0 B6R0.1 C#CCC(=O)OC D81977 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 C=CC[C@@H](C)CC D91307 [0,0,0,0,0,0|1,0,3]=4 2 B6R0.1 CCC[C@@H](C)CC D91320 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.1 CCC[C@@H](O)CC F16582 [0,0,0,0,0,0|0,0,4]=4 4 B6R0.1 CCNC(=O)CC D90484 [0,0,0,0,0,0|1,0,1]=2 5 B6R0.1 CCNC(=O)CCl 71051 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CCNC(=O)CN C15442 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCNC(=O)NC 81497 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.1 CCOC(=O)C=O D78103 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CCOC(=O)CBr D88162 [0,0,0,0,0,0|2,0,1]=3 10 B6R0.1 CCOC(=O)CF A10822 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 CCOC(=O)NO 74124 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 CCSC(=O)CC D90578 [0,0,0,0,0,0|1,0,1]=2 13 B6R0.1 CC[S@](=O)CCCl D80955 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 CC\C=C(/C)C=O D91397 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 CNC(=O)CCN AT18765 [0,0,0,0,0,0|2,0,2]=4 16 B6R0.1 COC(=O)CC=O D87670 [0,0,0,0,0,0|2,0,1]=3 17 B6R0.1 COC(=O)CCN D87779 [0,0,0,0,0,0|2,0,2]=4 18 B6R0.1 C\C=C\[C@@H](C)CC D91310 [0,0,0,0,0,0|1,0,1]=2 19 B5R0.1 CC(=O)CCN 89829 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CC(=O)\C=C\[O-] D78712 [1,0,0,0,0,0|1,0,0]=2 21 B5R0.1 CC(=O)\C=N\O 34785 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(C)=CCCl D89386 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CCC=C(C)C D91353 [1,0,0,0,0,0|1,0,1]=3 24 B5R0.1 CCOC(C)=S 28959 [1,0,0,0,0,0|1,1,1]=4 25 B5R0.1 CNOC(C)=O T70513 [1,0,0,0,0,0|2,0,0]=3 26 B5R0.1 CSC=[N+](C)C D90276 [1,0,0,0,0,0|3,0,0]=4 27 B5R0.1 C\C(Cl)=C/CCl D89634 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 C\C=C\C(C)C D91327 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.1 C\C=C\C(N)=O D89245 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.2 C=CCOCC D88369 [1,0,0,0,0,0|1,0,2]=4 31 B5R0.2 C=CC\C=C\C F19222 [1,0,0,0,0,0|0,0,3]=4 32 B5R0.2 C=COCCC A10930 [1,0,0,0,0,0|1,0,2]=4 33 B5R0.2 CC#CCCC D90866 [1,0,0,0,0,0|0,0,3]=4 34 B5R0.2 CCC#CCC D90867 [1,0,0,0,0,0|0,0,3]=4 35 B5R0.2 CCCCOC D91343 [1,0,0,0,0,0|1,0,2]=4 