](CO)CCN T71428 [0,2,0,0,0,0|1,0,1]=4 215 B6R0.2 C=C(C)CC(C)C D89820 [0,2,0,0,0,0|2,0,0]=4 216 B6R0.2 CC(=O)\C=C(\C)[O-] D91257 [0,2,0,0,0,0|0,0,2]=4 217 B6R0.2 CC(=O)\C=C(\C)[O-] D91267 [0,2,0,0,0,0|0,0,2]=4 218 B6R0.2 CC(=O)\C=C(\C)[O-] D91273 [0,2,0,0,0,0|0,0,2]=4 219 B6R0.2 CC(=O)\C=C(\C)[O-] H10081 [0,2,0,0,0,0|0,0,2]=4 220 B6R0.2 CC(=O)\C=C(\C)[O-] H10704 [0,2,0,0,0,0|0,0,2]=4 221 B6R0.2 CC(C)=CC(C)C T71140 [0,2,0,0,0,0|2,0,0]=4 222 B6R0.2 CC(C)C[C@H](C)O D97159 [0,2,0,0,0,0|1,0,1]=4 223 B6R0.2 CC(C)C[C@H](C)O D97160 [0,2,0,0,0,0|1,0,1]=4 224 B6R0.2 CC(C)OC(=O)Cl D97724 [0,2,0,0,0,0|2,0,0]=4 225 B6R0.2 CC(I)=CC(=O)O E72300 [0,2,0,0,0,0|1,0,1]=4 226 B6R0.2 NC(=O)CC(N)=S F20869 [0,2,0,0,0,0|1,1,0]=4 227 B6R0.2 O=C(Cl)CC(=O)Cl D91396 [0,2,0,0,0,0|1,0,1]=4 228 B6R0.3 C=C(C)C(=O)NC AB9741 [0,2,0,0,0,0|1,0,1]=4 229 B6R0.3 C=C(C)[C@@H](C)CC T70795 [0,2,0,0,0,0|2,0,0]=4 230 B6R0.3 CC(O)C(O)CO D88714 [0,2,0,0,0,0|0,0,2]=4 231 B6R0.3 CCC(=O)C(C)C 29430 [0,2,0,0,0,0|1,0,0]=3 232 B6R0.3 CCC(=O)[C@H](C)S D91606 [0,2,0,0,0,0|0,1,0]=3 233 B6R0.3 CCC(C)C(C)O D91394 [0,2,0,0,0,0|1,0,1]=4 234 B6R0.3 CC[C@H](C)C(C)=O 29434 [0,2,0,0,0,0|1,0,0]=3 235 B6R0.3 CC[C@H](Cl)C(=O)O T70777 [0,2,0,0,0,0|2,0,0]=4 236 B6R0.3 CC[C@H](Cl)C(=O)O T71033 [0,2,0,0,0,0|2,0,0]=4 237 B6R0.3 CC[C@H](N)C(=O)O 25311 [0,2,0,0,0,0|2,0,0]=4 238 B6R0.3 CC[C@H](N)C(N)=O 51886 [0,2,0,0,0,0|2,0,0]=4 239 B6R0.3 CC[C@H](N)C(N)=O I10148 [0,2,0,0,0,0|2,0,0]=4 240 B6R0.3 CC[C@H](O)C(=O)[O-] D90908 [0,2,0,0,0,0|1,0,0]=3 241 B6R0.3 CC[C@H](S)C(C)=O D91570 [0,2,0,0,0,0|0,1,0]=3 242 B6R0.3 CN(C)C(=O)CI 71320 [0,2,0,0,0,0|1,0,0]=3 243 B6R0.3 CN[C@@H](C)C(=O)O AT16587 [0,2,0,0,0,0|2,0,0]=4 244 B6R0.3 CN[C@@H](C)C(=O)O FD21048 [0,2,0,0,0,0|2,0,0]=4 245 B6R0.3 COC(=N)C(C)C F19214 [0,2,0,0,0,0|2,0,0]=4 246 B6R0.3 CS[C@@H](C)C(C)=O D91444 [0,2,0,0,0,0|0,1,0]=3 247 B6R0.3 C\C=C(/C)C(C)C T70959 [0,2,0,0,0,0|2,0,0]=4 248 B6R0.3 C\C=C(\C)C(C)=O D91447 [0,2,0,0,0,0|1,0,1]=4 