0 B6R0.1 C#CC(=O)OCC MC434052 [0,0,0,0,0,0|1,0,3]=4 1 B6R0.1 CCCC(=O)NN CS22544 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.1 CCNC(=O)NC MC428152 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCOC(=O)CBr MC41907 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.1 CCOC(=O)CCl MC41910 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 CCOC(=O)CN CS15347 [0,0,0,0,0,0|2,0,1]=3 6 B6R0.1 CCOC(=O)CO CS11386 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CCOC(=O)NN CS11383 [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CNC(=O)CC#N CS18404 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.1 CNC(=O)CCN MC112263 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.1 CNCC(=O)OC MC438154 [0,0,0,0,0,0|2,0,1]=3 11 B6R0.1 COC(=O)C#CBr MC427266 [0,0,0,0,0,0|2,0,2]=4 12 B6R0.1 COC(=O)CC#N MC428339 [0,0,0,0,0,0|2,0,2]=4 13 B6R0.1 COC(=O)CCBr CS18993 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.1 COC(=O)CCN CS22266 [0,0,0,0,0,0|2,0,2]=4 15 B6R0.1 COC(=O)\C=C\I MC20613 [0,0,0,0,0,0|2,0,0]=2 16 B6R0.1 COCC(=O)NN CS11580 [0,0,0,0,0,0|3,0,1]=4 17 B6R0.1 C\C=C\C(=O)OC MC41953 [0,0,0,0,0,0|1,0,0]=1 18 B6R0.1 O=C(CCl)NCO CS14580 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.1 CC#CC(=O)O MC20776 [1,0,0,0,0,0|1,0,2]=4 20 B5R0.1 CC(=O)\C=N\O CS11520 [1,0,0,0,0,0|2,0,0]=3 21 B5R0.1 CC(=O)\C=N\O CS18968 [1,0,0,0,0,0|2,0,0]=3 22 B5R0.1 CC(C)=CCBr MC41900 [1,0,0,0,0,0|2,0,1]=4 23 B5R0.1 CCCC(C)=O CS21731 [1,0,0,0,0,0|0,0,2]=3 24 B5R0.1 CNCC(=O)O CS18595 [1,0,0,0,0,0|2,0,1]=4 25 B5R0.1 CNCC(N)=O MC438151 [1,0,0,0,0,0|2,0,1]=4 26 B5R0.1 COCC(=O)Cl MC40491 [1,0,0,0,0,0|2,0,1]=4 27 B5R0.1 COCC(=O)O CS11579 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 COCC(N)=O MC41924 [1,0,0,0,0,0|2,0,1]=4 29 B5R0.1 CSCC(=O)Cl MC106201 [1,0,0,0,0,0|2,0,1]=4 30 B5R0.1 CSCC(N)=O CS12608 [1,0,0,0,0,0|2,0,1]=4 31 B5R0.1 C\C=C\B(O)O MC116392 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 C\C=C\C(=O)O MC41882 [1,0,0,0,0,0|1,0,0]=2 33 B5R0.2 C#C\C=C\CO MC428290 [1,0,0,0,0,0|1,0,2]=4 34 B5R0.2 C\C=C\C[Pd]Cl MC444919 [1,0,0,0,0,0|2,0,1]=4 35 B5R0.2 ClC\C=C\CCl MC10276 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 ClC\C=C\CCl MC10277 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 OC\C=C\CCl MC10262 [1,0,0,0,0,0|2,0,1]=4 38 B5R0.2 OC\C=C\CO MC41968 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 OC\C=C\CO MC424009 [1,0,0,0,0,0|2,0,1]=4 40 B5R0.3 CNC(=O)CCl MC21094 [1,0,0,0,0,0|2,0,0]=3 41 B5R0.3 CNC(=O)CN MC437710 [1,0,0,0,0,0|2,0,0]=3 42 B5R0.3 COC(=O)CN CS15045 [1,0,0,0,0,0|2,0,0]=3 43 B5R0.3 COC(=O)CO CS19433 [1,0,0,0,0,0|2,0,0]=3 44 B5R0.3 COC(=O)CS MC20578 [1,0,0,0,0,0|2,0,0]=3 45 B5R0.3 COC(=O)NN MC20825 [1,0,0,0,0,0|3,0,0]=4 46 B5R0.3 O=C(CO)CO CS11245 [1,0,0,0,0,0|2,0,1]=4 47 B5R0.3 O=CC(=O)CO MC427604 [1,0,0,0,0,0|2,0,0]=3 48 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,1,0,0,0,0|3,0,0]=4 49 B7R0.2 CC(C)OC(=O)CO CS11522 [0,1,0,0,0,0|2,0,1]=4 50 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,1,0,0,0,0|0,0,1]=2 51 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,1,0,0,0,0|1,0,0]=2 52 B7R0.2 COC(=O)CC(=O)O CS13436 [0,1,0,0,0,0|2,0,1]=4 53 B7R0.2 COC(=O)CC(=O)[O-] MC41937 [0,1,0,0,0,0|2,0,1]=4 54 B7R0.2 COC(=O)CC(C)=O MC41927 [0,1,0,0,0,0|1,0,1]=3 55 B7R0.2 COC(=O)CC(C)O CS11584 [0,1,0,0,0,0|1,0,2]=4 56 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,1,0,0,0,0|1,0,0]=2 57 B7R0.3 C=CCOC(=O)CCl MC428296 [0,1,0,0,0,0|1,0,2]=4 58 B7R0.3 COC(=O)CCC=O MC21172 [0,1,0,0,0,0|2,0,1]=4 59 B7R0.3 COC(=O)CCCBr MC427387 [0,1,0,0,0,0|1,0,2]=4 60 B7R0.3 COC(=O)CCCN MC439309 [0,1,0,0,0,0|1,0,2]=4 61 B7R0.3 COC(=O)\C=C\CBr CS13509 [0,1,0,0,0,0|1,0,0]=2 62 B7R0.3 CO\C=C\C(=O)OC CS11630 [0,1,0,0,0,0|1,0,0]=2 63 B7R0.3 O=C(CCl)\N=C\NO MC107742 [0,1,0,0,0,0|3,0,0]=4 64 B7R0.5 CC(C)C(=O)CC#N MC41933 [0,1,0,0,0,0|1,0,2]=4 65 B7R0.5 CCOC(=O)C(C)C CS11388 [0,1,0,0,0,0|1,0,1]=3 66 B7R0.5 CCOC(=O)C(C)F MC439605 [0,1,0,0,0,0|1,0,1]=3 67 B7R0.5 CCOC(=O)C(C)N CS15404 [0,1,0,0,0,0|1,0,1]=3 68 B7R0.5 CCOC(=O)C(C)N MC436160 [0,1,0,0,0,0|1,0,1]=3 69 B7R0.5 CCOC(=O)C(C)O CS20075 [0,1,0,0,0,0|1,0,1]=3 70 B7R0.5 CCOC(=O)C(F)Br MC41908 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.5 CCOC(=O)C(F)Cl MC41909 [0,1,0,0,0,0|2,0,1]=4 72 B7R0.5 CCOC(=O)C(F)F CS11385 [0,1,0,0,0,0|2,0,1]=4 73 B7R0.5 CNCC(=O)N(C)C MC438152 [0,1,0,0,0,0|2,0,1]=4 74 B7R0.7 CC#CC(=O)OCC CS10117 [0,1,0,0,0,0|0,0,2]=3 75 B7R0.7 CCOC(=O)CC#N MC41911 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.7 CCOC(=O)CCN CS14330 [0,1,0,0,0,0|1,0,1]=3 77 B7R0.7 CCOC(=O)CNC CS17068 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.7 CCOC(=O)CNN CS19987 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.7 CCOC(=O)COC CS11389 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.7 O=C(CCCl)CCCl CS19912 [0,1,0,0,0,0|1,0,2]=4 81 B7R0.10 C=C(CBr)C(=O)OC CS11592 [0,1,0,0,0,0|2,0,1]=4 82 B7R0.10 