36 B5R0.2 CCCCSC T71148 [1,0,0,0,0,0|1,0,2]=4 37 B5R0.2 CCCC[NH2+]C D91287 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.2 CCCOCC D90426 [1,0,0,0,0,0|1,0,2]=4 39 B5R0.2 CCCSCC H10827 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 CCCSSC D91531 [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 CCC\C=N/O D88680 [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 CCO\C=C/Br 71052 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 CC[Se][Se]CC T71152 [1,0,0,0,0,0|2,0,1]=4 44 B5R0.2 CC\C=C/CC D90855 [1,0,0,0,0,0|0,0,1]=2 45 B5R0.2 CC\C=C/CO 23141 [1,0,0,0,0,0|1,0,1]=3 46 B5R0.2 CC\C=C\CC D82999 [1,0,0,0,0,0|0,0,1]=2 47 B5R0.2 C\C=C/C=C/C D90841 [1,0,0,0,0,0|0,0,1]=2 48 B5R0.2 C\C=C/OCC D90589 [1,0,0,0,0,0|1,0,0]=2 49 B5R0.2 C\C=C\CCC D90853 [1,0,0,0,0,0|0,0,1]=2 50 B5R0.2 ClC\C=C/CCl D72448 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.3 C=C[C@@H](C)CC D91359 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.3 C=C\C(C)=C\C D91314 [1,0,0,0,0,0|1,0,1]=3 53 B5R0.3 CC[C@H](C)OC D88882 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.3 CC\C(N)=N\O V10166 [1,0,0,0,0,0|3,0,0]=4 55 B5R0.3 COC(=O)CF F11448 [1,0,0,0,0,0|2,0,0]=3 56 B5R0.3 C\C=C(/C)C=O D92433 [1,0,0,0,0,0|2,0,1]=4 57 B5R0.3 C\C=C(/C)CC D91312 [1,0,0,0,0,0|1,0,0]=2 58 B5R0.3 C\C=C(\C)CC T73073 [1,0,0,0,0,0|1,0,0]=2 59 B7R0.3 C=C(CC)CCCC D90439 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.3 CCC(=O)NCCO D90897 [0,1,0,0,0,0|1,0,1]=3 61 B7R0.3 CCCNC(=O)CCl D95642 [0,1,0,0,0,0|1,0,2]=4 62 B7R0.3 CCCOC(=O)CN 77506 [0,1,0,0,0,0|1,0,2]=4 63 B7R0.3 CCC\C=C(/C)CC D91421 [0,1,0,0,0,0|1,0,1]=3 64 B7R0.3 CC\C=C\[C@@H](C)CC T71711 [0,1,0,0,0,0|1,0,1]=3 65 B7R0.3 COC(=O)NCCO AT13704 [0,1,0,0,0,0|2,0,1]=4 66 B7R0.3 C\C=C\CC(=O)OC D92089 [0,1,0,0,0,0|1,0,0]=2 67 B7R0.5 CCCC(=O)N(C)C C13351 [0,1,0,0,0,0|1,0,2]=4 68 B7R0.5 CCOC(=O)C(Cl)Cl F16295 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.5 CCOC(=O)[C@H](C)Cl D89296 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.5 CCOC(=O)[C@H](C)F AT11652 [0,1,0,0,0,0|1,0,1]=3 71 B7R0.5 CCOC(=O)[C@H](C)N D87947 [0,1,0,0,0,0|1,0,1]=3 72 B7R0.7 CCOC(=O)CC#N C90336 