0 B4R0.2 C#CCCBr F11435 [0,0,0,0,0,0|1,0,2]=3 1 B4R0.2 C#CCCO 24606 [0,0,0,0,0,0|0,0,2]=2 2 B4R0.2 C#CCNC 76738 [0,0,0,0,0,0|2,0,1]=3 3 B4R0.2 C#CCOC AT19953 [0,0,0,0,0,0|2,0,1]=3 4 B4R0.2 C#CCON D77272 [0,0,0,0,0,0|2,0,2]=4 5 B4R0.2 C=CCCBr D78125 [0,0,0,0,0,0|1,0,2]=3 6 B4R0.2 C=CCCC FD10489 [0,0,0,0,0,0|1,0,1]=2 7 B4R0.2 C=CCCCl 43989 [0,0,0,0,0,0|1,0,2]=3 8 B4R0.2 C=CCCN 68196 [0,0,0,0,0,0|1,0,2]=3 9 B4R0.2 C=CCCO P16638 [0,0,0,0,0,0|0,0,2]=2 10 B4R0.2 C=CCNC F21270 [0,0,0,0,0,0|2,0,1]=3 11 B4R0.2 C=CCNN 72911 [0,0,0,0,0,0|2,0,2]=4 12 B4R0.2 C=CCOC D88491 [0,0,0,0,0,0|2,0,1]=3 13 B4R0.2 C=CCON 77603 [0,0,0,0,0,0|2,0,2]=4 14 B4R0.2 C=CCSC D88380 [0,0,0,0,0,0|2,0,1]=3 15 B4R0.2 C=COCC P19610 [0,0,0,0,0,0|2,0,1]=3 16 B4R0.2 CC#CCBr 75180 [0,0,0,0,0,0|1,0,2]=3 17 B4R0.2 CC#CCO 75486 [0,0,0,0,0,0|0,0,2]=2 18 B4R0.2 CCCNC A10770 [0,0,0,0,0,0|2,0,0]=2 19 B4R0.2 CCCNN C10870 [0,0,0,0,0,0|2,0,0]=2 20 B4R0.2 CCN=C=S D94745 [0,0,0,0,0,0|1,1,1]=3 21 B4R0.2 CCNC=O F19558 [0,0,0,0,0,0|1,0,2]=3 22 B4R0.2 CCNCC D78025 [0,0,0,0,0,0|2,0,0]=2 23 B4R0.2 CCNCC D89842 [0,0,0,0,0,0|2,0,0]=2 24 B4R0.2 CCNCC D90318 [0,0,0,0,0,0|2,0,0]=2 25 B4R0.2 CCNOC D80678 [0,0,0,0,0,0|3,0,0]=3 26 B4R0.2 CCOCCl D89215 [0,0,0,0,0,0|2,0,0]=2 27 B4R0.2 CNCC#N 36732 [0,0,0,0,0,0|2,0,1]=3 28 B4R0.2 CNCCBr F13405 [0,0,0,0,0,0|2,0,0]=2 29 B4R0.2 CNCCCl 71064 [0,0,0,0,0,0|2,0,0]=2 30 B4R0.2 CNCCN D76853 [0,0,0,0,0,0|2,0,0]=2 31 B4R0.2 CNCCN SC1801 [0,0,0,0,0,0|2,0,0]=2 32 B4R0.2 COCC#N 35354 [0,0,0,0,0,0|2,0,1]=3 33 B4R0.2 COCCBr P19803 [0,0,0,0,0,0|2,0,0]=2 34 B4R0.2 COCCN F14847 [0,0,0,0,0,0|2,0,0]=2 35 B4R0.2 CSCC#N D91408 [0,0,0,0,0,0|2,0,1]=3 36 B4R0.2 CSCCBr 79497 [0,0,0,0,0,0|2,0,0]=2 37 B4R0.2 CSCCO 28828 [0,0,0,0,0,0|1,0,0]=1 38 B4R0.2 CSCSC D88765 [0,0,0,0,0,0|3,0,0]=3 39 B4R0.2 CSSSC D90187 [0,0,0,0,0,0|4,0,0]=4 40 B4R0.2 C\C=C/CC D91891 [0,0,0,0,0,0|1,0,2]=3 41 B4R0.2 C\C=C\OC 28751 [0,0,0,0,0,0|2,0,2]=4 42 B4R0.2 ClCCCI AC1314 [0,0,0,0,0,0|2,0,0]=2 43 B4R0.2 Cl\C=C\CCl A11332 [0,0,0,0,0,0|2,0,2]=4 44 B4R0.2 FCCCI S11237 [0,0,0,0,0,0|2,0,0]=2 45 B4R0.2 ICCCI A10836 [0,0,0,0,0,0|2,0,0]=2 46 B4R0.2 N#CCCBr 13138 [0,0,0,0,0,0|2,0,1]=3 47 B4R0.2 N#CCCN D77355 [0,0,0,0,0,0|2,0,1]=3 48 B4R0.2 N#CCCO D77638 [0,0,0,0,0,0|1,0,1]=2 49 B4R0.2 N#CCCS A10937 [0,0,0,0,0,0|1,1,1]=3 50 B4R0.2 NCCCBr AC7868 [0,0,0,0,0,0|2,0,0]=2 51 B4R0.2 NCCCCl D70608 [0,0,0,0,0,0|2,0,0]=2 52 B4R0.2 NCCCO D77871 [0,0,0,0,0,0|1,0,0]=1 53 B4R0.2 NCCON SC1781 [0,0,0,0,0,0|3,0,0]=3 54 B4R0.2 NNCCO D77684 [0,0,0,0,0,0|2,0,0]=2 55 B4R0.2 NOCCO 32348 [0,0,0,0,0,0|2,0,0]=2 56 B4R0.2 OCCCBr 36754 [0,0,0,0,0,0|1,0,0]=1 57 B4R0.2 OCCCF 61100 [0,0,0,0,0,0|1,0,0]=1 58 B4R0.2 OCCCI 75858 [0,0,0,0,0,0|1,0,0]=1 59 B4R0.2 SCCCS F20376 [0,0,0,0,0,0|1,1,0]=2 60 B3R0.1 C#CCBr 28449 [1,0,0,0,0,0|1,0,2]=4 61 B3R0.1 C#CCN 65315 [1,0,0,0,0,0|1,0,2]=4 62 B3R0.1 C#CCN RB8001 [1,0,0,0,0,0|1,0,2]=4 63 B3R0.1 C=CCC F17161 [1,0,0,0,0,0|0,0,2]=3 64 B3R0.1 C=CCI D78530 [1,0,0,0,0,0|1,0,2]=4 65 B3R0.1 C=CC[Pd+] F10003 [1,0,0,0,0,0|1,0,2]=4 66 B3R0.1 CCCN D74104 [1,0,0,0,0,0|1,0,0]=2 67 B3R0.1 CCCN D80322 [1,0,0,0,0,0|1,0,0]=2 68 B3R0.1 CCNC 28743 [1,0,0,0,0,0|1,0,0]=2 69 B3R0.1 CCNC D78313 [1,0,0,0,0,0|1,0,0]=2 70 B3R0.1 CCNN D93746 [1,0,0,0,0,0|2,0,0]=3 71 B3R0.1 CCNO 77594 [1,0,0,0,0,0|1,0,0]=2 72 B3R0.1 CCON 35725 [1,0,0,0,0,0|2,0,0]=3 73 B3R0.1 CCSC D90442 [1,0,0,0,0,0|1,0,0]=2 74 B3R0.1 CNNC F14608 [1,0,0,0,0,0|2,0,0]=3 75 B3R0.1 CNOC 60204 [1,0,0,0,0,0|2,0,0]=3 76 B3R0.1 COCBr D78328 [1,0,0,0,0,0|2,0,0]=3 77 B3R0.1 CSCCl F20413 [1,0,0,0,0,0|2,0,0]=3 78 B3R0.1 C\C=N\O F13401 [1,0,0,0,0,0|1,0,1]=3 79 B3R0.1 ClCCBr D95298 [1,0,0,0,0,0|2,0,0]=3 80 B3R0.1 FCCI 29129 [1,0,0,0,0,0|2,0,0]=3 81 B3R0.1 ICCI D70963 [1,0,0,0,0,0|2,0,0]=3 82 B3R0.1 N#CCBr D88745 [1,0,0,0,0,0|2,0,1]=4 83 B3R0.1 N#CCF P18220 [1,0,0,0,0,0|2,0,1]=4 84 B3R0.1 N#CCI C10929 [1,0,0,0,0,0|2,0,1]=4 85 B3R0.1 N#CCN 28451 [1,0,0,0,0,0|2,0,1]=4 86 B3R0.1 NCCBr 12331 [1,0,0,0,0,0|2,0,0]=3 87 B3R0.1 NCCCl D70641 [1,0,0,0,0,0|2,0,0]=3 88 B3R0.1 NCCF 22877 [1,0,0,0,0,0|2,0,0]=3 89 B3R0.1 NCCN T72638 [1,0,0,0,0,0|2,0,0]=3 90 B3R0.1 NCCO F17546 [1,0,0,0,0,0|1,0,0]=2 91 B3R0.1 NCCO P20022 [1,0,0,0,0,0|1,0,0]=2 92 B3R0.1 NCCS D70222 [1,0,0,0,0,0|1,1,0]=3 93 B3R0.1 NCCS D88299 [1,0,0,0,0,0|1,1,0]=3 94 B3R0.1 SCCS D78347 [1,0,0,0,0,0|1,1,0]=3 95 B5R0.1 C#CCC(=O)O F14007 [0,1,0,0,0,0|0,0,3]=4 96 B5R0.1 C=C(C)CCBr 80247 [0,1,0,0,0,0|1,0,1]=3 97 B5R0.1 C=C(C)OCC 78535 [0,1,0,0,0,0|2,0,1]=4 98 B5R0.1 C=CCC(=O)O H10768 [0,1,0,0,0,0|0,0,3]=4 99 B5R0.1 C=CCN(C)C D89797 [0,1,0,0,0,0|2,0,1]=4 100 B5R0.1 C=CC[C@H](C)O D92157 [0,1,0,0,0,0|0,0,2]=3 101 B5R0.1 CC#CC(=O)O 66664 [0,1,0,0,0,0|0,0,3]=4 102 B5R0.1 CC(=O)CC#N 88909 [0,1,0,0,0,0|1,0,2]=4 103 B5R0.1 CC(=O)CCCl F20480 [0,1,0,0,0,0|1,0,1]=3 104 B5R0.1 CC(=O)CCO 55787 [0,1,0,0,0,0|0,0,1]=2 105 B5R0.1 CC(=O)NCO FD10622 [0,1,0,0,0,0|1,0,1]=3 106 B5R0.1 CC(=O)OCBr A12670 [0,1,0,0,0,0|2,0,1]=4 107 B5R0.1 CC(=O)OCCl D78132 [0,1,0,0,0,0|2,0,1]=4 108 B5R0.1 CC(=O)\C=N\O D72887 [0,1,0,0,0,0|1,0,2]=4 109 B5R0.1 CC(C)=CCBr 75658 [0,1,0,0,0,0|1,0,2]=4 110 B5R0.1 CC(C)=CCO F20316 [0,1,0,0,0,0|0,0,2]=3 111 B5R0.1 CC(C)CC#N 30285 [0,1,0,0,0,0|1,0,1]=3 112 B5R0.1 CC(C)CNN 86152 [0,1,0,0,0,0|2,0,0]=3 113 B5R0.1 CC(C)CON H10571 [0,1,0,0,0,0|2,0,0]=3 114 B5R0.1 CC(C)N=C=S 28415 [0,1,0,0,0,0|1,1,1]=4 115 B5R0.1 CC=C[C@H](C)O D84201 [0,1,0,0,0,0|0,0,2]=3 116 B5R0.1 CCCB(O)O 33060 [0,1,0,0,0,0|1,0,0]=2 117 B5R0.1 CCCC(=N)N W10324 [0,1,0,0,0,0|1,0,1]=3 118 B5R0.1 CCCC(=O)[O-] D84277 [0,1,0,0,0,0|0,0,2]=3 119 B5R0.1 CCCC(N)=O D70204 [0,1,0,0,0,0|0,0,2]=3 120 B5R0.1 CCC[C@H](C)N 28967 [0,1,0,0,0,0|1,0,0]=2 121 B5R0.1 CCC[C@H](C)O RB3003 [0,1,0,0,0,0|0,0,0]=1 122 B5R0.1 CCC[C@H](C)O T72186 [0,1,0,0,0,0|0,0,0]=1 123 B5R0.1 CCC[N+](=O)[O-] D97683 [0,1,0,0,0,0|1,0,1]=3 124 B5R0.1 CCNC(C)=O AC2513 [0,1,0,0,0,0|1,0,2]=4 125 