0 B8R1.22 C1CC(=O)CCC=C1 TS04197 [0,0,0,0,0,0|1,0,2]=3 1 B8R1.22 C1CC(=O)CCNC1 TS89498 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.22 C1CC(CCNC1)F TS91335 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.22 C1CC(CCNC1)N TS04492 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.22 C1CC(CCNC1)O TS01362 [0,0,0,0,0,0|2,0,2]=4 5 B8R1.22 C1CCC(=O)C=CC1 TS01401 [0,0,0,0,0,0|1,0,1]=2 6 B8R1.22 C1CCC(=O)NCC1 TS04386 [0,0,0,0,0,0|0,0,0]=0 7 B8R1.22 C1CCC(=O)NCC1 TS49157 [0,0,0,0,0,0|0,0,0]=0 8 B8R1.22 C1CCC(=O)OCC1 TS59735 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.22 C1CCC(=S)NCC1 TS05487 [0,0,0,0,0,0|0,1,0]=1 10 B8R1.22 C1CCCC(=O)CC1 TS31926 [0,0,0,0,0,0|1,0,0]=1 11 B8R1.22 C1CCCC(CC1)Br TS46223 [0,0,0,0,0,0|2,0,1]=3 12 B8R1.22 C1CCCC(CC1)Cl TS36739 [0,0,0,0,0,0|2,0,1]=3 13 B8R1.22 C1CCCC(CC1)N TS04399 [0,0,0,0,0,0|2,0,1]=3 14 B8R1.22 C1CCCC(CC1)O TS04470 [0,0,0,0,0,0|1,0,2]=3 15 B8R1.22 C1CCCN(CC1)N TS04497 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.22 C1CCNC(=S)NC1 TS05580 [0,0,0,0,0,0|1,1,0]=2 17 B8R1.22 C1CCNCC(C1)N TS07845 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.22 C1CNCC(=O)NC1 TS32078 [0,0,0,0,0,0|1,0,0]=1 19 B8R1.22 C1COCC(=O)CO1 TS32190 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.22 C1COCCNC1=O TS04534 [0,0,0,0,0,0|1,0,0]=1 21 B8R1.22 C=C1OCCCCO1 TS04434 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.22 CC1=CCCCCC1 TS04216 [0,0,0,0,0,0|2,0,0]=2 23 B8R1.22 CC1CCCCCC1 TS04339 [0,0,0,0,0,0|2,0,1]=3 24 B8R1.22 CC1OCCCCO1 TS32214 [0,0,0,0,0,0|3,0,1]=4 25 B8R1.22 CN1CCCCCC1 TS32032 [0,0,0,0,0,0|3,0,0]=3 26 B8R1.22 CN1CCCNCC1 TS00463 [0,0,0,0,0,0|4,0,0]=4 27 B7R1.24 C1C=CCOCO1 TS03849 [1,0,0,0,0,0|3,0,0]=4 28 B7R1.24 C1CC=CC=CC1 TS03682 [1,0,0,0,0,0|1,0,2]=4 29 B7R1.24 C1CCC=CCC1 TS31384 [1,0,0,0,0,0|1,0,0]=2 30 B7R1.24 C1CCCCCC1 TS03793 [1,0,0,0,0,0|1,0,1]=3 31 B7R1.24 C1CCCNCC1 TS39804 [1,0,0,0,0,0|0,0,1]=2 32 B7R1.24 C1CCCOCC1 TS31519 [1,0,0,0,0,0|1,0,1]=3 33 B7R1.24 C1CCCSCC1 TS04639 [1,0,0,0,0,0|1,0,1]=3 34 B7R1.24 C1CCOCOC1 TS03952 [1,0,0,0,0,0|2,0,1]=4 35 B7R1.24 C1CCSCSC1 TS36881 [1,0,0,0,0,0|2,0,1]=4 36 B7R1.24 C1CNCCNC1 TS08536 [1,0,0,0,0,0|1,0,1]=3 37 B7R1.24 C1CNCCOC1 TS02067 [1,0,0,0,0,0|1,0,1]=3 38 B9R1.5 C1CCC(=O)N(CC1)Br TS51395 [0,1,0,0,0,0|0,0,0]=1 39 B9R1.5 C1CCNC(=O)C(C1)N TS05359 [0,1,0,0,0,0|0,0,0]=1 40 B9R1.5 C1CCNC(=O)[C@@H](C1)N TS59665 [0,1,0,0,0,0|0,0,0]=1 41 B9R1.5 C1CCNC(=O)[C@H](C1)N TS05365 [0,1,0,0,0,0|0,0,0]=1 42 B9R1.5 C1CC[C@@H]([C@H](CC1)O)O TS05544 [0,1,0,0,0,0|1,0,2]=4 43 B9R1.5 C1CC[C@H]([C@@H](CC1)O)O TS05561 [0,1,0,0,0,0|1,0,2]=4 44 B9R1.5 C1CSC[C@@H](C(=O)N1)N TS46614 [0,1,0,0,0,0|1,0,0]=2 45 B9R1.5 CN1CCCCCC1=O TS36239 [0,1,0,0,0,0|0,0,0]=1 46 B9R1.5 CN1CCCNCC1=O TS05356 [0,1,0,0,0,0|1,0,0]=2 47 B9R1.48 C1CCC(=O)CC(=O)C1 TS36124 [0,1,0,0,0,0|1,0,1]=3 48 B9R1.48 C1CCC(=O)OC(=O)C1 TS36278 [0,1,0,0,0,0|1,0,1]=3 49 B9R1.48 CC1CC(=O)NCCN1 TS86852 [0,1,0,0,0,0|1,0,0]=2 50 B9R1.49 CN1CCC(=O)NCC1 TS05363 [0,1,0,0,0,0|1,0,0]=2 51 B9R1.49 CN1CCCC(CC1)N TS87553 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.49 CN1CCCC(CC1)O TS36433 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.89 C1CCC=C(CC1)C#N TS32476 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.89 C1CCCC(=NO)CC1 TS05273 [0,1,0,0,0,0|1,0,1]=3 55 B9R1.89 C1CCCC(CC1)C#N TS04981 [0,1,0,0,0,0|2,0,1]=4 56 B9R1.89 C1CCCC(CC1)C=O TS05193 [0,1,0,0,0,0|1,0,1]=3 57 B9R1.89 C1CCCC(CC1)CI TS26149 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.89 C1CCCC(CC1)CN TS01403 [0,1,0,0,0,0|2,0,1]=4 59 B9R1.89 C1CCCC(CC1)CO TS05384 [0,1,0,0,0,0|1,0,2]=4 60 B9R1.89 C1CCCC(CC1)NN TS11968 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.89 C1CCCN(CC1)N=O TS05357 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.89 C1CNCCN(C1)C=O TS02107 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.89 CC=C1CCCCCC1 TS05056 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.89 COC1=NCCCCC1 TS36236 [0,1,0,0,0,0|0,0,2]=3 65 B9R1.148 CC1(CCCCCC1)O TS05376 [0,1,0,0,0,0|1,0,2]=4 66 B7R0.1 C#CCCCCCO TS01237 [0,0,1,0,0,0|2,0,1]=4 67 B7R0.1 C(CCC#N)CCBr TS39357 [0,0,1,0,0,0|2,0,1]=4 68 B7R0.1 C(CCC#N)CCCl TS05684 [0,0,1,0,0,0|2,0,1]=4 69 B7R0.1 C(CCC#N)CCN TS04328 [0,0,1,0,0,0|1,0,1]=3 70 B7R0.1 C(CCC=O)CC=O TS29478 [0,0,1,0,0,0|1,0,1]=3 71 B7R0.1 C(CCCBr)CCBr TS07890 [0,0,1,0,0,0|2,0,1]=4 72 B7R0.1 C(CCCBr)CCCl TS00416 [0,0,1,0,0,0|2,0,1]=4 73 B7R0.1 C(CCCBr)CCO TS59727 [0,0,1,0,0,0|1,0,2]=4 74 B7R0.1 C(CCCCl)CCCl TS10546 [0,0,1,0,0,0|2,0,1]=4 75 B7R0.1 C(CCCCl)CCO TS06143 [0,0,1,0,0,0|1,0,2]=4 76 B7R0.1 C(CCCI)CCCl TS27509 [0,0,1,0,0,0|2,0,1]=4 77 B7R0.1 C(CCCN)CCN TS04632 [0,0,1,0,0,0|1,0,1]=3 78 B7R0.1 C(CCCN)CCN TS41228 [0,0,1,0,0,0|1,0,1]=3 79 B7R0.1 C(CCCN)CCN TS41960 [0,0,1,0,0,0|1,0,1]=3 80 B7R0.1 C(CCCN)CCN TS42181 [0,0,1,0,0,0|1,0,1]=3 81 B7R0.1 C(CCCO)CCN TS39356 [0,0,1,0,0,0|0,0,2]=3 82 B7R0.1 C(CCCO)CCO TS46825 [0,0,1,0,0,0|1,0,2]=4 83 B7R0.1 C(CCCS)CCO TS36872 [0,0,1,0,0,0|1,0,2]=4 84 B7R0.1 C(CCCS)CCS TS40940 [0,0,1,0,0,0|1,1,1]=4 85 B7R0.1 C(CCC[Zn+])CCCl TS68903 [0,0,1,0,0,0|2,0,1]=4 86 B7R0.1 C(CN)CNCCBr TS56331 [0,0,1,0,0,0|2,0,1]=4 87 B7R0.1 C(CN)CNCCN TS32302 [0,0,1,0,0,0|2,0,1]=4 88 B7R0.1 C(CN)CNCCO TS56334 [0,0,1,0,0,0|1,0,2]=4 89 B7R0.1 C(CNCCN)C#N TS32023 [0,0,1,0,0,0|2,0,1]=4 90 B7R0.1 C(CNCCN)CO TS32350 [0,0,1,0,0,0|1,0,2]=4 91 B7R0.1 C=CCCCCC#N TS31810 [0,0,1,0,0,0|1,0,2]=4 92 B7R0.1 C=CCCCCC=C TS04214 [0,0,1,0,0,0|2,0,1]=4 93 B7R0.1 C=CCCCCCBr TS59625 [0,0,1,0,0,0|2,0,0]=3 94 B7R0.1 C=CCCCCCCl TS36738 [0,0,1,0,0,0|2,0,0]=3 95 B7R0.1 C=CCCCCCO TS04461 [0,0,1,0,0,0|2,0,0]=3 96 B7R0.1 C=CCOCCCO TS04587 [0,0,1,0,0,0|3,0,0]=4 97 B7R0.1 C=COCCCCO TS32203 [0,0,1,0,0,0|3,0,0]=4 98 B7R0.1 CCC=CCCC=O TS04313 [0,0,1,0,0,0|1,0,2]=4 99 B7R0.1 CCCCC#CC=C TS31785 [0,0,1,0,0,0|2,0,1]=4 100 B7R0.1 CCCCC=CC=C TS31850 [0,0,1,0,0,0|2,0,1]=4 101 B7R0.1 CCCCC=CC=O TS04311 [0,0,1,0,0,0|1,0,1]=3 102 B7R0.1 CCCCCC#CC TS31856 [0,0,1,0,0,0|2,0,1]=4 103 B7R0.1 CCCCCC=CC TS31964 [0,0,1,0,0,0|2,0,0]=3 104 B7R0.1 CCCCCCC#C TS31852 [0,0,1,0,0,0|2,0,1]=4 105 B7R0.1 CCCCCCC#N TS31893 [0,0,1,0,0,0|2,0,1]=4 106 B7R0.1 CCCCCCC=O TS32096 [0,0,1,0,0,0|1,0,0]=2 107 B7R0.1 CCCCCCCBr TS00035 [0,0,1,0,0,0|2,0,1]=4 108 B7R0.1 CCCCCCCCl TS36887 [0,0,1,0,0,0|2,0,1]=4 109 B7R0.1 CCCCCCCF TS32353 [0,0,1,0,0,0|2,0,1]=4 110 B7R0.1 CCCCCCCI TS52275 [0,0,1,0,0,0|2,0,1]=4 111 B7R0.1 CCCCCCCN TS04552 [0,0,1,0,0,0|1,0,1]=3 112 B7R0.1 CCCCCCCO TS32232 [0,0,1,0,0,0|1,0,2]=4 113 B7R0.1 CCCCCCCS TS05788 [0,0,1,0,0,0|1,1,1]=4 114 B7R0.1 CCCCCCNC TS04559 [0,0,1,0,0,0|3,0,0]=4 115 B7R0.1 CCCCCCOC TS32254 [0,0,1,0,0,0|3,0,0]=4 116 B7R0.1 CCCCCCSC TS05792 [0,0,1,0,0,0|3,0,0]=4 117 B7R0.1 CCCCCN=C=O TS04390 [0,0,1,0,0,0|0,0,2]=3 118 B7R0.1 CCCCCN=C=S TS36444 [0,0,1,0,0,0|0,1,2]=4 119 B7R0.1 CCCCCNCC TS04550 [0,0,1,0,0,0|1,0,1]=3 120 B7R0.1 CCCCCOCC TS32236 [0,0,1,0,0,0|2,0,1]=4 121 B7R0.1 CCCCCON=O TS04662 [0,0,1,0,0,0|2,0,0]=3 122 B7R0.1 CCCCCSCC TS36717 [0,0,1,0,0,0|2,0,1]=4 123 B7R0.1 CCCCNCCN TS04633 [0,0,1,0,0,0|2,0,1]=4 124 B7R0.1 CCCCOCC=C TS32094 [0,0,1,0,0,0|3,0,0]=4 125 B7R0.1 CCCNCCCN TS32259 [0,0,1,0,0,0|2,0,1]=4 126 B7R0.1 CCCNCCN=O TS04604 [0,0,1,0,0,0|3,0,0]=4 127 B7R0.1 CCCOCCCN TS32295 [0,0,1,0,0,0|2,0,1]=4 128 B7R0.1 CCNCCCCN TS36623 [0,0,1,0,0,0|2,0,1]=4 129 B7R0.1 CCNCCCCO TS32294 [0,0,1,0,0,0|2,0,1]=4 130 B7R0.1 CCNCCNCC TS32258 [0,0,1,0,0,0|2,0,1]=4 131 B7R0.1 CNCCCCC=C TS93899 [0,0,1,0,0,0|3,0,0]=4 132 B7R0.1 CNCCNCCN TS32303 [0,0,1,0,0,0|3,0,0]=4 133 B7R0.3 C#CCNC(=O)CCl TS05681 [0,0,1,0,0,0|1,0,2]=4 134 B7R0.3 C(CC(=O)NN)CO TS32340 [0,0,1,0,0,0|2,0,0]=3 135 B7R0.3 C=CC(=O)NCCN TS94605 [0,0,1,0,0,0|1,0,2]=4 136 B7R0.3 CCC#CC(=O)OC TS31922 [0,0,1,0,0,0|1,0,2]=4 137 B7R0.3 CCC(=O)NCCO TS32284 [0,0,1,0,0,0|1,0,0]=2 138 B7R0.3 CCC(=O)OCC#C TS31921 [0,0,1,0,0,0|1,0,2]=4 139 B7R0.3 CCC(=O)OCC=C TS04450 [0,0,1,0,0,0|1,0,2]=4 140 B7R0.3 CCC=CC(=O)OC TS56262 [0,0,1,0,0,0|1,0,2]=4 141 B7R0.3 