0 B7R0.7 C=C(OCC)OCC IVSA07713 [0,0,0,0,0,0|2,0,1]=3 1 B7R0.7 C=C=CC(=O)OCC HR108306 [0,0,0,0,0,0|0,0,2]=2 2 B7R0.7 C=COC(=O)\C=C\C HR129020 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.7 CC#CC(=O)OCC HR127977 [0,0,0,0,0,0|0,0,2]=2 4 B7R0.7 CCCC(=O)OCCl HR123267 [0,0,0,0,0,0|1,0,2]=3 5 B7R0.7 CCCC(=S)OCC HR130469 [0,0,0,0,0,0|0,1,2]=3 6 B7R0.7 CCCC(=S)OCC HR143387 [0,0,0,0,0,0|0,1,2]=3 7 B7R0.7 CCNC(=O)NCC HR128759 [0,0,0,0,0,0|2,0,1]=3 8 B7R0.7 CCNC(=S)NCC HR122808 [0,0,0,0,0,0|2,1,1]=4 9 B7R0.7 CCOC(=O)CCBr HR132284 [0,0,0,0,0,0|1,0,2]=3 10 B7R0.7 CCOC(=O)CCCl HR147079 [0,0,0,0,0,0|1,0,2]=3 11 B7R0.7 CCOC(=O)CCI HR101944 [0,0,0,0,0,0|1,0,2]=3 12 B7R0.7 CCOC(=O)CCN HR129110 [0,0,0,0,0,0|1,0,2]=3 13 B7R0.7 CCOC(=O)CCS HR135162 [0,0,0,0,0,0|1,0,2]=3 14 B7R0.7 CCOC(=O)CNC HR138266 [0,0,0,0,0,0|1,0,1]=2 15 B7R0.7 CCOC(=O)CNN HR128003 [0,0,0,0,0,0|2,0,1]=3 16 B7R0.7 CCOC(=O)COC HR123443 [0,0,0,0,0,0|1,0,1]=2 17 B7R0.7 CCOC(=O)N=C=S FISA07802 [0,0,0,0,0,0|2,0,1]=3 18 B7R0.7 CCOC(=O)OCCl HR138904 [0,0,0,0,0,0|2,0,1]=3 19 B7R0.7 CCOC(=O)\C=C\I HR11670 [0,0,0,0,0,0|1,0,0]=1 20 B7R0.7 CCOC(C)OCC HR147572 [0,0,0,0,0,0|2,0,2]=4 21 B7R0.7 CCOC([SiH3])OCC HR133297 [0,0,0,0,0,0|2,0,2]=4 22 B7R0.7 CCOP(C)OCC HR102784 [0,0,0,0,0,0|3,0,1]=4 23 B7R0.7 CCOP(Cl)OCC HR111572 [0,0,0,0,0,0|3,0,1]=4 24 B7R0.7 CCOS(=O)OCC HR101466 [0,0,0,0,0,0|2,0,1]=3 25 B7R0.7 CCO[PH](=O)OCC HR109664 [0,0,0,0,0,0|2,0,1]=3 26 B7R0.7 CCO\C(C)=N/C#N HR139602 [0,0,0,0,0,0|3,0,1]=4 27 B7R0.7 [C-]#[N+]CC(=O)OCC HR146955 [0,0,0,0,0,0|1,0,2]=3 28 B6R0.1 C#CC(=O)NCC HR116239 [1,0,0,0,0,0|1,0,2]=4 29 B6R0.1 C#CC(=O)OCC HR132600 [1,0,0,0,0,0|0,0,2]=3 30 B6R0.1 C=CC(=O)CCC HR100488 [1,0,0,0,0,0|1,0,0]=2 31 B6R0.1 C=CC(=O)NCO HR132117 [1,0,0,0,0,0|2,0,0]=3 32 B6R0.1 C=CC(O)CCC HR128085 [1,0,0,0,0,0|1,0,2]=4 33 B6R0.1 C=COC(=O)CC HR145643 [1,0,0,0,0,0|1,0,1]=3 34 B6R0.1 CC#CC(=O)OC HR141249 [1,0,0,0,0,0|0,0,2]=3 35 B6R0.1 CCC(=O)CC#N HR104780 [1,0,0,0,0,0|1,0,2]=4 36 B6R0.1 CCC(=O)CSC HR123442 [1,0,0,0,0,0|1,0,1]=3 37 B6R0.1 CCCC(=O)NN HR113429 [1,0,0,0,0,0|3,0,0]=4 38 B6R0.1 CCCC(=O)SC HR136352 [1,0,0,0,0,0|2,0,0]=3 39 B6R0.1 CCCC(=S)OC HR122832 [1,0,0,0,0,0|0,1,2]=4 40 B6R0.1 CCOC(=N)CCl HR112327 [1,0,0,0,0,0|2,0,1]=4 41 B6R0.1 CCOC(=O)C=O HR130872 [1,0,0,0,0,0|1,0,0]=2 42 B6R0.1 CCOC(=O)CBr AMJB00601 [1,0,0,0,0,0|1,0,1]=3 43 B6R0.1 CCOC(=O)CCl HR147617 [1,0,0,0,0,0|1,0,1]=3 44 B6R0.1 CCOC(=O)CN HR134743 [1,0,0,0,0,0|1,0,1]=3 45 B6R0.1 CCOC(=O)CO HR127384 [1,0,0,0,0,0|1,0,1]=3 46 B6R0.1 CCOC(=O)CS HR136673 [1,0,0,0,0,0|1,0,1]=3 47 B6R0.1 CCOC(=O)NN HR102667 [1,0,0,0,0,0|2,0,0]=3 48 B6R0.1 CCOC(=O)NN HR138962 [1,0,0,0,0,0|2,0,0]=3 49 B6R0.1 CCOC(=O)OC HR138173 [1,0,0,0,0,0|1,0,0]=2 50 B6R0.1 CCOC(=S)S[Na] HR127866 [1,0,0,0,0,0|2,1,0]=4 51 B6R0.1 CCO\C(C)=N/O SIJL01004 [1,0,0,0,0,0|3,0,0]=4 52 B6R0.1 CCSC(=O)CC HR138214 [1,0,0,0,0,0|0,1,1]=3 53 B6R0.1 CNCC(=O)OC HR130436 [1,0,0,0,0,0|1,0,1]=3 54 B6R0.1 COC(=O)CC#N OLSA05202 [1,0,0,0,0,0|1,0,2]=4 55 B6R0.1 COC(=O)CCBr HR133552 [1,0,0,0,0,0|1,0,2]=4 56 B6R0.1 COC(=O)CCN HR135038 [1,0,0,0,0,0|1,0,2]=4 57 B6R0.1 COC(=O)CCS HR133169 [1,0,0,0,0,0|1,0,2]=4 58 B6R0.1 COC(=O)N=C=O HR121998 [1,0,0,0,0,0|2,0,1]=4 59 B6R0.1 COC(=O)NC#N HR128405 [1,0,0,0,0,0|2,0,1]=4 60 B6R0.1 COC(=O)\C=C\N HR109927 [1,0,0,0,0,0|1,0,0]=2 61 B6R0.1 COCC(=O)OC HR147666 [1,0,0,0,0,0|1,0,1]=3 62 B6R0.1 C\C=C\C(=O)CC HR108073 [1,0,0,0,0,0|0,0,0]=1 63 B6R0.1 [C-]#[N+]CC(=O)OC HR110956 [1,0,0,0,0,0|1,0,2]=4 64 B6R0.6 CCC\C=C\C=O HR127670 [1,0,0,0,0,0|2,0,0]=3 65 B6R0.6 CCC\C=C\CO HR127397 [1,0,0,0,0,0|2,0,1]=4 66 B6R0.6 CCOCOCC HR147607 [1,0,0,0,0,0|1,0,2]=4 67 B6R0.6 CCO[Mg]OCC