C=C(CO)C(=O)OC CS12335 [0,1,0,0,0,0|2,0,1]=4 83 B7R0.10 CCC(Br)C(=O)OC CS14136 [0,1,0,0,0,0|1,0,2]=4 84 B7R0.10 CCC(N)C(=O)OC MC436010 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.10 CNC(C)C(=O)OC MC437898 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.10 COC(=O)C(=O)CBr CS15824 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.10 CON(C)C(=O)CCl MC33020 [0,1,0,0,0,0|3,0,0]=4 88 B7R1.1 BrCC1=CC=CS1 MC111260 [0,0,0,1,0,0|1,1,1]=4 89 B7R1.1 BrCC1=CC=NO1 MC114075 [0,0,0,1,0,0|2,0,1]=4 90 B7R1.1 BrCC1=COC=C1 MC111404 [0,0,0,1,0,0|3,0,0]=4 91 B7R1.1 CCC1=NC=CN1 CS21533 [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 CCN1C=CC=N1 CS20681 [0,0,0,1,0,0|2,0,1]=4 93 B7R1.1 COC1=CSC=C1 CS22351 [0,0,0,1,0,0|3,0,0]=4 94 B7R1.1 ClCC1=CC=CO1 CS13429 [0,0,0,1,0,0|1,0,2]=4 95 B7R1.1 ClCC1=NNC=C1 MC442276 [0,0,0,1,0,0|3,0,0]=4 96 B7R1.1 NCC1=CC=CN1 CS14874 [0,0,0,1,0,0|2,0,1]=4 97 B7R1.1 NCC1=CC=CO1 MC41689 [0,0,0,1,0,0|1,0,2]=4 98 B7R1.1 NCC1=CC=CS1 CS22783 [0,0,0,1,0,0|1,1,1]=4 99 B7R1.1 NCC1=CSC=C1 CS22417 [0,0,0,1,0,0|3,0,0]=4 100 B7R1.1 NCC1=NNC=C1 CS15493 [0,0,0,1,0,0|3,0,0]=4 101 B7R1.1 NCC1=NSC=C1 MC105065 [0,0,0,1,0,0|3,0,0]=4 102 B7R1.1 OCC1=CC=CO1 MC41687 [0,0,0,1,0,0|1,0,2]=4 103 B7R1.1 OCC1=CC=NO1 CS15343 [0,0,0,1,0,0|2,0,1]=4 104 B7R1.1 OCC1=COC=C1 CS22303 [0,0,0,1,0,0|3,0,0]=4 105 B7R1.1 OCC1=CSC=C1 CS18039 [0,0,0,1,0,0|3,0,0]=4 106 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,1,0,0|0,0,0]=1 107 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,1,0,0|1,0,0]=2 108 B7R1.2 CC1=CC(=O)NN1 CS22601 [0,0,0,1,0,0|2,0,0]=3 109 B7R1.2 CC1=CC(Br)=CS1 CS22736 [0,0,0,1,0,0|2,0,1]=4 110 B7R1.2 CC1=CC(Br)=NN1 CS12832 [0,0,0,1,0,0|3,0,0]=4 111 B7R1.2 CC1=CC(Br)=NO1 MC113406 [0,0,0,1,0,0|3,0,0]=4 112 B7R1.2 CC1=CC(C)=NN1 CS19982 [0,0,0,1,0,0|3,0,0]=4 113 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,0,0,1,0,0|3,0,0]=4 114 B7R1.2 CC1=CC(I)=NN1 CS16887 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.2 CC1=CSC(N)=C1 MC113026 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.2 CC1=CSC(N)=C1 MC121228 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,0,0,1,0,0|3,0,0]=4 119 B7R1.2 CC1=NNC(=O)S1 MC107311 [0,0,0,1,0,0|3,0,0]=4 120 B7R1.2 CC1=NOC(N)=C1 CS16239 [0,0,0,1,0,0|3,0,0]=4 121 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.2 CC1=NSC(Br)=C1 CS10288 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.2 CC1=NSC(I)=C1 MC100265 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.2 