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.7 CCOS(=O)OCC D95289 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.7 CCSC(=O)SCC T71137 [0,1,0,0,0,0|1,0,1]=3 75 B7R0.7 O=C(CCO)CCO 20750 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.10 C=C[C@H](O)C(=O)OC T72662 [0,1,0,0,0,0|1,0,2]=4 77 B7R0.10 CCC(=O)\C(C)=N\O D86364 [0,1,0,0,0,0|2,0,0]=3 78 B7R0.10 CCN(C)C(=O)CBr W10395 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.10 CC[C@H](N)C(=O)OC F19412 [0,1,0,0,0,0|1,0,2]=4 80 B7R0.10 CN[C@@H](C)C(=O)OC C10941 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.10 COC(=O)N(C)OC S11702 [0,1,0,0,0,0|3,0,0]=4 82 B7R0.10 CON(C)C(=O)CN AT14833 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.10 C\C=C(\C)C(=O)OC D88382 [0,1,0,0,0,0|1,0,0]=2 84 B7R1.1 CCC1=CC=CN1 D90555 [0,0,0,1,0,0|1,0,1]=3 85 B7R1.1 CCC1=CCCC1 T72078 [0,0,0,1,0,0|1,0,1]=3 86 B7R1.1 CCC1=NCCN1 D90467 [0,0,0,1,0,0|2,0,1]=4 87 B7R1.1 CCN1C=CC=C1 F17504 [0,0,0,1,0,0|2,0,1]=4 88 B7R1.1 COC1=CC=CO1 F10347 [0,0,0,1,0,0|1,0,2]=4 89 B7R1.1 CSC1=CC=CS1 77890 [0,0,0,1,0,0|1,1,1]=4 90 B7R1.1 NCC1=CC=CO1 AT17186 [0,0,0,1,0,0|1,0,2]=4 91 B7R1.1 NCC1=CC=NN1 70944 [0,0,0,1,0,0|3,0,0]=4 92 B7R1.1 NCC1=NNC=C1 39435 [0,0,0,1,0,0|3,0,0]=4 93 B7R1.1 NCC1=NNC=C1 W13339 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.1 NCC1=NOC=C1 38445 [0,0,0,1,0,0|3,0,0]=4 95 B7R1.1 OCC1=NNC=C1 O10009 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.2 CC1=CC(=O)NO1 S10286 [0,0,0,1,0,0|2,0,0]=3 97 B7R1.2 CC1=CC(=O)OC1 C16080 [0,0,0,1,0,0|1,0,0]=2 98 B7R1.2 CC1=CC(Cl)=NN1 37270 [0,0,0,1,0,0|3,0,0]=4 99 B7R1.2 CC1=CC(N)=NN1 SC1107 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.2 CC1=CCC(=O)O1 D88375 [0,0,0,1,0,0|1,0,1]=3 101 B7R1.2 CC1=NNC(I)=C1 O11450 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.2 CC1=NOC(O)=C1 AC8816 [0,0,0,1,0,0|2,0,1]=4 103 B7R1.3 C[C@@H]1C=CCCC1 D91429 [0,0,0,1,0,0|1,0,1]=3 104 B7R1.3 Cl[C@@H]1C=CCCC1 T70633 [0,0,0,1,0,0|1,0,1]=3 105 B7R1.4 CC1=C(C)SC=C1 C16125 [0,0,0,1,0,0|2,0,1]=4 106 B7R1.4 CN1N=CC=C1O AT12748 [0,0,0,1,0,0|2,0,1]=4 107 B7R1.4 CN1SC=CC1=O F21330 [0,0,0,1,0,0|2,0,0]=3 108 B4R0.1 C=C(C)CC D91286 [2,0,0,0,0,0|1,0,0]=3 109 B4R0.1 