B5R0.1 CCNC(C)C D77967 [0,1,0,0,0,0|2,0,0]=3 126 B5R0.1 CCNC(N)=O D95291 [0,1,0,0,0,0|1,0,2]=4 127 B5R0.1 CCOC(=S)[S-] D78138 [0,1,0,0,0,0|1,1,1]=4 128 B5R0.1 CCOC(=S)[S-] D90455 [0,1,0,0,0,0|1,1,1]=4 129 B5R0.1 CCOC(C)=N D70134 [0,1,0,0,0,0|2,0,1]=4 130 B5R0.1 CCOC(N)=O F21294 [0,1,0,0,0,0|1,0,2]=4 131 B5R0.1 CCO[SiH](C)C I11477 [0,1,0,0,0,0|2,1,0]=4 132 B5R0.1 CCSC(=N)N D86401 [0,1,0,0,0,0|2,0,1]=4 133 B5R0.1 CCSC(C)=O H11301 [0,1,0,0,0,0|1,0,2]=4 134 B5R0.1 CC[O+]=C(N)N 35842 [0,1,0,0,0,0|2,0,1]=4 135 B5R0.1 CN(C)CC=O O10521 [0,1,0,0,0,0|1,0,2]=4 136 B5R0.1 CN(C)CCBr O10701 [0,1,0,0,0,0|2,0,0]=3 137 B5R0.1 CN(C)CCCl D77997 [0,1,0,0,0,0|2,0,0]=3 138 B5R0.1 CN(C)CCN S12293 [0,1,0,0,0,0|2,0,0]=3 139 B5R0.1 CN(C)CCS 35911 [0,1,0,0,0,0|1,1,0]=3 140 B5R0.1 CNCC(=O)O 73735 [0,1,0,0,0,0|1,0,1]=3 141 B5R0.1 CNCC(=O)O AC7804 [0,1,0,0,0,0|1,0,1]=3 142 B5R0.1 CNCC(N)=O A11560 [0,1,0,0,0,0|1,0,2]=4 143 B5R0.1 COCC(=N)N 20309 [0,1,0,0,0,0|2,0,1]=4 144 B5R0.1 COCC(=O)Cl D78222 [0,1,0,0,0,0|1,0,2]=4 145 B5R0.1 COCC(=O)O D77874 [0,1,0,0,0,0|1,0,1]=3 146 B5R0.1 COCC(C)=O D91400 [0,1,0,0,0,0|1,0,2]=4 147 B5R0.1 COCC(N)=O F20983 [0,1,0,0,0,0|1,0,2]=4 148 B5R0.1 COC[C@H](C)O 35103 [0,1,0,0,0,0|1,0,0]=2 149 B5R0.1 COC[C@H](C)O O10158 [0,1,0,0,0,0|1,0,0]=2 150 B5R0.1 CSCC(=O)O F15988 [0,1,0,0,0,0|1,0,1]=3 151 B5R0.1 CSCC(N)=O 23231 [0,1,0,0,0,0|1,0,2]=4 152 B5R0.1 CSC[S@](C)=O 63104 [0,1,0,0,0,0|2,0,1]=4 153 B5R0.1 C[C@H](Br)CC#N D88813 [0,1,0,0,0,0|1,0,1]=3 154 B5R0.1 C[C@H](Cl)CCCl D89632 [0,1,0,0,0,0|1,0,0]=2 155 B5R0.1 C[C@H](N)CC#N N12426 [0,1,0,0,0,0|1,0,1]=3 156 B5R0.1 C[C@H](N)CCO 36141 [0,1,0,0,0,0|0,0,0]=1 157 B5R0.1 C[C@H](N)CCO 36142 [0,1,0,0,0,0|0,0,0]=1 158 B5R0.1 C[C@H](N)CCO F11725 [0,1,0,0,0,0|0,0,0]=1 159 B5R0.1 C[C@H](O)CCO 55765 [0,1,0,0,0,0|0,0,0]=1 160 B5R0.1 C[C@H](O)CCO O10183 [0,1,0,0,0,0|0,0,0]=1 161 B5R0.1 C[C@H](O)CNN 71999 [0,1,0,0,0,0|2,0,0]=3 162 B5R0.1 C[NH2+]CC(C)C D91375 [0,1,0,0,0,0|2,0,0]=3 163 B5R0.1 C\C=C\B(O)O I12778 [0,1,0,0,0,0|1,0,2]=4 164 B5R0.1 C\C=C\C(=O)O RB8002 [0,1,0,0,0,0|0,0,3]=4 165 B5R0.1 N#CCC(=O)O P20002 [0,1,0,0,0,0|1,0,2]=4 166 B5R0.1 NC(=O)CCBr C16124 [0,1,0,0,0,0|1,0,2]=4 167 B5R0.1 NCCC(N)=O F13534 [0,1,0,0,0,0|1,0,2]=4 168 B5R0.1 NOCC(=O)O H11929 [0,1,0,0,0,0|2,0,1]=4 169 B5R0.1 O=C(Cl)CCBr D88890 [0,1,0,0,0,0|1,0,2]=4 170 B5R0.1 O=C(O)CCBr P17146 [0,1,0,0,0,0|1,0,1]=3 171 B5R0.1 O=C(O)CCF 71324 [0,1,0,0,0,0|1,0,1]=3 172 B5R0.1 O=C(O)CCI D91073 [0,1,0,0,0,0|1,0,1]=3 173 B5R0.1 O=C(O)CCO 77998 [0,1,0,0,0,0|1,0,1]=3 174 B5R0.1 O=C(O)CCS AT21041 [0,1,0,0,0,0|1,0,1]=3 175 B5R0.1 O=[N+]([O-])CCO AC1643 [0,1,0,0,0,0|2,0,0]=3 176 B5R0.2 BrCCCCBr D77910 [0,1,0,0,0,0|1,0,0]=2 177 B5R0.2 BrC\C=C\CBr D72529 [0,1,0,0,0,0|1,0,2]=4 178 B5R0.2 BrC\C=C\CBr F16803 [0,1,0,0,0,0|1,0,2]=4 179 B5R0.2 C#CCCCC 75209 [0,1,0,0,0,0|1,0,0]=2 180 B5R0.2 C#CCCCCl 76259 [0,1,0,0,0,0|1,0,1]=3 181 B5R0.2 C#CCCCO 32105 [0,1,0,0,0,0|0,0,1]=2 182 B5R0.2 C=CCCCBr 78391 [0,1,0,0,0,0|1,0,1]=3 183 B5R0.2 C=CCCCCl O11411 [0,1,0,0,0,0|1,0,1]=3 184 B5R0.2 C=CCCCN 68255 [0,1,0,0,0,0|1,0,1]=3 185 B5R0.2 C=CCCCN 86153 [0,1,0,0,0,0|1,0,1]=3 186 B5R0.2 C=CCCCO 76184 [0,1,0,0,0,0|0,0,1]=2 187 B5R0.2 C=CCSSC D88486 [0,1,0,0,0,0|2,0,1]=4 188 B5R0.2 C=COCCO D78209 [0,1,0,0,0,0|0,0,2]=3 189 B5R0.2 CCC#CCO F19221 [0,1,0,0,0,0|0,0,1]=2 190 B5R0.2 CCCCNN F17594 [0,1,0,0,0,0|1,0,0]=2 191 B5R0.2 CCCCON H11431 [0,1,0,0,0,0|0,0,0]=1 192 B5R0.2 CCCNCC F21346 [0,1,0,0,0,0|1,0,0]=2 193 B5R0.2 CCNCCN AB11316 [0,1,0,0,0,0|1,0,0]=2 194 B5R0.2 CCNCCO 20098 [0,1,0,0,0,0|0,0,0]=1 195 B5R0.2 CCOCCCl 29431 [0,1,0,0,0,0|1,0,0]=2 196 B5R0.2 CCSCCCl D89330 [0,1,0,0,0,0|1,0,0]=2 197 B5R0.2 CCSSCC D89662 [0,1,0,0,0,0|2,0,0]=3 198 B5R0.2 CC\C=C\C#N D92033 [0,1,0,0,0,0|1,0,2]=4 199 B5R0.2 CC\C=C\C=O 11553 [0,1,0,0,0,0|0,0,3]=4 200 B5R0.2 CNCCC#N 75878 [0,1,0,0,0,0|1,0,1]=3 201 B5R0.2 CNCCCCl F16501 [0,1,0,0,0,0|1,0,0]=2 202 B5R0.2 CNCCCN 37144 [0,1,0,0,0,0|1,0,0]=2 203 B5R0.2 CNCCCO 36133 [0,1,0,0,0,0|0,0,0]=1 204 B5R0.2 CNCCNC 39416 [0,1,0,0,0,0|2,0,0]=3 205 B5R0.2 CNCCOC D70346 [0,1,0,0,0,0|1,0,0]=2 206 B5R0.2 CNCCSC AC2521 [0,1,0,0,0,0|1,1,0]=3 207 B5R0.2 COCCC#N D71223 [0,1,0,0,0,0|1,0,1]=3 208 B5R0.2 COCCCBr F11235 [0,1,0,0,0,0|1,0,0]=2 209 B5R0.2 COCCCCl H11766 [0,1,0,0,0,0|1,0,0]=2 210 B5R0.2 COCCCN D81053 [0,1,0,0,0,0|1,0,0]=2 211 B5R0.2 COCCNN 72234 [0,1,0,0,0,0|2,0,0]=3 212 B5R0.2 COCCOC D81126 [0,1,0,0,0,0|1,0,0]=2 213 B5R0.2 COCCOC D83907 [0,1,0,0,0,0|1,0,0]=2 214 B5R0.2 COCCOC F16635 [0,1,0,0,0,0|1,0,0]=2 215 B5R0.2 COCCON D82747 [0,1,0,0,0,0|1,0,0]=2 216 B5R0.2 CSCCCO 79218 [0,1,0,0,0,0|0,0,0]=1 217 B5R0.2 CSCCC[NH3+] D91382 [0,1,0,0,0,0|1,0,0]=2 218 B5R0.2 C\C=C/CCC D90857 [0,1,0,0,0,0|1,0,1]=3 219 B5R0.2 ClCC#CCCl H11321 [0,1,0,0,0,0|1,0,2]=4 220 B5R0.2 ClCCCCBr F11271 [0,1,0,0,0,0|1,0,0]=2 221 B5R0.2 ClCCCCI A10998 [0,1,0,0,0,0|1,0,0]=2 222 B5R0.2 ClCCOCCl 29087 [0,1,0,0,0,0|2,0,0]=3 223 B5R0.2 FCCCCBr D87758 [0,1,0,0,0,0|1,0,0]=2 224 B5R0.2 ICCCCI AC1274 [0,1,0,0,0,0|1,0,0]=2 225 B5R0.2 N#CCCCBr 35256 [0,1,0,0,0,0|1,0,1]=3 226 B5R0.2 N#CCCCCl 20443 [0,1,0,0,0,0|1,0,1]=3 227 B5R0.2 N#CCCNN F12186 [0,1,0,0,0,0|2,0,1]=4 228 B5R0.2 NCCCCBr 24475 [0,1,0,0,0,0|1,0,0]=2 229 B5R0.2 NCCCCN F17678 [0,1,0,0,0,0|1,0,0]=2 230 B5R0.2 NCCCCN N11902 [0,1,0,0,0,0|1,0,0]=2 231 B5R0.2 NCCCCO 51530 [0,1,0,0,0,0|0,0,0]=1 232 B5R0.2 NC\C=C/CCl C11378 [0,1,0,0,0,0|1,0,2]=4 233 B5R0.2 NOCC=CCl D82470 [0,1,0,0,0,0|1,0,2]=4 234 B5R0.2 O=C=NCCCl D91119 [0,1,0,0,0,0|1,0,2]=4 235 B5R0.2 OCCCCBr 54526 [0,1,0,0,0,0|0,0,0]=1 236 B5R0.2 OCCCCCl F11085 [0,1,0,0,0,0|0,0,0]=1 237 B5R0.2 OCCCCI D81265 [0,1,0,0,0,0|0,0,0]=1 238 B5R0.2 OCCNCO D91013 [0,1,0,0,0,0|1,0,0]=2 239 B5R0.2 OC\C=C/CO D70059 [0,1,0,0,0,0|0,0,2]=3 240 B5R0.2 OC\C=C\CO 70835 [0,1,0,0,0,0|0,0,2]=3 241 B5R0.2 [N-]=[N+]=NCCO A12080 [0,1,0,0,0,0|2,0,0]=3 242 B5R0.3 C#C[C@@H](O)CC 75224 [0,1,0,0,0,0|1,0,1]=3 243 B5R0.3 C=C(CBr)CBr 21111 [0,1,0,0,0,0|2,0,1]=4 244 B5R0.3 C=C(CCl)CCl 23001 [0,1,0,0,0,0|2,0,1]=4 245 B5R0.3 C=C(CO)CO 35347 [0,1,0,0,0,0|1,0,1]=3 246 B5R0.3 C=C[C@@H](Cl)CCl D89774 [0,1,0,0,0,0|1,0,2]=4 247 B5R0.3 C=C[C@@H](O)CC F15421 [0,1,0,0,0,0|1,0,1]=3 248 B5R0.3 C=C[C@@H](O)CO D79949 [0,1,0,0,0,0|0,0,2]=3 249 B5R0.3 CC(CBr)CBr 90917 [0,1,0,0,0,0|2,0,0]=3 250 B5R0.3 CC(CN)CN T72131 [0,1,0,0,0,0|2,0,0]=3 251 B5R0.3 CC(CO)CO D71170 [0,1,0,0,0,0|1,0,0]=2 252 B5R0.3 CCC(=N)NO 22901 [0,1,0,0,0,0|1,0,1]=3 253 B5R0.3 CCC(=O)CBr F10475 [0,1,0,0,0,0|1,0,1]=3 254 B5R0.3 CCC(=O)CO C75383 [0,1,0,0,0,0|0,0,1]=2 255 B5R0.3 CCC(=O)NC D91338 [0,1,0,0,0,0|2,0,1]=4 256 B5R0.3 CCC(=O)NN 20641 [0,1,0,0,0,0|2,0,1]=4 257 B5R0.3 CCC(Br)CC H11324 [0,1,0,0,0,0|1,0,0]=2 258 B5R0.3 CCC(N)CC S12161 [0,1,0,0,0,0|1,0,0]=2 259 B5R0.3 CCN(C)CC D97580 [0,1,0,0,0,0|2,0,0]=3 260 B5R0.3 CCS(=O)CC D81870 [0,1,0,0,0,0|2,0,0]=3 261 B5R0.3 CC[C@H](Br)CBr D89608 [0,1,0,0,0,0|1,0,0]=2 262 B5R0.3 CC[C@H](C)CBr A10884 [0,1,0,0,0,0|1,0,0]=2 263 B5R0.3 CC[C@H](C)CCl D89411 [0,1,0,0,0,0|1,0,0]=2 264 B5R0.3 CC[C@H](C)CI D80608 [0,1,0,0,0,0|1,0,0]=2 265 B5R0.3 CC[C@H](C)CN F16114 [0,1,0,0,0,0|1,0,0]=2 266 B5R0.3 CC[C@H](C)CO 88664 [0,1,0,0,0,0|0,0,0]=1 267 B5R0.3 CC[C@H](C)CS D91431 [0,1,0,0,0,0|0,1,0]=2 268 B5R0.3 CC[C@H](C)NC D95752 [0,1,0,0,0,0|2,0,0]=3 269 B5R0.3 CC[C@H](C)NN 72197 [0,1,0,0,0,0|2,0,0]=3 270 B5R0.3 CC[C@H](N)CO 23160 [0,1,0,0,0,0|0,0,0]=1 271 B5R0.3 CC[C@H](N)CO D87517 [0,1,0,0,0,0|0,0,0]=1 272 B5R0.3 CC[C@H](N)CO F14569 [0,1,0,0,0,0|0,0,0]=1 273 B5R0.3 CC[C@H](O)CN D97409 [0,1,0,0,0,0|1,0,0]=2 274 B5R0.3 CC[C@H](O)CO C10640 [0,1,0,0,0,0|0,0,0]=1 275 B5R0.3 CC[C@H](O)CO O10222 [0,1,0,0,0,0|0,0,0]=1 276 B5R0.3 CNC(=O)CBr H10939 [0,1,0,0,0,0|2,0,1]=4 277 B5R0.3 CNC(=O)CCl 28994 [0,1,0,0,0,0|2,0,1]=4 278 B5R0.3 CNC(=O)CN AC1534 [0,1,0,0,0,0|2,0,1]=4 279 B5R0.3 CNC(=O)CN FD21644 [0,1,0,0,0,0|2,0,1]=4 280 B5R0.3 CN[C@@H](C)C#N 31879 [0,1,0,0,0,0|2,0,1]=4 281 B5R0.3 COC(=O)CN 20047 [0,1,0,0,0,0|2,0,1]=4 282 B5R0.3 COC(=O)CO 39413 [0,1,0,0,0,0|1,0,1]=3 283 B5R0.3 CO[C@@H](C)CN 91004 [0,1,0,0,0,0|2,0,0]=3 284 B5R0.3 CO[C@@H](C)CO 29137 [0,1,0,0,0,0|1,0,0]=2 285 B5R0.3 CO[C@@H](C)CO 35966 [0,1,0,0,0,0|1,0,0]=2 286 B5R0.3 CS\C(C)=N\O A11022 [0,1,0,0,0,0|2,0,1]=4 287 B5R0.3 C[C@@H](CN)CO 78445 [0,1,0,0,0,0|1,0,0]=2 288 B5R0.3 C[C@@H](CN)CO AB10326 [0,1,0,0,0,0|1,0,0]=2 289 B5R0.3 ClCC(Cl)CCl D97722 [0,1,0,0,0,0|2,0,0]=3 290 B5R0.3 NC(CO)CO F10927 [0,1,0,0,0,0|1,0,0]=2 291 B5R0.3 NCC(O)CN O10345 [0,1,0,0,0,0|2,0,0]=3 292 B5R0.3 NC[C@H](O)CCl 91258 [0,1,0,0,0,0|2,0,0]=3 293 B5R0.3 NC[C@H](O)CCl F14970 [0,1,0,0,0,0|2,0,0]=3 294 B5R0.3 NC[C@H](O)CO 52095 [0,1,0,0,0,0|1,0,0]=2 295 B5R0.3 NC[C@H](O)CO CL4509 [0,1,0,0,0,0|1,0,0]=2 296 B5R0.3 NC[C@H](O)CO H10491 [0,1,0,0,0,0|1,0,0]=2 297 B5R0.3 NNC(=O)CO 71926 [0,1,0,0,0,0|2,0,1]=4 298 B5R0.3 O=C(CBr)CBr 60498 [0,1,0,0,0,0|2,0,1]=4 299 B5R0.3 O=C(CCl)CCl 73299 [0,1,0,0,0,0|2,0,1]=4 300 B5R0.3 O=C(CO)CO S12381 [0,1,0,0,0,0|1,0,1]=3 301 B5R0.3 OC(CBr)CBr 90914 [0,1,0,0,0,0|2,0,0]=3 302 B5R0.3 OCC(O)CO C13300 [0,1,0,0,0,0|1,0,0]=2 303 B5R0.3 OCC(O)CO D92249 [0,1,0,0,0,0|1,0,0]=2 304 B5R0.3 OC[C@H](Cl)CCl D89647 [0,1,0,0,0,0|1,0,0]=2 305 B5R0.3 OC[C@H](O)CBr D84178 [0,1,0,0,0,0|1,0,0]=2 306 B5R0.3 OC[C@H](O)CCl 28070 [0,1,0,0,0,0|1,0,0]=2 307 B5R0.3 OC[C@H](O)CCl 28077 [0,1,0,0,0,0|1,0,0]=2 308 B5R0.3 OC[C@H](O)CS D92320 [0,1,0,0,0,0|1,0,0]=2 309 B5R0.3 OC[C@H](S)CS D89691 [0,1,0,0,0,0|1,0,0]=2 310 B5R0.3 O[C@@H](CCl)CI D79037 [0,1,0,0,0,0|2,0,0]=3 311 B5R0.3 O[C@@H](CCl)CI D79038 [0,1,0,0,0,0|2,0,0]=3 312 B5R1.1 C1=CCNC1 23121 [0,0,0,1,0,0|1,0,2]=4 313 B5R1.1 C1=CCNC1 39302 [0,0,0,1,0,0|1,0,2]=4 314 B5R1.1 C1=CCOC1 F11214 [0,0,0,1,0,0|0,0,2]=3 315 B5R1.1 C1CCNC1 A12343 [0,0,0,1,0,0|1,0,0]=2 316 B5R1.1 C1CCNC1 D95438 [0,0,0,1,0,0|1,0,0]=2 317 B5R1.1 C1CCOC1 D97750 [0,0,0,1,0,0|0,0,0]=1 318 B5R1.1 C1CNOC1 72098 [0,0,0,1,0,0|1,0,0]=2 319 B5R1.1 C1COCO1 D89731 [0,0,0,1,0,0|1,0,0]=2 320 B5R1.1 C1CSCN1 H10192 [0,0,0,1,0,0|1,1,0]=3 321 B5R1.1 C1CSCN1 H11361 [0,0,0,1,0,0|1,1,0]=3 322 B5R1.2 BrC1CCC1 23146 [0,0,0,1,0,0|1,0,0]=2 323 B5R1.2 BrC1CNC1 70950 [0,0,0,1,0,0|2,0,0]=3 324 B5R1.2 BrC1COC1 CS1302 [0,0,0,1,0,0|2,0,0]=3 325 B5R1.2 C=C1CCC1 90960 [0,0,0,1,0,0|1,0,1]=3 326 B5R1.2 CC1CNC1 80306 [0,0,0,1,0,0|2,0,0]=3 327 B5R1.2 C[C@H]1CCN1 86769 [0,0,0,1,0,0|1,0,0]=2 328 B5R1.2 IC1COC1 66502 [0,0,0,1,0,0|2,0,0]=3 329 B5R1.2 NC1CCC1 51600 [0,0,0,1,0,0|1,0,0]=2 330 B5R1.2 NC1CCC1 F10463 [0,0,0,1,0,0|1,0,0]=2 331 B5R1.2 NC1CNC1 SC3251 [0,0,0,1,0,0|2,0,0]=3 332 B5R1.2 NC1COC1 66129 [0,0,0,1,0,0|2,0,0]=3 333 B5R1.2 NC1COC1 CS1335 [0,0,0,1,0,0|2,0,0]=3 334 B5R1.2 O=C1CCC1 24502 [0,0,0,1,0,0|0,0,2]=3 335 B5R1.2 O=C1CCN1 52806 [0,0,0,1,0,0|1,0,2]=4 336 B5R1.2 O=C1CCO1 AT19319 [0,0,0,1,0,0|1,0,1]=3 337 B5R1.2 O=C1CNC1 51063 [0,0,0,1,0,0|1,0,2]=4 338 B5R1.2 O=C1COC1 66386 [0,0,0,1,0,0|1,0,2]=4 339 B5R1.2 O=C1CSC1 BL008272 [0,0,0,1,0,0|1,0,2]=4 340 B5R1.2 OC1CCC1 59166 [0,0,0,1,0,0|0,0,0]=1 341 B5R1.2 OC1CNC1 52824 [0,0,0,1,0,0|1,0,0]=2 342 B5R1.2 OC1COC1 66387 [0,0,0,1,0,0|1,0,0]=2 343 B5R1.2 OC1CSC1 P17229 [0,0,0,1,0,0|1,0,0]=2 344 B5R1.3 BrCC1CC1 23011 [0,0,0,1,0,0|1,0,0]=2 345 B5R1.3 BrC[C@H]1CO1 D87836 [0,0,0,1,0,0|1,0,0]=2 346 B5R1.3 C#CC1CC1 F15427 [0,0,0,1,0,0|1,0,1]=3 347 B5R1.3 C=C[C@@H]1CO1 D90487 [0,0,0,1,0,0|0,0,2]=3 348 B5R1.3 CC[C@H]1CO1 A11382 [0,0,0,1,0,0|0,0,0]=1 349 B5R1.3 CNC1CC1 83251 [0,0,0,1,0,0|2,0,0]=3 350 B5R1.3 CNC1CC1 BL006056 [0,0,0,1,0,0|2,0,0]=3 351 B5R1.3 ClCC1CC1 58186 [0,0,0,1,0,0|1,0,0]=2 352 B5R1.3 ClC[C@H]1CO1 37930 [0,0,0,1,0,0|1,0,0]=2 353 B5R1.3 NCC1CC1 F11902 [0,0,0,1,0,0|1,0,0]=2 354 B5R1.3 O=CC1CC1 82833 [0,0,0,1,0,0|0,0,2]=3 355 B5R1.3 OC[C@H]1CO1 23077 [0,0,0,1,0,0|1,0,0]=2 356 B5R1.3 OC[C@H]1CO1 A10767 [0,0,0,1,0,0|1,0,0]=2 357 B5R1.3 OC[C@H]1CO1 