CC1=NSC(N)=C1 CS16387 [0,0,0,1,0,0|3,0,0]=4 125 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,1,0,0|2,0,1]=4 126 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,1,0,0|2,0,1]=4 127 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,1,0,0|1,0,1]=3 128 B7R1.2 NC1=CC(=O)NN1 CS13152 [0,0,0,1,0,0|3,0,0]=4 129 B7R1.2 NC1=NCC(=O)N1 MC102809 [0,0,0,1,0,0|3,0,0]=4 130 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,0,0,1,0,0|2,0,0]=3 131 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,0,0,1,0,0|2,0,0]=3 132 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,1,0,0|2,0,0]=3 133 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.2 O=C1CNC(=S)N1 MC427395 [0,0,0,1,0,0|3,0,0]=4 136 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,0,0,1,0,0|3,0,0]=4 137 B7R1.3 O=C1C=CC=CN1 CS18724 [0,0,0,1,0,0|1,0,2]=4 138 B7R1.3 O=C1C=CC=NN1 CS19793 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.3 O=C1C=CCCC1 MC41883 [0,0,0,1,0,0|0,0,0]=1 140 B7R1.3 O=C1C=CCCN1 CS15771 [0,0,0,1,0,0|1,0,0]=2 141 B7R1.3 O=C1C=CCOC1 CS17023 [0,0,0,1,0,0|1,0,0]=2 142 B7R1.3 O=C1C=CN=CN1 CS19105 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.3 O=C1C=CNN=C1 MC427203 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.3 O=C1CCCCN1 MC429045 [0,0,0,1,0,0|1,0,1]=3 145 B7R1.3 O=C1CCCCO1 CS11208 [0,0,0,1,0,0|1,0,1]=3 146 B7R1.3 O=C1CCCNC1 CS14768 [0,0,0,1,0,0|1,0,1]=3 147 B7R1.3 O=C1CCCNC1 CS17767 [0,0,0,1,0,0|1,0,1]=3 148 B7R1.3 O=C1CCCOC1 MC31097 [0,0,0,1,0,0|1,0,1]=3 149 B7R1.3 O=C1CCNCC1 CS22790 [0,0,0,1,0,0|1,0,2]=4 150 B7R1.3 O=C1CCOCC1 CS13380 [0,0,0,1,0,0|1,0,2]=4 151 B7R1.3 O=C1CCSCC1 CS18797 [0,0,0,1,0,0|1,0,2]=4 152 B7R1.3 O=C1CNCCN1 CS19142 [0,0,0,1,0,0|2,0,1]=4 153 B7R1.3 O=C1CNCCO1 MC441004 [0,0,0,1,0,0|2,0,1]=4 154 B7R1.3 O=C1COCCN1 CS11697 [0,0,0,1,0,0|2,0,1]=4 155 B7R1.3 O=C1COCCO1 MC20725 [0,0,0,1,0,0|2,0,1]=4 156 B7R1.4 CC1=CC=NN1C CS19266 [0,0,0,1,0,0|3,0,0]=4 157 B7R1.4 CC1OCCC1=O CS14135 [0,0,0,1,0,0|1,0,2]=4 158 B7R1.4 CN1CCCC1=O MC41699 [0,0,0,1,0,0|1,0,2]=4 159 B7R1.4 CN1N=CC=C1Br CS12124 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.4 CN1N=CC=C1N CS22609 [0,0,0,1,0,0|3,0,0]=4 161 B7R1.4 CN1N=CC=C1O CS10399 [0,0,0,1,0,0|2,0,1]=4 162 B7R1.4 CN1N=CCC1=O CS15601 [0,0,0,1,0,0|2,0,1]=4 163 B7R1.4 NC1CCNC1=O MC107169 [0,0,0,1,0,0|2,0,1]=4 164 B7R1.4 NC1CCNC1=O MC115917 [0,0,0,1,0,0|2,0,1]=4 165 B7R1.4 NC1CCOC1=O CS18578 [0,0,0,1,0,0|2,0,1]=4 166 B7R1.4 