HR128992 [1,0,0,0,0,0|2,0,1]=4 68 B6R0.6 CCO[SiH2]OCC HR117502 [1,0,0,0,0,0|1,1,1]=4 69 B6R0.6 CCO\C=C\C#N HR109030 [1,0,0,0,0,0|1,0,1]=3 70 B6R0.6 CC\C=C\CCO HR100849 [1,0,0,0,0,0|2,0,1]=4 71 B6R0.6 CC\C=C\CCO HR130305 [1,0,0,0,0,0|2,0,1]=4 72 B6R0.6 C\C=C\C=C\C=O HR122495 [1,0,0,0,0,0|2,0,1]=4 73 B6R0.6 C\C=C\C=C\CO HR126927 [1,0,0,0,0,0|2,0,0]=3 74 B6R0.6 C\C=C\CCCC HR145495 [1,0,0,0,0,0|1,0,1]=3 75 B6R0.6 C\C=C\CCCO HR110400 [1,0,0,0,0,0|2,0,1]=4 76 B6R0.6 C\C=C\CCCO HR111291 [1,0,0,0,0,0|2,0,1]=4 77 B8R0.1 CCCC(=O)OCSC HR128277 [0,1,0,0,0,0|0,0,2]=3 78 B8R0.1 CCCOC(=O)CCS HR117505 [0,1,0,0,0,0|1,0,2]=4 79 B8R0.1 CCOC(=O)CCCBr HR133499 [0,1,0,0,0,0|0,0,2]=3 80 B8R0.1 CCOC(=O)CCCN HR142861 [0,1,0,0,0,0|0,0,2]=3 81 B8R0.1 CCOC(=O)CCC[Zn+] HR140860 [0,1,0,0,0,0|0,0,2]=3 82 B8R0.1 CCOC(=O)CN=C=O DASA02404 [0,1,0,0,0,0|1,0,2]=4 83 B8R0.1 CCOC(=O)CN=C=S HR127339 [0,1,0,0,0,0|1,0,2]=4 84 B8R0.1 CCOC(=O)CNC=O HR110895 [0,1,0,0,0,0|1,0,1]=3 85 B8R0.1 CCOC(=O)NCCCl HR139857 [0,1,0,0,0,0|1,0,1]=3 86 B8R0.1 CCOC(=O)\C=C\C#N HR136519 [0,1,0,0,0,0|0,0,1]=2 87 B8R0.1 CCOC(=O)\C=C\C=O HR120200 [0,1,0,0,0,0|0,0,1]=2 88 B8R0.1 CCOC(=O)\C=C\CBr HR131502 [0,1,0,0,0,0|0,0,0]=1 89 B8R0.1 C\C=C\C(=O)CCCC HR108746 [0,1,0,0,0,0|1,0,0]=2 90 B8R0.1 C\C=C\CC(=O)OCC HR142218 [0,1,0,0,0,0|0,0,0]=1 91 B8R0.3 C=C(C#N)C(=O)OCC HR106324 [0,1,0,0,0,0|1,0,1]=3 92 B8R0.3 C=C(CBr)C(=O)OCC HR109438 [0,1,0,0,0,0|1,0,1]=3 93 B8R0.3 C=C(CCl)C(=O)OCC HR112979 [0,1,0,0,0,0|1,0,1]=3 94 B8R0.3 C=C(CO)C(=O)OCC HR110396 [0,1,0,0,0,0|1,0,1]=3 95 B8R0.3 CCOC(=O)C(=O)CBr NSJB02101 [0,1,0,0,0,0|1,0,1]=3 96 B8R0.3 CCOC(=O)C(=O)CC HR105760 [0,1,0,0,0,0|0,0,1]=2 97 B8R0.3 CCOC(=O)C(Br)CBr HR129498 [0,1,0,0,0,0|1,0,2]=4 98 B8R0.3 CCOC(=O)C(Br)CC HR135114 [0,1,0,0,0,0|0,0,2]=3 99 B8R0.3 CCOC(=O)C(C)C#N HR121152 [0,1,0,0,0,0|1,0,2]=4 100 B8R0.3 CCOC(=O)C(C)C=O HR112338 [0,1,0,0,0,0|1,0,1]=3 101 B8R0.3 CCOC(=O)C(C)CC HR129683 [0,1,0,0,0,0|0,0,2]=3 102 B8R0.3 CCOC(=O)C(C)CC HR138244 [0,1,0,0,0,0|0,0,2]=3 103 B8R0.3 CCOC(=O)C(C)CN HR117532 [0,1,0,0,0,0|1,0,2]=4 104 B8R0.3 CCOC(=O)C(Cl)CCl HR119653 [0,1,0,0,0,0|1,0,2]=4 105 B8R0.3 CCOC(=O)C(N)CC HR103721 [0,1,0,0,0,0|0,0,2]=3 106 B8R0.3 CCOC(=O)C(N)CO HR127361 [0,1,0,0,0,0|1,0,2]=4 107 B8R0.3 CCOC(=O)C(N)CO HR142606 [0,1,0,0,0,0|1,0,2]=4 108 B8R0.3 CCOC(=O)C(N)CS HR136050 [0,1,0,0,0,0|1,0,2]=4 109 B8R0.3 CCOC(=O)C(S)CC HR118467 [0,1,0,0,0,0|0,0,2]=3 110 B8R0.3 CCOC(=O)\C(Cl)=N/O HR130373 [0,1,0,0,0,0|2,0,0]=3 111 B8R0.3 C\C=C(\C)C(=O)OCC HR128479 [0,1,0,0,0,0|0,0,0]=1 112 B8R0.3 C\C=C\C(=O)C(C)CC HR137024 [0,1,0,0,0,0|1,0,0]=2 113 B8R0.5 CC(C)OC(=O)CC#N HR136578 [0,1,0,0,0,0|1,0,2]=4 114 B8R0.5 CC(C)OC(=O)CCS HR117191 [0,1,0,0,0,0|1,0,2]=4 115 B8R0.5 CC(C)OC(=O)OCCl HR138445 [0,1,0,0,0,0|2,0,1]=4 116 B8R0.5 CC(C)OC(=O)\C=C\I SESA05104 [0,1,0,0,0,0|1,0,0]=2 117 B8R0.5 CCNC(=S)OC(C)C HR109488 [0,1,0,0,0,0|1,1,1]=4 118 B8R0.5 CCOC(=O)C=C(C)C HR123584 [0,1,0,0,0,0|0,0,0]=1 119 B8R0.5 CCOC(=O)CC(=N)N HR111201 [0,1,0,0,0,0|1,0,1]=3 120 B8R0.5 CCOC(=O)CC(=O)Cl HR105395 [0,1,0,0,0,0|1,0,1]=3 121 B8R0.5 CCOC(=O)CC(=O)O HR125762 [0,1,0,0,0,0|1,0,1]=3 122 B8R0.5 CCOC(=O)CC(C)=O BRSA08315 [0,1,0,0,0,0|0,0,1]=2 123 B8R0.5 CCOC(=O)CC(C)=O HR134952 [0,1,0,0,0,0|0,0,1]=2 124 B8R0.5 CCOC(=O)CC(C)O HR103958 [0,1,0,0,0,0|0,0,2]=3 125 B8R0.5 CCOC(=O)CC(C)O HR115663 [0,1,0,0,0,0|0,0,2]=3 126 B8R0.5 CCOC(=O)CC(C)O HR126277 [0,1,0,0,0,0|0,0,2]=3 127 B8R0.5 CCOC(=O)CC(C)S HR114517 [0,1,0,0,0,0|0,0,2]=3 128 B8R0.5 CCOC(=O)CC(N)=O HR32504 [0,1,0,0,0,0|1,0,1]=3 129 B8R0.5 CCOC(=O)CC(N)=S HR111280 [0,1,0,0,0,0|1,0,1]=3 130 B8R0.5 CCOC(=O)CN(C)C HR135000 [0,1,0,0,0,0|1,0,1]=3 131 B8R0.5 