C=C(C)OC D91123 [2,0,0,0,0,0|2,0,0]=4 110 B4R0.1 C=C[C@H](C)Cl F11733 [2,0,0,0,0,0|1,0,1]=4 111 B4R0.1 CC(=O)C#N N12035 [2,0,0,0,0,0|1,0,1]=4 112 B4R0.1 CC(=O)CO S12357 [2,0,0,0,0,0|1,0,0]=3 113 B4R0.1 CC(=O)C[Hg+] C16200 [2,0,0,0,0,0|1,0,0]=3 114 B4R0.1 CCC(=O)Br D91967 [2,0,0,0,0,0|1,0,0]=3 115 B4R0.1 CC[C@H](C)N D86790 [2,0,0,0,0,0|1,0,1]=4 116 B4R0.1 C\C=C(/C)Br D88804 [2,0,0,0,0,0|1,0,0]=3 117 B4R0.1 C\C=C(/C)Cl T70927 [2,0,0,0,0,0|1,0,0]=3 118 B4R0.1 C\C=C(\C)Cl T70584 [2,0,0,0,0,0|1,0,0]=3 119 B4R0.1 NC(=O)CF A10407 [2,0,0,0,0,0|2,0,0]=4 120 B4R0.1 O=C(O)CI H11974 [2,0,0,0,0,0|2,0,0]=4 121 B4R0.1 O=C([O-])CO D90726 [2,0,0,0,0,0|2,0,0]=4 122 B4R0.2 C=CSCC D90486 [2,0,0,0,0,0|1,0,0]=3 123 B4R0.2 C=C\C=C\C D91991 [2,0,0,0,0,0|0,0,1]=3 124 B4R0.2 CC#CCC D91988 [2,0,0,0,0,0|0,0,2]=4 125 B4R0.2 CCCCC D91890 [2,0,0,0,0,0|0,0,2]=4 126 B4R0.2 CCCOC D91344 [2,0,0,0,0,0|1,0,1]=4 127 B4R0.2 CCCSC D91585 [2,0,0,0,0,0|1,0,1]=4 128 B4R0.2 CCNCC D89660 [2,0,0,0,0,0|1,0,1]=4 129 B4R0.2 CCOC=N A11323 [2,0,0,0,0,0|2,0,0]=4 130 B4R0.2 CCSCC W13859 [2,0,0,0,0,0|1,0,1]=4 131 B4R0.2 C\C=C/CBr D88665 [2,0,0,0,0,0|1,0,0]=3 132 B4R0.2 C\C=C\CC D91989 [2,0,0,0,0,0|0,0,0]=2 133 B4R0.2 C\C=C\CCl D89204 [2,0,0,0,0,0|1,0,0]=3 134 B4R0.2 C\C=C\CO 41794 [2,0,0,0,0,0|1,0,0]=3 135 B4R0.2 Cl\C=C/CCl D78377 [2,0,0,0,0,0|2,0,0]=4 136 B6R0.2 CC(=O)\C=C(\C)[O-] D91257 [1,1,0,0,0,0|0,0,0]=2 137 B6R0.2 CC(=O)\C=C(\C)[O-] D91267 [1,1,0,0,0,0|0,0,0]=2 138 B6R0.2 CC(=O)\C=C(\C)[O-] D91273 [1,1,0,0,0,0|0,0,0]=2 139 B6R0.2 CC(=O)\C=C(\C)[O-] H10081 [1,1,0,0,0,0|0,0,0]=2 140 B6R0.2 CC(=O)\C=C(\C)[O-] H10704 [1,1,0,0,0,0|0,0,0]=2 141 B6R0.2 CC(C)=CC(C)C T71140 [1,1,0,0,0,0|1,0,1]=4 142 B6R0.2 CC(I)=CC(=O)O E72300 [1,1,0,0,0,0|1,0,0]=3 143 B6R0.2 O=C(O)C=C(Cl)Cl A10419 [1,1,0,0,0,0|2,0,0]=4 144 B6R0.3 C=C(C)C(=O)NC AB9741 [1,1,0,0,0,0|2,0,0]=4 145 B6R0.3 CC[C@H](C)C(C)=O 29434 [1,1,0,0,0,0|0,0,2]=4 146 B6R0.3 CC[C@H](S)C(C)=O D91570 [1,1,0,0,0,0|0,0,2]=4 147 B6R0.3 CS[C@@H](C)C(C)=O D91444 [1,1,0,0,0,0|1,0,1]=4 148 B6R0.3 C\C=C(/C)C(C)C T70959 [1,1,0,0,0,0|1,0,1]=4 149 B6R0.3 C\C=C(\C)C(C)=O D91447 [1,1,0,0,0,0|0,0,0]=2 150 B6R0.4 C=CCCC(C)=O D90803 [1,1,0,0,0,0|0,0,2]=4 