CCCCC(=C)CC TS04366 [0,0,1,0,0,0|2,0,0]=3 142 B7R0.3 CCCCC(=CC)C TS04336 [0,0,1,0,0,0|2,0,0]=3 143 B7R0.3 CCCCC(=NO)C TS04540 [0,0,1,0,0,0|2,0,1]=4 144 B7R0.3 CCCCC(=O)CC TS04462 [0,0,1,0,0,0|1,0,0]=2 145 B7R0.3 CCCCC(=O)NC TS32169 [0,0,1,0,0,0|0,0,0]=1 146 B7R0.3 CCCCC(=O)NN TS04606 [0,0,1,0,0,0|1,0,0]=2 147 B7R0.3 CCCCC(=O)OC TS32226 [0,0,1,0,0,0|1,0,0]=2 148 B7R0.3 CCCCC(C)CC TS32121 [0,0,1,0,0,0|2,0,1]=4 149 B7R0.3 CCCCC(CC)Br TS14340 [0,0,1,0,0,0|2,0,1]=4 150 B7R0.3 CCCCC(CC)N TS04554 [0,0,1,0,0,0|2,0,1]=4 151 B7R0.3 CCCCC(CC)O TS04628 [0,0,1,0,0,0|1,0,2]=4 152 B7R0.3 CCCNC(C)CC TS04555 [0,0,1,0,0,0|1,0,1]=3 153 B7R0.3 CCCOC(=O)C=C TS04429 [0,0,1,0,0,0|1,0,2]=4 154 B7R0.3 CCCOC(=O)CCl TS06137 [0,0,1,0,0,0|2,0,0]=3 155 B7R0.3 CCCOC(=O)CN TS41315 [0,0,1,0,0,0|2,0,0]=3 156 B7R0.3 CCCOC(=O)OC TS32321 [0,0,1,0,0,0|2,0,0]=3 157 B7R0.3 CCCSC(=O)CC TS05773 [0,0,1,0,0,0|1,0,0]=2 158 B7R0.3 COC(=O)CCC#N TS02730 [0,0,1,0,0,0|2,0,1]=4 159 B7R0.3 COC(=O)CCC=O TS02246 [0,0,1,0,0,0|2,0,1]=4 160 B7R0.3 COC(=O)CCCBr TS09599 [0,0,1,0,0,0|2,0,0]=3 161 B7R0.3 COC(=O)CCCCl TS06131 [0,0,1,0,0,0|2,0,0]=3 162 B7R0.3 COC(=O)CCCI TS52575 [0,0,1,0,0,0|2,0,0]=3 163 B7R0.3 COC(=O)CCCN TS41316 [0,0,1,0,0,0|2,0,0]=3 164 B7R0.3 COC(=O)CCSC TS05919 [0,0,1,0,0,0|2,0,0]=3 165 B7R0.3 COCCC(=O)NN TS32330 [0,0,1,0,0,0|2,0,0]=3 166 B7R0.3 COCCC(=O)OC TS32322 [0,0,1,0,0,0|2,0,0]=3 167 B7R0.4 B(CCCCC)(O)O TS01615 [0,0,1,0,0,0|2,0,1]=4 168 B7R0.4 C(CC(=O)O)CON TS18930 [0,0,1,0,0,0|3,0,0]=4 169 B7R0.4 C(CCBr)CC(=N)N TS47673 [0,0,1,0,0,0|2,0,0]=3 170 B7R0.4 C(CCBr)CC(=O)Cl TS71477 [0,0,1,0,0,0|2,0,0]=3 171 B7R0.4 C(CCBr)CC(=O)O TS14721 [0,0,1,0,0,0|2,0,0]=3 172 B7R0.4 C(CCCl)CC(=O)Cl TS10542 [0,0,1,0,0,0|2,0,0]=3 173 B7R0.4 C(CCCl)CC(=O)O TS06138 [0,0,1,0,0,0|2,0,0]=3 174 B7R0.4 C(CCN)CC(=O)O TS04661 [0,0,1,0,0,0|2,0,0]=3 175 B7R0.4 C(CCN)CC(=O)O TS41314 [0,0,1,0,0,0|2,0,0]=3 176 B7R0.4 C(CCl)OCC(=O)O TS37248 [0,0,1,0,0,0|3,0,0]=4 177 B7R0.4 C(CNCC(=O)O)N TS32336 [0,0,1,0,0,0|3,0,0]=4 178 B7R0.4 C(COC(=O)Cl)CCl TS93963 [0,0,1,0,0,0|3,0,0]=4 179 B7R0.4 C(COCC(=O)N)O TS32389 [0,0,1,0,0,0|2,0,0]=3 180 B7R0.4 C=CCCCC(=O)O TS04449 [0,0,1,0,0,0|1,0,2]=4 181 B7R0.4 CC#CCOC(=O)C TS31919 [0,0,1,0,0,0|1,0,2]=4 182 B7R0.4 CC(=O)CCCC#N TS04252 [0,0,1,0,0,0|2,0,1]=4 183 B7R0.4 CC(=O)CCCCBr TS47671 [0,0,1,0,0,0|2,0,0]=3 184 B7R0.4 CC(=O)CCCCCl TS05947 [0,0,1,0,0,0|2,0,0]=3 185 B7R0.4 CC(=O)OCCC#C TS31899 [0,0,1,0,0,0|1,0,2]=4 186 B7R0.4 CC(=O)OCCC=C TS04442 [0,0,1,0,0,0|1,0,2]=4 187 B7R0.4 CC(=O)OCCCCl TS06130 [0,0,1,0,0,0|2,0,0]=3 188 B7R0.4 CC(=O)OCCOC TS32328 [0,0,1,0,0,0|2,0,0]=3 189 B7R0.4 CC(C)NCCCN TS04629 [0,0,1,0,0,0|2,0,1]=4 190 B7R0.4 CC(C)NCCOC TS32291 [0,0,1,0,0,0|2,0,1]=4 191 B7R0.4 CCC=CCC(=O)O TS04425 [0,0,1,0,0,0|1,0,2]=4 192 B7R0.4 CCCC#CC(=C)C TS04147 [0,0,1,0,0,0|2,0,1]=4 193 B7R0.4 CCCC#CC(=O)C TS31834 [0,0,1,0,0,0|1,0,1]=3 194 B7R0.4 CCCC#CC(=O)O TS31912 [0,0,1,0,0,0|1,0,2]=4 195 B7R0.4 CCCC=CC(=O)C TS31936 [0,0,1,0,0,0|1,0,1]=3 196 B7R0.4 CCCC=CC(=O)O TS59547 [0,0,1,0,0,0|1,0,2]=4 197 B7R0.4 CCCCC=C(C)C TS04347 [0,0,1,0,0,0|2,0,0]=3 198 B7R0.4 CCCCCC(=C)C TS04340 [0,0,1,0,0,0|2,0,0]=3 199 B7R0.4 CCCCCC(=O)C TS32098 [0,0,1,0,0,0|1,0,0]=2 200 B7R0.4 CCCCCC(=O)Cl TS05948 [0,0,1,0,0,0|1,0,0]=2 201 B7R0.4 CCCCCC(=O)N TS32152 [0,0,1,0,0,0|0,0,0]=1 202 B7R0.4 CCCCCC(=O)O TS32204 [0,0,1,0,0,0|1,0,0]=2 203 B7R0.4 CCCCCC(=O)[O-] TS37174 [0,0,1,0,0,0|1,0,0]=2 204 B7R0.4 CCCCCC(=O)[O-] TS58596 [0,0,1,0,0,0|1,0,0]=2 205 B7R0.4 CCCCCC(C)Br TS14342 [0,0,1,0,0,0|2,0,1]=4 206 B7R0.4 CCCCCC(C)C TS32120 [0,0,1,0,0,0|2,0,1]=4 207 B7R0.4 CCCCCC(C)Cl TS05959 [0,0,1,0,0,0|2,0,1]=4 208 B7R0.4 CCCCCC(C)N TS04560 [0,0,1,0,0,0|1,0,1]=3 209 B7R0.4 CCCCCC(C)O TS32255 [0,0,1,0,0,0|1,0,2]=4 210 B7R0.4 CCCCC[C@@H](C)N TS04556 [0,0,1,0,0,0|1,0,1]=3 211 B7R0.4 CCCCC[C@@H](C)O TS04622 [0,0,1,0,0,0|1,0,2]=4 212 B7R0.4 CCCCC[C@H](C)N TS04553 [0,0,1,0,0,0|1,0,1]=3 213 B7R0.4 CCCCC[C@H](C)O TS32248 [0,0,1,0,0,0|1,0,2]=4 214 B7R0.4 CCCCC[N+](=O)[O-] TS04659 [0,0,1,0,0,0|2,0,0]=3 215 B7R0.4 CCCCNC(=O)C TS32171 [0,0,1,0,0,0|0,0,0]=1 216 B7R0.4 CCCCNC(=O)N TS04607 [0,0,1,0,0,0|1,0,0]=2 217 B7R0.4 CCCCNC(=S)N TS05781 [0,0,1,0,0,0|1,1,0]=3 218 B7R0.4 CCCCOC(=O)C TS32218 [0,0,1,0,0,0|1,0,0]=2 219 B7R0.4 CCCCOC(=O)Cl TS16538 [0,0,1,0,0,0|2,0,0]=3 220 B7R0.4 CCCCOC(=O)N TS04660 [0,0,1,0,0,0|1,0,0]=2 221 B7R0.4 CCCCOC(=S)C TS05777 [0,0,1,0,0,0|1,1,0]=3 222 B7R0.4 CCCCON(=O)=O TS32384 [0,0,1,0,0,0|3,0,0]=4 223 B7R0.4 CCCCSC(C)C TS05791 [0,0,1,0,0,0|2,0,1]=4 224 B7R0.4 CCCNCC(=O)O TS04670 [0,0,1,0,0,0|2,0,0]=3 225 B7R0.4 CCCOCC(=O)O TS32314 [0,0,1,0,0,0|2,0,0]=3 226 B7R0.4 CCCSCC(=O)O TS05921 [0,0,1,0,0,0|2,0,0]=3 227 B7R0.4 CCOCCC(=O)C TS04589 [0,0,1,0,0,0|2,0,0]=3 228 B7R0.4 CCOCCC(=O)O TS32325 [0,0,1,0,0,0|2,0,0]=3 229 B7R0.4 CNCCCC(=O)O TS41308 [0,0,1,0,0,0|2,0,0]=3 230 B7R0.4 COCCNC(=S)N TS05925 [0,0,1,0,0,0|2,1,0]=4 231 B7R0.4 COCCOC(=O)Cl TS37247 [0,0,1,0,0,0|3,0,0]=4 232 B7R0.7 C(CCl)C(=O)CCCl TS46816 [0,0,1,0,0,0|3,0,0]=4 233 B7R0.7 C(CO)C(=O)CCO TS04717 [0,0,1,0,0,0|3,0,0]=4 234 B7R0.7 C(NC(=O)NCO)O TS32411 [0,0,1,0,0,0|3,0,0]=4 235 B7R0.7 CCCC(=CCC)C TS31954 [0,0,1,0,0,0|2,0,0]=3 236 B7R0.7 CCCC(=O)CCC TS32100 [0,0,1,0,0,0|1,0,0]=2 237 B7R0.7 CCCC(=O)OC=C TS04453 [0,0,1,0,0,0|1,0,2]=4 238 B7R0.7 CCCC(=O)OCC TS32219 [0,0,1,0,0,0|1,0,0]=2 239 B7R0.7 CCCC(=O)OCCl TS55810 [0,0,1,0,0,0|2,0,0]=3 240 B7R0.7 CCCC(=S)OCC TS05779 [0,0,1,0,0,0|1,1,0]=3 241 B7R0.7 CCCC(=S)OCC TS07488 [0,0,1,0,0,0|1,1,0]=3 242 B7R0.7 CCCC(C)CCC TS04512 [0,0,1,0,0,0|2,0,1]=4 243 B7R0.7 CCCC(C)OCC TS32250 [0,0,1,0,0,0|2,0,1]=4 244 B7R0.7 CCCC(CCC)Br TS14339 [0,0,1,0,0,0|2,0,1]=4 245 B7R0.7 CCCC(CCC)Cl TS36889 [0,0,1,0,0,0|2,0,1]=4 246 B7R0.7 CCCC(CCC)N TS02992 [0,0,1,0,0,0|2,0,1]=4 247 B7R0.7 CCCC(CCC)O TS04625 [0,0,1,0,0,0|1,0,2]=4 248 B7R0.7 CCCC(CCC)[Zn+] TS62077 [0,0,1,0,0,0|2,0,1]=4 249 B7R0.7 CCCN(C)CCC TS04549 [0,0,1,0,0,0|3,0,0]=4 250 B7R0.7 CCCS(=O)CCC TS36875 [0,0,1,0,0,0|2,0,0]=3 251 B7R0.7 CCNC(=O)NCC TS04609 [0,0,1,0,0,0|1,0,0]=2 252 B7R0.7 CCNC(=O)OCC TS04671 [0,0,1,0,0,0|1,0,0]=2 253 B7R0.7 CCNC(=S)NCC TS05780 [0,0,1,0,0,0|1,1,0]=3 254 B7R0.7 CCOC(=C)OCC TS56207 [0,0,1,0,0,0|3,0,0]=4 255 B7R0.7 CCOC(=O)C#CC TS08727 [0,0,1,0,0,0|1,0,2]=4 256 B7R0.7 CCOC(=O)C=CC TS04436 [0,0,1,0,0,0|1,0,2]=4 257 B7R0.7 CCOC(=O)CC#C TS31911 [0,0,1,0,0,0|1,0,2]=4 258 B7R0.7 CCOC(=O)CC#N TS32007 [0,0,1,0,0,0|2,0,1]=4 259 B7R0.7 CCOC(=O)CC=C TS04444 [0,0,1,0,0,0|1,0,2]=4 260 B7R0.7 CCOC(=O)CCBr TS08511 [0,0,1,0,0,0|2,0,0]=3 261 B7R0.7 CCOC(=O)CCCl TS66003 [0,0,1,0,0,0|2,0,0]=3 262 B7R0.7 CCOC(=O)CCI TS56139 [0,0,1,0,0,0|2,0,0]=3 263 B7R0.7 CCOC(=O)CCN TS01886 [0,0,1,0,0,0|2,0,0]=3 264 B7R0.7 CCOC(=O)CCN TS04667 [0,0,1,0,0,0|2,0,0]=3 265 B7R0.7 CCOC(=O)CCS TS05923 [0,0,1,0,0,0|2,0,0]=3 266 B7R0.7 CCOC(=O)CC[Zn+] TS62340 [0,0,1,0,0,0|2,0,0]=3 267 B7R0.7 CCOC(=O)CNC TS01479 [0,0,1,0,0,0|2,0,0]=3 268 B7R0.7 CCOC(=O)CNN TS56149 [0,0,1,0,0,0|3,0,0]=4 269 B7R0.7 CCOC(=O)COC TS32327 [0,0,1,0,0,0|2,0,0]=3 270 B7R0.7 CCOC(=O)CSC TS05917 [0,0,1,0,0,0|2,0,0]=3 271 B7R0.7 CCOC(=O)C[N+]#[C-] TS01459 [0,0,1,0,0,0|2,0,1]=4 272 B7R0.7 CCOC(=O)NOC TS32378 [0,0,1,0,0,0|2,0,0]=3 273 B7R0.7 CCOC(=O)OCC TS32315 [0,0,1,0,0,0|2,0,0]=3 274 B7R0.7 CCOC(=O)OCCl TS37245 [0,0,1,0,0,0|3,0,0]=4 275 B7R0.7 CCOS(=O)OCC TS06288 [0,0,1,0,0,0|3,0,0]=4 276 B7R0.7 CCSC(=O)SCC TS40933 [0,0,1,0,0,0|2,0,0]=3 277 B9R2.52 C1CCC2C(O2)CC1 TS31946 [0,0,0,1,0,0|1,0,2]=4 278 B9R2.68 C1CC2CCC(C1)N2 TS86792 [0,0,0,1,0,0|2,0,1]=4 279 B9R2.68 C1CN2CCNC1C2 TS92204 [0,0,0,1,0,0|2,0,1]=4 280 B9R2.68 C1CN2CCN[C@@H]1C2 TS91456 [0,0,0,1,0,0|2,0,1]=4 281 B9R2.68 C1CN2CCN[C@H]1C2 TS91976 [0,0,0,1,0,0|2,0,1]=4 282 B9R2.109 C1CC2C(O2)C(=O)C1 TS31907 [0,0,0,1,0,0|2,0,0]=3 283 B7R1.3 B=[O+2]1CCSCC1 TS32312 [0,0,0,0,1,0|3,0,0]=4 284 B7R1.3 C1CC(=O)CNC1 TS02886 [0,0,0,0,1,0|1,0,0]=2 285 B7R1.3 C1CC(=O)CNC1 TS59353 [0,0,0,0,1,0|1,0,0]=2 286 B7R1.3 C1CC(=O)COC1 TS22954 [0,0,0,0,1,0|1,0,0]=2 