CCOC(=O)C[N+](=O)[O-] HR125868 [0,1,0,0,0,0|2,0,1]=4 132 B8R0.5 CCOC(=O)OC(C)Cl HR127687 [0,1,0,0,0,0|1,0,1]=3 133 B8R0.5 CCOC(=O)OC(C)I HR138111 [0,1,0,0,0,0|1,0,1]=3 134 B8R0.5 CCOC(=O)\C=C(/C)N HR137824 [0,1,0,0,0,0|0,0,0]=1 135 B8R0.5 CCOC(=O)\C=C(\C)N HR122434 [0,1,0,0,0,0|0,0,0]=1 136 B8R0.5 CCOC(C)OC(C)=O HR121743 [0,1,0,0,0,0|2,0,1]=4 137 B8R0.5 COCC(=O)CC(C)=O HR134533 [0,1,0,0,0,0|2,0,1]=4 138 B8R0.30 CCOP(C)(=O)OCC HR143627 [0,1,0,0,0,0|2,0,1]=4 139 B8R1.4 CC1=CC(=O)CCC1 HR142178 [0,0,0,1,0,0|1,0,0]=2 140 B8R1.4 CC1=CC(=O)NN=C1 HR11016 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.4 CC1CCCC(=O)C1 HR143817 [0,0,0,1,0,0|1,0,2]=4 142 B8R1.4 CN1CCCC(=O)C1 HR120165 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.4 CN1CCNC(=O)C1 HR119613 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.4 NC1=CC(=O)CCC1 HR114131 [0,0,0,1,0,0|2,0,0]=3 145 B8R1.4 O=C1CCCC(=O)C1 HR129932 [0,0,0,1,0,0|2,0,1]=4 146 B8R1.4 O=C1CCCC(=O)N1 HR139848 [0,0,0,1,0,0|3,0,0]=4 147 B8R1.4 O=C1CCCC(=O)O1 ZOCQ02609 [0,0,0,1,0,0|3,0,0]=4 148 B8R1.4 O=C1CCNC(=O)C1 HR127778 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.4 O=C1CCNC(=O)N1 HR117246 [0,0,0,1,0,0|3,0,0]=4 150 B8R1.8 CCCC1=CSC=C1 HR111780 [0,0,0,1,0,0|3,0,0]=4 151 B8R1.8 CCCc1cccs1 HR132275 [0,0,0,1,0,0|1,1,1]=4 152 B8R1.8 CCOC1=NC=CS1 HR132829 [0,0,0,1,0,0|1,1,1]=4 153 B8R1.11 C=CN1CCCC1=O HR130278 [0,0,0,1,0,0|2,0,1]=4 154 B8R1.11 C=CN1CCCC1=O HR131788 [0,0,0,1,0,0|2,0,1]=4 155 B8R1.11 CCN1CCCC1=O HR134739 [0,0,0,1,0,0|1,0,2]=4 156 B8R1.11 CCN1N=CC=C1N HR136975 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.18 CC1=C(Br)OC(Br)=C1 HR117895 [0,0,0,1,0,0|2,0,1]=4 158 B8R1.18 CC1=C(C)OC(=O)O1 HR138965 [0,0,0,1,0,0|1,0,1]=3 159 B8R1.18 CC1=CC(=O)C(C)O1 HR125615 [0,0,0,1,0,0|2,0,0]=3 160 B8R1.18 CC1=CC(=O)OC1=O HR122406 [0,0,0,1,0,0|1,0,1]=3 161 B8R1.18 CC1=CC(=O)OC1O HR135109 [0,0,0,1,0,0|1,0,0]=2 162 B8R1.18 CC1=CC(Br)=NN1C HR108743 [0,0,0,1,0,0|3,0,0]=4 163 B8R1.18 CC1=CC(C)=C(C)S1 HR106599 [0,0,0,1,0,0|1,1,1]=4 164 B8R1.18 CC1=CC(C)=NN1C HR125395 [0,0,0,1,0,0|3,0,0]=4 165 B8R1.18 CC1=CC(N)=NN1C HR101522 [0,0,0,1,0,0|3,0,0]=4 166 B8R1.18 CC1=CC(S)=C(C)O1 HR123446 [0,0,0,1,0,0|2,0,1]=4 167 B8R1.18 CC1=NC(C)=C(C)O1 HR8636 [0,0,0,1,0,0|2,0,1]=4 168 B8R1.18 CC1=NC(C)OC1C HR128475 [0,0,0,1,0,0|2,0,1]=4 169 B8R1.18 CC1NC(=O)OC1=O HR100336 [0,0,0,1,0,0|3,0,0]=4 170 B8R1.22 O=C1C=CCCCC1 HR146270 [0,0,0,1,0,0|1,0,0]=2 171 B8R1.22 O=C1CCCCCN1 HR129512 [0,0,0,1,0,0|1,0,2]=4 172 B8R1.22 O=C1CCCCCO1 HR107144 [0,0,0,1,0,0|0,0,2]=3 173 B8R1.22 O=C1CCCCCO1 HR120205 [0,0,0,1,0,0|0,0,2]=3 174 B8R1.37 CCCC(=O)C1CC1 HR116824 [0,0,0,1,0,0|1,0,2]=4 175 B8R1.37 CCOC(=O)C1CC1 HR132331 [0,0,0,1,0,0|0,0,2]=3 176 B8R1.37 CCOC(=O)C1CO1 HR117347 [0,0,0,1,0,0|1,0,1]=3 177 B8R1.37 CCOC(=O)C1CO1 HR119319 [0,0,0,1,0,0|1,0,1]=3 178 B8R1.37 C\C=C\C(=O)C1CC1 HR116501 [0,0,0,1,0,0|1,0,0]=2 179 B5R0.1 C=C(C)OCC HR135003 [2,0,0,0,0,0|1,0,0]=3 180 B5R0.1 C=C(C)\C=C\[AlH3] HR142674 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.1 C=CCC(=O)O HR124911 [2,0,0,0,0,0|0,0,2]=4 182 B5R0.1 C=CNC(C)=O HR112565 [2,0,0,0,0,0|1,0,1]=4 183 B5R0.1 CC#CC(=O)O HR16226 [2,0,0,0,0,0|0,0,2]=4 184 B5R0.1 CC(=O)CCCl HR106274 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.1 CC(=O)CCO HR131203 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.1 CC(=O)NCO HR105862 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.1 CC(=O)OC=O HR100841 [2,0,0,0,0,0|1,0,1]=4 188 B5R0.1 CC(=O)OCBr HR127457 [2,0,0,0,0,0|1,0,0]=3 189 B5R0.1 CC(=O)OCCl HR101207 [2,0,0,0,0,0|1,0,0]=3 190 B5R0.1 CC(=O)\C=N\O HR126710 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.1 