151 B6R0.4 CC(=O)NCCCl 57501 [1,1,0,0,0,0|1,0,1]=4 152 B6R0.4 CCC#CC(C)=O D90939 [1,1,0,0,0,0|0,0,2]=4 153 B6R0.4 CCCC=C(C)C T72209 [1,1,0,0,0,0|1,0,1]=4 154 B6R0.4 C\C=C\CC(C)C D91309 [1,1,0,0,0,0|1,0,1]=4 155 B6R0.4 C\C=N/NC(N)=O D88228 [1,1,0,0,0,0|2,0,0]=4 156 B6R0.6 C=CCC\C=C\C T71838 [1,1,0,0,0,0|0,0,2]=4 157 B6R0.6 CCCC\C=C\I AT25371 [1,1,0,0,0,0|1,0,1]=4 158 B6R0.6 CCC\C=C/CO D90941 [1,1,0,0,0,0|0,0,1]=3 159 B6R0.6 CC\C=C\CCC D90967 [1,1,0,0,0,0|0,0,1]=3 160 B6R0.6 C\C=C/CCCC D90859 [1,1,0,0,0,0|0,0,1]=3 161 B6R0.6 C\C=C/CCCO D90944 [1,1,0,0,0,0|0,0,1]=3 162 B6R0.6 C\C=C\CCCC D90785 [1,1,0,0,0,0|0,0,1]=3 163 B6R0.6 C\C=C\CCCO D71247 [1,1,0,0,0,0|0,0,1]=3 164 B6R0.9 CC=C(CC)CC D90447 [1,1,0,0,0,0|1,0,0]=3 165 B8R0.2 C=C(C(C)=O)C(=O)OC D88208 [0,2,0,0,0,0|1,0,0]=3 166 B8R0.2 COC(=O)C(=O)[C@H](C)Br F13543 [0,2,0,0,0,0|1,0,0]=3 167 B8R0.5 CCCC(=O)NC(C)C D84298 [0,2,0,0,0,0|0,0,2]=4 168 B8R0.5 CCCC(=O)OC(C)C D88682 [0,2,0,0,0,0|0,0,2]=4 169 B8R0.5 CCOC(=O)CC(=N)N 71446 [0,2,0,0,0,0|1,0,1]=4 170 B8R0.5 COCC(=O)CC(C)=O F16578 [0,2,0,0,0,0|0,0,1]=3 171 B8R0.5 C\C=C\C(=O)OC(C)C L10146 [0,2,0,0,0,0|0,0,0]=2 172 B8R0.16 CO\C(C=O)=C\N(C)C 25948 [0,2,0,0,0,0|2,0,0]=4 173 B8R0.23 CC(C)NC(=O)C(C)C L10185 [0,2,0,0,0,0|1,0,1]=4 174 B8R0.23 CC(C)OC(=O)C(C)C D91082 [0,2,0,0,0,0|1,0,1]=4 175 B8R0.24 CCC(=O)O[Si](C)(C)C T71904 [0,2,0,0,0,0|1,1,0]=4 176 B8R0.1 C=CCOC(=O)OCC D89384 [0,2,0,0,0,0|0,0,2]=4 177 B8R0.1 CCCCC(=O)CCC T72667 [0,2,0,0,0,0|0,0,2]=4 178 B8R0.1 CCOC(=O)CCCCl D89301 [0,2,0,0,0,0|0,0,2]=4 179 B8R0.1 CCOC(=O)NCCO AT13708 [0,2,0,0,0,0|1,0,1]=4 180 B8R0.1 CCOC(=O)\C=N\NC E72500 [0,2,0,0,0,0|1,0,0]=3 181 B8R0.1 CC\C=C\C(=O)OCC D80177 [0,2,0,0,0,0|0,0,0]=2 182 B8R0.1 C\C=C\C(=O)CCCC T72492 [0,2,0,0,0,0|0,0,0]=2 183 B8R0.3 CCCC(=O)[C@@H](C)CC D91475 [0,2,0,0,0,0|0,0,2]=4 184 B8R0.3 CCOC(=O)N(C)CC D93778 [0,2,0,0,0,0|1,0,1]=4 185 B8R0.3 CCOC(=O)[C@@H](N)CS F20749 [0,2,0,0,0,0|1,0,1]=4 186 B8R0.3 CCOC(=O)\C(N)=N\O 72421 [0,2,0,0,0,0|2,0,0]=4 187 B8R0.8 CCCOC(=O)C(C)C D91081 [0,2,0,0,0,0|0,0,2]=4 188 B8R0.9 CNC(=O)CNC(C)=O FD21634 [0,2,0,0,0,0|1,0,1]=4 189 B8R0.11 CCC\C=C(\C=O)CC D90438 [0,2,0,0,0,0|0,0,1]=3 190 B8R0.14 