H11320 [0,0,0,1,0,0|1,0,0]=2 358 B5R1.4 N[C@@H]1C[C@@H]1F P19427 [0,0,0,1,0,0|2,0,0]=3 359 B2R0.1 BrCI S11031 [2,0,0,0,0,0|2,0,0]=4 360 B2R0.1 C=NO 28803 [2,0,0,0,0,0|1,0,1]=4 361 B2R0.1 CC#N 34239 [2,0,0,0,0,0|1,0,1]=4 362 B2R0.1 CC=O D78540 [2,0,0,0,0,0|0,0,2]=4 363 B2R0.1 CC[O-] D78336 [2,0,0,0,0,0|0,0,1]=3 364 B2R0.1 CC[S-] H10136 [2,0,0,0,0,0|0,1,0]=3 365 B2R0.1 CNO 77593 [2,0,0,0,0,0|1,0,0]=3 366 B2R0.1 CON C93493 [2,0,0,0,0,0|2,0,0]=4 367 B2R0.1 C[SnH4+2]C D90313 [2,0,0,0,0,0|1,0,0]=3 368 B2R0.1 C[SnH4+2]C H11302 [2,0,0,0,0,0|1,0,0]=3 369 B2R0.1 ClCI D78022 [2,0,0,0,0,0|2,0,0]=4 370 B2R0.1 O=CO 43929 [2,0,0,0,0,0|1,0,1]=4 371 B2R0.1 O=CO D78097 [2,0,0,0,0,0|1,0,1]=4 372 B2R0.1 OPO AB10327 [2,0,0,0,0,0|2,0,0]=4 373 B2R0.1 [2H]OC D95537 [2,0,0,0,0,0|2,0,0]=4 374 B4R0.1 C#CC(C)C 22832 [1,1,0,0,0,0|0,0,2]=4 375 B4R0.1 C#C[C@H](C)N P17981 [1,1,0,0,0,0|0,0,2]=4 376 B4R0.1 C#C[C@H](C)O 55689 [1,1,0,0,0,0|0,0,2]=4 377 B4R0.1 C#C[C@H](C)O F17654 [1,1,0,0,0,0|0,0,2]=4 378 B4R0.1 C=C(Br)CO D84296 [1,1,0,0,0,0|0,0,2]=4 379 B4R0.1 C=C(C)CBr 29319 [1,1,0,0,0,0|1,0,1]=4 380 B4R0.1 C=C(C)CN 29496 [1,1,0,0,0,0|1,0,1]=4 381 B4R0.1 C=C(C)CO H10780 [1,1,0,0,0,0|0,0,1]=3 382 B4R0.1 C=C[C@H](C)O W13854 [1,1,0,0,0,0|0,0,2]=4 383 B4R0.1 CC(=N)NO 74820 [1,1,0,0,0,0|1,0,1]=4 384 B4R0.1 CC(=O)CBr 76485 [1,1,0,0,0,0|1,0,1]=4 385 B4R0.1 CC(=O)CN 24448 [1,1,0,0,0,0|1,0,1]=4 386 B4R0.1 CC(=O)NO 78370 [1,1,0,0,0,0|1,0,1]=4 387 B4R0.1 CC(C)=NO D70154 [1,1,0,0,0,0|1,0,1]=4 388 B4R0.1 CC(C)CN D70621 [1,1,0,0,0,0|1,0,0]=3 389 B4R0.1 CC(C)NN 35766 [1,1,0,0,0,0|2,0,0]=4 390 B4R0.1 CC(C)NN C10400 [1,1,0,0,0,0|2,0,0]=4 391 B4R0.1 CC(C)NO 77595 [1,1,0,0,0,0|1,0,0]=3 392 B4R0.1 CC(C)ON 77602 [1,1,0,0,0,0|2,0,0]=4 393 B4R0.1 CCB(O)O 33051 [1,1,0,0,0,0|1,0,0]=3 394 B4R0.1 CCC(=N)N 65202 [1,1,0,0,0,0|1,0,1]=4 395 B4R0.1 CCC(N)=O O12053 [1,1,0,0,0,0|0,0,2]=4 396 B4R0.1 CCC(N)=S AT14776 [1,1,0,0,0,0|0,1,1]=4 397 B4R0.1 CC[C@H](C)O 70716 [1,1,0,0,0,0|0,0,0]=2 398 B4R0.1 CC[C@H](C)O 70832 [1,1,0,0,0,0|0,0,0]=2 399 B4R0.1 CC[S@](=O)[O-] F16489 [1,1,0,0,0,0|1,0,1]=4 400 B4R0.1 CNC(C)C 39417 [1,1,0,0,0,0|1,0,0]=3 401 B4R0.1 CNN(C)C 66800 [1,1,0,0,0,0|2,0,0]=4 402 B4R0.1 COC(Cl)Cl D87753 [1,1,0,0,0,0|2,0,0]=4 403 B4R0.1 CSC(C)=O D82067 [1,1,0,0,0,0|1,0,1]=4 404 B4R0.1 C[C@H](Br)C#N S12043 [1,1,0,0,0,0|1,0,1]=4 405 B4R0.1 C[C@H](Cl)CO H11590 [1,1,0,0,0,0|0,0,0]=2 406 B4R0.1 C[C@H](Cl)CO O10168 [1,1,0,0,0,0|0,0,0]=2 407 B4R0.1 C[C@H](N)CN 35106 [1,1,0,0,0,0|1,0,0]=3 408 B4R0.1 C[C@H](N)CN P20461 [1,1,0,0,0,0|1,0,0]=3 409 B4R0.1 C[C@H](N)CO 28476 [1,1,0,0,0,0|0,0,0]=2 410 B4R0.1 C[C@H](N)CO 29970 [1,1,0,0,0,0|0,0,0]=2 411 B4R0.1 C[C@H](N)CO 29971 [1,1,0,0,0,0|0,0,0]=2 412 B4R0.1 C[C@H](O)CCl C10666 [1,1,0,0,0,0|1,0,0]=3 413 B4R0.1 C[C@H](O)CCl D87799 [1,1,0,0,0,0|1,0,0]=3 414 B4R0.1 C[C@H](O)CCl H11611 [1,1,0,0,0,0|1,0,0]=3 415 B4R0.1 C[C@H](O)CN 86259 [1,1,0,0,0,0|1,0,0]=3 416 B4R0.1 C[C@H](O)CN 86301 [1,1,0,0,0,0|1,0,0]=3 417 B4R0.1 C[C@H](O)CN A10592 [1,1,0,0,0,0|1,0,0]=3 418 B4R0.1 C[C@H](O)CO A11633 [1,1,0,0,0,0|0,0,0]=2 419 B4R0.1 C[C@H](O)CO A11634 [1,1,0,0,0,0|0,0,0]=2 420 B4R0.1 C\C(N)=N\O 35620 [1,1,0,0,0,0|1,0,1]=4 421 B4R0.1 FC(F)CI 30620 [1,1,0,0,0,0|2,0,0]=4 422 B4R0.1 N=C(N)CO C10100 [1,1,0,0,0,0|1,0,1]=4 423 B4R0.1 NC(=O)CO D77798 [1,1,0,0,0,0|1,0,1]=4 424 B4R0.1 NCC(=O)O D70890 [1,1,0,0,0,0|1,0,1]=4 425 B4R0.1 NCC(=O)O F21278 [1,1,0,0,0,0|1,0,1]=4 426 B4R0.1 NCC(F)F O10557 [1,1,0,0,0,0|2,0,0]=4 427 B4R0.1 O=C(O)CO D78078 [1,1,0,0,0,0|1,0,1]=4 428 B4R0.1 OCC(F)F FD2062 [1,1,0,0,0,0|1,0,0]=3 429 B6R0.1 C#C\C(C)=C/CO D70132 [0,2,0,0,0,0|0,0,2]=4 430 B6R0.1 C=C[C@@H](O)CCC D90922 [0,2,0,0,0,0|0,0,0]=2 431 B6R0.1 CCC(=O)CC#N 28991 [0,2,0,0,0,0|1,0,1]=4 432 B6R0.1 CCCC(=O)CC D90801 [0,2,0,0,0,0|1,0,0]=3 433 B6R0.1 CCCC(=O)NN O11707 [0,2,0,0,0,0|0,0,2]=4 434 B6R0.1 CCCC(=O)SC D91533 [0,2,0,0,0,0|0,0,2]=4 435 B6R0.1 CCC[C@@H](Cl)CC D76318 [0,2,0,0,0,0|1,0,0]=3 436 B6R0.1 CCC[C@H](C)CCl D89415 [0,2,0,0,0,0|1,0,0]=3 437 B6R0.1 CCC[C@H](N)CO A10468 [0,2,0,0,0,0|0,0,0]=2 438 B6R0.1 CCC[C@H](O)CO 73676 [0,2,0,0,0,0|0,0,0]=2 439 B6R0.1 CCOC(=N)CC W15737 [0,2,0,0,0,0|1,0,1]=4 440 B6R0.1 CCOC(=O)CN C93496 [0,2,0,0,0,0|1,0,1]=4 441 B6R0.1 CCOC(=O)CO 39380 [0,2,0,0,0,0|0,0,1]=3 442 B6R0.1 CCOC(=O)CS F21271 [0,2,0,0,0,0|0,1,1]=4 443 B6R0.1 CCOC(=O)OC A11149 [0,2,0,0,0,0|1,0,1]=4 444 B6R0.1 CCO[C@@H](C)CC D88933 [0,2,0,0,0,0|1,0,0]=3 445 B6R0.1 CCO\C(C)=N\O 23036 [0,2,0,0,0,0|1,0,1]=4 446 B6R0.1 CCO\C(C)=N\O H10740 [0,2,0,0,0,0|1,0,1]=4 447 B6R0.1 CN(C=O)CCO AC2477 [0,2,0,0,0,0|1,0,0]=3 448 B6R0.1 CNCC(=O)OC 73733 [0,2,0,0,0,0|1,0,1]=4 449 B6R0.1 CNC[C@H](O)CO CL4501 [0,2,0,0,0,0|0,0,0]=2 450 B6R0.1 COC(=O)CCBr AB7483 [0,2,0,0,0,0|1,0,1]=4 451 B6R0.1 COC(=O)CCCl D95821 [0,2,0,0,0,0|1,0,1]=4 452 B6R0.1 COC(=O)CCN S12362 [0,2,0,0,0,0|1,0,1]=4 453 B6R0.1 COC(=O)CCO 29940 [0,2,0,0,0,0|0,0,1]=3 454 B6R0.1 COC(=O)CCS D70327 [0,2,0,0,0,0|0,1,1]=4 455 B6R0.1 COC(=O)CSC D87959 [0,2,0,0,0,0|1,0,1]=4 456 B6R0.1 COC[C@@H](O)CO H10736 [0,2,0,0,0,0|0,0,0]=2 457 B6R0.1 COC[C@H](O)CCl D84795 [0,2,0,0,0,0|1,0,0]=3 458 B6R0.1 CO[C@@H](C)CCO D77758 [0,2,0,0,0,0|0,0,0]=2 459 B6R0.1 CS[C@@H](C)CC=O D91557 [0,2,0,0,0,0|0,0,2]=4 460 B6R0.1 C[C@H](CO)CCN 78036 [0,2,0,0,0,0|0,0,0]=2 461 B6R0.1 C[C@H](CO)CCO 63982 [0,2,0,0,0,0|0,0,0]=2 462 B6R0.1 C[C@H](CO)CCO 70021 [0,2,0,0,0,0|0,0,0]=2 463 B6R0.1 N#CC[C@H](O)CCl 23634 [0,2,0,0,0,0|1,0,1]=4 464 B6R0.1 N#CC[C@H](O)CCl F20410 [0,2,0,0,0,0|1,0,1]=4 465 B6R0.1 O=C(CCl)NCO O10755 [0,2,0,0,0,0|1,0,1]=4 466 B6R0.1 OCC[C@H](O)CCl D94503 [0,2,0,0,0,0|0,0,0]=2 467 B6R0.1 OCC[C@H](O)CO 56159 [0,2,0,0,0,0|0,0,0]=2 468 B6R0.1 OCC[C@H](O)CO 56160 [0,2,0,0,0,0|0,0,0]=2 469 B6R0.1 OCC[C@H](O)CO AC2226 [0,2,0,0,0,0|0,0,0]=2 470 B6R0.1 O[C@H](CBr)CCBr F14612 [0,2,0,0,0,0|1,0,0]=3 471 B6R0.2 CC(C)CB(O)O 33194 [0,2,0,0,0,0|1,0,0]=3 472 B6R0.2 