CC(C)=CC=O HR138342 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.1 CCCC(=O)Cl HR147587 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.1 CCCC(=O)[O-] HR129884 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.1 CCCC(=O)[O-] HR137474 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 CCCC(N)=O HR137715 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.1 CCNC(C)=O HR100775 [2,0,0,0,0,0|1,0,0]=3 197 B5R0.1 CCNC(N)=O HR126748 [2,0,0,0,0,0|2,0,0]=4 198 B5R0.1 CCOC(=N)N HR110036 [2,0,0,0,0,0|2,0,0]=4 199 B5R0.1 CCOC(=O)Cl IVSA07702 [2,0,0,0,0,0|1,0,0]=3 200 B5R0.1 CCOC(=S)[S-] HR127593 [2,0,0,0,0,0|1,1,0]=4 201 B5R0.1 CCOC(C)=N HR126641 [2,0,0,0,0,0|1,0,0]=3 202 B5R0.1 CCOC(N)=O HR123919 [2,0,0,0,0,0|1,0,0]=3 203 B5R0.1 CCSC(C)=O HR138399 [2,0,0,0,0,0|0,1,0]=3 204 B5R0.1 CCSC(C)=S HR129552 [2,0,0,0,0,0|0,2,0]=4 205 B5R0.1 CNCC(=O)O HR132326 [2,0,0,0,0,0|1,0,1]=4 206 B5R0.1 COCC(=O)O HR137614 [2,0,0,0,0,0|1,0,1]=4 207 B5R0.1 COCC(C)=O HR124731 [2,0,0,0,0,0|1,0,1]=4 208 B5R0.1 CSCC(C)=O HR104929 [2,0,0,0,0,0|1,0,1]=4 209 B5R0.1 C\C=C\B(O)O HR109070 [2,0,0,0,0,0|1,0,1]=4 210 B5R0.1 C\C=C\C(=O)Cl HR100850 [2,0,0,0,0,0|1,0,0]=3 211 B5R0.1 C\C=C\C(=O)Cl HR133043 [2,0,0,0,0,0|1,0,0]=3 212 B5R0.1 O=C(O)\C=C\I HR145754 [2,0,0,0,0,0|1,0,0]=3 213 B5R0.2 C=COCCC HR122922 [2,0,0,0,0,0|2,0,0]=4 214 B5R0.2 CCO\C=C\Br ATXF02514 [2,0,0,0,0,0|1,0,0]=3 215 B5R0.2 CC\C=C\C=O HR111713 [2,0,0,0,0,0|1,0,0]=3 216 B5R0.2 CC\C=C\C=O HR139459 [2,0,0,0,0,0|1,0,0]=3 217 B5R0.2 CC\C=C\CBr HR102032 [2,0,0,0,0,0|1,0,1]=4 218 B5R0.2 CO\C=C\C#N HR122816 [2,0,0,0,0,0|1,0,1]=4 219 B5R0.2 C\C=C\CCC HR121014 [2,0,0,0,0,0|0,0,1]=3 220 B5R0.2 C\C=C\OCC HR128979 [2,0,0,0,0,0|0,0,0]=2 221 B5R0.3 C#CC(=O)OC HR133415 [2,0,0,0,0,0|0,0,2]=4 222 B5R0.3 C=C(C=O)CC HR137788 [2,0,0,0,0,0|2,0,0]=4 223 B5R0.3 C=CC(=O)CBr HR146340 [2,0,0,0,0,0|1,0,0]=3 224 B5R0.3 C=CC(=O)CBr HR146362 [2,0,0,0,0,0|1,0,0]=3 225 B5R0.3 C=CC(=O)OC LECQ00902 [2,0,0,0,0,0|0,0,0]=2 226 B5R0.3 C=CC(O)CC HR132478 [2,0,0,0,0,0|0,0,2]=4 227 B5R0.3 CCC(=O)CBr HR101618 [2,0,0,0,0,0|1,0,1]=4 228 B5R0.3 CCC(=O)NC HR138361 [2,0,0,0,0,0|1,0,0]=3 229 B5R0.3 CCC(=S)OC HR134757 [2,0,0,0,0,0|0,1,1]=4 230 B5R0.3 CCS(=O)CC HR101279 [2,0,0,0,0,0|1,0,1]=4 231 B5R0.3 CNC(=O)CBr HR108109 [2,0,0,0,0,0|2,0,0]=4 232 B5R0.3 CNC(=O)NC HR124408 [2,0,0,0,0,0|2,0,0]=4 233 B5R0.3 COC(=N)OC HR100139 [2,0,0,0,0,0|2,0,0]=4 234 B5R0.3 COC(=O)C=O HR131069 [2,0,0,0,0,0|1,0,0]=3 235 B5R0.3 COC(=O)CBr HR147010 [2,0,0,0,0,0|1,0,1]=4 236 B5R0.3 COC(=O)CCl HR147665 [2,0,0,0,0,0|1,0,1]=4 237 B5R0.3 COC(=O)CF HR147087 [2,0,0,0,0,0|1,0,1]=4 238 B5R0.3 COC(=O)CN VAJB00904 [2,0,0,0,0,0|1,0,1]=4 239 B5R0.3 COC(=O)CO HR136159 [2,0,0,0,0,0|1,0,1]=4 240 B5R0.3 COC(=O)CS HR136418 [2,0,0,0,0,0|1,0,1]=4 241 B5R0.3 COC(=O)NN HR17404 [2,0,0,0,0,0|2,0,0]=4 242 B5R0.3 COS(=O)OC HR128367 [2,0,0,0,0,0|2,0,0]=4 243 B5R0.3 CO[PH](=O)OC HR135600 [2,0,0,0,0,0|2,0,0]=4 244 B7R0.2 C=CC(=O)NC(C)C HR138308 [1,1,0,0,0,0|1,0,0]=3 245 B7R0.2 CC(=O)NC(=O)CN HR100710 [1,1,0,0,0,0|2,0,0]=4 246 B7R0.2 CC(=O)\C=C(\C)O[Ir] HR109248 [1,1,0,0,0,0|2,0,0]=4 247 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR123460 [1,1,0,0,0,0|2,0,0]=4 248 B7R0.2 CC(=O)\C=C(\C)O[Rh] HR126751 [1,1,0,0,0,0|2,0,0]=4 249 B7R0.2 CC(C)OC(=O)CN HR105079 [1,1,0,0,0,0|1,0,1]=4 250 B7R0.2 CC(C)OC(=O)CN HR117760 [1,1,0,0,0,0|1,0,1]=4 251 B7R0.2 CC(C)OC(=O)CO HR105901 [1,1,0,0,0,0|1,0,1]=4 252 B7R0.2 CCC(=O)CC(C)=O HR133940 [1,1,0,0,0,0|0,0,1]=3 253 B7R0.2 CNC(=O)CC(C)=O HR100837 [1,1,0,0,0,0|1,0,1]=4 254 B7R0.2 COC(=O)C=C(C)C HR125078 [1,1,0,0,0,0|0,0,0]=2 255 B7R0.2 COC(=O)CC(C)=O