287 B7R1.3 C1CC(=O)COC1 TS89862 [0,0,0,0,1,0|1,0,0]=2 288 B7R1.3 C1CC(=O)CSC1 TS90226 [0,0,0,0,1,0|1,0,0]=2 289 B7R1.3 C1CC(CNC1)Br TS09491 [0,0,0,0,1,0|2,0,1]=4 290 B7R1.3 C1CC(CNC1)Br TS42661 [0,0,0,0,1,0|2,0,1]=4 291 B7R1.3 C1CC(CNC1)Cl TS41570 [0,0,0,0,1,0|2,0,1]=4 292 B7R1.3 C1CC(CNC1)F TS37316 [0,0,0,0,1,0|2,0,1]=4 293 B7R1.3 C1CC(CNC1)N TS02666 [0,0,0,0,1,0|2,0,1]=4 294 B7R1.3 C1CC(CNC1)O TS02796 [0,0,0,0,1,0|1,0,2]=4 295 B7R1.3 C1CC(CNC1)O TS16254 [0,0,0,0,1,0|1,0,2]=4 296 B7R1.3 C1CC(CNC1)O TS28091 [0,0,0,0,1,0|1,0,2]=4 297 B7R1.3 C1CC(CNC1)S TS91720 [0,0,0,0,1,0|1,1,1]=4 298 B7R1.3 C1CC(COC1)Br TS42847 [0,0,0,0,1,0|2,0,1]=4 299 B7R1.3 C1CC(COC1)I TS44102 [0,0,0,0,1,0|2,0,1]=4 300 B7R1.3 C1CC(COC1)N TS39962 [0,0,0,0,1,0|2,0,1]=4 301 B7R1.3 C1CC(COC1)N TS90719 [0,0,0,0,1,0|2,0,1]=4 302 B7R1.3 C1CC(COC1)O TS59831 [0,0,0,0,1,0|1,0,2]=4 303 B7R1.3 C1CC=CC(=O)C1 TS39840 [0,0,0,0,1,0|0,0,2]=3 304 B7R1.3 C1CCC(=CC1)Cl TS04654 [0,0,0,0,1,0|1,0,1]=3 305 B7R1.3 C1CCC(=O)CC1 TS31441 [0,0,0,0,1,0|0,0,0]=1 306 B7R1.3 C1CCC(CC1)Br TS33231 [0,0,0,0,1,0|1,0,1]=3 307 B7R1.3 C1CCC(CC1)Cl TS39830 [0,0,0,0,1,0|1,0,1]=3 308 B7R1.3 C1CCC(CC1)F TS31606 [0,0,0,0,1,0|1,0,1]=3 309 B7R1.3 C1CCC(CC1)I TS43723 [0,0,0,0,1,0|1,0,1]=3 310 B7R1.3 C1CCC(CC1)N TS03833 [0,0,0,0,1,0|1,0,1]=3 311 B7R1.3 C1CCC(CC1)N TS06026 [0,0,0,0,1,0|1,0,1]=3 312 B7R1.3 C1CCC(CC1)N TS14508 [0,0,0,0,1,0|1,0,1]=3 313 B7R1.3 C1CCC(CC1)N TS18426 [0,0,0,0,1,0|1,0,1]=3 314 B7R1.3 C1CCC(CC1)O TS31506 [0,0,0,0,1,0|0,0,2]=3 315 B7R1.3 C1CCC(CC1)P TS04576 [0,0,0,0,1,0|1,0,1]=3 316 B7R1.3 C1CCC(CC1)[NH3+] TS60878 [0,0,0,0,1,0|1,0,1]=3 317 B7R1.3 C1CCC(CC1)[Zn+] TS24609 [0,0,0,0,1,0|1,0,1]=3 318 B7R1.3 C1CCN(CC1)N TS03873 [0,0,0,0,1,0|2,0,0]=3 319 B7R1.3 C1CCN(CC1)N TS06144 [0,0,0,0,1,0|2,0,0]=3 320 B7R1.3 C1CCN(CC1)O TS31559 [0,0,0,0,1,0|1,0,1]=3 321 B7R1.3 C1CCNC(=N)C1 TS05957 [0,0,0,0,1,0|1,0,0]=2 322 B7R1.3 C1CCNC(=O)C1 TS01420 [0,0,0,0,1,0|0,0,0]=1 323 B7R1.3 C1CCNC(C1)Br TS42662 [0,0,0,0,1,0|1,0,1]=3 324 B7R1.3 C1CCNC(C1)Cl TS04802 [0,0,0,0,1,0|1,0,1]=3 325 B7R1.3 C1CCNC(C1)N TS03877 [0,0,0,0,1,0|1,0,1]=3 326 B7R1.3 C1CCNC(C1)O TS03900 [0,0,0,0,1,0|0,0,2]=3 327 B7R1.3 C1CCOC(=O)C1 TS01892 [0,0,0,0,1,0|1,0,0]=2 328 B7R1.3 C1CCOC(C1)O TS31590 [0,0,0,0,1,0|1,0,2]=4 329 B7R1.3 C1CN(CCN1)N TS03908 [0,0,0,0,1,0|3,0,0]=4 330 B7R1.3 C1CNC(=NC1)S TS04615 [0,0,0,0,1,0|1,1,0]=3 331 B7R1.3 C1CNC(=O)CN1 TS59349 [0,0,0,0,1,0|1,0,0]=2 332 B7R1.3 C1CNC(=O)NC1 TS59429 [0,0,0,0,1,0|1,0,0]=2 333 B7R1.3 C1CNCCC1=O TS02248 [0,0,0,0,1,0|1,0,0]=2 334 B7R1.3 C1CNCCC1=O TS71284 [0,0,0,0,1,0|1,0,0]=2 335 B7R1.3 C1CNCCC1Br TS71009 [0,0,0,0,1,0|2,0,1]=4 336 B7R1.3 C1CNCCC1Cl TS09688 [0,0,0,0,1,0|2,0,1]=4 337 B7R1.3 C1CNCCC1F TS03995 [0,0,0,0,1,0|2,0,1]=4 338 B7R1.3 C1CNCCC1F TS09127 [0,0,0,0,1,0|2,0,1]=4 339 B7R1.3 C1CNCCC1N TS08873 [0,0,0,0,1,0|2,0,1]=4 340 B7R1.3 C1CNCCC1N TS70915 [0,0,0,0,1,0|2,0,1]=4 341 B7R1.3 C1CNCCC1O TS37141 [0,0,0,0,1,0|1,0,2]=4 342 B7R1.3 C1CNCCC1O TS71282 [0,0,0,0,1,0|1,0,2]=4 343 B7R1.3 C1CNCCC1S TS89665 [0,0,0,0,1,0|1,1,1]=4 344 B7R1.3 C1COC(=O)C=C1 TS03767 [0,0,0,0,1,0|1,0,2]=4 345 B7R1.3 C1COC(=O)CO1 TS31576 [0,0,0,0,1,0|2,0,0]=3 346 B7R1.3 C1COC(=O)OC1 TS31584 [0,0,0,0,1,0|2,0,0]=3 347 B7R1.3 C1COCC(=O)N1 TS01573 [0,0,0,0,1,0|1,0,0]=2 348 B7R1.3 C1COCCC1=O TS59431 [0,0,0,0,1,0|1,0,0]=2 349 B7R1.3 C1COCCC1Br TS09616 [0,0,0,0,1,0|2,0,1]=4 350 B7R1.3 C1COCCC1Cl TS32447 [0,0,0,0,1,0|2,0,1]=4 351 B7R1.3 C1COCCC1I TS09723 [0,0,0,0,1,0|2,0,1]=4 352 B7R1.3 C1COCCC1N TS11397 [0,0,0,0,1,0|2,0,1]=4 353 B7R1.3 C1COCCC1N TS70925 [0,0,0,0,1,0|2,0,1]=4 354 B7R1.3 C1COCCC1N TS70926 [0,0,0,0,1,0|2,0,1]=4 355 B7R1.3 C1COCCC1O TS59433 [0,0,0,0,1,0|1,0,2]=4 356 B7R1.3 C1COCCC1O TS85905 [0,0,0,0,1,0|1,0,2]=4 357 B7R1.3 C1COCCN1N TS31603 [0,0,0,0,1,0|3,0,0]=4 358 B7R1.3 C1COCCN1N TS37255 [0,0,0,0,1,0|3,0,0]=4 359 B7R1.3 C1COS(=O)OC1 TS85276 [0,0,0,0,1,0|3,0,0]=4 360 B7R1.3 C1CSCCC1=O TS59432 [0,0,0,0,1,0|1,0,0]=2 361 B7R1.3 C1CSCCC1N TS59442 [0,0,0,0,1,0|2,0,1]=4 362 B7R1.3 C1CSCCC1O TS59441 [0,0,0,0,1,0|1,0,2]=4 363 B7R1.3 C1C[C@@H](CNC1)F TS89045 [0,0,0,0,1,0|2,0,1]=4 364 B7R1.3 C1C[C@@H](CNC1)N TS03872 [0,0,0,0,1,0|2,0,1]=4 365 B7R1.3 C1C[C@@H](CNC1)O TS46664 [0,0,0,0,1,0|1,0,2]=4 366 B7R1.3 C1C[C@H](CNC1)F TS92720 [0,0,0,0,1,0|2,0,1]=4 367 B7R1.3 C1C[C@H](CNC1)N TS93699 [0,0,0,0,1,0|2,0,1]=4 368 B7R1.3 C1C[C@H](CNC1)O TS88232 [0,0,0,0,1,0|1,0,2]=4 369 B7R1.3 C1C[C@H](CNC1)O TS89282 [0,0,0,0,1,0|1,0,2]=4 370 B7R1.3 C1NCNC(=S)N1 TS04687 [0,0,0,0,1,0|2,1,0]=4 371 B7R1.3 CC1CCCCC1 TS02317 [0,0,0,0,1,0|1,0,1]=3 372 B7R1.3 CC1CCCCO1 TS31512 [0,0,0,0,1,0|2,0,1]=4 373 B7R1.3 CC1CCCNC1 TS70672 [0,0,0,0,1,0|2,0,1]=4 374 B7R1.3 CC1CCNCC1 TS03831 [0,0,0,0,1,0|2,0,1]=4 375 B7R1.3 CN1CCCCC1 TS03834 [0,0,0,0,1,0|2,0,0]=3 376 B7R1.3 CN1CCNCC1 TS00495 [0,0,0,0,1,0|3,0,0]=4 377 B7R1.3 CN1CCNCC1 TS45581 [0,0,0,0,1,0|3,0,0]=4 378 B7R1.3 CN1CCOCC1 TS37142 [0,0,0,0,1,0|3,0,0]=4 379 B7R1.3 CN1CCOCC1 TS39917 [0,0,0,0,1,0|3,0,0]=4 380 B7R1.3 C[C@@H]1CCCCN1 TS03835 [0,0,0,0,1,0|1,0,1]=3 381 B7R1.3 C[C@@H]1CNCCN1 TS08073 [0,0,0,0,1,0|2,0,1]=4 382 B7R1.3 C[C@@H]1COCCN1 TS01972 [0,0,0,0,1,0|2,0,1]=4 383 B7R1.3 C[C@H]1CNCCN1 TS06145 [0,0,0,0,1,0|2,0,1]=4 384 B7R1.3 C[C@H]1CNCCN1 TS22969 [0,0,0,0,1,0|2,0,1]=4 385 B7R1.3 C[C@H]1CNCCN1 TS45580 [0,0,0,0,1,0|2,0,1]=4 386 B7R1.3 C[C@H]1COCCN1 TS46666 [0,0,0,0,1,0|2,0,1]=4 387 B9R1.50 C1CCCC(CCC1)Br TS17235 [0,0,0,0,0,1|2,0,1]=4 388 B9R1.50 C1CCCNC(=O)CC1 TS05275 [0,0,0,0,0,1|0,0,0]=1 389 B9R1.50 CC1=CCCCCCC1 TS05043 [0,0,0,0,0,1|2,0,0]=3 390 B9R1.50 CC1CCCCCC=C1 TS05055 [0,0,0,0,0,1|2,0,1]=4 391 B9R1.50 CC1CCCCCCC1 TS05222 [0,0,0,0,0,1|2,0,1]=4 392 B6R0.6 C(CC=O)CC=O TS03842 [1,0,1,0,0,0|1,0,1]=4 393 B6R0.6 C(CC=O)CC=O TS38555 [1,0,1,0,0,0|1,0,1]=4 394 B6R0.6 C(CCBr)CCBr TS07888 [1,0,1,0,0,0|2,0,0]=4 395 B6R0.6 C(CCCl)CC=O TS32450 [1,0,1,0,0,0|1,0,0]=3 396 B6R0.6 C(CCCl)CCBr TS48788 [1,0,1,0,0,0|2,0,0]=4 397 B6R0.6 C(CCCl)CCCl TS06550 [1,0,1,0,0,0|2,0,0]=4 398 B6R0.6 C(CCCl)CCI TS53384 [1,0,1,0,0,0|2,0,0]=4 399 B6R0.6 C(CCCl)CC[Zn+] TS28126 [1,0,1,0,0,0|2,0,0]=4 400 B6R0.6 C(CCI)CCI TS77462 [1,0,1,0,0,0|2,0,0]=4 401 B6R0.6 C(CCN)CCN TS03978 [1,0,1,0,0,0|1,0,0]=3 402 B6R0.6 C(CCN)CCN TS45899 [1,0,1,0,0,0|1,0,0]=3 403 B6R0.6 C(CCN)CCO TS04006 [1,0,1,0,0,0|0,0,1]=3 404 B6R0.6 C(CCO)CC=O TS03340 [1,0,1,0,0,0|1,0,0]=3 405 B6R0.6 C(CCO)CCBr TS09812 [1,0,1,0,0,0|1,0,1]=4 406 B6R0.6 C(CCO)CCCl TS71520 [1,0,1,0,0,0|1,0,1]=4 407 B6R0.6 C(CCO)CCO TS46820 [1,0,1,0,0,0|1,0,1]=4 408 B6R0.6 C(CCS)CCS TS37065 [1,0,1,0,0,0|1,1,0]=4 409 B6R0.6 C(CNCCN)N TS04014 [1,0,1,0,0,0|2,0,0]=4 410 B6R0.6 C(CNCCO)N TS00063 [1,0,1,0,0,0|1,0,1]=4 411 B6R0.6 C(COCC=O)O TS31664 [1,0,1,0,0,0|2,0,0]=4 412 B6R0.6 C(COCCN)N TS04047 [1,0,1,0,0,0|2,0,0]=4 413 B6R0.6 C(COCCN)N TS47125 [1,0,1,0,0,0|2,0,0]=4 414 B6R0.6 C(COCCO)N TS04075 [1,0,1,0,0,0|1,0,1]=4 415 B6R0.6 C(CSCCN)N TS32436 [1,0,1,0,0,0|2,0,0]=4 416 B6R0.6 C(CSCCO)N TS04873 [1,0,1,0,0,0|1,0,1]=4 417 B6R0.6 C=CCCCCBr TS33003 [1,0,1,0,0,0|1,0,1]=4 418 B6R0.6 C=CCCCCCl TS04773 [1,0,1,0,0,0|1,0,1]=4 419 B6R0.6 C=CCCCCN TS03830 [1,0,1,0,0,0|0,0,1]=3 420 B6R0.6 C=CCCCCO TS71562 [1,0,1,0,0,0|1,0,1]=4 421 B6R0.6 CC=CCCCO TS31509 [1,0,1,0,0,0|2,0,0]=4 422 B6R0.6 CC=CCCCO TS31521 [1,0,1,0,0,0|2,0,0]=4 423 B6R0.6 CCC=CCC=O TS31443 [1,0,1,0,0,0|0,0,2]=4 424 B6R0.6 CCC=CCCO TS31511 [1,0,1,0,0,0|2,0,0]=4 425 B6R0.6 CCC=CCCO TS31515 [1,0,1,0,0,0|2,0,0]=4 426 B6R0.6 CCCC#CCC TS03730 [1,0,1,0,0,0|1,0,1]=4 427 B6R0.6 CCCC=CC=O TS31421 [1,0,1,0,0,0|0,0,2]=4 428 B6R0.6 CCCC=CC=O TS31438 [1,0,1,0,0,0|0,0,2]=4 429 B6R0.6 CCCC=CC=O TS31444 [1,0,1,0,0,0|0,0,2]=4 430 B6R0.6 CCCC=CCO TS03865 [1,0,1,0,0,0|2,0,0]=4 431 B6R0.6 CCCCC#CC TS03724 [1,0,1,0,0,0|1,0,1]=4 432 B6R0.6 CCCCC=CBr TS11653 [1,0,1,0,0,0|1,0,1]=4 433 B6R0.6 CCCCC=CC TS03803 [1,0,1,0,0,0|1,0,0]=3 434 B6R0.6 CCCCCC#C TS03726 [1,0,1,0,0,0|1,0,1]=4 435 B6R0.6 CCCCCC#N TS31405 [1,0,1,0,0,0|0,0,2]=4 436 