CC(C)CC(=O)O D78213 [0,2,0,0,0,0|0,0,1]=3 473 B6R0.2 CC(C)C[C@H](C)N 40017 [0,2,0,0,0,0|1,0,0]=3 474 B6R0.2 CC(C)NC(C)C 41183 [0,2,0,0,0,0|2,0,0]=4 475 B6R0.2 CC(C)NC(C)C D89143 [0,2,0,0,0,0|2,0,0]=4 476 B6R0.2 CC(C)NC(C)C D94741 [0,2,0,0,0,0|2,0,0]=4 477 B6R0.2 CC(C)NC(C)C D95064 [0,2,0,0,0,0|2,0,0]=4 478 B6R0.2 CC(O)CC(C)O D91996 [0,2,0,0,0,0|0,0,0]=2 479 B6R0.2 CN(C)CC(=O)O 28781 [0,2,0,0,0,0|1,0,1]=4 480 B6R0.2 CN(C)CC(=O)O 73674 [0,2,0,0,0,0|1,0,1]=4 481 B6R0.2 C[C@H](Cl)CC(=O)Cl AC1766 [0,2,0,0,0,0|0,0,2]=4 482 B6R0.2 C[C@H](Cl)CC(=O)O D89206 [0,2,0,0,0,0|0,0,1]=3 483 B6R0.2 C[C@H](N)CC(=O)O 62356 [0,2,0,0,0,0|0,0,1]=3 484 B6R0.2 C[C@H](N)CC(=O)O 62357 [0,2,0,0,0,0|0,0,1]=3 485 B6R0.2 C[C@H](N)CC(=O)O 62358 [0,2,0,0,0,0|0,0,1]=3 486 B6R0.2 C[C@H](N)CC(=O)O 62359 [0,2,0,0,0,0|0,0,1]=3 487 B6R0.2 C[C@H](N)CC(=O)O 62363 [0,2,0,0,0,0|0,0,1]=3 488 B6R0.2 C[C@H](N)CN(C)C 76719 [0,2,0,0,0,0|2,0,0]=4 489 B6R0.2 C[C@H](O)CC(=O)O D84191 [0,2,0,0,0,0|0,0,1]=3 490 B6R0.2 C[C@H](O)CC(=O)O O10175 [0,2,0,0,0,0|0,0,1]=3 491 B6R0.2 C[C@H](O)CC(=O)[O-] 23392 [0,2,0,0,0,0|0,0,2]=4 492 B6R0.2 C[C@H](O)CC(=O)[O-] H10236 [0,2,0,0,0,0|0,0,2]=4 493 B6R0.2 C[C@H](O)CN(C)C D93027 [0,2,0,0,0,0|1,0,0]=3 494 B6R0.2 C[C@H](O)C[C@H](C)O 73920 [0,2,0,0,0,0|0,0,0]=2 495 B6R0.2 C[C@H](O)C[C@H](C)O D74604 [0,2,0,0,0,0|0,0,0]=2 496 B6R0.2 C[C@H](O)C[C@H](C)O T72451 [0,2,0,0,0,0|0,0,0]=2 497 B6R0.3 CC(C)C(=N)NO 71448 [0,2,0,0,0,0|1,0,1]=4 498 B6R0.3 CC(C)C(=N)NO AC7221 [0,2,0,0,0,0|1,0,1]=4 499 B6R0.3 CC(C)C(=O)CBr 24581 [0,2,0,0,0,0|1,0,1]=4 500 B6R0.3 CC(C)[C@@H](N)CO 23132 [0,2,0,0,0,0|0,0,0]=2 501 B6R0.3 CC(C)[C@@H](N)CO 39407 [0,2,0,0,0,0|0,0,0]=2 502 B6R0.3 CC(C)[C@@H](N)CO A10466 [0,2,0,0,0,0|0,0,0]=2 503 B6R0.3 CC(C)\C(N)=N\O 71215 [0,2,0,0,0,0|1,0,1]=4 504 B6R0.3 CCC(=O)C(=O)O O10846 [0,2,0,0,0,0|0,0,2]=4 505 B6R0.3 CCC(=O)[C@H](C)Br T71350 [0,2,0,0,0,0|1,0,1]=4 506 B6R0.3 CCC(O)C(C)O D93064 [0,2,0,0,0,0|0,0,0]=2 507 B6R0.3 CC[C@H](Br)C(=O)Br D88666 [0,2,0,0,0,0|0,0,2]=4 508 B6R0.3 CC[C@H](Br)C(=O)Cl D89047 [0,2,0,0,0,0|0,0,2]=4 509 B6R0.3 CC[C@H](Br)C(=O)O P18633 [0,2,0,0,0,0|0,0,1]=3 510 B6R0.3 CC[C@H](Br)C(=O)O P18634 [0,2,0,0,0,0|0,0,1]=3 511 B6R0.3 CC[C@H](Br)C(N)=O F30757 [0,2,0,0,0,0|0,0,2]=4 512 B6R0.3 CC[C@H](C)B(O)O 33152 [0,2,0,0,0,0|1,0,0]=3 513 B6R0.3 CC[C@H](C)C(=O)O 88657 [0,2,0,0,0,0|0,0,1]=3 514 B6R0.3 CC[C@H](C)C(=O)O 88663 [0,2,0,0,0,0|0,0,1]=3 515 B6R0.3 CC[C@H](Cl)C(=O)O D89205 [0,2,0,0,0,0|0,0,1]=3 516 B6R0.3 CC[C@H](N)C(=O)O 11781 [0,2,0,0,0,0|0,0,1]=3 517 B6R0.3 CC[C@H](N)C(=O)O 23105 [0,2,0,0,0,0|0,0,1]=3 518 B6R0.3 CC[C@H](N)C(=O)O 25309 [0,2,0,0,0,0|0,0,1]=3 519 B6R0.3 CC[C@H](N)C(=O)O 80046 [0,2,0,0,0,0|0,0,1]=3 520 B6R0.3 CC[C@H](N)C(N)=O F11533 [0,2,0,0,0,0|0,0,2]=4 521 B6R0.3 CC[C@H](N)[C@@H](C)O D79477 [0,2,0,0,0,0|0,0,0]=2 522 B6R0.3 CC[C@H](O)C(=O)O 24676 [0,2,0,0,0,0|0,0,1]=3 523 B6R0.3 CC[C@H](O)C(=O)O A11368 [0,2,0,0,0,0|0,0,1]=3 524 B6R0.3 CC[C@H](O)C(=O)O D90822 [0,2,0,0,0,0|0,0,1]=3 525 B6R0.3 CC[C@H](O)C(=O)[O-] S10336 [0,2,0,0,0,0|0,0,2]=4 526 B6R0.3 CC[C@H](O)C(=O)[O-] S10400 [0,2,0,0,0,0|0,0,2]=4 527 B6R0.3 CN(C)C(=O)CO C77616 [0,2,0,0,0,0|1,0,1]=4 528 B6R0.3 CN[C@@H](C)C(=O)O 28475 [0,2,0,0,0,0|1,0,1]=4 529 B6R0.3 CN[C@@H](C)C(=O)O FD21004 [0,2,0,0,0,0|1,0,1]=4 530 B6R0.3 CN[C@@H](C)C(=O)O FD21006 [0,2,0,0,0,0|1,0,1]=4 531 B6R0.3 COC(=O)[C@H](C)O C10549 [0,2,0,0,0,0|1,0,1]=4 532 B6R0.3 COC(=O)[C@H](C)O F11215 [0,2,0,0,0,0|1,0,1]=4 533 B6R0.3 COC(C)C(C)O 78000 [0,2,0,0,0,0|1,0,0]=3 534 B6R0.3 CO[C@@H](C)C(=O)O 25435 [0,2,0,0,0,0|1,0,1]=4 535 B6R0.3 CO[C@@H](C)C(=O)O 77786 [0,2,0,0,0,0|1,0,1]=4 536 B6R0.3 CO[C@@H](C)C(=O)O CS1158 [0,2,0,0,0,0|1,0,1]=4 537 B6R0.3 C[C@@H](CBr)C(=O)O A10794 [0,2,0,0,0,0|1,0,1]=4 538 B6R0.3 C[C@@H](CN)C(=O)O 22851 [0,2,0,0,0,0|1,0,1]=4 539 B6R0.3 C[C@@H](CN)C(=O)O 52204 [0,2,0,0,0,0|1,0,1]=4 540 B6R0.3 C[C@@H](CS)C(=O)O D91461 [0,2,0,0,0,0|1,0,1]=4 541 B6R0.3 C[C@H](O)[C@@H](N)CO 66706 [0,2,0,0,0,0|0,0,0]=2 542 B6R0.3 C[C@H](O)[C@@H](N)CO F11954 [0,2,0,0,0,0|0,0,0]=2 543 B6R0.3 NC(=O)[C@@H](N)CO 71065 [0,2,0,0,0,0|1,0,1]=4 544 B6R0.3 NC(=O)[C@@H](N)CO FD3061 [0,2,0,0,0,0|1,0,1]=4 545 B6R0.3 NC[C@H](N)C(=O)O 22838 [0,2,0,0,0,0|1,0,1]=4 546 B6R0.3 NC[C@H](N)C(=O)O 51944 [0,2,0,0,0,0|1,0,1]=4 547 B6R0.3 NC[C@H](N)C(=O)O 51945 [0,2,0,0,0,0|1,0,1]=4 548 B6R0.3 NC[C@H](N)C(=O)O FD1046 [0,2,0,0,0,0|1,0,1]=4 549 B6R0.3 NC[C@H](O)C(=O)O 50049 [0,2,0,0,0,0|1,0,1]=4 550 B6R0.3 NC[C@H](O)C(=O)O C10711 [0,2,0,0,0,0|1,0,1]=4 551 B6R0.3 N[C@@H](CCl)C(=O)O 77992 [0,2,0,0,0,0|1,0,1]=4 552 B6R0.3 N[C@@H](CCl)C(=O)O F11547 [0,2,0,0,0,0|1,0,1]=4 553 B6R0.3 N[C@@H](CCl)C(=O)O FD21123 [0,2,0,0,0,0|1,0,1]=4 554 B6R0.3 N[C@@H](CO)C(=O)O 29580 [0,2,0,0,0,0|1,0,1]=4 555 B6R0.3 N[C@@H](CO)C(=O)O 30744 [0,2,0,0,0,0|1,0,1]=4 556 B6R0.3 N[C@@H](CO)C(=O)O D70822 [0,2,0,0,0,0|1,0,1]=4 557 B6R0.3 N[C@@H](CS)C(=O)O 22868 [0,2,0,0,0,0|1,0,1]=4 558 B6R0.3 N[C@@H](CS)C(=O)O 24506 [0,2,0,0,0,0|1,0,1]=4 559 B6R0.3 N[C@@H](CS)C(=O)O 37900 [0,2,0,0,0,0|1,0,1]=4 560 B6R0.3 N[C@@H](CS)C(=O)O AC8040 [0,2,0,0,0,0|1,0,1]=4 561 B6R0.3 N[C@@H](CS)C(=O)O E72644 [0,2,0,0,0,0|1,0,1]=4 562 B6R0.3 N[C@@H](CS)C(=O)O FD21265 [0,2,0,0,0,0|1,0,1]=4 563 B6R0.3 N[C@@H](CS)C(=O)O FD21267 [0,2,0,0,0,0|1,0,1]=4 564 B6R0.3 N[C@@H](CS)C(=O)O FD21272 [0,2,0,0,0,0|1,0,1]=4 565 B6R0.3 N[C@@H](CS)C(=O)O FD3010 [0,2,0,0,0,0|1,0,1]=4 566 B6R0.3 O=C(O)[C@@H](Br)CBr O10565 [0,2,0,0,0,0|1,0,1]=4 567 B6R0.3 O=C(O)[C@@H](Br)CO AB10178 [0,2,0,0,0,0|1,0,1]=4 568 B6R0.3 O=C(O)[C@@H](Cl)CCl D89648 [0,2,0,0,0,0|1,0,1]=4 569 B6R0.3 O=C(O)[C@@H](O)CO A51166 [0,2,0,0,0,0|1,0,1]=4 570 B6R0.4 C#CCCC(=O)O 90045 [0,2,0,0,0,0|0,0,2]=4 571 B6R0.4 C=C(C)CNCC D95542 [0,2,0,0,0,0|1,0,1]=4 572 B6R0.4 C=CCCC(=O)O O12040 [0,2,0,0,0,0|0,0,2]=4 573 B6R0.4 CC(=O)CCCCl D77754 [0,2,0,0,0,0|1,0,0]=3 574 B6R0.4 CC(=O)CCCO 24602 [0,2,0,0,0,0|0,0,0]=2 