TECQ03701 [1,1,0,0,0,0|0,0,1]=3 256 B7R0.2 COC(=O)CC(C)N HR119861 [1,1,0,0,0,0|0,0,2]=4 257 B7R0.2 COC(=O)CC(C)N HR143484 [1,1,0,0,0,0|0,0,2]=4 258 B7R0.2 COC(=O)CC(C)O HR138815 [1,1,0,0,0,0|0,0,2]=4 259 B7R0.2 COC(=O)CC(N)=O HR118636 [1,1,0,0,0,0|1,0,1]=4 260 B7R0.2 COC(=O)\C=C(/C)N HR138334 [1,1,0,0,0,0|0,0,0]=2 261 B7R0.2 CSC(=O)CC(C)C HR122226 [1,1,0,0,0,0|2,0,0]=4 262 B7R0.3 C=CC(=O)OCCC HR144889 [1,1,0,0,0,0|0,0,0]=2 263 B7R0.3 C=CC(=O)OCCO HR125757 [1,1,0,0,0,0|0,0,0]=2 264 B7R0.3 C=CCOC(=O)C=C HR107303 [1,1,0,0,0,0|0,0,1]=3 265 B7R0.3 CCCOC(=O)CC HR127273 [1,1,0,0,0,0|0,0,1]=3 266 B7R0.3 COC(=O)CCC=O HR116651 [1,1,0,0,0,0|1,0,1]=4 267 B7R0.3 COC(=O)CCCBr HR134912 [1,1,0,0,0,0|0,0,2]=4 268 B7R0.3 COC(=O)CCCCl HR131361 [1,1,0,0,0,0|0,0,2]=4 269 B7R0.3 COC(=O)CCCN HR105959 [1,1,0,0,0,0|0,0,2]=4 270 B7R0.3 COC(=O)\C=C\CBr HR131230 [1,1,0,0,0,0|0,0,0]=2 271 B7R0.3 COCCC(=O)OC HR130750 [1,1,0,0,0,0|0,0,2]=4 272 B7R0.3 CO\C=C\C(=O)OC HR100409 [1,1,0,0,0,0|0,0,0]=2 273 B7R0.3 CO\C=C\C(=O)OC HR123737 [1,1,0,0,0,0|0,0,0]=2 274 B7R0.3 C\C=C\CC(=O)OC HR127455 [1,1,0,0,0,0|0,0,0]=2 275 B7R0.5 C=C(C)C(=O)NCO HR114687 [1,1,0,0,0,0|2,0,0]=4 276 B7R0.5 CC(C)C(=O)OCCl HR116048 [1,1,0,0,0,0|1,0,1]=4 277 B7R0.5 CCCC(=O)C(=O)O HR138596 [1,1,0,0,0,0|2,0,0]=4 278 B7R0.5 CCCC(=O)C(C)=O HR139186 [1,1,0,0,0,0|1,0,0]=3 279 B7R0.5 CCCC(=O)C(C)C HR130078 [1,1,0,0,0,0|0,0,2]=4 280 B7R0.5 CCOC(=O)C(=O)Cl HR138954 [1,1,0,0,0,0|1,0,0]=3 281 B7R0.5 CCOC(=O)C(C)=O HR135005 [1,1,0,0,0,0|0,0,0]=2 282 B7R0.5 CCOC(=O)C(C)Br HR123330 [1,1,0,0,0,0|0,0,1]=3 283 B7R0.5 CCOC(=O)C(C)C BEJL02302 [1,1,0,0,0,0|0,0,1]=3 284 B7R0.5 CCOC(=O)C(C)F HR137458 [1,1,0,0,0,0|0,0,1]=3 285 B7R0.5 CCOC(=O)C(C)N HR113453 [1,1,0,0,0,0|0,0,1]=3 286 B7R0.5 CCOC(=O)C(C)N HR123317 [1,1,0,0,0,0|0,0,1]=3 287 B7R0.5 CCOC(=O)C(C)N HR129365 [1,1,0,0,0,0|0,0,1]=3 288 B7R0.5 CCOC(=O)C(C)O HR100136 [1,1,0,0,0,0|0,0,1]=3 289 B7R0.5 CCOC(=O)C(C)O HR15558 [1,1,0,0,0,0|0,0,1]=3 290 B7R0.5 CCOC(=O)C(C)S HR126591 [1,1,0,0,0,0|0,0,1]=3 291 B7R0.5 CCOC(=O)C(F)Br HR137876 [1,1,0,0,0,0|1,0,1]=4 292 B7R0.5 CCOC(=O)C(F)Cl HR115827 [1,1,0,0,0,0|1,0,1]=4 293 B7R0.5 CCOC(=O)C(F)F HR123633 [1,1,0,0,0,0|1,0,1]=4 294 B7R0.5 CCOC(=S)C(N)=O HR125905 [1,1,0,0,0,0|1,1,0]=4 295 B7R0.10 C=C(C#N)C(=O)OC HR100211 [1,1,0,0,0,0|1,0,1]=4 296 B7R0.10 C=C(CBr)C(=O)OC HR111903 [1,1,0,0,0,0|1,0,1]=4 297 B7R0.10 C=C(CCl)C(=O)OC HR109145 [1,1,0,0,0,0|1,0,1]=4 298 B7R0.10 C=C(CO)C(=O)OC HR105042 [1,1,0,0,0,0|1,0,1]=4 299 B7R0.10 CCC(=O)C(=O)CC HR122518 [1,1,0,0,0,0|0,0,1]=3 300 B7R0.10 CCC(Br)C(=O)OC HR123363 [1,1,0,0,0,0|0,0,2]=4 301 B7R0.10 CCC(C)C(=O)OC HR133876 [1,1,0,0,0,0|0,0,2]=4 302 B7R0.10 CCC(C)C(=O)OC HR143721 [1,1,0,0,0,0|0,0,2]=4 303 B7R0.10 CCC(C)C(=O)SC HR105243 [1,1,0,0,0,0|2,0,0]=4 304 B7R0.10 CCC(O)C(=O)OC HR144357 [1,1,0,0,0,0|0,0,2]=4 305 B7R0.10 COC(=O)C(=O)CBr HR122614 [1,1,0,0,0,0|1,0,1]=4 306 B7R0.10 COC(=O)C(=O)OC HR147608 [1,1,0,0,0,0|1,0,0]=3 307 B7R0.10 COC(=O)C(O)OC HR135004 [1,1,0,0,0,0|1,0,1]=4 308 B7R0.10 COC(=O)N(C)OC HR148866 [1,1,0,0,0,0|2,0,0]=4 309 B7R0.10 C\C=C(/C)C(=O)OC HR129001 [1,1,0,0,0,0|0,0,0]=2 310 B7R0.1 CCCC\C=C\C=O HR129000 [1,1,0,0,0,0|2,0,0]=4 311 B7R0.1 CC\C=C\C=C\C=O HR130022 [1,1,0,0,0,0|1,0,1]=4 312 B7R0.1 CC\C=C\CCCC HR100327 [1,1,0,0,0,0|1,0,1]=4 313 B7R0.1 CC\C=C\CCCO HR144605 [1,1,0,0,0,0|1,0,1]=4 314 B7R0.4 C=C\C=C\OC(C)=O HR141489 [1,1,0,0,0,0|0,0,2]=4 315 B7R0.4 CCC\C=C\C(C)=O HR30170 [1,1,0,0,0,0|1,0,0]=3 316 B7R0.4 CCOCC=C(C)C HR111947 [1,1,0,0,0,0|0,0,1]=3 317 B7R0.4 CCO[SiH2]C=C(C)C HR136449 [1,1,0,0,0,0|0,1,0]=3 318 B7R0.4 CCO\C=C\C(=O)Cl HR144705 [1,1,0,0,0,0|1,0,0]=3 319 B7R0.4 