B6R0.6 CCCCCC=C TS31453 [1,0,1,0,0,0|1,0,0]=3 437 B6R0.6 CCCCCC=O TS39877 [1,0,1,0,0,0|0,0,0]=2 438 B6R0.6 CCCCCCBr TS00036 [1,0,1,0,0,0|1,0,1]=4 439 B6R0.6 CCCCCCC TS03885 [1,0,1,0,0,0|1,0,1]=4 440 B6R0.6 CCCCCCCl TS04842 [1,0,1,0,0,0|1,0,1]=4 441 B6R0.6 CCCCCCF TS31676 [1,0,1,0,0,0|1,0,1]=4 442 B6R0.6 CCCCCCI TS93973 [1,0,1,0,0,0|1,0,1]=4 443 B6R0.6 CCCCCCN TS31561 [1,0,1,0,0,0|0,0,1]=3 444 B6R0.6 CCCCCCN TS37145 [1,0,1,0,0,0|0,0,1]=3 445 B6R0.6 CCCCCCO TS39881 [1,0,1,0,0,0|0,0,2]=4 446 B6R0.6 CCCCCCS TS04753 [1,0,1,0,0,0|0,1,1]=4 447 B6R0.6 CCCCCC[SiH3] TS04643 [1,0,1,0,0,0|1,0,1]=4 448 B6R0.6 CCCCCC[Zn+] TS24970 [1,0,1,0,0,0|1,0,1]=4 449 B6R0.6 CCCCCNC TS03916 [1,0,1,0,0,0|0,0,1]=3 450 B6R0.6 CCCCCNN TS06331 [1,0,1,0,0,0|1,0,0]=3 451 B6R0.6 CCCCCSC TS04750 [1,0,1,0,0,0|1,0,1]=4 452 B6R0.6 CCCCC[Mg]Cl TS36578 [1,0,1,0,0,0|2,0,0]=4 453 B6R0.6 CCCCN=C=O TS93082 [1,0,1,0,0,0|0,0,2]=4 454 B6R0.6 CCCCNC=O TS03902 [1,0,1,0,0,0|0,0,0]=2 455 B6R0.6 CCCCNCC TS03925 [1,0,1,0,0,0|0,0,1]=3 456 B6R0.6 CCCCOC=C TS33237 [1,0,1,0,0,0|1,0,1]=4 457 B6R0.6 CCCCOC=O TS03954 [1,0,1,0,0,0|1,0,0]=3 458 B6R0.6 CCCCOCC TS03964 [1,0,1,0,0,0|1,0,1]=4 459 B6R0.6 CCCCON=O TS31645 [1,0,1,0,0,0|1,0,1]=4 460 B6R0.6 CCCCSCC TS04749 [1,0,1,0,0,0|1,0,1]=4 461 B6R0.6 CCCCS[SnH]=O TS23939 [1,0,1,0,0,0|2,0,0]=4 462 B6R0.6 CCCNCCC TS39857 [1,0,1,0,0,0|0,0,1]=3 463 B6R0.6 CCCNCCN TS03973 [1,0,1,0,0,0|1,0,1]=4 464 B6R0.6 CCCNCCO TS04001 [1,0,1,0,0,0|1,0,1]=4 465 B6R0.6 CCCOCCC TS03967 [1,0,1,0,0,0|1,0,1]=4 466 B6R0.6 CCCOCCC TS49356 [1,0,1,0,0,0|1,0,1]=4 467 B6R0.6 CCCOCCN TS04012 [1,0,1,0,0,0|1,0,1]=4 468 B6R0.6 CCCSC=CC TS04637 [1,0,1,0,0,0|1,0,1]=4 469 B6R0.6 CCCSCC=C TS04636 [1,0,1,0,0,0|2,0,0]=4 470 B6R0.6 CCCSCCC TS04756 [1,0,1,0,0,0|1,0,1]=4 471 B6R0.6 CCCSSCC TS37066 [1,0,1,0,0,0|2,0,0]=4 472 B6R0.6 CCC[Hg]CCC TS35002 [1,0,1,0,0,0|1,0,1]=4 473 B6R0.6 CCNCCCN TS03975 [1,0,1,0,0,0|1,0,1]=4 474 B6R0.6 CCNCCNC TS03972 [1,0,1,0,0,0|1,0,1]=4 475 B6R0.6 CCOCCCN TS04010 [1,0,1,0,0,0|1,0,1]=4 476 B6R0.6 CNCCCNC TS56351 [1,0,1,0,0,0|1,0,1]=4 477 B6R0.6 [Li]CCCCCC TS03654 [1,0,1,0,0,0|1,0,1]=4 478 B6R0.1 C(C(=O)NCO)Cl TS64943 [1,0,1,0,0,0|2,0,0]=4 479 B6R0.1 C(CN)C(=O)CN TS13627 [1,0,1,0,0,0|2,0,0]=4 480 B6R0.1 C(CO)C(=O)CN TS37313 [1,0,1,0,0,0|2,0,0]=4 481 B6R0.1 CCC(=O)C=CC TS31436 [1,0,1,0,0,0|0,0,2]=4 482 B6R0.1 CCC(=O)CC#N TS31393 [1,0,1,0,0,0|1,0,1]=4 483 B6R0.1 CCC(=O)CSC TS32357 [1,0,1,0,0,0|1,0,0]=3 484 B6R0.1 CCC(=O)NCC TS03904 [1,0,1,0,0,0|0,0,0]=2 485 B6R0.1 CCC(=O)OCC TS03938 [1,0,1,0,0,0|1,0,0]=3 486 B6R0.1 CCC(=O)SCC TS32362 [1,0,1,0,0,0|1,0,0]=3 487 B6R0.1 CCCC(=C)CC TS03794 [1,0,1,0,0,0|1,0,0]=3 488 B6R0.1 CCCC(=CC)C TS31455 [1,0,1,0,0,0|1,0,1]=4 489 B6R0.1 CCCC(=O)CC TS31522 [1,0,1,0,0,0|0,0,0]=2 490 B6R0.1 CCCC(=O)NN TS31598 [1,0,1,0,0,0|1,0,0]=3 491 B6R0.1 CCCC(=O)OC TS03955 [1,0,1,0,0,0|1,0,0]=3 492 B6R0.1 CCCC(=S)OC TS32358 [1,0,1,0,0,0|1,1,0]=4 493 B6R0.1 CCCC(C)CC TS03886 [1,0,1,0,0,0|1,0,1]=4 494 B6R0.1 CCCC(C)NC TS03920 [1,0,1,0,0,0|1,0,1]=4 495 B6R0.1 CCCC(CC)Br TS42856 [1,0,1,0,0,0|1,0,1]=4 496 B6R0.1 CCCC(CC)Cl TS04841 [1,0,1,0,0,0|1,0,1]=4 497 B6R0.1 CCCC(CC)I TS44109 [1,0,1,0,0,0|1,0,1]=4 498 B6R0.1 CCCC(CC)N TS31564 [1,0,1,0,0,0|1,0,1]=4 499 B6R0.1 CCCC(CC)O TS31611 [1,0,1,0,0,0|0,0,2]=4 500 B6R0.1 CCCC(CC)S TS40939 [1,0,1,0,0,0|0,1,1]=4 501 B6R0.1 CCCC(CC)[Zn+] TS24971 [1,0,1,0,0,0|1,0,1]=4 502 B6R0.1 CCNC(=O)C=C TS03826 [1,0,1,0,0,0|0,0,2]=4 503 B6R0.1 CCNC(=O)CCl TS04876 [1,0,1,0,0,0|1,0,0]=3 504 B6R0.1 CCNC(=O)OC TS31636 [1,0,1,0,0,0|1,0,0]=3 505 B6R0.1 CCOC(=O)CBr TS56141 [1,0,1,0,0,0|2,0,0]=4 506 B6R0.1 CCOC(=O)CCl TS39825 [1,0,1,0,0,0|2,0,0]=4 507 B6R0.1 CCOC(=O)CF TS65215 [1,0,1,0,0,0|2,0,0]=4 508 B6R0.1 CCOC(=O)CN TS31646 [1,0,1,0,0,0|2,0,0]=4 509 B6R0.1 CCOC(=O)CN TS33221 [1,0,1,0,0,0|2,0,0]=4 510 B6R0.1 CCOC(=O)CO TS56147 [1,0,1,0,0,0|2,0,0]=4 511 B6R0.1 CCOC(=O)CS TS01466 [1,0,1,0,0,0|2,0,0]=4 512 B6R0.1 CCOC(=O)NC TS31637 [1,0,1,0,0,0|1,0,0]=3 513 B6R0.1 CCOC(=O)NN TS59780 [1,0,1,0,0,0|2,0,0]=4 514 B6R0.1 CCOC(=O)NO TS04067 [1,0,1,0,0,0|2,0,0]=4 515 B6R0.1 CCOC(=O)OC TS31662 [1,0,1,0,0,0|2,0,0]=4 516 B6R0.1 CNC(=O)CC#N TS55304 [1,0,1,0,0,0|1,0,1]=4 517 B6R0.1 CNCC(=O)OC TS01682 [1,0,1,0,0,0|2,0,0]=4 518 B6R0.1 COC(=O)CCBr TS56269 [1,0,1,0,0,0|2,0,0]=4 519 B6R0.1 COC(=O)CCCl TS04939 [1,0,1,0,0,0|2,0,0]=4 520 B6R0.1 COC(=O)CCN TS08577 [1,0,1,0,0,0|2,0,0]=4 521 B6R0.1 COC(=O)CCO TS65233 [1,0,1,0,0,0|2,0,0]=4 522 B6R0.1 COC(=O)CCS TS04824 [1,0,1,0,0,0|2,0,0]=4 523 B6R0.1 COC(=O)CSC TS39398 [1,0,1,0,0,0|2,0,0]=4 524 B6R0.1 COCC(=O)OC TS39892 [1,0,1,0,0,0|2,0,0]=4 525 B6R0.4 C(CC(=O)Cl)CBr TS94813 [1,0,1,0,0,0|2,0,0]=4 526 B6R0.4 C(CC(=O)Cl)CCl TS33157 [1,0,1,0,0,0|2,0,0]=4 527 B6R0.4 C(CC(=O)N)CN TS37256 [1,0,1,0,0,0|1,0,0]=3 528 B6R0.4 C(CC(=O)O)CBr TS39744 [1,0,1,0,0,0|2,0,0]=4 529 B6R0.4 C(CC(=O)O)CI TS44433 [1,0,1,0,0,0|2,0,0]=4 530 B6R0.4 C(CC(=O)O)CN TS31643 [1,0,1,0,0,0|2,0,0]=4 531 B6R0.4 C(CC(=O)[O-])CO TS01692 [1,0,1,0,0,0|2,0,0]=4 532 B6R0.4 C(CCl)NC(=O)N TS04945 [1,0,1,0,0,0|2,0,0]=4 533 B6R0.4 C(CCl)OC(=O)N TS04987 [1,0,1,0,0,0|2,0,0]=4 534 B6R0.4 C(CO)NC(=O)N TS04021 [1,0,1,0,0,0|2,0,0]=4 535 B6R0.4 CC(=C)CCCO TS31523 [1,0,1,0,0,0|2,0,0]=4 536 B6R0.4 CC(=O)CCC=C TS31440 [1,0,1,0,0,0|0,0,2]=4 537 B6R0.4 CC(=O)CCCCl TS03260 [1,0,1,0,0,0|1,0,0]=3 538 B6R0.4 CC(=O)CCCO TS39779 [1,0,1,0,0,0|1,0,0]=3 539 B6R0.4 CC(=O)CCSC TS32359 [1,0,1,0,0,0|1,0,0]=3 540 B6R0.4 CC(=O)NCCN TS31596 [1,0,1,0,0,0|1,0,0]=3 541 B6R0.4 CC(=O)NCCO TS03989 [1,0,1,0,0,0|1,0,0]=3 542 B6R0.4 CC(=O)NCCS TS04795 [1,0,1,0,0,0|1,0,0]=3 543 B6R0.4 CC(=O)OCCBr TS55164 [1,0,1,0,0,0|2,0,0]=4 544 B6R0.4 CC(=O)OCCCl TS04941 [1,0,1,0,0,0|2,0,0]=4 545 B6R0.4 CC(=O)OCCO TS31665 [1,0,1,0,0,0|2,0,0]=4 546 B6R0.4 CCC#CC(=O)C TS31369 [1,0,1,0,0,0|0,0,2]=4 547 B6R0.4 CCC=CC(=O)C TS31424 [1,0,1,0,0,0|0,0,2]=4 548 B6R0.4 CCCCC(=C)C TS31452 [1,0,1,0,0,0|1,0,0]=3 549 B6R0.4 CCCCC(=O)Br TS42846 [1,0,1,0,0,0|1,0,0]=3 550 B6R0.4 CCCCC(=O)C TS31529 [1,0,1,0,0,0|0,0,0]=2 551 B6R0.4 CCCCC(=O)Cl TS32451 [1,0,1,0,0,0|1,0,0]=3 552 B6R0.4 CCCCC(=O)N TS31554 [1,0,1,0,0,0|0,0,0]=2 553 B6R0.4 CCCCC(=O)O TS03958 [1,0,1,0,0,0|1,0,0]=3 554 B6R0.4 CCCCC(=O)[O-] TS04789 [1,0,1,0,0,0|1,0,0]=3 555 B6R0.4 CCCCC(=O)[O-] TS30457 [1,0,1,0,0,0|1,0,0]=3 556 B6R0.4 CCCCC(C)Br TS42855 [1,0,1,0,0,0|1,0,1]=4 557 B6R0.4 CCCCC(C)C TS03881 [1,0,1,0,0,0|1,0,1]=4 558 B6R0.4 CCCCC(C)Cl TS04843 [1,0,1,0,0,0|1,0,1]=4 559 B6R0.4 CCCCC(C)I TS44108 [1,0,1,0,0,0|1,0,1]=4 560 B6R0.4 CCCCC(C)N TS31565 [1,0,1,0,0,0|1,0,1]=4 561 B6R0.4 CCCCC(C)O TS31617 [1,0,1,0,0,0|0,0,2]=4 562 B6R0.4 CCCCN(C)C TS03927 [1,0,1,0,0,0|2,0,0]=4 563 B6R0.4 CCCC[C@@H](C)N TS03923 [1,0,1,0,0,0|1,0,1]=4 564 B6R0.4 CCCC[C@@H](C)O TS03965 [1,0,1,0,0,0|0,0,2]=4 565 B6R0.4 CCCC[C@H](C)N TS03919 [1,0,1,0,0,0|1,0,1]=4 566 B6R0.4 CCCC[C@H](C)O TS31613 [1,0,1,0,0,0|0,0,2]=4 567 B6R0.4 CCCC[N+](=O)[O-] TS31647 [1,0,1,0,0,0|2,0,0]=4 568 B6R0.4 CCCC[Si](C)C TS04645 [1,0,1,0,0,0|1,1,0]=4 569 B6R0.4 CCCC[Sn](=O)O TS43570 [1,0,1,0,0,0|2,0,0]=4 570 B6R0.4 CCCNC(=O)N TS31594 [1,0,1,0,0,0|1,0,0]=3 571 B6R0.4 CCCNC(=O)[O-] TS31634 [1,0,1,0,0,0|1,0,0]=3 572 B6R0.4 CCCNC(C)C TS03926 [1,0,1,0,0,0|1,0,1]=4 573 B6R0.4 CCCOC(=O)C TS03949 [1,0,1,0,0,0|1,0,0]=3 574 B6R0.4 CCCOC(=O)Cl TS55808 [1,0,1,0,0,0|2,0,0]=4 575 B6R0.4 CCCSC(=O)C TS32364 [1,0,1,0,0,0|1,0,0]=3 576 B6R0.4 CCCSC(=O)Cl TS06329 [1,0,1,0,0,0|2,0,0]=4 577 B6R0.4 CCNCC(=C)C TS03829 [1,0,1,0,0,0|2,0,0]=4 578 B6R0.4 CCNCC(=O)O TS01936 [1,0,1,0,0,0|2,0,0]=4 579 B6R0.4 CCOCC(=O)O TS16814 [1,0,1,0,0,0|2,0,0]=4 580 B6R0.4 CCSCC(=O)C TS32360 [1,0,1,0,0,0|1,0,0]=3 581 B6R0.4 CCSCC(=O)O TS04822 [1,0,1,0,0,0|2,0,0]=4 582 B6R0.4 CNCCC(=O)O TS03990 [1,0,1,0,0,0|2,0,0]=4 583 B6R0.4 COCCC(=O)O TS31660 [1,0,1,0,0,0|2,0,0]=4 584 B8R0.1 CCCC(C)COC=O TS36501 [0,1,1,0,0,0|1,0,0]=3 585 B8R0.1 CCCCC(C=CC)O TS05375 [0,1,1,0,0,0|2,0,0]=4 586 B8R0.1 CCCCC(CC=C)O TS36339 [0,1,1,0,0,0|2,0,0]=4 587 B8R0.1 CCOC(=O)CNC=O