NC1CCOC1=O MC439296 [0,0,0,1,0,0|2,0,1]=4 167 B7R1.4 NC1CCSC1=O MC428331 [0,0,0,1,0,0|2,0,1]=4 168 B7R1.4 NC1CONC1=O CS19264 [0,0,0,1,0,0|3,0,0]=4 169 B7R1.4 NC1CONC1=O CS22528 [0,0,0,1,0,0|3,0,0]=4 170 B7R1.4 NC1CONC1=O MC436879 [0,0,0,1,0,0|3,0,0]=4 171 B7R1.4 O=C1CCCC1Br MC445112 [0,0,0,1,0,0|1,0,2]=4 172 B7R1.4 O=C1NCCC1O CS19486 [0,0,0,1,0,0|2,0,1]=4 173 B7R1.4 O=C1NCCC1O MC115910 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.4 O=C1NCCC1O MC444274 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.6 COC=C1COC1 MC113188 [0,0,0,1,0,0|3,0,0]=4 176 B7R1.8 O=C1CCC1CO MC104211 [0,0,0,1,0,0|1,0,2]=4 177 B7R1.8 O=C1CCC1CO MC104212 [0,0,0,1,0,0|1,0,2]=4 178 B7R1.8 O=C1CCC1CO MC104213 [0,0,0,1,0,0|1,0,2]=4 179 B7R1.22 COC(=O)C1CC1 MC41839 [0,0,0,1,0,0|1,0,2]=4 180 B7R1.22 O=C(CBr)C1CC1 MC433212 [0,0,0,1,0,0|1,0,2]=4 181 B4R0.1 C=CC(N)=O MC41857 [2,0,0,0,0,0|1,0,0]=3 182 B4R0.1 CC(=O)CBr MC20986 [2,0,0,0,0,0|1,0,0]=3 183 B4R0.1 CC(=O)CN CS10921 [2,0,0,0,0,0|1,0,0]=3 184 B4R0.1 CC(=O)CO CS11467 [2,0,0,0,0,0|1,0,0]=3 185 B4R0.1 CC(=O)NN CS10881 [2,0,0,0,0,0|2,0,0]=4 186 B4R0.1 CC(=O)NO CS14961 [2,0,0,0,0,0|2,0,0]=4 187 B4R0.1 CCC(C)O MC10786 [2,0,0,0,0,0|0,0,2]=4 188 B4R0.1 CCC(N)=O CS11886 [2,0,0,0,0,0|1,0,0]=3 189 B4R0.1 CNC(N)=O MC10792 [2,0,0,0,0,0|2,0,0]=4 190 B4R0.1 COC(N)=O CS11667 [2,0,0,0,0,0|2,0,0]=4 191 B4R0.1 C\C=C(/C)Br MC10255 [2,0,0,0,0,0|1,0,0]=3 192 B4R0.1 NC(=O)CBr CS21389 [2,0,0,0,0,0|2,0,0]=4 193 B4R0.1 NCC(=O)O CS19951 [2,0,0,0,0,0|2,0,0]=4 194 B4R0.1 NCC(=O)[O-] CS10910 [2,0,0,0,0,0|2,0,0]=4 195 B4R0.1 NCC(=O)[O-] MC20522 [2,0,0,0,0,0|2,0,0]=4 196 B4R0.1 NCC(N)=O CS13806 [2,0,0,0,0,0|2,0,0]=4 197 B4R0.1 NCC(N)=O MC437712 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.1 O=C(Cl)CBr MC21000 [2,0,0,0,0,0|2,0,0]=4 199 B4R0.1 O=C(O)CCl MC41871 [2,0,0,0,0,0|2,0,0]=4 200 B4R0.1 O=C(O)CO CS19334 [2,0,0,0,0,0|2,0,0]=4 201 B4R0.1 O=C([O-])CCl MC41872 [2,0,0,0,0,0|2,0,0]=4 202 B4R0.2 C=COCC MC41915 [2,0,0,0,0,0|1,0,0]=3 203 B4R0.2 CCCC=O MC41868 [2,0,0,0,0,0|0,0,2]=4 204 B4R0.2 CCNCC CS11240 [2,0,0,0,0,0|1,0,1]=4 205 B4R0.2 CCOC=N MC33024 [2,0,0,0,0,0|2,0,0]=4 206 B4R0.2 CCOC=O MC41912 [2,0,0,0,0,0|1,0,1]=4 207 B4R0.2 CCOCC MC41960 [2,0,0,0,0,0|1,0,1]=4 208 B4R0.2 CC[Zn]CC MC10752 [2,0,0,0,0,0|1,0,1]=4 209 B4R0.2 C\C=C\C=O MC41879 [2,0,0,0,0,0|0,0,0]=2 210 B6R0.2 CC(=O)\C=C(/C)N MC105899 [1,1,0,0,0,0|0,0,0]=2 211 B6R0.2 CC(C)=CC(=O)O CS14947 [1,1,0,0,0,0|1,0,0]=3 212 B6R0.3 CCC(=O)C(=O)O