CCO\C=C\C(=O)O HR20958 [1,1,0,0,0,0|1,0,0]=3 320 B9R0.4 C=CCOC(=O)CC(C)=O HR126314 [0,2,0,0,0,0|0,0,2]=4 321 B9R0.4 CCCOC(=O)CC(C)C HR123585 [0,2,0,0,0,0|0,0,2]=4 322 B9R0.5 CCC\C=C\C(=O)OCC HR127011 [0,2,0,0,0,0|0,0,0]=2 323 B9R0.5 CCOC(=O)CCCCBr HR125890 [0,2,0,0,0,0|0,0,2]=4 324 B9R0.5 CCOC(=O)CCCCN HR148504 [0,2,0,0,0,0|0,0,2]=4 325 B9R0.5 CCOC(=O)COCCCl HR134831 [0,2,0,0,0,0|0,0,2]=4 326 B9R0.5 CCOCCC(=O)OCC HR122912 [0,2,0,0,0,0|0,0,2]=4 327 B9R0.5 CCO\C=C\C(=O)OCC HR108713 [0,2,0,0,0,0|0,0,0]=2 328 B9R0.5 CCO\C=C\C(=O)OCC HR12909 [0,2,0,0,0,0|0,0,0]=2 329 B9R0.5 CC\C=C\CC(=O)OCC HR143249 [0,2,0,0,0,0|0,0,0]=2 330 B9R0.5 C\C=C\C=C\C(=O)OCC HR127341 [0,2,0,0,0,0|0,0,0]=2 331 B9R0.8 CCCOC(=O)C(C)CC HR142970 [0,2,0,0,0,0|0,0,2]=4 332 B9R0.8 C\C=C(\C)C(=O)OCCC HR129262 [0,2,0,0,0,0|0,0,0]=2 333 B9R0.34 CCCC(=O)CC(=O)OC HR142969 [0,2,0,0,0,0|1,0,1]=4 334 B9R0.34 CCOC(=O)CC(=O)CBr HR133762 [0,2,0,0,0,0|0,0,1]=3 335 B9R0.34 CCOC(=O)CC(=O)CC HR131188 [0,2,0,0,0,0|0,0,1]=3 336 B9R0.34 CCOC(=O)CC(=O)CCl HR124896 [0,2,0,0,0,0|0,0,1]=3 337 B9R0.34 CCOC(=O)CC(=O)NC HR125174 [0,2,0,0,0,0|0,0,1]=3 338 B9R0.34 CCOC(=O)CC(C)CC HR102263 [0,2,0,0,0,0|0,0,2]=4 339 B9R0.34 CCOC(=O)CC(O)CBr HR123965 [0,2,0,0,0,0|0,0,2]=4 340 B9R0.34 CCOC(=O)CC(O)CBr HR124224 [0,2,0,0,0,0|0,0,2]=4 341 B9R0.34 CCOC(=O)CC(O)CCl HR107822 [0,2,0,0,0,0|0,0,2]=4 342 B9R0.34 CCOC(=O)CC(O)CCl HR123432 [0,2,0,0,0,0|0,0,2]=4 343 B9R0.34 CCOC(=O)CC(O)CCl HR123697 [0,2,0,0,0,0|0,0,2]=4 344 B9R0.34 CCOC(=O)\C=C(/C)CBr PEJL03409 [0,2,0,0,0,0|0,0,0]=2 345 B9R0.34 CCOC(=O)\C=C(\C)C=O HR121055 [0,2,0,0,0,0|0,0,0]=2 346 B9R0.35 C=CCC(C)C(=O)OCC HR139572 [0,2,0,0,0,0|0,0,2]=4 347 B9R0.35 CCCC(=O)C(=O)OCC HR137737 [0,2,0,0,0,0|0,0,1]=3 348 B9R0.35 CCCC(Br)C(=O)OCC HR135641 [0,2,0,0,0,0|0,0,2]=4 349 B9R0.35 CCCC(C)C(=O)OCC HR130749 [0,2,0,0,0,0|0,0,2]=4 350 B9R0.35 CCCC(N)C(=O)OCC HR128528 [0,2,0,0,0,0|0,0,2]=4 351 B9R0.35 CCOC(=N)C(=O)OCC HR139134 [0,2,0,0,0,0|0,0,1]=3 352 B9R0.35 CCOC(=O)C(=O)OCC ELXM01907 [0,2,0,0,0,0|0,0,1]=3 353 B9R0.35 CCOC(=O)C(Br)CCBr HR138648 [0,2,0,0,0,0|0,0,2]=4 354 B9R0.35 CCOC(=O)C(Cl)OCC HR113792 [0,2,0,0,0,0|0,0,2]=4 355 B9R0.35 C\C=C\C(C)C(=O)OCC HR100631 [0,2,0,0,0,0|0,0,0]=2 356 B9R0.48 CCCC(=O)OCC(C)C HR119768 [0,2,0,0,0,0|0,0,2]=4 357 B9R0.48 CCNC(=O)\C=C\C(=O)O HR104340 [0,2,0,0,0,0|1,0,1]=4 358 B9R0.48 CCOC(=O)CCC(=O)Cl HR129703 [0,2,0,0,0,0|1,0,1]=4 359 B9R0.48 CCOC(=O)CCC(=O)[O-] HR131805 [0,2,0,0,0,0|1,0,1]=4 360 B9R0.48 CCOC(=O)CCC(C)=O HR131025 [0,2,0,0,0,0|0,0,1]=3 361 B9R0.48 CCOC(=O)CCC(C)Cl HR102899 [0,2,0,0,0,0|0,0,2]=4 362 B9R0.48 CCOC(=O)CNC(C)=O HR137968 [0,2,0,0,0,0|0,0,1]=3 363 B9R0.48 CCOC(=O)\C=C\C(=O)Cl HR144452 [0,2,0,0,0,0|0,0,1]=3 364 B9R0.48 CCOC(=O)\C=C\C(=O)[O-] HR129266 [0,2,0,0,0,0|0,0,1]=3 365 B9R0.48 CCOC(=O)\C=C\C(C)=O HR117323 [0,2,0,0,0,0|0,0,0]=2 366 B9R0.48 CCOC(=O)\C=C\N(C)C HR137200 [0,2,0,0,0,0|0,0,0]=2 367 B9R0.48 C\C=C\C(=O)OCC(C)C HR133085 [0,2,0,0,0,0|0,0,0]=2 368 B9R0.6 CCOC(=O)C(=O)C(C)C HR140341 [0,2,0,0,0,0|0,0,1]=3 369 B9R0.6 CCOC(=O)C(Br)C(C)=O HR141243 [0,2,0,0,0,0|0,0,1]=3 370 B9R0.6 CCOC(=O)C(Br)C(C)C HR124370 [0,2,0,0,0,0|0,0,2]=4 371 B9R0.6 CCOC(=O)C(C)C(C)=O HR122775 [0,2,0,0,0,0|0,0,1]=3 372 B9R0.6 CCOC(=O)C(Cl)C(C)=O HR134430 [0,2,0,0,0,0|0,0,1]=3 373 B9R0.6 CCOC(=O)C(F)C(C)=O HR131178 [0,2,0,0,0,0|0,0,1]=3 374 B9R0.6 CCOC(=O)C(N)C(C)=O HR148536 [0,2,0,0,0,0|0,0,1]=3 375 B9R0.6 CCOC(=O)C(N)C(C)C HR129467 [0,2,0,0,0,0|0,0,2]=4 376 B9R0.6 CCOC(=O)C(N)C(C)C HR139476 [0,2,0,0,0,0|0,0,2]=4 377 B9R0.6 CCOC(=O)C(N)C(C)O HR117025 [0,2,0,0,0,0|0,0,2]=4 378 B9R0.6 CCOC(=O)C(O)C(C)C HR145867 [0,2,0,0,0,0|0,0,2]=4 379 B9R0.23 