TS05641 [0,1,1,0,0,0|1,0,1]=4 588 B8R0.4 C(CCCN)CCCN TS05605 [0,1,1,0,0,0|1,0,1]=4 589 B8R0.4 C(CCCN)CCCO TS36619 [0,1,1,0,0,0|0,0,2]=4 590 B8R0.4 C(CCNCCO)CN TS36704 [0,1,1,0,0,0|0,0,2]=4 591 B8R0.4 C(CN)CNCCCN TS36625 [0,1,1,0,0,0|1,0,1]=4 592 B8R0.4 C(CN)COCCCN TS36713 [0,1,1,0,0,0|1,0,1]=4 593 B8R0.4 C=CCCCCCC=C TS05042 [0,1,1,0,0,0|2,0,0]=4 594 B8R0.4 C=CCCCCCCBr TS01315 [0,1,1,0,0,0|2,0,0]=4 595 B8R0.4 C=CCCCCCCO TS05382 [0,1,1,0,0,0|2,0,0]=4 596 B8R0.4 CCC=CCCOC=O TS05352 [0,1,1,0,0,0|1,0,1]=4 597 B8R0.4 CCCC=CCOC=O TS05336 [0,1,1,0,0,0|1,0,1]=4 598 B8R0.4 CCCCCC#CC=C TS32531 [0,1,1,0,0,0|2,0,0]=4 599 B8R0.4 CCCCCC=CC=O TS36157 [0,1,1,0,0,0|1,0,0]=3 600 B8R0.4 CCCCCC=CCC TS36181 [0,1,1,0,0,0|2,0,0]=4 601 B8R0.4 CCCCCC=CCO TS05393 [0,1,1,0,0,0|1,0,1]=4 602 B8R0.4 CCCCCCC=CC TS05227 [0,1,1,0,0,0|2,0,0]=4 603 B8R0.4 CCCCCCC=NO TS36429 [0,1,1,0,0,0|1,0,1]=4 604 B8R0.4 CCCCCCCC=C TS05208 [0,1,1,0,0,0|2,0,0]=4 605 B8R0.4 CCCCCCCC=O TS05399 [0,1,1,0,0,0|1,0,0]=3 606 B8R0.4 CCCCCCCCN TS05489 [0,1,1,0,0,0|1,0,1]=4 607 B8R0.4 CCCCCCCCN TS12120 [0,1,1,0,0,0|1,0,1]=4 608 B8R0.4 CCCCCCCCN TS20855 [0,1,1,0,0,0|1,0,1]=4 609 B8R0.4 CCCCCCCNC TS05499 [0,1,1,0,0,0|1,0,1]=4 610 B8R0.4 CCCCCCN=C=O TS36237 [0,1,1,0,0,0|0,0,2]=4 611 B8R0.4 CCCCCCNCC TS05500 [0,1,1,0,0,0|1,0,1]=4 612 B8R0.4 CCCCCCOC=O TS36508 [0,1,1,0,0,0|1,0,0]=3 613 B8R0.4 CCCCCNCCO TS36622 [0,1,1,0,0,0|0,0,2]=4 614 B8R0.4 CCCCCOCC=C TS05379 [0,1,1,0,0,0|2,0,0]=4 615 B8R0.4 CCCCOCCCN TS36614 [0,1,1,0,0,0|1,0,1]=4 616 B8R0.4 CCNCCCNCC TS05606 [0,1,1,0,0,0|1,0,1]=4 617 B8R0.4 CNCCCCCCO TS36615 [0,1,1,0,0,0|0,0,2]=4 618 B8R0.4 COCCOCCCN TS05831 [0,1,1,0,0,0|2,0,0]=4 619 B8R0.6 CCCCCC(=O)C=C TS05201 [0,1,1,0,0,0|2,0,0]=4 620 B8R0.6 CCCCCC(C=C)O TS36349 [0,1,1,0,0,0|2,0,0]=4 621 B8R0.6 CCCCCN(C)N=O TS36525 [0,1,1,0,0,0|1,0,0]=3 622 B8R0.6 CCCCC[C@@H](C=C)O TS36348 [0,1,1,0,0,0|2,0,0]=4 623 B8R0.6 CCCCOC(=O)C=O TS36470 [0,1,1,0,0,0|2,0,0]=4 624 B8R0.7 C#CCCCCC(=O)O TS05162 [0,1,1,0,0,0|1,0,1]=4 625 B8R0.7 C(CCC(=O)Cl)CCBr TS21556 [0,1,1,0,0,0|1,0,0]=3 626 B8R0.7 C(CCC(=O)Cl)CCCl TS44963 [0,1,1,0,0,0|1,0,0]=3 627 B8R0.7 C(CCC(=O)N)CCBr TS17766 [0,1,1,0,0,0|1,0,0]=3 628 B8R0.7 C(CCC(=O)N)CCN TS93750 [0,1,1,0,0,0|0,0,0]=2 629 B8R0.7 C(CCC(=O)O)CCBr TS55559 [0,1,1,0,0,0|1,0,0]=3 630 B8R0.7 C(CCC(=O)O)CCCl TS09966 [0,1,1,0,0,0|1,0,0]=3 631 B8R0.7 C(CCC(=O)O)CCN TS33197 [0,1,1,0,0,0|0,0,0]=2 632 B8R0.7 C(CCC(=O)O)CCN TS94650 [0,1,1,0,0,0|0,0,0]=2 633 B8R0.7 C(CCC(=O)O)CCO TS55607 [0,1,1,0,0,0|1,0,0]=3 634 B8R0.7 C(CCCl)COC(=O)Cl TS12954 [0,1,1,0,0,0|2,0,0]=4 635 B8R0.7 C(CCNC(=N)N)CN TS02119 [0,1,1,0,0,0|2,0,0]=4 636 B8R0.7 C(CCNC(=N)N)CN TS05574 [0,1,1,0,0,0|2,0,0]=4 637 B8R0.7 C(CCON)CC(=O)O TS44444 [0,1,1,0,0,0|1,0,0]=3 638 B8R0.7 C=CCCCCC(=O)O TS36303 [0,1,1,0,0,0|1,0,1]=4 639 B8R0.7 CC(=O)NCCCCN TS43167 [0,1,1,0,0,0|1,0,0]=3 640 B8R0.7 CC(=O)OCCCCBr TS17993 [0,1,1,0,0,0|2,0,0]=4 641 B8R0.7 CC(=O)OCCCCI TS26787 [0,1,1,0,0,0|2,0,0]=4 642 B8R0.7 CC(=O)OCCCSC TS07491 [0,1,1,0,0,0|2,0,0]=4 643 B8R0.7 CC(C)CCCCCN TS05491 [0,1,1,0,0,0|1,0,1]=4 644 B8R0.7 CCCCC#CC(=O)O TS36120 [0,1,1,0,0,0|1,0,1]=4 645 B8R0.7 CCCCC=CC(=O)C TS05179 [0,1,1,0,0,0|1,0,1]=4 646 B8R0.7 CCCCC=CC(=O)Cl TS07286 [0,1,1,0,0,0|1,0,1]=4 647 B8R0.7 CCCCC=CC(=O)O TS05335 [0,1,1,0,0,0|1,0,1]=4 648 B8R0.7 CCCCCCC(=O)C TS36325 [0,1,1,0,0,0|1,0,0]=3 649 B8R0.7 CCCCCCC(=O)Cl TS07515 [0,1,1,0,0,0|1,0,0]=3 650 B8R0.7 CCCCCCC(=O)N TS36432 [0,1,1,0,0,0|1,0,0]=3 651 B8R0.7 CCCCCCC(=O)O TS05558 [0,1,1,0,0,0|1,0,0]=3 652 B8R0.7 CCCCCCC(=O)[O-] TS10169 [0,1,1,0,0,0|1,0,0]=3 653 B8R0.7 CCCCCCC(C)N TS05493 [0,1,1,0,0,0|1,0,1]=4 654 B8R0.7 CCCCCC[C@@H](C)N TS05497 [0,1,1,0,0,0|1,0,1]=4 655 B8R0.7 CCCCCC[C@H](C)N TS05488 [0,1,1,0,0,0|1,0,1]=4 656 B8R0.7 CCCCCC[N+](=O)[O-] TS36590 [0,1,1,0,0,0|2,0,0]=4 657 B8R0.7 CCCCCOC(=O)C TS05568 [0,1,1,0,0,0|1,0,0]=3 658 B8R0.7 CCCCCOC(=O)Cl TS59753 [0,1,1,0,0,0|1,0,0]=3 659 B8R0.7 CCCCCON(=O)=O TS05817 [0,1,1,0,0,0|2,0,0]=4 660 B8R0.7 CCCCOCC(=O)O TS05720 [0,1,1,0,0,0|2,0,0]=4 661 B8R0.7 CCOCCOC(=O)C TS05728 [0,1,1,0,0,0|2,0,0]=4 662 B8R0.7 CCOCCOC(=O)Cl TS10247 [0,1,1,0,0,0|2,0,0]=4 663 B8R0.3 CC(CCCl)C(=O)OC TS09965 [0,1,1,0,0,0|2,0,0]=4 664 B8R0.3 CCCC(C(=O)OC)Br TS93475 [0,1,1,0,0,0|1,0,0]=3 665 B8R0.3 CCCC(C)C(=O)OC TS05547 [0,1,1,0,0,0|1,0,0]=3 666 B8R0.3 CCC[C@@H](C(=O)OC)N TS43284 [0,1,1,0,0,0|1,0,0]=3 667 B8R0.3 COC(=O)C(CCBr)Br TS68328 [0,1,1,0,0,0|2,0,0]=4 668 B8R0.3 COCC(C(=O)OC)Br TS53797 [0,1,1,0,0,0|2,0,0]=4 669 B8R0.8 CC(=C)C(=O)NCCO TS36409 [0,1,1,0,0,0|1,0,1]=4 670 B8R0.8 CC(=C)C(=O)NCOC TS36403 [0,1,1,0,0,0|1,0,1]=4 671 B8R0.8 CC(C(=O)NCCO)O TS05811 [0,1,1,0,0,0|1,0,0]=3 672 B8R0.8 CCCCC(=C(C)C)C TS05209 [0,1,1,0,0,0|2,0,0]=4 673 B8R0.8 CCCCC(=O)C(=O)C TS05337 [0,1,1,0,0,0|1,0,0]=3 674 B8R0.8 CCCCC(=O)C(=O)[O-] TS41093 [0,1,1,0,0,0|2,0,0]=4 675 B8R0.8 CCCCC(=O)C(C)C TS36328 [0,1,1,0,0,0|1,0,0]=3 676 B8R0.8 CCCCC(=O)N(C)C TS05483 [0,1,1,0,0,0|0,0,0]=2 677 B8R0.8 CCCOC(=O)C(=C)C TS36313 [0,1,1,0,0,0|1,0,1]=4 678 B8R0.8 CCCOC(=O)C(=O)C TS40210 [0,1,1,0,0,0|1,0,1]=4 679 B8R0.8 CCCOC(=O)C(C)O TS05710 [0,1,1,0,0,0|1,0,0]=3 680 B8R0.8 CCCOC(=O)[C@H](C)O TS05734 [0,1,1,0,0,0|1,0,0]=3 681 B8R0.8 CN(C)C(=O)CCCCl TS40801 [0,1,1,0,0,0|1,0,0]=3 682 B8R0.9 CC(=O)CCC(=O)OC TS05537 [0,1,1,0,0,0|1,0,1]=4 683 B8R0.9 CC(=O)NCC(=O)NC TS36477 [0,1,1,0,0,0|1,0,1]=4 684 B8R0.9 CC(C)CCC(=O)OC TS36500 [0,1,1,0,0,0|1,0,0]=3 685 B8R0.9 CCC(=O)CCC(C)C TS05386 [0,1,1,0,0,0|1,0,0]=3 686 B8R0.9 CCC(=O)OCC(C)C TS05543 [0,1,1,0,0,0|1,0,0]=3 687 B8R0.9 CN(C)CCC(=O)OC TS36601 [0,1,1,0,0,0|2,0,0]=4 688 B8R0.9 CNC(=O)CCC(=O)O TS05642 [0,1,1,0,0,0|1,0,1]=4 689 B8R0.11 CCCC=C(CC)C=O TS05180 [0,1,1,0,0,0|1,0,0]=3 690 B8R0.11 CCCCC(CC)C=O TS36324 [0,1,1,0,0,0|1,0,1]=4 691 B8R0.11 CCCCN(CC)N=O TS05572 [0,1,1,0,0,0|2,0,0]=4 692 B8R0.19 CCC(=O)CC(=O)CC TS36297 [0,1,1,0,0,0|1,0,1]=4 693 B8R0.19 CCC(=O)CC(=O)OC TS02305 [0,1,1,0,0,0|1,0,1]=4 694 B8R0.19 CCC(=O)OC(=O)CC TS39924 [0,1,1,0,0,0|1,0,1]=4 695 B8R0.19 CCC(C)C=C(C)CC TS36183 [0,1,1,0,0,0|2,0,0]=4 696 B8R0.19 CCC(C)CC(=O)CC TS36340 [0,1,1,0,0,0|1,0,0]=3 697 B8R0.19 CCC(C)CC(=O)OC TS36498 [0,1,1,0,0,0|1,0,0]=3 698 B8R0.19 CCC(C)NC(=O)CCl TS40798 [0,1,1,0,0,0|1,0,0]=3 699 B8R0.19 CCC(C)NC(C)CC TS05494 [0,1,1,0,0,0|1,0,1]=4 700 B8R0.19 CCC(C)OC(=S)NC TS40578 [0,1,1,0,0,0|1,1,0]=4 701 B8R0.19 CC[C@@H](CC(=O)OC)O TS64924 [0,1,1,0,0,0|1,0,0]=3 702 B8R0.19 CC[C@H](CC(=O)OC)O TS05724 [0,1,1,0,0,0|1,0,0]=3 703 B8R0.19 COC(=O)CC(CCl)O TS22838 [0,1,1,0,0,0|2,0,0]=4 704 B8R0.19 COC(=O)C[C@@H](CCl)O TS10244 [0,1,1,0,0,0|2,0,0]=4 705 B8R0.19 COC(=O)C[C@@H](CO)O TS05870 [0,1,1,0,0,0|2,0,0]=4 706 B8R0.19 COC(=O)C[C@H](CCl)O TS10243 [0,1,1,0,0,0|2,0,0]=4 707 B8R0.5 C(C#N)[C@@H](CC(=O)N)O TS05318 [0,1,1,0,0,0|1,0,1]=4 708 B8R0.5 C(C#N)[C@H](CC(=O)N)O TS05315 [0,1,1,0,0,0|1,0,1]=4 709 B8R0.5 CC(COC)OC(=O)C TS05714 [0,1,1,0,0,0|2,0,0]=4 710 B8R0.5 CCCC(C)CC(=C)C TS36185 [0,1,1,0,0,0|2,0,0]=4 711 B8R0.5 CCCC(C)CC(=O)C TS05394 [0,1,1,0,0,0|1,0,0]=3 712 B8R0.5 CCCC(C)CC(=O)O TS05545 [0,1,1,0,0,0|1,0,0]=3 713 B8R0.5 CCCC(C)OC(=O)C TS05542 [0,1,1,0,0,0|1,0,0]=3 714 B8R0.5 CCC[C@H](C)CC(=O)O TS36494 [0,1,1,0,0,0|1,0,0]=3 715 B8R0.5 CCOC(=O)CC(=O)N TS01462 [0,1,1,0,0,0|1,0,1]=4 716 B8R0.5 CCOC(=O)NC(=O)C TS05638 [0,1,1,0,0,0|1,0,1]=4 717 B8R0.21 CCCCCS(=O)(=O)[O-] TS51443 [0,1,1,0,0,0|2,0,0]=4 718 B8R0.21 CCCCOS(=O)(=O)C TS41164 [0,1,1,0,0,0|2,0,0]=4 719 B8R0.28 C(CC(=O)N)CC(=O)O TS05646 [0,1,1,0,0,0|1,0,1]=4 720 B8R0.28 CC(=O)CCCC(=O)O TS36468 [0,1,1,0,0,0|1,0,1]=4 721 B8R0.28 CC(=O)NCCC(=O)O TS05634 [0,1,1,0,0,0|1,0,1]=4 722 B8R0.28 CC(=O)OCCN(C)C TS36594 [0,1,1,0,0,0|2,0,0]=4 723 B8R0.28 CC(C)CC=CC(=O)C TS05196 [0,1,1,0,0,0|1,0,1]=4 724 B8R0.28 CC(C)CCCC(=C)C TS05218 [0,1,1,0,0,0|2,0,0]=4 725 B8R0.28 CC(C)CCCC(=O)O TS36507 [0,1,1,0,0,0|1,0,0]=3 726 B8R0.28 CC(C)CCCC(C)N TS05490 [0,1,1,0,0,0|1,0,1]=4 727 B8R0.28 CC(C)CCNC(=O)C TS36434 [0,1,1,0,0,0|0,0,0]=2 728 B8R0.28 CC(C)CCOC(=O)C