CS21626 [1,1,0,0,0,0|1,0,1]=4 213 B6R0.3 CON(C)C(C)=O CS11789 [1,1,0,0,0,0|2,0,0]=4 214 B6R0.4 C=C\C=C\C(=O)O CS12033 [1,1,0,0,0,0|1,0,1]=4 215 B6R0.4 CC(=O)CCCBr CS10305 [1,1,0,0,0,0|0,0,2]=4 216 B6R0.4 CC(=O)CCCCl CS10334 [1,1,0,0,0,0|0,0,2]=4 217 B6R0.4 CC(=O)NCCCl MC33011 [1,1,0,0,0,0|1,0,1]=4 218 B6R0.4 CO\C=C\C(C)=O MC33352 [1,1,0,0,0,0|0,0,0]=2 219 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,2,0,0,0,0|0,0,0]=2 220 B8R0.5 CCOC(=O)CC(=N)N MC41916 [0,2,0,0,0,0|1,0,1]=4 221 B8R0.5 CCOC(=O)CC(=O)Cl MC20855 [0,2,0,0,0,0|1,0,1]=4 222 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,2,0,0,0,0|0,0,1]=3 223 B8R0.5 CCOC(=O)CC(C)O CS11353 [0,2,0,0,0,0|0,0,2]=4 224 B8R0.5 CCOC(=O)CC(C)O CS18545 [0,2,0,0,0,0|0,0,2]=4 225 B8R0.5 CCOC(=O)CC(N)=O CS18301 [0,2,0,0,0,0|1,0,1]=4 226 B8R0.5 CCOC(=O)OC(C)Cl CS20668 [0,2,0,0,0,0|1,0,1]=4 227 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,2,0,0,0,0|0,0,0]=2 228 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,2,0,0,0,0|0,0,1]=3 229 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,2,0,0,0,0|0,0,1]=3 230 B8R0.19 COC(=O)CC(=O)CCl MC20592 [0,2,0,0,0,0|1,0,1]=4 231 B8R0.19 O=C(CF)OC(=O)CF MC107082 [0,2,0,0,0,0|2,0,0]=4 232 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,2,0,0,0,0|0,0,1]=3 233 B8R0.23 CC(=O)CC(=O)C(F)F MC429540 [0,2,0,0,0,0|1,0,1]=4 234 B8R0.23 CC(C)OC(=O)C(C)N CS14281 [0,2,0,0,0,0|1,0,1]=4 235 B8R0.23 CC(C)OC(=O)C(C)N MC436161 [0,2,0,0,0,0|1,0,1]=4 236 B8R0.23 CC(C)OC(=O)C(C)N MC439194 [0,2,0,0,0,0|1,0,1]=4 237 B8R0.1 C#CCCC(=O)OCC MC424003 [0,2,0,0,0,0|1,0,1]=4 238 B8R0.1 CCOC(=O)CCCO MC111642 [0,2,0,0,0,0|0,0,2]=4 239 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [0,2,0,0,0,0|0,0,1]=3 240 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,2,0,0,0,0|0,0,0]=2 241 B8R0.3 C=C(CBr)C(=O)OCC CS11325 [0,2,0,0,0,0|1,0,1]=4 242 B8R0.3 C=C(CO)C(=O)OCC CS20908 [0,2,0,0,0,0|1,0,1]=4 243 B8R0.3 CCNC(=O)C(N)CC MC116564 [0,2,0,0,0,0|0,0,2]=4 244 B8R0.3 CCNC(=O)C(N)CC MC116565 [0,2,0,0,0,0|0,0,2]=4 245 B8R0.3 CCOC(=O)C(=O)CBr CS18430 [0,2,0,0,0,0|1,0,1]=4 246 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,2,0,0,0,0|0,0,1]=3 247 B8R0.3 CCOC(=O)C(=O)NN CS13814 [0,2,0,0,0,0|2,0,0]=4 248 B8R0.3 CCOC(=O)C(C)C#N CS21515 [0,2,0,0,0,0|1,0,1]=4 249 B8R0.3 CCOC(=O)C(Cl)C=O MC444619 [0,2,0,0,0,0|1,0,1]=4 250 B8R0.3 CCOC(=O)C(N)CO CS13449 [0,2,0,0,0,0|1,0,1]=4 251 B8R0.3 CCOC(=O)C(N)CO CS17107 [0,2,0,0,0,0|1,0,1]=4 252 