249 B6R0.3 NC[C@H](N)C(=O)O 36687 [0,2,0,0,0,0|2,0,0]=4 250 B6R0.3 O=C([O-])C(O)CO D90733 [0,2,0,0,0,0|1,0,0]=3 251 B6R0.4 C#CCCC(=O)[O-] D86943 [0,2,0,0,0,0|2,0,0]=4 252 B6R0.4 C#CCSC(C)=O AT19938 [0,2,0,0,0,0|1,0,0]=3 253 B6R0.4 C=C(C)CCCC D91349 [0,2,0,0,0,0|2,0,0]=4 254 B6R0.4 C=CCCC(=C)C D91319 [0,2,0,0,0,0|2,0,0]=4 255 B6R0.4 C=CCCC(C)=O D90803 [0,2,0,0,0,0|1,0,0]=3 256 B6R0.4 C=CCNC(N)=O D88233 [0,2,0,0,0,0|2,0,0]=4 257 B6R0.4 CC(=O)NCCCl 57501 [0,2,0,0,0,0|1,0,0]=3 258 B6R0.4 CC(=O)SCC#N W15790 [0,2,0,0,0,0|1,0,0]=3 259 B6R0.4 CC(C)SCCO D91113 [0,2,0,0,0,0|1,0,1]=4 260 B6R0.4 CCC#CC(C)=O D90939 [0,2,0,0,0,0|1,0,0]=3 261 B6R0.4 CCCC=C(C)C T72209 [0,2,0,0,0,0|2,0,0]=4 262 B6R0.4 CCCCC(=O)Br D92781 [0,2,0,0,0,0|2,0,0]=4 263 B6R0.4 CSCCC(=O)Cl D91387 [0,2,0,0,0,0|1,1,0]=4 264 B6R0.4 NC(=O)NCCCl D89211 [0,2,0,0,0,0|2,0,0]=4 265 B6R0.5 C=CCS(C)(=O)=O AT10470 [0,2,0,0,0,0|2,0,0]=4 266 B6R0.5 CC(C)(N)CCO AC5985 [0,2,0,0,0,0|1,0,1]=4 267 B6R0.5 COC[Si](C)(C)C D91472 [0,2,0,0,0,0|1,1,0]=4 268 B6R0.9 CC=C(CC)CC D90447 [0,2,0,0,0,0|2,0,0]=4 269 B6R0.9 CC[C@@H](CO)OC D91512 [0,2,0,0,0,0|0,0,2]=4 270 B6R0.9 OCC(CO)=NO D90059 [0,2,0,0,0,0|0,0,1]=3 271 B6R0.7 C=C(C)C(C)(C)C D92378 [0,2,0,0,0,0|2,0,0]=4 272 B6R0.7 CC(Cl)(Cl)C(=O)O D77631 [0,2,0,0,0,0|2,0,0]=4 273 B6R0.7 CC(Cl)(Cl)C(=O)[O-] D89649 [0,2,0,0,0,0|2,0,0]=4 274 B6R0.7 O=C(O)C(Br)(Br)Br D95394 [0,2,0,0,0,0|2,0,0]=4 275 B6R0.7 O=C(O)C(F)(F)F E72829 [0,2,0,0,0,0|2,0,0]=4 276 B6R0.7 O=C([O-])C(F)(F)F H10449 [0,2,0,0,0,0|2,0,0]=4 277 B4R1.1 C1COC1 D92348 [1,0,0,1,0,0|0,0,1]=3 278 B4R1.1 C1CSC1 D92349 [1,0,0,1,0,0|0,1,1]=4 279 B4R1.2 NC1CC1 AT18321 [1,0,0,1,0,0|1,0,1]=4 280 B6R1.2 C=C1CCCC1 D91403 [0,1,0,1,0,0|2,0,0]=4 281 B6R1.2 CC1=CCCC1 A10734 [0,1,0,1,0,0|2,0,0]=4 282 B6R1.2 CC1=CON=C1 I11485 [0,1,0,1,0,0|1,0,1]=4 283 B6R1.2 C[C@H]1COCO1 D91404 [0,1,0,1,0,0|0,0,2]=4 284 B6R1.2 O=C1CCCS1 W15445 [0,1,0,1,0,0|1,0,0]=3 285 B6R1.8 CC1CC1CO 73978 [0,1,0,1,0,0|1,0,1]=4