CCC(C)C(=O)OC(C)C HR139110 [0,2,0,0,0,0|0,0,2]=4 380 B9R0.23 C\C=C(/C)C(=O)OC(C)C HR128214 [0,2,0,0,0,0|0,0,0]=2 381 B9R0.37 CCOC(=O)C(C#N)CC HR104781 [0,2,0,0,0,0|0,0,2]=4 382 B9R0.37 CCOC(=O)C(C=O)C=O HR103719 [0,2,0,0,0,0|1,0,1]=4 383 B9R0.37 CCOC(=O)\C(C#N)=N/O HR21633 [0,2,0,0,0,0|1,0,1]=4 384 B9R0.44 C=CCC(=O)OC(C)(C)C HR105300 [0,2,0,0,0,0|0,0,2]=4 385 B9R0.44 C=CNC(=O)OC(C)(C)C HR148311 [0,2,0,0,0,0|1,0,1]=4 386 B9R0.44 CCOC(=O)CC(C)(C)N HR148568 [0,2,0,0,0,0|0,0,2]=4 387 B9R0.44 CCOC(=O)CS(C)(=O)=O HR143635 [0,2,0,0,0,0|1,0,1]=4 388 B9R0.44 CCOC(=O)C[Si](C)(C)C HR110962 [0,2,0,0,0,0|0,1,1]=4 389 B9R0.44 CNCC(=O)OC(C)(C)C HR130705 [0,2,0,0,0,0|1,0,1]=4 390 B9R0.44 CNCC(=O)OC(C)(C)C HR144736 [0,2,0,0,0,0|1,0,1]=4 391 B9R0.44 C\C=C\C(=O)O[Si](C)(C)C HR139886 [0,2,0,0,0,0|0,1,0]=3 392 B9R0.53 CC(=O)CC(=O)CC(C)C HR120010 [0,2,0,0,0,0|1,0,1]=4 393 B9R0.53 CC(=O)CC(=O)OC(C)C HR133707 [0,2,0,0,0,0|0,0,1]=3 394 B9R0.53 CC(C)=CC(=O)C=C(C)C HR30104 [0,2,0,0,0,0|1,0,1]=4 395 B9R0.53 CC(C)OC(=O)OC(C)Cl HR127414 [0,2,0,0,0,0|1,0,1]=4 396 B9R0.53 CC(C)OC(=O)OC(C)I HR138639 [0,2,0,0,0,0|1,0,1]=4 397 B9R0.53 C\C(N)=C/C(=O)OC(C)C HR138074 [0,2,0,0,0,0|0,0,0]=2 398 B7R1.1 C=CC1OCCO1 HR135167 [1,0,0,1,0,0|0,0,2]=4 399 B7R1.1 CCC1=CC=CO1 HR125873 [1,0,0,1,0,0|0,0,2]=4 400 B7R1.1 CCC1=CC=CS1 HR111385 [1,0,0,1,0,0|0,1,1]=4 401 B7R1.1 CCC1=CSC=C1 HR124094 [1,0,0,1,0,0|2,0,0]=4 402 B7R1.1 CCC1=NCCO1 HR131444 [1,0,0,1,0,0|1,0,1]=4 403 B7R1.1 COC1=CC=CS1 HR128854 [1,0,0,1,0,0|0,1,1]=4 404 B7R1.1 COC1=CSC=C1 HR138278 [1,0,0,1,0,0|2,0,0]=4 405 B7R1.2 CC1=CC(=O)CC1 HR137516 [1,0,0,1,0,0|0,0,0]=2 406 B7R1.2 CC1=CC(=O)CO1 HR119186 [1,0,0,1,0,0|1,0,0]=3 407 B7R1.2 CC1=CC(=O)NN1 HR133409 [1,0,0,1,0,0|2,0,0]=4 408 B7R1.2 CC1=CC(=O)OC1 HR118210 [1,0,0,1,0,0|0,0,0]=2 409 B7R1.2 CC1=CC(C)=NO1 HR126201 [1,0,0,1,0,0|2,0,0]=4 410 B7R1.2 CC1=CC=C(Br)O1 HR117458 [1,0,0,1,0,0|1,0,1]=4 411 B7R1.2 CC1=CCC(=O)O1 HR136942 [1,0,0,1,0,0|0,0,2]=4 412 B7R1.2 CC1=NOC(N)=C1 HR125110 [1,0,0,1,0,0|2,0,0]=4 413 B7R1.2 CC1CCC(=O)O1 HR126256 [1,0,0,1,0,0|0,0,1]=3 414 B7R1.2 CC1CNC(=O)C1 HR146359 [1,0,0,1,0,0|2,0,0]=4 415 B7R1.2 CC1CNC(=O)C1 HR146360 [1,0,0,1,0,0|2,0,0]=4 416 B7R1.2 CC1CNC(=O)C1 HR146369 [1,0,0,1,0,0|2,0,0]=4 417 B7R1.2 CC1COC(=O)O1 HR125363 [1,0,0,1,0,0|1,0,0]=3 418 B7R1.2 CC1COC(=O)O1 HR128407 [1,0,0,1,0,0|1,0,0]=3 419 B7R1.2 CC1COC(=O)O1 HR129273 [1,0,0,1,0,0|1,0,0]=3 420 B7R1.2 CN1CCC(=O)C1 HR102484 [1,0,0,1,0,0|1,0,1]=4 421 B7R1.2 Cc1cc(=O)no1 HR137393 [1,0,0,1,0,0|2,0,0]=4 422 B7R1.2 O=C1C=C(O)CN1 HR104155 [1,0,0,1,0,0|2,0,0]=4 423 B7R1.2 O=C1C=C(O)CO1 HR100679 [1,0,0,1,0,0|1,0,0]=3 424 B7R1.2 O=C1C=CC(=O)O1 HR146919 [1,0,0,1,0,0|1,0,1]=4 425 B7R1.2 O=C1CCC(=O)C1 HR130125 [1,0,0,1,0,0|1,0,1]=4 426 B7R1.2 O=C1CCC(=O)N1 HR135734 [1,0,0,1,0,0|2,0,0]=4 427 B7R1.2 O=C1CCC(=O)O1 HR135468 [1,0,0,1,0,0|2,0,0]=4 428 B7R1.2 O=C1COC(=O)C1 HR100364 [1,0,0,1,0,0|1,0,1]=4 429 B7R1.2 O=C1COC(=O)N1 HR103401 [1,0,0,1,0,0|2,0,0]=4 430 B7R1.2 O=C1OCC(Cl)O1 HR123970 [1,0,0,1,0,0|2,0,0]=4 431 B7R1.2 O=C1OCC(F)O1 HR135652 [1,0,0,1,0,0|2,0,0]=4 432 B7R1.3 BrC1=CCCCC1 HR156605 [1,0,0,1,0,0|1,0,1]=4 433 B7R1.3 BrC1C=CCCC1 HR103088 [1,0,0,1,0,0|1,0,1]=4 434 B7R1.3 CC1=CCCCC1 HR143913 [1,0,0,1,0,0|1,0,1]=4 435 B7R1.3 ClC1=CCCCC1 HR129641 [1,0,0,1,0,0|1,0,1]=4 436 B7R1.3 O=C1C=CCCC1 HR146309 [1,0,0,1,0,0|0,0,0]=2 437 B7R1.3 O=C1CCCCC1 SIJL01002 [1,0,0,1,0,0|0,0,2]=4 438 B7R1.3 O=C1CCCCN1 HR126393 [1,0,0,1,0,0|1,0,1]=4 439 B7R1.3 O=C1CCCCO1 HR128412 [1,0,0,1,0,0|0,0,1]=3 440 B7R1.3 O=C1CCCNC1 HR108093 [1,0,0,1,0,0|1,0,1]=4 441 B7R1.3 O=C1CCCNC1 HR116769 [1,0,0,1,0,0|1,0,1]=4 442 B7R1.3 O=C1CCCOC1 HR104744 [1,0,0,1,0,0|1,0,1]=4 443 B7R1.3 O=C1CNCCO1 HR30209 [1,0,0,1,0,0|1,0,1]=4 444 B7R1.3 O=C1COCCO1 HR127683 [1,0,0,1,0,0|1,0,1]=4 445 B7R1.3 O=C1NCCCN1 HR123216 [1,0,0,1,0,0|2,0,0]=4 446 B7R1.3 O=S1OCCCO1 HR134327 [1,0,0,1,0,0|2,0,0]=4 447 B7R1.3 OC1C=CCCC1 HR108292 [1,0,0,1,0,0|0,0,2]=4 448 B7R1.4 C=C1CCOC1=O HR130328 [1,0,0,1,0,0|0,0,0]=2 449 B7R1.4 CC1=C(S)CCO1 HR124755 [1,0,0,1,0,0|2,0,0]=4 450 B7R1.4 CC1=CCCC1=O HR114448 [1,0,0,1,0,0|1,0,1]=4 451 B7R1.4 CC1CCCC1=O HR112329 [1,0,0,1,0,0|0,0,2]=4 452 B7R1.4 CC1CCNC1=O HR103871 [1,0,0,1,0,0|1,0,1]=4 453 B7R1.4 CN1CCCC1=O HR130754 [1,0,0,1,0,0|2,0,0]=4 454 B7R1.4 CN1CCOC1=O HR132150 [1,0,0,1,0,0|1,0,0]=3 455 B7R1.4 CN1SC=CC1=O HR137410 [1,0,0,1,0,0|2,0,0]=4 456 B7R1.4 NC1CCOC1=O HR103069 [1,0,0,1,0,0|1,0,1]=4 457 B7R1.4 NC1CCOC1=O HR134625 [1,0,0,1,0,0|1,0,1]=4 458 B7R1.4 NC1CCOC1=O HR137954 [1,0,0,1,0,0|1,0,1]=4 459 B7R1.4 NC1CCOC1=O HR146738 [1,0,0,1,0,0|1,0,1]=4 460 B7R1.4 NN1CCOC1=O HR146108 [1,0,0,1,0,0|2,0,0]=4 461 B7R1.4 O=C1OCC=C1Br HR102966 [1,0,0,1,0,0|1,0,1]=4 462 B7R1.4 O=C1OCCC1Br HR10714 [1,0,0,1,0,0|1,0,1]=4 463 B7R1.22 CCC(=O)C1CC1 HR104134 [1,0,0,1,0,0|0,0,2]=4 464 B7R1.22 COC(=O)C1CC1 HR128125 [1,0,0,1,0,0|0,0,2]=4 465 B7R1.22 COC(=O)C1CN1 HR112447 [1,0,0,1,0,0|1,0,1]=4 466 B7R1.22 COC(=O)C1CO1 HR129937 [1,0,0,1,0,0|1,0,1]=4 467 B9R1.2 CCC1CCCC(=O)O1 HR115799 [0,1,0,1,0,0|0,0,2]=4 468 B9R1.7 CCOC1=NC(Br)=CS1 HR120039 [0,1,0,1,0,0|2,0,0]=4 469 B9R1.8 CCOC1=CC=CC=C1 SOSA06013 [0,1,0,1,0,0|1,0,1]=4 470 B9R1.8 CCOC1=CC=CN=N1 HR148630 [0,1,0,1,0,0|1,0,1]=4 471 B9R1.8 CCOC1=CCCCC1 HR107315 [0,1,0,1,0,0|1,0,1]=4 472 B9R1.8 CCOC1=NC=CC=C1 HR1126 [0,1,0,1,0,0|1,0,1]=4 473 B9R1.8 CCOC1=NC=CN=C1 HR132551 [0,1,0,1,0,0|1,0,1]=4 474 B9R1.8 CCOC1CCC=CO1 HR113159 [0,1,0,1,0,0|1,0,1]=4 475 B9R1.22 CC1=C(CBr)OC(=O)O1 HR123437 [0,1,0,1,0,0|1,0,1]=4 476 B9R1.22 CC1=C(CCl)OC(=O)O1 HR10542 [0,1,0,1,0,0|1,0,1]=4 477 B9R1.22 CC1=C(CO)OC(=O)O1 HR141149 [0,1,0,1,0,0|1,0,1]=4 478 B9R1.22 CCN1N=C(C)C=C1C HR142696 [0,1,0,1,0,0|2,0,0]=4 479 B9R1.27 CCC1=C(C)CNC1=O HR133364 [0,1,0,1,0,0|1,0,1]=4 480 B9R1.27 CCC1=C(C)NC=C1C HR128252 [0,1,0,1,0,0|2,0,0]=4 481 B9R1.27 CCN1C(=O)C=CC1=O HR136240 [0,1,0,1,0,0|1,0,1]=4 482 B9R1.33 O=C1OCCN1CCCl HR110242 [0,1,0,1,0,0|1,0,1]=4 483 B9R1.33 O=C1OCCN1CCO HR109919 [0,1,0,1,0,0|1,0,1]=4 484 B9R1.48 O=C1CCCCC(=O)C1 HR20261 [0,1,0,1,0,0|1,0,1]=4 485 B9R1.73 CCOC(=O)C1CCC1 HR127166 [0,1,0,1,0,0|0,0,2]=4 486 B9R1.73 CCOC(=O)C1CNC1 HR139224 [0,1,0,1,0,0|0,0,2]=4 487 B9R1.75 CCCC(=O)OC1CO1 PRCQ00205 [0,1,0,1,0,0|0,0,2]=4 488 B9R1.75 CCOC(=O)CC1CC1 HR119908 [0,1,0,1,0,0|0,0,2]=4 489 B9R1.37 CC1=C(C)C(=O)OC1=O HR110712 [0,1,0,1,0,0|1,0,1]=4 490 B9R1.37 CC1=C(O)C(=O)C(C)O1 HR128379 [0,1,0,1,0,0|2,0,0]=4 491 B9R1.37 CC1=C(O)C(=O)OC1C HR132334 [0,1,0,1,0,0|0,0,0]=2 492 B9R1.37 CC1CC(=O)C(=O)C1C HR124020 [0,1,0,1,0,0|1,0,1]=4 493 B9R1.74 CCOC(=O)C1(C)CC1 HR109932 [0,1,0,1,0,0|0,0,2]=4 494 B9R1.74 CCOC(=O)C1(N)CC1 HR14733 [0,1,0,1,0,0|0,0,2]=4 495 B9R1.34 CC1=CC(=O)C=C(C)O1 HR130901 [0,1,0,1,0,0|1,0,1]=4 496 B9R1.34 CC1=CC(=O)NC(C)=C1 HR31747 [0,1,0,1,0,0|1,0,1]=4 497 B9R1.34 CC1CC(=O)CC(=O)C1 HR14279 [0,1,0,1,0,0|1,0,1]=4 498 B9R1.34 Cc1cc(O)cc(=O)o1 HR125347 [0,1,0,1,0,0|0,0,2]=4 499 B9R1.38 CC1(C)OC(=O)NC1=O HR125759 [0,1,0,1,0,0|2,0,0]=4 500 B9R1.41 CC(=O)C1CCCC1=O HR144598 [0,1,0,1,0,0|1,0,1]=4 501 B9R1.41 CC(=O)C1CCOC1=O HTXM01002 [0,1,0,1,0,0|0,0,1]=3 502 B9R1.41 CC(=O)N1CCNC1=O HR132352 [0,1,0,1,0,0|2,0,0]=4 503 B9R1.66 CC1(O)CCOC(=O)C1 HR123601 [0,1,0,1,0,0|0,0,2]=4 504 B9R1.137 CC(=O)CC(=O)C1CC1 HR144451 [0,1,0,1,0,0|1,0,1]=4 505 B9R1.14 CCN1N=CC=C1C=O HR113668 [0,1,0,1,0,0|2,0,0]=4