575 B6R0.4 CC(=O)NCCN D70867 [0,2,0,0,0,0|1,0,1]=4 576 B6R0.4 CC(=O)NCCO FD10637 [0,2,0,0,0,0|0,0,1]=3 577 B6R0.4 CC(=O)NCCS AT13754 [0,2,0,0,0,0|0,1,1]=4 578 B6R0.4 CC(=O)OCCBr C10198 [0,2,0,0,0,0|1,0,1]=4 579 B6R0.4 CC(=O)OCCCl D88201 [0,2,0,0,0,0|1,0,1]=4 580 B6R0.4 CC(=O)OCCO D88371 [0,2,0,0,0,0|0,0,1]=3 581 B6R0.4 CC(C)=CCCBr F19983 [0,2,0,0,0,0|1,0,1]=4 582 B6R0.4 CC(C)CCCBr O10389 [0,2,0,0,0,0|1,0,0]=3 583 B6R0.4 CC(C)CCCO F20439 [0,2,0,0,0,0|0,0,0]=2 584 B6R0.4 CC(C)NCCCl 20398 [0,2,0,0,0,0|1,0,0]=3 585 B6R0.4 CC(C)NCCO D78491 [0,2,0,0,0,0|0,0,0]=2 586 B6R0.4 CCC#CC(=O)O D84135 [0,2,0,0,0,0|0,0,2]=4 587 B6R0.4 CCCCB(O)O 33151 [0,2,0,0,0,0|0,0,0]=2 588 B6R0.4 CCCCC(=N)N 31933 [0,2,0,0,0,0|1,0,0]=3 589 B6R0.4 CCCCC(=N)N W16181 [0,2,0,0,0,0|1,0,0]=3 590 B6R0.4 CCCCC(=O)[O-] F16484 [0,2,0,0,0,0|0,0,1]=3 591 B6R0.4 CCCCC(N)=O A10835 [0,2,0,0,0,0|0,0,1]=3 592 B6R0.4 CCCNC(C)=O D97464 [0,2,0,0,0,0|0,0,2]=4 593 B6R0.4 CCCNC(N)=S D86341 [0,2,0,0,0,0|0,1,1]=4 594 B6R0.4 CCCOC(=S)[S-] D91970 [0,2,0,0,0,0|0,1,1]=4 595 B6R0.4 CCCOC(N)=O F16337 [0,2,0,0,0,0|0,0,2]=4 596 B6R0.4 CCCSC(C)=O D92148 [0,2,0,0,0,0|0,0,2]=4 597 B6R0.4 CCOCC(C)C D93520 [0,2,0,0,0,0|1,0,0]=3 598 B6R0.4 CCSCC(=O)O D95699 [0,2,0,0,0,0|0,0,1]=3 599 B6R0.4 CC\C=C\C(=O)O D72497 [0,2,0,0,0,0|0,0,2]=4 600 B6R0.4 CC\C=C\C(=O)O P17755 [0,2,0,0,0,0|0,0,2]=4 601 B6R0.4 CN(C)CCCBr 25428 [0,2,0,0,0,0|1,0,0]=3 602 B6R0.4 CN(C)CCCCl 23626 [0,2,0,0,0,0|1,0,0]=3 603 B6R0.4 CN(C)CCCCl AC7814 [0,2,0,0,0,0|1,0,0]=3 604 B6R0.4 CN(C)CCCS D93440 [0,2,0,0,0,0|0,1,0]=3 605 B6R0.4 CNCCC(=O)O 29150 [0,2,0,0,0,0|0,0,1]=3 606 B6R0.4 CNCCC(=O)O C76064 [0,2,0,0,0,0|0,0,1]=3 607 B6R0.4 CNCCN(C)C 20029 [0,2,0,0,0,0|2,0,0]=4 608 B6R0.4 CNCCN(C)C 24589 [0,2,0,0,0,0|2,0,0]=4 609 B6R0.4 COCCC(=N)N W16180 [0,2,0,0,0,0|1,0,1]=4 610 B6R0.4 COCCC(=O)O F14687 [0,2,0,0,0,0|0,0,1]=3 611 B6R0.4 COCCN(C)C A11162 [0,2,0,0,0,0|1,0,0]=3 612 B6R0.4 CSCCC(=O)O D87669 [0,2,0,0,0,0|0,0,1]=3 613 B6R0.4 CSCCC(C)=O D91573 [0,2,0,0,0,0|0,0,2]=4 614 B6R0.4 C[C@H](Br)CCCBr F14613 [0,2,0,0,0,0|1,0,0]=3 615 B6R0.4 C[C@H](O)CCCO 22874 [0,2,0,0,0,0|0,0,0]=2 616 B6R0.4 C\C=C\CC(=O)O D92067 [0,2,0,0,0,0|0,0,2]=4 617 B6R0.4 N#CCCC(=O)O 81998 [0,2,0,0,0,0|0,0,2]=4 618 B6R0.4 NC(=O)NCCO C10765 [0,2,0,0,0,0|1,0,1]=4 619 B6R0.4 NCCCC(=O)O D70585 [0,2,0,0,0,0|0,0,1]=3 620 B6R0.4 O=C(Cl)CCCBr P19996 [0,2,0,0,0,0|0,0,2]=4 621 B6R0.4 O=C(O)CCCBr 20498 [0,2,0,0,0,0|0,0,1]=3 622 B6R0.4 O=C(O)CCCCl F19286 [0,2,0,0,0,0|0,0,1]=3 623 B6R0.4 O=C(O)CCCS F20547 [0,2,0,0,0,0|0,0,1]=3 624 B6R0.5 CC(C)(C)CC=O 60546 [0,2,0,0,0,0|0,0,2]=4 625 B6R0.5 CC(C)(C)CCBr 29514 [0,2,0,0,0,0|1,0,0]=3 626 B6R0.5 CC(C)(C)CCCl D95900 [0,2,0,0,0,0|1,0,0]=3 627 B6R0.5 CC(C)(C)CCO 61808 [0,2,0,0,0,0|0,0,0]=2 628 B6R0.5 CC(C)(N)CCO F13529 [0,2,0,0,0,0|0,0,0]=2 629 B6R0.5 CC(C)(O)CC#N D88032 [0,2,0,0,0,0|1,0,1]=4 630 B6R0.5 CC(C)(O)CCBr RB3141 [0,2,0,0,0,0|1,0,0]=3 631 B6R0.5 CC(C)(S)CCO D91597 [0,2,0,0,0,0|0,0,0]=2 632 B6R0.5 CCCC(C)(C)Cl H10235 [0,2,0,0,0,0|1,0,0]=3 633 B6R0.5 CCCS(=O)(=O)Cl N10374 [0,2,0,0,0,0|1,0,1]=4 634 B6R0.5 CCCS(=O)(=O)[O-] D91948 [0,2,0,0,0,0|1,0,1]=4 635 B6R0.5 CCCS(N)(=O)=O W12497 [0,2,0,0,0,0|1,0,1]=4 636 B6R0.5 CCC[Si](Cl)(Cl)Cl D91955 [0,2,0,0,0,0|1,1,0]=4 637 B6R0.5 CNCC(C)(C)C D94980 [0,2,0,0,0,0|2,0,0]=4 638 B6R0.5 CNCC(C)(C)C F20240 [0,2,0,0,0,0|2,0,0]=4 639 B6R0.5 CNCC(C)(C)O W12311 [0,2,0,0,0,0|1,0,0]=3 640 B6R0.5 COCC(C)(C)N 28354 [0,2,0,0,0,0|2,0,0]=4 641 B6R0.5 COCC(C)(C)N 32588 [0,2,0,0,0,0|2,0,0]=4 642 B6R0.5 COCC(C)(C)O 67570 [0,2,0,0,0,0|1,0,0]=3 643 B6R0.5 CS(=O)(=O)CCCl 72256 [0,2,0,0,0,0|2,0,0]=4 644 B6R0.5 CS(=O)(=O)CCN AR2651 [0,2,0,0,0,0|2,0,0]=4 645 B6R0.5 CS(=O)(=O)CCN C77681 [0,2,0,0,0,0|2,0,0]=4 646 B6R0.5 CS(=O)(=O)CCO D73179 [0,2,0,0,0,0|1,0,0]=3 647 B6R0.5 C[N+](C)(C)CCBr D88668 [0,2,0,0,0,0|2,0,0]=4 648 B6R0.5 C[N+](C)(C)CCCl C10106 [0,2,0,0,0,0|2,0,0]=4 649 B6R0.5 C[N+](C)(C)CCO D70213 [0,2,0,0,0,0|1,0,0]=3 650 B6R0.5 C[N+](C)(C)CCO D70215 [0,2,0,0,0,0|1,0,0]=3 651 B6R0.5 C[N+](C)(C)CCO D78341 [0,2,0,0,0,0|1,0,0]=3 652 B6R0.5 C[N+](C)(C)CCO D89232 [0,2,0,0,0,0|1,0,0]=3 653 B6R0.5 C[Si](C)(C)CCO 75284 [0,2,0,0,0,0|0,1,0]=3 654 B6R0.5 ClCCC(Cl)(Cl)Cl D92599 [0,2,0,0,0,0|2,0,0]=4 655 B6R0.5 FC(F)(F)CCI FD2005 [0,2,0,0,0,0|2,0,0]=4 656 B6R0.5 NCCC(F)(F)F P15354 [0,2,0,0,0,0|2,0,0]=4 657 B6R0.5 NCCP(=O)(O)O C73847 [0,2,0,0,0,0|2,0,0]=4 658 B6R0.5 NCCS(=O)(=O)O D78121 [0,2,0,0,0,0|2,0,0]=4 659 B6R0.5 O=S(=O)(O)CCO A10809 [0,2,0,0,0,0|2,0,0]=4 660 B6R0.5 OCCC(F)(F)F 29133 [0,2,0,0,0,0|1,0,0]=3 661 B6R0.6 BrCCCCCBr D70772 [0,2,0,0,0,0|1,0,0]=3 662 B6R0.6 BrCCOCCBr 12226 [0,2,0,0,0,0|1,0,0]=3 663 B6R0.6 C#CCCCC#C D90884 [0,2,0,0,0,0|1,0,1]=4 664 B6R0.6 C#CCCCCO F10490 [0,2,0,0,0,0|0,0,0]=2 665 B6R0.6 C#CCOCCN C70245 [0,2,0,0,0,0|1,0,1]=4 666 B6R0.6 C#CCOCCO F16468 [0,2,0,0,0,0|0,0,1]=3 667 B6R0.6 C=CCCCCBr F14895 [0,2,0,0,0,0|1,0,0]=3 668 B6R0.6 C=CCCCCCl N11935 [0,2,0,0,0,0|1,0,0]=3 669 B6R0.6 C=CCCCCO 35574 [0,2,0,0,0,0|0,0,0]=2 670 B6R0.6 C=COCCCN 75654 [0,2,0,0,0,0|1,0,0]=3 671 B6R0.6 CCC#CCCO F11743 [0,2,0,0,0,0|0,0,0]=2 672 B6R0.6 CCCC#CCO D90881 [0,2,0,0,0,0|0,0,0]=2 673 B6R0.6 CCCC=CC=O D78252 [0,2,0,0,0,0|0,0,2]=4 674 B6R0.6 CCCCCCI F20355 [0,2,0,0,0,0|1,0,0]=3 675 B6R0.6 CCCCCCN F19564 [0,2,0,0,0,0|1,0,0]=3 676 B6R0.6 CCCCCNC D91584 [0,2,0,0,0,0|1,0,0]=3 677 B6R0.6 CCCCN=C=S D91107 [0,2,0,0,0,0|0,1,0]=3 678 B6R0.6 CCCNCCC D89745 [0,2,0,0,0,0|1,0,0]=3 679 B6R0.6 CCCNCCO C10761 [0,2,0,0,0,0|0,0,0]=2 680 B6R0.6 CCCOCCCl H10822 [0,2,0,0,0,0|1,0,0]=3 681 B6R0.6 CCC\C=C\CO D78301 [0,2,0,0,0,0|0,0,0]=2 682 B6R0.6 CCNCCCN D82016 [0,2,0,0,0,0|1,0,0]=3 683 B6R0.6 CCNCCCO 31655 [0,2,0,0,0,0|0,0,0]=2 684 B6R0.6 CCNCCOC H11999 [0,2,0,0,0,0|0,0,0]=2 685 B6R0.6 CCOCCCCl D95770 [0,2,0,0,0,0|1,0,0]=3 686 B6R0.6 CCOCCCO D95933 [0,2,0,0,0,0|0,0,0]=2 687 B6R0.6 CC\C=C/CCO 73722 [0,2,0,0,0,0|0,0,0]=2 