TS05553 [0,1,1,0,0,0|1,0,0]=3 729 B8R0.28 CC(C)OCCC(=O)C TS05569 [0,1,1,0,0,0|2,0,0]=4 730 B8R0.28 CN(C)CCCC(=O)O TS12444 [0,1,1,0,0,0|2,0,0]=4 731 B8R0.28 C[C@@H](CCCC(C)C)N TS04561 [0,1,1,0,0,0|1,0,1]=4 732 B8R0.22 CCCC(CCC)C=O TS36347 [0,1,1,0,0,0|1,0,1]=4 733 B8R0.22 CCCN(CCC)C=O TS36421 [0,1,1,0,0,0|2,0,0]=4 734 B8R0.22 CCCN(CCC)N=O TS36520 [0,1,1,0,0,0|2,0,0]=4 735 B8R0.30 CCCS(=O)(=O)CCC TS09956 [0,1,1,0,0,0|2,0,0]=4 736 B8R0.30 CCNS(=O)(=O)NCC TS41170 [0,1,1,0,0,0|2,0,0]=4 737 B8R1.2 C1CC(=COC1)C=O TS31909 [0,1,0,0,1,0|1,0,1]=4 738 B8R1.2 C1CC(COC1)C=O TS16821 [0,1,0,0,1,0|1,0,1]=4 739 B8R1.2 C1CCC(=CC1)C#N TS04115 [0,1,0,0,1,0|1,0,1]=4 740 B8R1.2 C1CCC(=CC1)C=O TS31838 [0,1,0,0,1,0|0,0,1]=3 741 B8R1.2 C1CCC(=CC1)CBr TS90142 [0,1,0,0,1,0|1,0,1]=4 742 B8R1.2 C1CCC(=NO)CC1 TS04394 [0,1,0,0,1,0|0,0,1]=3 743 B8R1.2 C1CCC(CC1)C#N TS31808 [0,1,0,0,1,0|1,0,1]=4 744 B8R1.2 C1CCC(CC1)C#N TS40668 [0,1,0,0,1,0|1,0,1]=4 745 B8R1.2 C1CCC(CC1)C=O TS01404 [0,1,0,0,1,0|0,0,1]=3 746 B8R1.2 C1CCC(CC1)CBr TS46572 [0,1,0,0,1,0|1,0,1]=4 747 B8R1.2 C1CCC(CC1)CCl TS36740 [0,1,0,0,1,0|1,0,1]=4 748 B8R1.2 C1CCC(CC1)CN TS04402 [0,1,0,0,1,0|1,0,1]=4 749 B8R1.2 C1CCC(CC1)CO TS04473 [0,1,0,0,1,0|0,0,2]=4 750 B8R1.2 C1CCC(CC1)CS TS05617 [0,1,0,0,1,0|0,1,1]=4 751 B8R1.2 C1CCC(CC1)NO TS10098 [0,1,0,0,1,0|0,0,2]=4 752 B8R1.2 C1CCC(CC1)[Mg]Br TS50598 [0,1,0,0,1,0|1,0,1]=4 753 B8R1.2 C1CCC(CC1)[Mg]Cl TS06810 [0,1,0,0,1,0|1,0,1]=4 754 B8R1.2 C1CCN(CC1)C#N TS04210 [0,1,0,0,1,0|2,0,0]=4 755 B8R1.2 C1CCN(CC1)C=O TS56398 [0,1,0,0,1,0|1,0,0]=3 756 B8R1.2 C1CCN(CC1)CCl TS05849 [0,1,0,0,1,0|2,0,0]=4 757 B8R1.2 C1CCN(CC1)CO TS32161 [0,1,0,0,1,0|1,0,1]=4 758 B8R1.2 C1CCN(CC1)N=O TS01612 [0,1,0,0,1,0|1,0,0]=3 759 B8R1.2 C1CCNC(C1)C#N TS85344 [0,1,0,0,1,0|1,0,1]=4 760 B8R1.2 C1CCNC(C1)C=O TS04396 [0,1,0,0,1,0|0,0,1]=3 761 B8R1.2 C1CCNC(C1)CN TS02462 [0,1,0,0,1,0|1,0,1]=4 762 B8R1.2 C1CCNC(C1)CO TS02460 [0,1,0,0,1,0|0,0,2]=4 763 B8R1.2 C1CN(CCN1)C=O TS00443 [0,1,0,0,1,0|2,0,0]=4 764 B8R1.2 C1CNC(=NC1)NN TS26789 [0,1,0,0,1,0|2,0,0]=4 765 B8R1.2 C1CNCCC1C=O TS59355 [0,1,0,0,1,0|1,0,1]=4 766 B8R1.2 C1COCC(=C1)C=O TS31902 [0,1,0,0,1,0|1,0,1]=4 767 B8R1.2 C1COCCC1C=O TS59439 [0,1,0,0,1,0|1,0,1]=4 768 B8R1.2 C1COCCN1C=O TS34591 [0,1,0,0,1,0|2,0,0]=4 769 B8R1.2 C1COCCN1N=O TS04571 [0,1,0,0,1,0|2,0,0]=4 770 B8R1.2 CCC1=CCCCC1 TS31842 [0,1,0,0,1,0|1,0,1]=4 771 B8R1.2 CCC1CCCCC1 TS04342 [0,1,0,0,1,0|1,0,1]=4 772 B8R1.2 CCC1CCCCN1 TS04398 [0,1,0,0,1,0|1,0,1]=4 773 B8R1.2 CCN1CCCCC1 TS00439 [0,1,0,0,1,0|2,0,0]=4 774 B8R1.2 CCN1CCCCC1 TS32031 [0,1,0,0,1,0|2,0,0]=4 775 B8R1.2 CNC1CCCCC1 TS08095 [0,1,0,0,1,0|1,0,1]=4 776 B8R1.2 COC1=CCCCC1 TS04308 [0,1,0,0,1,0|0,0,2]=4 777 B8R1.2 COC1=NCCCC1 TS04387 [0,1,0,0,1,0|0,0,2]=4 778 B8R1.2 COC1CCCCC1 TS32092 [0,1,0,0,1,0|0,0,2]=4 779 B8R1.2 CSC1=NCCCN1 TS68095 [0,1,0,0,1,0|1,1,0]=4 780 B8R1.2 CSC1CCCCC1 TS05616 [0,1,0,0,1,0|0,1,1]=4 781 B8R1.2 [C-]#[N+]C1CCCCC1 TS34562 [0,1,0,0,1,0|1,0,1]=4 782 B8R1.3 C1CC(=O)CCC1=O TS39842 [0,1,0,0,1,0|0,0,1]=3 783 B8R1.3 C1CC(=O)CCC1O TS94873 [0,1,0,0,1,0|0,0,0]=2 784 B8R1.3 C1CC(=O)NCC1=O TS59930 [0,1,0,0,1,0|0,0,1]=3 785 B8R1.3 C1CC(=O)NCC1N TS88548 [0,1,0,0,1,0|0,0,0]=2 786 B8R1.3 C1CC(CCC1Br)Br TS26770 [0,1,0,0,1,0|1,0,1]=4 787 B8R1.3 C1CC(CCC1Cl)Cl TS10276 [0,1,0,0,1,0|1,0,1]=4 788 B8R1.3 C1CC(CCC1N)N TS04489 [0,1,0,0,1,0|1,0,1]=4 789 B8R1.3 C1CC(CCC1N)O TS02991 [0,1,0,0,1,0|0,0,2]=4 790 B8R1.3 C1CC(CCC1N)O TS93903 [0,1,0,0,1,0|0,0,2]=4 791 B8R1.3 C1CC(CCC1O)Cl TS05955 [0,1,0,0,1,0|0,0,2]=4 792 B8R1.3 C1CC(CCC1O)O TS32227 [0,1,0,0,1,0|0,0,2]=4 793 B8R1.3 C1CC(NCC1Cl)N TS05956 [0,1,0,0,1,0|1,0,1]=4 794 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N TS93779 [0,1,0,0,1,0|0,0,2]=4 795 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O TS89848 [0,1,0,0,1,0|0,0,2]=4 796 B8R1.3 C1[C@@H](CC[C@H](C1)Cl)Cl TS10278 [0,1,0,0,1,0|1,0,1]=4 797 B8R1.3 C1[C@@H](CC[C@H](C1)N)N TS59454 [0,1,0,0,1,0|1,0,1]=4 798 B8R1.3 C1[C@@H](CC[C@H](C1)O)O TS32222 [0,1,0,0,1,0|0,0,2]=4 799 B8R1.3 C=C1CCC(=C)CC1 TS04140 [0,1,0,0,1,0|1,0,1]=4 800 B8R1.3 CC1=NNC(=O)CC1 TS04298 [0,1,0,0,1,0|1,0,1]=4 801 B8R1.3 CC1CCC(=O)CC1 TS39765 [0,1,0,0,1,0|0,0,0]=2 802 B8R1.3 CC1CCC(CC1)Br TS46222 [0,1,0,0,1,0|1,0,1]=4 803 B8R1.3 CC1CCC(CC1)Cl TS36737 [0,1,0,0,1,0|1,0,1]=4 804 B8R1.3 CC1CCC(CC1)O TS32101 [0,1,0,0,1,0|0,0,2]=4 805 B8R1.3 CC1CCN(CC1)N TS04493 [0,1,0,0,1,0|2,0,0]=4 806 B8R1.3 CN1CCC(=O)CC1 TS00486 [0,1,0,0,1,0|1,0,0]=3 807 B8R1.3 CN1CCC(CC1)N TS91071 [0,1,0,0,1,0|2,0,0]=4 808 B8R1.3 CN1CCC(CC1)O TS00485 [0,1,0,0,1,0|2,0,0]=4 809 B8R1.3 CN1CCC(CC1)O TS87606 [0,1,0,0,1,0|2,0,0]=4 810 B8R1.3 C[C@H]1CC[C@@H](CC1)C TS31961 [0,1,0,0,1,0|1,0,1]=4 811 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS40806 [0,1,0,0,1,0|1,0,1]=4 812 B8R1.3 C[C@H]1CC[C@@H](CC1)N TS94786 [0,1,0,0,1,0|1,0,1]=4 813 B8R1.3 C[C@H]1CC[C@@H](CC1)O TS32104 [0,1,0,0,1,0|0,0,2]=4 814 B8R1.3 C[C@H]1CC[C@@H](NC1)C TS04401 [0,1,0,0,1,0|1,0,1]=4 815 B8R1.3 C[C@H]1CC[C@H](CC1)C TS04337 [0,1,0,0,1,0|1,0,1]=4 816 B8R1.3 C[C@H]1CC[C@H](CC1)N TS40803 [0,1,0,0,1,0|1,0,1]=4 817 B8R1.3 C[C@H]1CC[C@H](CC1)O TS32107 [0,1,0,0,1,0|0,0,2]=4 818 B8R1.4 C1C(=O)COCC1=O TS39664 [0,1,0,0,1,0|1,0,1]=4 819 B8R1.4 C1C(=O)CSCC1=O TS86965 [0,1,0,0,1,0|1,0,1]=4 820 B8R1.4 C1C(=O)NC(=O)CN1 TS59350 [0,1,0,0,1,0|1,0,1]=4 821 B8R1.4 C1CC(=CC(=O)C1)Br TS13615 [0,1,0,0,1,0|0,0,2]=4 822 B8R1.4 C1CC(=CC(=O)C1)N TS39297 [0,1,0,0,1,0|0,0,2]=4 823 B8R1.4 C1CC(=O)CC(=O)C1 TS39841 [0,1,0,0,1,0|0,0,1]=3 824 B8R1.4 C1CC(=O)NC(=O)C1 TS04369 [0,1,0,0,1,0|0,0,1]=3 825 B8R1.4 C1CC(=O)OC(=O)C1 TS56168 [0,1,0,0,1,0|1,0,1]=4 826 B8R1.4 C1CC(CC(C1)O)N TS65882 [0,1,0,0,1,0|0,0,2]=4 827 B8R1.4 C1CC(CC(C1)O)O TS32206 [0,1,0,0,1,0|0,0,2]=4 828 B8R1.4 C1CC(NC(C1)Br)Br TS26942 [0,1,0,0,1,0|1,0,1]=4 829 B8R1.4 C1CNC(=O)CC1=O TS00654 [0,1,0,0,1,0|0,0,1]=3 830 B8R1.4 C1CNC(=O)CC1N TS02971 [0,1,0,0,1,0|0,0,0]=2 831 B8R1.4 C1CNC(=O)CC1O TS03134 [0,1,0,0,1,0|0,0,0]=2 832 B8R1.4 C1CNC(=O)C[C@@H]1O TS04536 [0,1,0,0,1,0|0,0,0]=2 833 B8R1.4 C1CNC(=O)NC1=O TS32045 [0,1,0,0,1,0|1,0,1]=4 834 B8R1.4 C1CNC(=O)OC1=O TS04515 [0,1,0,0,1,0|1,0,1]=4 835 B8R1.4 CC1=CC(=O)CCC1 TS04198 [0,1,0,0,1,0|0,0,2]=4 836 B8R1.4 CC1=CC(CCC1)O TS31949 [0,1,0,0,1,0|1,0,1]=4 837 B8R1.4 CC1CC(=O)CCN1 TS59976 [0,1,0,0,1,0|1,0,0]=3 838 B8R1.4 CC1CC(=O)CCO1 TS87534 [0,1,0,0,1,0|1,0,0]=3 839 B8R1.4 CC1CC(CCN1)O TS85562 [0,1,0,0,1,0|1,0,1]=4 840 B8R1.4 CC1CCCC(=C1)C TS48310 [0,1,0,0,1,0|1,0,1]=4 841 B8R1.4 CC1CCCC(=O)O1 TS04447 [0,1,0,0,1,0|1,0,0]=3 842 B8R1.4 CC1CCCC(C1)C TS04353 [0,1,0,0,1,0|1,0,1]=4 843 B8R1.4 CC1CCCC(C1)C TS06754 [0,1,0,0,1,0|1,0,1]=4 844 B8R1.4 CC1CCCC(N1)C TS00705 [0,1,0,0,1,0|1,0,1]=4 845 B8R1.4 CC1CCNC(=N)C1 TS45483 [0,1,0,0,1,0|1,0,0]=3 846 B8R1.4 CC1CCNC(C1)C TS07699 [0,1,0,0,1,0|1,0,1]=4 847 B8R1.4 CC1CCOC(=O)C1 TS32063 [0,1,0,0,1,0|1,0,0]=3 848 B8R1.4 CN1CCCC(=O)C1 TS46998 [0,1,0,0,1,0|1,0,0]=3 849 B8R1.4 CN1CCCC(C1)N TS46440 [0,1,0,0,1,0|2,0,0]=4 850 B8R1.4 CN1CCCC(C1)O TS32155 [0,1,0,0,1,0|2,0,0]=4 851 B8R1.4 CN1CCC[C@@H](C1)N TS89342 [0,1,0,0,1,0|2,0,0]=4 852 B8R1.4 CN1CCC[C@@H](C1)N TS90187 [0,1,0,0,1,0|2,0,0]=4 853 B8R1.4 CN1CCC[C@@H](C1)O TS90969 [0,1,0,0,1,0|2,0,0]=4 854 B8R1.4 CN1CCC[C@H](C1)N TS91342 [0,1,0,0,1,0|2,0,0]=4 855 B8R1.4 CN1CCC[C@H](C1)O TS90931 [0,1,0,0,1,0|2,0,0]=4 856 B8R1.4 C[C@@H]1CC(=O)CCO1 TS91794 [0,1,0,0,1,0|1,0,0]=3 857 B8R1.4 C[C@@H]1CCCC(=O)C1 TS31940 [0,1,0,0,1,0|0,0,0]=2 858 B8R1.4 C[C@@H]1CCCC(=O)O1 TS04430 [0,1,0,0,1,0|1,0,0]=3 859 B8R1.4 C[C@@H]1CCC[C@@H](N1)C TS55822 [0,1,0,0,1,0|1,0,1]=4 860 B8R1.4 C[C@@H]1COCC(=O)N1 TS04524 [0,1,0,0,1,0|1,0,0]=3 861 B8R1.4 C[C@@H]1C[C@@H](CCN1)O TS92594 [0,1,0,0,1,0|1,0,1]=4 862 B8R1.4 C[C@H]1CC(=O)CCO1 TS86799 [0,1,0,0,1,0|1,0,0]=3 863 B8R1.4 C[C@H]1C[C@H](CCN1)O TS91872 [0,1,0,0,1,0|1,0,1]=4 864 B8R1.5 C1CC(C(=O)NC1)N TS39701 [0,1,0,0,1,0|0,0,0]=2 865 B8R1.5 C1CC(C(=O)NC1)O TS02789 [0,1,0,0,1,0|0,0,0]=2 866 B8R1.5 C1CCC(=O)C(=O)C1 