CC(C)(C)C(=O)CC=O F11777 [0,2,0,0,0,0|1,0,1]=4 191 B8R0.14 CCOC(=O)C(C)(C)Br D87241 [0,2,0,0,0,0|1,0,1]=4 192 B8R0.14 CCOC(=O)C(C)(C)I D90600 [0,2,0,0,0,0|1,0,1]=4 193 B8R0.20 CCC(=O)N(CC)CC D89672 [0,2,0,0,0,0|1,0,1]=4 194 B6R1.2 CC1=CCCC1 A10734 [1,0,0,1,0,0|1,0,1]=4 195 B6R1.2 O=C1CCCS1 W15445 [1,0,0,1,0,0|1,0,1]=4 196 B8R1.1 CC1=NC(CN)=CS1 AT14767 [0,1,0,1,0,0|2,0,0]=4 197 B8R1.1 CC1=NC(CN)=CS1 F16719 [0,1,0,1,0,0|2,0,0]=4 198 B8R1.1 CCC1=CC(N)=NN1 78395 [0,1,0,1,0,0|2,0,0]=4 199 B8R1.1 CCN1C=C[N+](C)=C1 D90554 [0,1,0,1,0,0|2,0,0]=4 200 B8R1.1 CCN1C=C[N+](C)=C1 D90565 [0,1,0,1,0,0|2,0,0]=4 201 B8R1.1 CCN1C=C[N+](C)=C1 D90610 [0,1,0,1,0,0|2,0,0]=4 202 B8R1.1 CC[N+]1=CN(C)C=C1 AC8080 [0,1,0,1,0,0|2,0,0]=4 203 B8R1.4 CC1=CC(=O)NC=N1 H11629 [0,1,0,1,0,0|1,0,1]=4 204 B8R1.4 CC1=NC=CC(=O)N1 H10624 [0,1,0,1,0,0|1,0,1]=4 205 B8R1.4 C[C@H]1CCCC(=O)C1 94623 [0,1,0,1,0,0|0,0,2]=4 206 B8R1.4 O=C1C=C(O)CCN1 O11242 [0,1,0,1,0,0|1,0,0]=3 207 B8R1.4 O=C1CNCC(=O)N1 AT23653 [0,1,0,1,0,0|2,0,0]=4 208 B8R1.18 CC1=CC(=O)N(C)N1 O10614 [0,1,0,1,0,0|1,0,0]=3 209 B8R1.18 CC1=CC(N)=NN1C C14787 [0,1,0,1,0,0|2,0,0]=4 210 B8R1.18 CC1=NN(C)C(Br)=C1 P17487 [0,1,0,1,0,0|2,0,0]=4 211 B8R1.2 CCC1=CC=CN=C1 D87724 [0,1,0,1,0,0|1,0,1]=4 212 B8R1.2 CCC1=CC=NC=C1 D90449 [0,1,0,1,0,0|1,0,1]=4 213 B8R1.2 CCC1=NC=CC=C1 AT23190 [0,1,0,1,0,0|1,0,1]=4 214 B8R1.2 COC1=CCC=CC1 78369 [0,1,0,1,0,0|2,0,0]=4 215 B8R1.2 COC1=CCCCC1 D87534 [0,1,0,1,0,0|0,0,2]=4 216 B8R1.3 CN1CCC(=O)CC1 A51169 [0,1,0,1,0,0|0,0,2]=4 217 B8R1.22 O=C1CCCCCC1 D89253 [0,1,0,1,0,0|0,0,2]=4 218 B8R1.22 O=C1CCOCCO1 T70817 [0,1,0,1,0,0|1,0,1]=4 219 B8R1.50 CC1=CN=C(Br)N1C AT22512 [0,1,0,1,0,0|2,0,0]=4 220 B8R1.50 O=C1CCC(=O)C1I 97934 [0,1,0,1,0,0|1,0,1]=4 221 B8R1.7 CC(=O)C1=CCC=C1 77833 [0,1,0,1,0,0|1,0,1]=4 222 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [0,1,0,1,0,0|0,0,2]=4 223 B8R1.19 CC1(C)OC=CC1=O D87811 [0,1,0,1,0,0|1,0,0]=3 224 B8R1.8 CCCC1=CC=CO1 D92136 [0,1,0,1,0,0|0,0,2]=4 225 B8R1.8 CCNC1=CC=CS1 23456 [0,1,0,1,0,0|0,1,1]=4 226 B8R1.8 CNCC1=NOC=C1 33339 [0,1,0,1,0,0|2,0,0]=4 227 B8R1.8 NCCC1=CC=CS1 F14846 [0,1,0,1,0,0|0,1,1]=4 228 B8R1.11 CC1=C(C=O)C=CO1 AT17469 [0,1,0,1,0,0|1,0,1]=4