688 B6R0.6 CNCCCCO F10210 [0,2,0,0,0,0|0,0,0]=2 689 B6R0.6 COCCCCBr F13727 [0,2,0,0,0,0|0,0,0]=2 690 B6R0.6 COCCCCCl 28715 [0,2,0,0,0,0|0,0,0]=2 691 B6R0.6 COCCCCO D78159 [0,2,0,0,0,0|0,0,0]=2 692 B6R0.6 COCCN=[N+]=[N-] AC8733 [0,2,0,0,0,0|2,0,0]=4 693 B6R0.6 COCCOCCl H11303 [0,2,0,0,0,0|1,0,0]=3 694 B6R0.6 COCOCOC 75328 [0,2,0,0,0,0|1,0,0]=3 695 B6R0.6 C[NH2+]CCC[NH2+]C D90229 [0,2,0,0,0,0|1,0,0]=3 696 B6R0.6 C\C=C\C=C\CO D77844 [0,2,0,0,0,0|0,0,2]=4 697 B6R0.6 ClCCCCCBr S10881 [0,2,0,0,0,0|1,0,0]=3 698 B6R0.6 ClCCCCCI A10955 [0,2,0,0,0,0|1,0,0]=3 699 B6R0.6 ClCCNCCCl 97536 [0,2,0,0,0,0|1,0,0]=3 700 B6R0.6 FCCCCCBr 24471 [0,2,0,0,0,0|1,0,0]=3 701 B6R0.6 ICCCCCI P10001 [0,2,0,0,0,0|1,0,0]=3 702 B6R0.6 ICCOCCI C90294 [0,2,0,0,0,0|1,0,0]=3 703 B6R0.6 N#CCCCC#N D95363 [0,2,0,0,0,0|1,0,1]=4 704 B6R0.6 N#CCCCCCl 28437 [0,2,0,0,0,0|1,0,0]=3 705 B6R0.6 N#CCCCCN S10714 [0,2,0,0,0,0|1,0,0]=3 706 B6R0.6 N#CCOCCCl 72645 [0,2,0,0,0,0|1,0,1]=4 707 B6R0.6 NCCCCCN D83408 [0,2,0,0,0,0|1,0,0]=3 708 B6R0.6 NCCCCCO I11482 [0,2,0,0,0,0|0,0,0]=2 709 B6R0.6 NCCNCCO D77720 [0,2,0,0,0,0|0,0,0]=2 710 B6R0.6 NCCOCCN 75244 [0,2,0,0,0,0|1,0,0]=3 711 B6R0.6 NCCOCCN 75301 [0,2,0,0,0,0|1,0,0]=3 712 B6R0.6 NCCOCCO C70233 [0,2,0,0,0,0|0,0,0]=2 713 B6R0.6 NCCSCCN FD10524 [0,2,0,0,0,0|1,0,0]=3 714 B6R0.6 O=C=NCCCCl D89529 [0,2,0,0,0,0|0,0,2]=4 715 B6R0.6 O=CCCCCCl C10094 [0,2,0,0,0,0|0,0,1]=3 716 B6R0.6 O=CCCCCO F19841 [0,2,0,0,0,0|0,0,0]=2 717 B6R0.6 OCCCCCBr 23140 [0,2,0,0,0,0|0,0,0]=2 718 B6R0.6 OCCCCCCl O11412 [0,2,0,0,0,0|0,0,0]=2 719 B6R0.6 OCCNCCCl F50591 [0,2,0,0,0,0|0,0,0]=2 720 B6R0.6 OCCNCCO D92250 [0,2,0,0,0,0|0,0,0]=2 721 B6R0.6 OCCOCCBr S10705 [0,2,0,0,0,0|0,0,0]=2 722 B6R0.6 OCCOCCCl D72518 [0,2,0,0,0,0|0,0,0]=2 723 B6R0.6 SCCCCCS D92137 [0,2,0,0,0,0|0,1,0]=3 724 B6R0.6 SCCSCCS D91485 [0,2,0,0,0,0|0,1,0]=3 725 B6R0.8 C#C[C@@](C)(N)CC 52216 [0,2,0,0,0,0|1,0,1]=4 726 B6R0.8 CC(C)(C#N)CO O11012 [0,2,0,0,0,0|1,0,1]=4 727 B6R0.8 CC(C)(C=O)CO 39324 [0,2,0,0,0,0|1,0,1]=4 728 B6R0.8 CC(C)(CBr)CBr S10693 [0,2,0,0,0,0|2,0,0]=4 729 B6R0.8 CC(C)(CN)CN D89885 [0,2,0,0,0,0|2,0,0]=4 730 B6R0.8 CC(C)(CN)CO 35391 [0,2,0,0,0,0|1,0,0]=3 731 B6R0.8 CC(C)(CO)CBr D97756 [0,2,0,0,0,0|1,0,0]=3 732 B6R0.8 CC(C)(CO)CCl D84357 [0,2,0,0,0,0|1,0,0]=3 733 B6R0.8 CC(C)(CO)CO D71071 [0,2,0,0,0,0|1,0,0]=3 734 B6R0.8 CC[C@](C)(O)C#N 22165 [0,2,0,0,0,0|1,0,1]=4 735 B6R0.8 CNC(C)(C)CO F19204 [0,2,0,0,0,0|1,0,0]=3 736 B6R0.8 COC(C)(C)CO I10175 [0,2,0,0,0,0|1,0,0]=3 737 B6R0.8 NCC(F)(F)CO P12538 [0,2,0,0,0,0|1,0,0]=3 738 B6R0.8 OCC(F)(F)CO F52367 [0,2,0,0,0,0|1,0,0]=3 739 B6R0.9 CCC(CC)CBr D88873 [0,2,0,0,0,0|1,0,0]=3 740 B6R0.9 CCC(CC)CO D78539 [0,2,0,0,0,0|0,0,0]=2 741 B6R0.9 CCC(CC)NC 30677 [0,2,0,0,0,0|1,0,0]=3 742 B6R0.9 CCC(CC)NN AB9880 [0,2,0,0,0,0|1,0,0]=3 743 B6R0.9 CCC(CO)CO AB3752 [0,2,0,0,0,0|0,0,0]=2 744 B6R0.9 CCN(C=O)CC A10832 [0,2,0,0,0,0|2,0,0]=4 745 B6R0.9 CCN(CC)CC D78014 [0,2,0,0,0,0|2,0,0]=4 746 B6R0.9 CCN(CC)CC D92579 [0,2,0,0,0,0|2,0,0]=4 747 B6R0.9 CCN(CC)CC D94937 [0,2,0,0,0,0|2,0,0]=4 748 B6R0.9 CCN(CC)N=O F14922 [0,2,0,0,0,0|2,0,0]=4 749 B6R0.9 CCP(CC)CC D94529 [0,2,0,0,0,0|2,0,0]=4 750 B6R0.9 CC[O+](CC)CC 67663 [0,2,0,0,0,0|2,0,0]=4 751 B6R0.9 CC[SiH](CC)CC S12352 [0,2,0,0,0,0|1,1,0]=4 752 B6R0.9 COC(CBr)OC P16529 [0,2,0,0,0,0|2,0,0]=4 753 B6R0.9 COC(CN)OC D72504 [0,2,0,0,0,0|2,0,0]=4 754 B6R0.9 COC(CO)OC 36713 [0,2,0,0,0,0|1,0,0]=3 755 B6R0.9 OCC(CO)CO 59936 [0,2,0,0,0,0|1,0,0]=3 756 B4R1.1 C1CNC1 29084 [1,0,0,1,0,0|1,0,0]=3 757 B4R1.2 BrC1CC1 55622 [1,0,0,1,0,0|1,0,0]=3 758 B4R1.2 C[C@H]1CS1 D91944 [1,0,0,1,0,0|0,1,0]=3 759 B4R1.2 NC1CC1 P19977 [1,0,0,1,0,0|1,0,0]=3 760 B4R1.2 OC1CC1 87295 [1,0,0,1,0,0|0,0,0]=2 761 B6R1.2 Br[C@H]1CCNC1 23535 [0,1,0,1,0,0|1,0,0]=3 762 B6R1.2 Br[C@H]1CCOC1 25079 [0,1,0,1,0,0|0,0,0]=2 763 B6R1.2 CC1=NCCC1 35340 [0,1,0,1,0,0|1,0,0]=3 764 B6R1.2 CC1=NCCN1 S11926 [0,1,0,1,0,0|1,0,1]=4 765 B6R1.2 CC1=NCCO1 F16112 [0,1,0,1,0,0|0,0,1]=3 766 B6R1.2 CC1=NCCS1 D91305 [0,1,0,1,0,0|0,1,1]=4 767 B6R1.2 CN1CCCC1 D78045 [0,1,0,1,0,0|1,0,0]=3 768 B6R1.2 C[C@H]1CCCN1 11755 [0,1,0,1,0,0|1,0,0]=3 769 B6R1.2 C[C@H]1CCCN1 23331 [0,1,0,1,0,0|1,0,0]=3 770 B6R1.2 C[C@H]1CCCN1 64834 [0,1,0,1,0,0|1,0,0]=3 771 B6R1.2 C[C@H]1CCCN1 64835 [0,1,0,1,0,0|1,0,0]=3 772 B6R1.2 C[C@H]1CCCN1 64836 [0,1,0,1,0,0|1,0,0]=3 773 B6R1.2 C[C@H]1CCCS1 TD8134 [0,1,0,1,0,0|0,1,0]=3 774 B6R1.2 C[C@H]1CCNC1 69325 [0,1,0,1,0,0|1,0,0]=3 775 B6R1.2 C[C@H]1CCNC1 69329 [0,1,0,1,0,0|1,0,0]=3 776 B6R1.2 C[C@H]1CCOC1 F16704 [0,1,0,1,0,0|0,0,0]=2 777 B6R1.2 C[S+]1CCCC1 AC8164 [0,1,0,1,0,0|0,1,0]=3 778 B6R1.2 ClP1OCCO1 D89371 [0,1,0,1,0,0|2,0,0]=4 779 B6R1.2 F[C@H]1CCNC1 26948 [0,1,0,1,0,0|1,0,0]=3 780 B6R1.2 F[C@H]1CCNC1 37160 [0,1,0,1,0,0|1,0,0]=3 781 B6R1.2 F[C@H]1CCNC1 83419 [0,1,0,1,0,0|1,0,0]=3 782 B6R1.2 IC1CCCC1 P10039 [0,1,0,1,0,0|1,0,0]=3 783 B6R1.2 I[C@H]1CCOC1 82009 [0,1,0,1,0,0|0,0,0]=2 784 B6R1.2 N=C1CCCS1 H10471 [0,1,0,1,0,0|0,1,1]=4 785 B6R1.2 NC1=NCCC1 23751 [0,1,0,1,0,0|1,0,1]=4 786 B6R1.2 NC1CC=CC1 66023 [0,1,0,1,0,0|1,0,1]=4 787 B6R1.2 NC1CCCC1 22312 [0,1,0,1,0,0|1,0,0]=3 788 B6R1.2 N[C@H]1CCNC1 41400 [0,1,0,1,0,0|1,0,0]=3 789 B6R1.2 N[C@H]1CCNC1 52206 [0,1,0,1,0,0|1,0,0]=3 790 B6R1.2 N[C@H]1CCNC1 70366 [0,1,0,1,0,0|1,0,0]=3 791 B6R1.2 N[C@H]1CCNC1 N12040 [0,1,0,1,0,0|1,0,0]=3 792 B6R1.2 N[C@H]1CCNC1 S10941 [0,1,0,1,0,0|1,0,0]=3 793 B6R1.2 N[C@H]1CCNC1 T70189 [0,1,0,1,0,0|1,0,0]=3 794 B6R1.2 N[C@H]1CCOC1 24756 [0,1,0,1,0,0|0,0,0]=2 795 B6R1.2 N[C@H]1CCOC1 29281 [0,1,0,1,0,0|0,0,0]=2 796 B6R1.2 N[C@H]1CCOC1 37020 [0,1,0,1,0,0|0,0,0]=2 797 B6R1.2 N[C@H]1CCOC1 37021 [0,1,0,1,0,0|0,0,0]=2 798 B6R1.2 N[C@H]1CCOC1 53315 [0,1,0,1,0,0|0,0,0]=2 799 B6R1.2 N[C@H]1CCOC1 SC1299 [0,1,0,1,0,0|0,0,0]=2 800 B6R1.2 O=C1CCCN1 D95709 [0,1,0,1,0,0|0,0,2]=4 801 B6R1.2 O=C1CCCN1 D96808 [0,1,0,1,0,0|0,0,2]=4 802 B6R1.2 O=C1CCNC1 65410 [0,1,0,1,0,0|0,0,2]=4 