TS46777 [0,1,0,0,1,0|0,0,1]=3 867 B8R1.5 C1CCC(=O)C(C1)Br TS55160 [0,1,0,0,1,0|0,0,0]=2 868 B8R1.5 C1CCC(=O)C(C1)Cl TS36731 [0,1,0,0,1,0|0,0,0]=2 869 B8R1.5 C1CCC(=O)C(C1)O TS32072 [0,1,0,0,1,0|0,0,0]=2 870 B8R1.5 C1CCC(C(C1)Br)Br TS26769 [0,1,0,0,1,0|1,0,1]=4 871 B8R1.5 C1CCC(C(C1)F)Br TS48027 [0,1,0,0,1,0|1,0,1]=4 872 B8R1.5 C1CCC(C(C1)N)N TS21352 [0,1,0,0,1,0|1,0,1]=4 873 B8R1.5 C1CCC(C(C1)N)N TS67173 [0,1,0,0,1,0|1,0,1]=4 874 B8R1.5 C1CCC(C(C1)O)Cl TS05949 [0,1,0,0,1,0|0,0,2]=4 875 B8R1.5 C1CCC(C(C1)O)O TS32216 [0,1,0,0,1,0|0,0,2]=4 876 B8R1.5 C1CCN(C(=O)C1)N TS32084 [0,1,0,0,1,0|0,0,0]=2 877 B8R1.5 C1CC[C@@H]([C@@H](C1)Cl)Cl TS10277 [0,1,0,0,1,0|1,0,1]=4 878 B8R1.5 C1CC[C@@H]([C@@H](C1)N)N TS04490 [0,1,0,0,1,0|1,0,1]=4 879 B8R1.5 C1CC[C@@H]([C@@H](C1)O)O TS32224 [0,1,0,0,1,0|0,0,2]=4 880 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS07988 [0,1,0,0,1,0|1,0,1]=4 881 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS22908 [0,1,0,0,1,0|1,0,1]=4 882 B8R1.5 C1CC[C@@H]([C@H](C1)N)N TS93093 [0,1,0,0,1,0|1,0,1]=4 883 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS10097 [0,1,0,0,1,0|0,0,2]=4 884 B8R1.5 C1CC[C@@H]([C@H](C1)N)O TS32157 [0,1,0,0,1,0|0,0,2]=4 885 B8R1.5 C1CC[C@H]([C@@H](C1)Br)Br TS26767 [0,1,0,0,1,0|1,0,1]=4 886 B8R1.5 C1CC[C@H]([C@@H](C1)Cl)Cl TS10275 [0,1,0,0,1,0|1,0,1]=4 887 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS01623 [0,1,0,0,1,0|1,0,1]=4 888 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS09980 [0,1,0,0,1,0|1,0,1]=4 889 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93516 [0,1,0,0,1,0|1,0,1]=4 890 B8R1.5 C1CC[C@H]([C@@H](C1)N)N TS93952 [0,1,0,0,1,0|1,0,1]=4 891 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS22861 [0,1,0,0,1,0|0,0,2]=4 892 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS41076 [0,1,0,0,1,0|0,0,2]=4 893 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS46605 [0,1,0,0,1,0|0,0,2]=4 894 B8R1.5 C1CC[C@H]([C@@H](C1)N)O TS94619 [0,1,0,0,1,0|0,0,2]=4 895 B8R1.5 C1CC[C@H]([C@@H](C1)O)O TS32205 [0,1,0,0,1,0|0,0,2]=4 896 B8R1.5 C1CC[C@H]([C@H](C1)N)O TS29487 [0,1,0,0,1,0|0,0,2]=4 897 B8R1.5 C1CNC(=O)C(=O)N1 TS32054 [0,1,0,0,1,0|1,0,1]=4 898 B8R1.5 C1CNCC(C1=O)Br TS60337 [0,1,0,0,1,0|1,0,0]=3 899 B8R1.5 C1CNCC(C1=O)F TS88150 [0,1,0,0,1,0|1,0,0]=3 900 B8R1.5 C1COCC(C1=O)Br TS87523 [0,1,0,0,1,0|1,0,0]=3 901 B8R1.5 C1COCC(C1=O)F TS90072 [0,1,0,0,1,0|1,0,0]=3 902 B8R1.5 C1C[C@@H](C(=O)NC1)N TS46661 [0,1,0,0,1,0|0,0,0]=2 903 B8R1.5 C1C[C@H](C(=O)NC1)N TS32081 [0,1,0,0,1,0|0,0,0]=2 904 B8R1.5 CC1=C(CCCC1)C TS31858 [0,1,0,0,1,0|1,0,1]=4 905 B8R1.5 CC1=CCCCC1=O TS31839 [0,1,0,0,1,0|0,0,2]=4 906 B8R1.5 CC1=NCCCN1C TS04326 [0,1,0,0,1,0|2,0,0]=4 907 B8R1.5 CC1CCCC=C1C TS31849 [0,1,0,0,1,0|1,0,1]=4 908 B8R1.5 CC1CCCCC1=C TS31851 [0,1,0,0,1,0|1,0,0]=3 909 B8R1.5 CC1CCCCC1=O TS01136 [0,1,0,0,1,0|0,0,0]=2 910 B8R1.5 CC1CCCCC1C TS31973 [0,1,0,0,1,0|1,0,1]=4 911 B8R1.5 CC1CCCCC1N TS32030 [0,1,0,0,1,0|1,0,1]=4 912 B8R1.5 CC1CCCCC1O TS32109 [0,1,0,0,1,0|0,0,2]=4 913 B8R1.5 CC1CCCNC1C TS22984 [0,1,0,0,1,0|1,0,1]=4 914 B8R1.5 CC1CCNCC1=O TS92225 [0,1,0,0,1,0|1,0,0]=3 915 B8R1.5 CC1CNCCC1=O TS02832 [0,1,0,0,1,0|1,0,0]=3 916 B8R1.5 CC1CNCCC1=O TS70671 [0,1,0,0,1,0|1,0,0]=3 917 B8R1.5 CC1COCCC1=O TS89718 [0,1,0,0,1,0|1,0,0]=3 918 B8R1.5 CN1CCCCC1=O TS04393 [0,1,0,0,1,0|0,0,0]=2 919 B8R1.5 CN1CCNCC1=O TS89214 [0,1,0,0,1,0|1,0,0]=3 920 B8R1.5 C[C@@H]1CCCC[C@@H]1C TS31965 [0,1,0,0,1,0|1,0,1]=4 921 B8R1.5 C[C@@H]1CCCC[C@H]1N TS04400 [0,1,0,0,1,0|1,0,1]=4 922 B8R1.5 C[C@@H]1CCCC[C@H]1O TS32106 [0,1,0,0,1,0|0,0,2]=4 923 B8R1.5 C[C@H]1CCCC[C@H]1O TS32115 [0,1,0,0,1,0|0,0,2]=4 924 B8R1.72 C1CCC(CC1)(F)F TS32422 [0,1,0,0,1,0|1,0,1]=4 925 B8R1.72 C1CC[Si](CC1)(Cl)Cl TS44980 [0,1,0,0,1,0|1,1,0]=4 926 B8R1.72 C1COCS(=O)(=O)N1 TS86280 [0,1,0,0,1,0|2,0,0]=4 927 B8R1.72 C1CS(=O)(=O)CCN1 TS01728 [0,1,0,0,1,0|2,0,0]=4 928 B8R1.72 C1CS(=O)(=O)CCN1 TS46756 [0,1,0,0,1,0|2,0,0]=4 929 B8R1.72 C1CS(=O)(=O)CCN1 TS87678 [0,1,0,0,1,0|2,0,0]=4 930 B8R1.72 C1CS(=O)(=O)CCO1 TS36998 [0,1,0,0,1,0|2,0,0]=4 931 B8R1.72 C1CS(=O)(=O)NCN1 TS37001 [0,1,0,0,1,0|2,0,0]=4 932 B8R1.72 CC1(CCCCC1)O TS32093 [0,1,0,0,1,0|0,0,2]=4 933 B8R1.72 C[N+]1(CCCCC1)C TS40805 [0,1,0,0,1,0|2,0,0]=4 934 B8R1.72 C[Si]1(CCCCC1)C TS36373 [0,1,0,0,1,0|1,1,0]=4 935 B10R1.7 C1CCCC(=O)C(CC1)Cl TS11339 [0,1,0,0,0,1|1,0,0]=3 936 B10R1.79 C1CC(CCCC(=O)C1)O TS06698 [0,1,0,0,0,1|1,0,0]=3 937 B10R1.161 C1CCCC(=NO)CCC1 TS06606 [0,1,0,0,0,1|1,0,1]=4 938 B10R1.161 C1CCCC(CCC1)C=O TS06515 [0,1,0,0,0,1|1,0,1]=4 939 B10R1.161 C1CCCN(CCC1)N=O TS06728 [0,1,0,0,0,1|2,0,0]=4 940 B10R1.161 COC1=CCCCCCC1 TS06514 [0,1,0,0,0,1|1,0,1]=4 941 B10R1.19 C1CCC(=O)N(CC1)CO TS40089 [0,2,0,0,0,0|0,0,0]=2 942 B10R1.19 C=CN1CCCCCC1=O TS37307 [0,2,0,0,0,0|0,0,0]=2 943 B10R1.275 CN1CCCC[C@@H](C1=O)N TS06730 [0,2,0,0,0,0|0,0,0]=2 944 B10R1.348 B(C1=CCCCCC1)(O)O TS37328 [0,2,0,0,0,0|1,0,1]=4 945 B10R1.348 C1CCCC(CC1)C(=O)O TS01402 [0,2,0,0,0,0|1,0,1]=4 946 B10R1.348 CC(=C1CCCCCC1)C TS37233 [0,2,0,0,0,0|2,0,0]=4 947 B8R1.8 C1CC(NC1)CCO TS91871 [0,0,1,1,0,0|0,0,2]=4 948 B8R1.8 C1CCC(C1)CCN TS00978 [0,0,1,1,0,0|1,0,1]=4 949 B8R1.8 C1CCC(C1)N=C=O TS59760 [0,0,1,1,0,0|0,0,2]=4 950 B8R1.8 COCC1CCCN1 TS32164 [0,0,1,1,0,0|2,0,0]=4 951 B8R1.8 COC[C@@H]1CCCN1 TS32165 [0,0,1,1,0,0|2,0,0]=4 952 B8R1.8 COC[C@H]1CCCN1 TS32345 [0,0,1,1,0,0|2,0,0]=4 953 B8R1.11 C1CC(=O)N(C1)CO TS04519 [0,0,1,1,0,0|2,0,0]=4 954 B8R1.11 C1CC(C(=O)C1)C#N TS64878 [0,0,1,1,0,0|0,0,2]=4 955 B8R1.11 CCC1CCCC1=O TS31928 [0,0,1,1,0,0|1,0,0]=3 956 B8R1.11 CCN1CCCC1=O TS32015 [0,0,1,1,0,0|2,0,0]=4 957 B8R1.11 CN1CCC[C@@H]1CN TS88307 [0,0,1,1,0,0|2,0,0]=4 958 B8R1.11 CN1CCC[C@H]1CN TS91663 [0,0,1,1,0,0|2,0,0]=4 959 B8R1.12 C1C[C@H]([C@@H]1CN)CN TS80941 [0,0,1,1,0,0|1,0,1]=4 960 B8R1.17 CCC1C(N1)OC=O TS04531 [0,0,1,1,0,0|2,0,0]=4 961 B8R1.49 C1CCCNCCC1 TS32033 [0,0,1,1,0,0|1,0,1]=4 962 B8R1.1 C1C(CNC1=O)CN TS85675 [0,0,1,1,0,0|1,0,0]=3 963 B8R1.1 C1C(CNC1=O)CO TS89668 [0,0,1,1,0,0|1,0,0]=3 964 B8R1.1 C1C(OC(=O)N1)CCl TS06020 [0,0,1,1,0,0|2,0,0]=4 965 B8R1.1 C1CC(=O)NC1CN TS32080 [0,0,1,1,0,0|1,0,0]=3 966 B8R1.1 C1CC(=O)N[C@@H]1CBr TS46367 [0,0,1,1,0,0|1,0,0]=3 967 B8R1.1 C1CC(=O)N[C@@H]1CN TS32077 [0,0,1,1,0,0|1,0,0]=3 968 B8R1.1 C1CC(=O)N[C@@H]1CO TS00316 [0,0,1,1,0,0|1,0,0]=3 969 B8R1.1 C1CC(=O)N[C@H]1CBr TS46368 [0,0,1,1,0,0|1,0,0]=3 970 B8R1.1 C1CC(=O)N[C@H]1CN TS32073 [0,0,1,1,0,0|1,0,0]=3 971 B8R1.1 C1CC(=O)O[C@@H]1CO TS00317 [0,0,1,1,0,0|2,0,0]=4 972 B8R1.1 C1CC(=O)O[C@H]1CO TS39983 [0,0,1,1,0,0|2,0,0]=4 973 B8R1.1 C1[C@@H](CNC1=O)CN TS92937 [0,0,1,1,0,0|1,0,0]=3 974 B8R1.1 C1[C@H](CNC1=O)CN TS92288 [0,0,1,1,0,0|1,0,0]=3 975 B8R1.1 CCC1=NC(CN1)C TS04327 [0,0,1,1,0,0|1,0,0]=3 976 B8R1.1 CCC1CCC(=O)C1 TS31941 [0,0,1,1,0,0|1,0,0]=3 977 B8R1.1 CCC1CCC(=O)O1 TS04438 [0,0,1,1,0,0|1,0,0]=3 978 B8R1.38 C1CC(C1)C(=O)NN TS90294 [0,0,1,1,0,0|1,0,0]=3 979 B8R1.38 COC(=O)C1CCC1 TS32060 [0,0,1,1,0,0|1,0,0]=3 980 B8R1.38 COC(=O)C1CCN1 TS01748 [0,0,1,1,0,0|2,0,0]=4 981 B8R1.38 COC(=O)C1CNC1 TS41065 [0,0,1,1,0,0|2,0,0]=4 982 B8R1.38 COC(=O)[C@@H]1CCN1 TS86979 [0,0,1,1,0,0|2,0,0]=4 983 B8R1.38 COC(=O)[C@H]1CCN1 TS91415 [0,0,1,1,0,0|2,0,0]=4 984 B8R1.40 C1CC1NC(=O)CCl TS36794 [0,0,1,1,0,0|1,0,0]=3 985 B8R1.40 C1CC1NC(=O)CN TS09977 [0,0,1,1,0,0|1,0,0]=3 986 B8R1.40 C1CC1NC(=O)CN TS32079 [0,0,1,1,0,0|1,0,0]=3 987 B8R1.40 COC(=O)CC1CC1 TS88176 [0,0,1,1,0,0|1,0,0]=3 988 B8R1.40 COC(=O)NC1CC1 TS04530 [0,0,1,1,0,0|1,0,0]=3 989 B8R1.50 CC1C(=NNC1=O)C TS04293 [0,0,1,1,0,0|1,0,1]=4 990 B8R1.50 CC1CCC(=C1C)C TS31847 [0,0,1,1,0,0|2,0,0]=4 991 B8R1.50 CC1CCC(=O)N1C TS04391 [0,0,1,1,0,0|0,0,0]=2 992 B8R1.50 CN1C(=O)CCC1=O TS04372 [0,0,1,1,0,0|1,0,1]=4 993 B8R1.50 CN1C(CCC1=O)O TS04533 [0,0,1,1,0,0|1,0,0]=3 994 B8R1.6 CCCC1CC(=O)N1 TS32013 [0,0,1,1,0,0|0,0,0]=2 995 B8R1.7 C1CC(NC1)C(=O)N TS39860 [0,0,1,1,0,0|1,0,0]=3 996 B8R1.7 C1CC(NC1)C(=O)O TS04527 [0,0,1,1,0,0|2,0,0]=4 997 B8R1.7 C1CC(OC1)C(=O)O TS65650 [0,0,1,1,0,0|2,0,0]=4 998 B8R1.7 C1CCC(C1)C(=O)Cl TS36732 [0,0,1,1,0,0|1,0,0]=3 999 B8R1.7 C1CCC(C1)C(=O)N TS04395 [0,0,1,1,0,0|0,0,0]=2 1000 B8R1.7 C1CCC(C1)C(=O)O TS55824 [0,0,1,1,0,0|1,0,0]=3 1001 B8R1.7 C1CCN(C1)C(=N)N TS17769 [0,0,1,1,0,0|2,0,0]=4 1002 B8R1.7 C1CCN(C1)C(=N)N TS26633 [0,0,1,1,0,0|2,0,0]=4 1003 B8R1.7 C1CCN(C1)C(=O)Cl TS08208 [0,0,1,1,0,0|1,0,0]=3 1004 B8R1.7 C1CCN(C1)C(=S)N TS05578 [0,0,1,1,0,0|1,1,0]=4 1005 B8R1.7 C1CCN(C1)C(=S)S TS42816 [0,0,1,1,0,0|1,1,0]=4 1006 B8R1.7 C1CNCC1C(=O)N TS32074 [0,0,1,1,0,0|1,0,0]=3 1007 B8R1.7 C1CNCC1C(=O)N TS85947 [0,0,1,1,0,0|1,0,0]=3 1008 B8R1.7 C1CNCC1C(=O)O TS22734 [0,0,1,1,0,0|2,0,0]=4 1009 B8R1.7 C1CNC[C@@H]1C(=O)N TS86748 [0,0,1,1,0,0|1,0,0]=3 1010 B8R1.7 C1CNC[C@@H]1C(=O)O TS04526 [0,0,1,1,0,0|2,0,0]=4 1011 B8R1.7 C1CNC[C@H]1C(=O)N TS87104 [0,0,1,1,0,0|1,0,0]=3 1012 B8R1.7 C1CNC[C@H]1C(=O)N TS90204 [0,0,1,1,0,0|1,0,0]=3 1013 B8R1.7 C1CNC[C@H]1C(=O)O TS85658 [0,0,1,1,0,0|2,0,0]=4 1014 B8R1.7 C1COCC1C(=O)N TS88172 [0,0,1,1,0,0|1,0,0]=3 1015 B8R1.7 C1COCC1C(=O)O TS59430 [0,0,1,1,0,0|2,0,0]=4 1016 B8R1.7 C1COC[C@@H]1C(=O)O TS08087 [0,0,1,1,0,0|2,0,0]=4 1017 B8R1.7 C1COC[C@H]1C(=O)O TS32191 [0,0,1,1,0,0|2,0,0]=4 1018 B8R1.7 C1C[C@@H](NC1)C(=O)N TS09976 [0,0,1,1,0,0|1,0,0]=3 1019 B8R1.7 C1C[C@@H](NC1)C(=O)N TS39557 [0,0,1,1,0,0|1,0,0]=3 1020 B8R1.7 C1C[C@@H](NC1)C(=O)O TS39558 [0,0,1,1,0,0|2,0,0]=4 1021 B8R1.7 C1C[C@@H](NC1)C(=O)O TS93713 [0,0,1,1,0,0|2,0,0]=4 1022 B8R1.7 C1C[C@@H](OC1)C(=O)O TS46582 [0,0,1,1,0,0|2,0,0]=4 1023 B8R1.7 C1C[C@H](NC1)C(=O)N TS01534 [0,0,1,1,0,0|1,0,0]=3 1024 B8R1.7 C1C[C@H](NC1)C(=O)N TS64920 [0,0,1,1,0,0|1,0,0]=3 1025 B8R1.7 C1C[C@H](NC1)C(=O)O TS07866 [0,0,1,1,0,0|2,0,0]=4 1026 B8R1.7 C1C[C@H](OC1)C(=O)O TS08647 [0,0,1,1,0,0|2,0,0]=4 1027 B8R1.7 CC(=O)C1=CCCC1 TS31835 [0,0,1,1,0,0|1,0,1]=4 1028 B8R1.7 CC(=O)C1CCCC1 TS46943 [0,0,1,1,0,0|1,0,0]=3 1029 B8R1.7 CC(=O)C1CCCC1 TS52586 [0,0,1,1,0,0|1,0,0]=3 1030 B8R1.7 CC(=O)N1CCCC1 TS32010 [0,0,1,1,0,0|0,0,0]=2 1031 B8R1.34 C1C(CN1)CC(=O)O TS87434 [0,0,1,1,0,0|2,0,0]=4 1032 B8R1.34 C1C(CO1)CC(=O)O TS86855 [0,0,1,1,0,0|2,0,0]=4 1033 B8R1.34 C1CC(C1)CC(=O)O TS32065 [0,0,1,1,0,0|1,0,0]=3 1034 B8R1.34 CC(=O)NC1CNC1 TS88876 [0,0,1,1,0,0|1,0,0]=3 1035 B8R1.34 CC(=O)SC1CNC1 TS87916 [0,0,1,1,0,0|2,0,0]=4 1036 B8R1.35 C1CC1CCC(=O)O TS04433 [0,0,1,1,0,0|1,0,0]=3 1037 B8R1.35 C1CC1CNC(=S)N TS05579 [0,0,1,1,0,0|1,1,0]=4 1038 B8R1.18 CC1CC(=O)CC1C TS31939 [0,0,1,1,0,0|1,0,0]=3 1039 B8R1.18 C[C@@H]1CC(=O)C[C@@H]1C TS04316 [0,0,1,1,0,0|1,0,0]=3 1040 B8R1.37 CCOC(=O)C1CC1 TS32071 [0,0,1,1,0,0|1,0,0]=3 1041 B8R1.37 CCOC(=O)C1CO1 TS01910 [0,0,1,1,0,0|2,0,0]=4 1042 B8R1.37 CCOC(=O)[C@H]1CO1 TS32189 [0,0,1,1,0,0|2,0,0]=4 1043 B8R2.22 C1CC2C1CNC2 TS88667 [1,0,0,1,0,0|0,0,1]=3 1044 B8R2.25 C1CCC2C(C1)O2 TS34560 [1,0,0,1,0,0|1,0,1]=4 1045 B8R2.25 C1CCC2C(C1)S2 TS04498 [1,0,0,1,0,0|1,0,1]=4 1046 B8R2.25 C1CCC2CC2C1 TS03721 [1,0,0,1,0,0|1,0,1]=4 1047 B8R2.25 C1CNCC2C1C2 TS89727 [1,0,0,1,0,0|0,0,1]=3 1048 B8R2.18 C1C2C1CC(C2)N TS88361 [0,0,0,1,1,0|1,0,1]=4 1049 B8R2.34 C1CC2CC1CN2 TS31404 [0,0,0,1,1,0|1,0,1]=4 1050 B8R2.34 C1CC2CCC1N2 TS59525 [0,0,0,1,1,0|1,0,1]=4 1051 B8R2.34 C1CC2CCC1N2 TS87984 [0,0,0,1,1,0|1,0,1]=4 1052 B8R2.34 C1CC2CCC1O2 TS31431 [0,0,0,1,1,0|0,0,2]=4 1053 B10R2.2 C1C=CC2C1CC(=O)N2 TS92078 [0,0,0,1,0,1|0,0,1]=3 1054 B10R2.2 C1C=C[C@@H]2[C@H]1OC(=O)C2 TS32603 [0,0,0,1,0,1|1,0,1]=4 1055 B10R2.2 C1C=C[C@H]2[C@@H]1OC(=O)C2 TS32607 [0,0,0,1,0,1|1,0,1]=4 1056 B10R2.2 C1C=C[C@H]2[C@@H]1OC(=O)C2 TS93606 [0,0,0,1,0,1|1,0,1]=4 1057 B10R2.32 C1CC(=O)C2C1CNC2 TS42363 [0,0,0,1,0,1|1,0,0]=3 1058 B10R2.32 C1CC2C(=O)CCN2C1 TS08530 [0,0,0,1,0,1|1,0,0]=3 1059 B10R2.32 C1CN[C@H]2[C@@H]1CNC2=O TS90781 [0,0,0,1,0,1|0,0,0]=2 1060 B10R2.320 C1C=CCC2C1C(=O)N2 TS32561 [0,0,0,1,0,1|0,0,1]=3 1061 B10R2.178 C1CC2C(=O)CCC1N2 TS92148 [0,1,0,1,0,0|1,0,0]=3 1062 B10R2.42 C1CC2C1C(=O)OC2=O TS39413 [0,1,0,1,0,0|1,0,1]=4 1063 B10R2.71 C1CC2CC(=O)CC1O2 TS92514 [0,1,0,1,0,0|1,0,0]=3 1064 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 TS01613 [0,1,0,1,0,0|1,0,0]=3 1065 B10R2.71 C1C[C@H]2CC(=O)C[C@@H]1N2 TS01614 [0,1,0,1,0,0|1,0,0]=3 1066 B6R1.1 C1CC=COC1 TS02542 [1,0,0,0,1,0|1,0,1]=4 1067 B6R1.1 C1CCC=CC1 TS34559 [1,0,0,0,1,0|0,0,1]=3 1068 B6R1.1 C1CCCCC1 TS71717 [1,0,0,0,1,0|0,0,1]=3 1069 B6R1.1 C1CCNCC1 TS03510 [1,0,0,0,1,0|0,0,0]=2 1070 B6R1.1 C1CCNCC1 TS04882 [1,0,0,0,1,0|0,0,0]=2 1071 B6R1.1 C1CCNCC1 TS10261 [1,0,0,0,1,0|0,0,0]=2 1072 B6R1.1 C1CCNNC1 TS42014 [1,0,0,0,1,0|1,0,0]=3 1073 B6R1.1 C1CCOCC1 TS26775 [1,0,0,0,1,0|1,0,0]=3 1074 B6R1.1 C1CCOCC1 TS71756 [1,0,0,0,1,0|1,0,0]=3 1075 B6R1.1 C1CCSCC1 TS03983 [1,0,0,0,1,0|1,0,0]=3 1076 B6R1.1 C1CNC=NC1 TS71709 [1,0,0,0,1,0|1,0,0]=3 1077 B6R1.1 C1CNCC=C1 TS86919 [1,0,0,0,1,0|0,0,2]=4 1078 B6R1.1 C1CNCCN1 TS03538 [1,0,0,0,1,0|1,0,0]=3 1079 B6R1.1 C1CNCCN1 TS15278 [1,0,0,0,1,0|1,0,0]=3 1080 B6R1.1 C1CNCCN1 TS42015 [1,0,0,0,1,0|1,0,0]=3 1081 B6R1.1 C1COCCN1 TS03564 [1,0,0,0,1,0|1,0,0]=3 1082 B6R1.1 C1COCCN1 TS04991 [1,0,0,0,1,0|1,0,0]=3 1083 B6R1.1 C1COCCO1 TS27395 [1,0,0,0,1,0|2,0,0]=4 1084 B6R1.1 C1COCCO1 TS27687 [1,0,0,0,1,0|2,0,0]=4 1085 B6R1.1 C1COCCO1 TS46811 [1,0,0,0,1,0|2,0,0]=4 1086 B6R1.1 C1CSCCN1 TS00278 [1,0,0,0,1,0|1,0,0]=3 1087 B6R1.1 C1CSCCN1 TS37319 [1,0,0,0,1,0|1,0,0]=3 1088 B6R1.1 C1CSCCO1 TS31683 [1,0,0,0,1,0|2,0,0]=4 1089 B6R1.1 C1CSCCS1 TS32441 [1,0,0,0,1,0|2,0,0]=4 1090 B6R1.1 C1CSCSC1 TS59890 [1,0,0,0,1,0|2,0,0]=4 1091 B6R1.1 C1NCNCN1 TS71769 [1,0,0,0,1,0|2,0,0]=4 1092 B6R1.2 C1C(=O)NCN1 TS32972 [0,0,0,0,2,0|1,0,0]=3 1093 B6R1.2 C1C=CC(=O)N1 TS71697 [0,0,0,0,2,0|0,0,2]=4 1094 B6R1.2 C1C=CCC1=O TS03462 [0,0,0,0,2,0|0,0,2]=4 1095 B6R1.2 C1CC(=N)SC1 TS03910 [0,0,0,0,2,0|2,0,0]=4 1096 B6R1.2 C1CC(=NC1)N TS04838 [0,0,0,0,2,0|1,0,1]=4 1097 B6R1.2 C1CC(=O)C=C1 TS00977 [0,0,0,0,2,0|0,0,2]=4 1098 B6R1.2 C1CC(=O)NC1 TS39938 [0,0,0,0,2,0|0,0,0]=2 1099 B6R1.2 C1CC(=O)NC1 TS63365 [0,0,0,0,2,0|0,0,0]=2 1100 B6R1.2 C1CC(=O)SC1 TS31607 [0,0,0,0,2,0|1,0,0]=3 1101 B6R1.2 C1CC(=S)NC1 TS03912 [0,0,0,0,2,0|0,1,0]=3 1102 B6R1.2 C1CC=C(C1)Cl TS31619 [0,0,0,0,2,0|1,0,1]=4 1103 B6R1.2 C1CCC(=O)C1 TS03493 [0,0,0,0,2,0|0,0,0]=2 1104 B6R1.2 C1CCC(C1)Br TS55827 [0,0,0,0,2,0|1,0,1]=4 1105 B6R1.2 C1CCC(C1)Br TS68904 [0,0,0,0,2,0|1,0,1]=4 1106 B6R1.2 C1CCC(C1)Cl TS04055 [0,0,0,0,2,0|1,0,1]=4 1107 B6R1.2 C1CCC(C1)I TS18162 [0,0,0,0,2,0|1,0,1]=4 1108 B6R1.2 C1CCC(C1)N TS34563 [0,0,0,0,2,0|1,0,1]=4 1109 B6R1.2 C1CCC(C1)O TS71762 [0,0,0,0,2,0|0,0,2]=4 1110 B6R1.2 C1CCC(C1)S TS03980 [0,0,0,0,2,0|0,1,1]=4 1111 B6R1.2 C1CCC(C1)[SiH3] TS03890 [0,0,0,0,2,0|1,0,1]=4 1112 B6R1.2 C1CCC(C1)[Zn+] TS44590 [0,0,0,0,2,0|1,0,1]=4 1113 B6R1.2 C1CCN(C1)N TS03537 [0,0,0,0,2,0|2,0,0]=4 1114 B6R1.2 C1CCN(C1)N TS32538 [0,0,0,0,2,0|2,0,0]=4 1115 B6R1.2 C1CCS(=O)C1 TS31677 [0,0,0,0,2,0|1,0,0]=3 1116 B6R1.2 C1CNC(=O)N1 TS93146 [0,0,0,0,2,0|1,0,0]=3 1117 B6R1.2 C1CNC(=S)N1 TS31609 [0,0,0,0,2,0|1,1,0]=4 1118 B6R1.2 C1CNCC1=O TS88446 [0,0,0,0,2,0|1,0,0]=3 1119 B6R1.2 C1CNNC1=O TS04946 [0,0,0,0,2,0|1,0,0]=3 1120 B6R1.2 C1COC(=O)N1 TS03552 [0,0,0,0,2,0|1,0,0]=3 1121 B6R1.2 C1COC(=O)O1 TS71793 [0,0,0,0,2,0|2,0,0]=4 1122 B6R1.2 C1COC(=S)N1 TS03998 [0,0,0,0,2,0|1,1,0]=4 1123 B6R1.2 C1COCC1=O TS01440 [0,0,0,0,2,0|1,0,0]=3 1124 B6R1.2 C1CSC(=O)N1 TS03996 [0,0,0,0,2,0|1,0,0]=3 1125 B6R1.2 C1CSCC1=O TS81072 [0,0,0,0,2,0|1,0,0]=3 1126 B6R1.2 CC1=CCCC1 TS71683 [0,0,0,0,2,0|1,0,1]=4 1127 B6R1.2 CC1=NCCC1 TS32917 [0,0,0,0,2,0|1,0,1]=4 1128 B6R1.2 CC1CCCC1 TS22155 [0,0,0,0,2,0|1,0,1]=4 1129 B6R1.2 CC1CCCC1 TS22325 [0,0,0,0,2,0|1,0,1]=4 1130 B6R1.2 CC1CCCC1 TS31194 [0,0,0,0,2,0|1,0,1]=4 1131 B6R1.2 CC1CCCC1 TS69413 [0,0,0,0,2,0|1,0,1]=4 1132 B6R1.2 CC1CCCC1 TS77214 [0,0,0,0,2,0|1,0,1]=4 1133 B6R1.2 CC1CCCC1 TS77590 [0,0,0,0,2,0|1,0,1]=4 1134 B6R1.2 CC1CCCN1 TS03512 [0,0,0,0,2,0|1,0,1]=4 1135 B6R1.2 CN1CCCC1 TS85196 [0,0,0,0,2,0|2,0,0]=4 1136 B6R1.2 C[C@H]1CCCN1 TS08127 [0,0,0,0,2,0|1,0,1]=4 1137 B6R1.2 C[C@H]1CCCN1 TS59864 [0,0,0,0,2,0|1,0,1]=4