803 B6R1.2 O=C1CCOC1 28102 [0,1,0,1,0,0|0,0,1]=3 804 B6R1.2 O=C1CCSC1 37995 [0,1,0,1,0,0|0,0,2]=4 805 B6R1.2 O=C1NCCO1 C93484 [0,1,0,1,0,0|1,0,1]=4 806 B6R1.2 O=C1OCCO1 D72525 [0,1,0,1,0,0|1,0,1]=4 807 B6R1.2 O=S1CCCC1 D92307 [0,1,0,1,0,0|0,0,1]=3 808 B6R1.2 O=S1OCCO1 AC7916 [0,1,0,1,0,0|2,0,0]=4 809 B6R1.2 OC1=NNCC1 I10060 [0,1,0,1,0,0|1,0,1]=4 810 B6R1.2 OC1CC=CC1 68362 [0,1,0,1,0,0|0,0,1]=3 811 B6R1.2 O[C@@H]1CCCO1 31275 [0,1,0,1,0,0|0,0,0]=2 812 B6R1.2 O[C@H]1CCNC1 29173 [0,1,0,1,0,0|0,0,0]=2 813 B6R1.2 O[C@H]1CCNC1 29174 [0,1,0,1,0,0|0,0,0]=2 814 B6R1.2 O[C@H]1CCNC1 29175 [0,1,0,1,0,0|0,0,0]=2 815 B6R1.2 O[C@H]1CCNC1 38203 [0,1,0,1,0,0|0,0,0]=2 816 B6R1.2 O[C@H]1CCNC1 62968 [0,1,0,1,0,0|0,0,0]=2 817 B6R1.2 O[C@H]1CCNC1 62970 [0,1,0,1,0,0|0,0,0]=2 818 B6R1.2 O[C@H]1CCOC1 37369 [0,1,0,1,0,0|0,0,0]=2 819 B6R1.2 O[C@H]1CCOC1 66692 [0,1,0,1,0,0|0,0,0]=2 820 B6R1.2 O[C@H]1CCOC1 66694 [0,1,0,1,0,0|0,0,0]=2 821 B6R1.2 O[C@H]1CCSC1 W10543 [0,1,0,1,0,0|0,0,0]=2 822 B6R1.2 O[C@H]1CNOC1 31853 [0,1,0,1,0,0|1,0,0]=3 823 B6R1.2 S=C1CCCN1 D95546 [0,1,0,1,0,0|0,1,1]=4 824 B6R1.2 S=C1NCCO1 79469 [0,1,0,1,0,0|1,0,1]=4 825 B6R1.2 SC1CCCC1 D89300 [0,1,0,1,0,0|0,1,0]=3 826 B6R1.3 BrCC[C@H]1CO1 30763 [0,1,0,1,0,0|0,0,0]=2 827 B6R1.3 CCNC1CC1 AC2514 [0,1,0,1,0,0|1,0,0]=3 828 B6R1.3 CCNC1CC1 F20037 [0,1,0,1,0,0|1,0,0]=3 829 B6R1.3 CNCC1CC1 71893 [0,1,0,1,0,0|1,0,0]=3 830 B6R1.3 COC[C@H]1CO1 D90741 [0,1,0,1,0,0|0,0,0]=2 831 B6R1.3 COC[C@H]1CO1 D90742 [0,1,0,1,0,0|0,0,0]=2 832 B6R1.3 COC[C@H]1CO1 F11173 [0,1,0,1,0,0|0,0,0]=2 833 B6R1.3 N#CCC1CC1 35740 [0,1,0,1,0,0|1,0,0]=3 834 B6R1.3 NCCC1CC1 38310 [0,1,0,1,0,0|1,0,0]=3 835 B6R1.3 NCCC1CC1 AB6939 [0,1,0,1,0,0|1,0,0]=3 836 B6R1.3 NNCC1CC1 BL010401 [0,1,0,1,0,0|1,0,0]=3 837 B6R1.3 O=CNC1CC1 W10329 [0,1,0,1,0,0|0,0,2]=4 838 B6R1.3 OCCC1CC1 35626 [0,1,0,1,0,0|0,0,0]=2 839 B6R1.3 OCCN1CC1 52820 [0,1,0,1,0,0|0,0,0]=2 840 B6R1.5 CN1CC(N)C1 55423 [0,1,0,1,0,0|2,0,0]=4 841 B6R1.5 NC1CC(=O)C1 33403 [0,1,0,1,0,0|0,0,2]=4 842 B6R1.5 NC1CC(O)C1 36119 [0,1,0,1,0,0|0,0,0]=2 843 B6R1.5 NC1CC(O)C1 37220 [0,1,0,1,0,0|0,0,0]=2 844 B6R1.5 N[C@H]1C[C@@H](O)C1 39165 [0,1,0,1,0,0|0,0,0]=2 845 B6R1.5 N[C@H]1C[C@H](Br)C1 D96555 [0,1,0,1,0,0|1,0,0]=3 846 B6R1.5 N[C@H]1C[C@H](N)C1 38582 [0,1,0,1,0,0|1,0,0]=3 847 B6R1.5 N[C@H]1C[C@H](O)C1 39166 [0,1,0,1,0,0|0,0,0]=2 848 B6R1.5 O=C1CC(Br)C1 38627 [0,1,0,1,0,0|0,0,2]=4 849 B6R1.9 N[C@H]1CC1(F)F 71668 [0,1,0,1,0,0|2,0,0]=4 850 B6R1.10 CC1(C)CNC1 61820 [0,1,0,1,0,0|2,0,0]=4 851 B6R1.10 CC1(N)CNC1 37384 [0,1,0,1,0,0|2,0,0]=4 852 B6R1.10 CC1(N)COC1 36209 [0,1,0,1,0,0|2,0,0]=4 853 B6R1.10 CC1(O)CNC1 54090 [0,1,0,1,0,0|1,0,0]=3 854 B6R1.10 CC1(O)COC1 69106 [0,1,0,1,0,0|1,0,0]=3 855 B6R1.10 Cl[Si]1(Cl)CCC1 D95280 [0,1,0,1,0,0|1,1,0]=4 856 B6R1.10 FC1(F)CNC1 26221 [0,1,0,1,0,0|2,0,0]=4 857 B6R1.10 FC1(F)COC1 A51193 [0,1,0,1,0,0|2,0,0]=4 858 B6R1.11 CC(=O)C1CC1 79965 [0,1,0,1,0,0|0,0,2]=4 859 B6R1.11 C[C@H](N)C1CC1 30876 [0,1,0,1,0,0|1,0,0]=3 860 B6R1.11 C[C@H](N)C1CC1 71703 [0,1,0,1,0,0|1,0,0]=3 861 B6R1.11 C[C@H](N)C1CC1 72740 [0,1,0,1,0,0|1,0,0]=3 862 B6R1.11 C[C@H](N)C1CC1 F11381 [0,1,0,1,0,0|1,0,0]=3 863 B6R1.11 C[C@H](O)C1CC1 W10546 [0,1,0,1,0,0|0,0,0]=2 864 B6R1.11 N=C(N)C1CC1 59460 [0,1,0,1,0,0|1,0,1]=4 865 B6R1.11 N=C(N)C1CC1 W10323 [0,1,0,1,0,0|1,0,1]=4 866 B6R1.11 NC(=O)C1CC1 R10019 [0,1,0,1,0,0|0,0,2]=4 867 B6R1.11 NC(=S)C1CC1 82485 [0,1,0,1,0,0|0,1,1]=4 868 B6R1.11 O=C(Cl)C1CC1 D78023 [0,1,0,1,0,0|0,0,2]=4 869 B6R1.11 O=C(O)C1CC1 44496 [0,1,0,1,0,0|0,0,1]=3 870 B6R1.11 O=C([O-])[C@@H]1CO1 RB3380 [0,1,0,1,0,0|1,0,1]=4 871 B6R1.11 OB(O)C1CC1 68356 [0,1,0,1,0,0|1,0,0]=3 872 B6R1.1 C1=CCNCC1 37471 [0,1,0,1,0,0|1,0,1]=4 873 B6R1.1 C1=CCNCC1 AB7774 [0,1,0,1,0,0|1,0,1]=4 874 B6R1.1 C1=CCOCC1 37905 [0,1,0,1,0,0|0,0,1]=3 875 B6R1.1 C1=COCCC1 D78128 [0,1,0,1,0,0|0,0,1]=3 876 B6R1.1 C1CCNCC1 D77674 [0,1,0,1,0,0|1,0,0]=3 877 B6R1.1 C1CCNNC1 AB2862 [0,1,0,1,0,0|1,0,0]=3 878 B6R1.1 C1CCONC1 72394 [0,1,0,1,0,0|0,0,0]=2 879 B6R1.1 C1CCSCC1 D78391 [0,1,0,1,0,0|0,1,0]=3 880 B6R1.1 C1CNCCN1 D97840 [0,1,0,1,0,0|1,0,0]=3 881 B6R1.1 C1COCCN1 D70343 [0,1,0,1,0,0|0,0,0]=2 882 B6R1.1 C1COCCN1 D95446 [0,1,0,1,0,0|0,0,0]=2 883 B6R1.1 C1COCCN1 F14226 [0,1,0,1,0,0|0,0,0]=2 884 B6R1.1 C1CSCCN1 P10015 [0,1,0,1,0,0|0,1,0]=3 885 B6R1.1 C1CSCCO1 D87969 [0,1,0,1,0,0|0,0,0]=2 886 B6R1.1 C1CSCSC1 S10678 [0,1,0,1,0,0|0,1,0]=3 887 B6R1.1 C1SCSCS1 D92358 [0,1,0,1,0,0|1,1,0]=4 888 B6R1.6 BrCC1CCC1 55311 [0,1,0,1,0,0|1,0,0]=3 889 B6R1.6 BrCC1COC1 P12750 [0,1,0,1,0,0|1,0,0]=3 890 B6R1.6 CNC1CNC1 37853 [0,1,0,1,0,0|2,0,0]=4 891 B6R1.6 CNC1COC1 32882 [0,1,0,1,0,0|1,0,0]=3 892 B6R1.6 COC1CNC1 34638 [0,1,0,1,0,0|1,0,0]=3 893 B6R1.6 COC1CNC1 63504 [0,1,0,1,0,0|1,0,0]=3 894 B6R1.6 ClCC1COC1 29833 [0,1,0,1,0,0|1,0,0]=3 895 B6R1.6 ICC1CCC1 P15852 [0,1,0,1,0,0|1,0,0]=3 896 B6R1.6 ICC1COC1 80847 [0,1,0,1,0,0|1,0,0]=3 897 B6R1.6 IC[C@H]1CCO1 30641 [0,1,0,1,0,0|0,0,0]=2 898 B6R1.6 N#CC1CCC1 82484 [0,1,0,1,0,0|1,0,0]=3 899 B6R1.6 N#CC1CNC1 52028 [0,1,0,1,0,0|1,0,1]=4 900 B6R1.6 NCC1CCC1 33345 [0,1,0,1,0,0|1,0,0]=3 901 B6R1.6 NCC1CCC1 35685 [0,1,0,1,0,0|1,0,0]=3 902 B6R1.6 NCC1COC1 66389 [0,1,0,1,0,0|1,0,0]=3 903 B6R1.6 NCC1COC1 F14274 [0,1,0,1,0,0|1,0,0]=3 904 B6R1.6 NC[C@H]1CCO1 32892 [0,1,0,1,0,0|0,0,0]=2 905 B6R1.6 O=CC1CCC1 83143 [0,1,0,1,0,0|0,0,1]=3 906 B6R1.6 OCC1CCC1 24520 [0,1,0,1,0,0|0,0,0]=2 907 B6R1.6 OCC1CNC1 SC3671 [0,1,0,1,0,0|0,0,0]=2 908 B6R1.6 OCC1COC1 81312 [0,1,0,1,0,0|0,0,0]=2 909 B6R1.7 C=C[C@]1(C)CO1 11393 [0,1,0,1,0,0|0,0,2]=4 910 B6R1.7 CC1(CO)CC1 71010 [0,1,0,1,0,0|0,0,0]=2 911 B6R1.7 CCC1(N)CC1 P15302 [0,1,0,1,0,0|1,0,0]=3 912 B6R1.7 CCC1(O)CC1 P20221 [0,1,0,1,0,0|1,0,0]=3 913 B6R1.7 C[C@]1(CCl)CO1 29677 [0,1,0,1,0,0|1,0,0]=3 914 B6R1.7 N#CC1(N)CC1 51141 [0,1,0,1,0,0|1,0,1]=4 915 B6R1.7 NC1(CO)CC1 80110 [0,1,0,1,0,0|0,0,0]=2 916 B6R1.7 NCC1(O)CC1 27319 [0,1,0,1,0,0|1,0,0]=3