B8R0.3 CCOC(=O)C(N)CO MC439193 [0,2,0,0,0,0|1,0,1]=4 253 B8R0.3 CCOC(=O)C(N)CS CS16176 [0,2,0,0,0,0|1,0,1]=4 254 B8R0.3 CCOC(=O)\C(Cl)=N/O CS16217 [0,2,0,0,0,0|2,0,0]=4 255 B8R0.3 CO\C=C(\I)C(=O)OC MC102977 [0,2,0,0,0,0|1,0,0]=3 256 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,2,0,0,0,0|1,0,0]=3 257 B8R0.9 CNC(=O)CNC(C)=O MC436060 [0,2,0,0,0,0|1,0,1]=4 258 B8R0.14 CCOC(=O)C(C)(C)N CS18617 [0,2,0,0,0,0|1,0,1]=4 259 B6R1.2 CC1=CC=CN1 CS21660 [1,0,0,1,0,0|1,0,1]=4 260 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,1,0,0|0,0,2]=4 261 B6R1.2 CC1=CC=CS1 CS21701 [1,0,0,1,0,0|0,1,1]=4 262 B6R1.2 CC1=CC=NN1 MC21108 [1,0,0,1,0,0|2,0,0]=4 263 B6R1.2 CC1=CNC=C1 MC20689 [1,0,0,1,0,0|2,0,0]=4 264 B6R1.2 CC1=NNC=C1 CS13720 [1,0,0,1,0,0|2,0,0]=4 265 B6R1.2 CC1=NOC=C1 CS11533 [1,0,0,1,0,0|2,0,0]=4 266 B6R1.2 O=C1C=CNN1 MC106502 [1,0,0,1,0,0|2,0,0]=4 267 B6R1.2 O=C1C=CON1 MC442265 [1,0,0,1,0,0|2,0,0]=4 268 B6R1.2 O=C1C=CSN1 MC427073 [1,0,0,1,0,0|2,0,0]=4 269 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,1,0,0|0,0,2]=4 270 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,1,0,0|1,0,1]=4 271 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,1,0,0|1,0,1]=4 272 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,1,0,0|1,0,1]=4 273 B6R1.1 C1=CCNCC1 MC444071 [1,0,0,1,0,0|1,0,1]=4 274 B6R1.1 C1=CCOCC1 MC427315 [1,0,0,1,0,0|1,0,1]=4 275 B6R1.1 C1=CCSCC1 MC427366 [1,0,0,1,0,0|1,0,1]=4 276 B6R1.1 C1=COCCC1 MC20500 [1,0,0,1,0,0|1,0,0]=3 277 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [0,1,0,1,0,0|1,0,1]=4 278 B8R1.1 CC1=CC(CO)=NN1 CS17779 [0,1,0,1,0,0|2,0,0]=4 279 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,1,0,1,0,0|1,0,1]=4 280 B8R1.1 CC1=COC(CN)=C1 MC105034 [0,1,0,1,0,0|1,0,1]=4 281 B8R1.1 CC1=NC(CCl)=CS1 MC442177 [0,1,0,1,0,0|2,0,0]=4 282 B8R1.1 CC1=NC(CN)=CN1 MC107345 [0,1,0,1,0,0|2,0,0]=4 283 B8R1.1 CC1=NC(CO)=CS1 MC430697 [0,1,0,1,0,0|2,0,0]=4 284 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [0,1,0,1,0,0|2,0,0]=4 285 B8R1.1 CCC1=NNC(N)=C1 CS18101 [0,1,0,1,0,0|2,0,0]=4 286 B8R1.1 CCN1C=C[N+](C)=C1 MC107104 [0,1,0,1,0,0|2,0,0]=4 287 B8R1.1 NCc1cc(=O)no1 MC437997 [0,1,0,1,0,0|2,0,0]=4 288 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,1,0,0|1,0,1]=4 289 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,1,0,0|1,0,1]=4 290 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,1,0,1,0,0|0,0,2]=4 292 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,1,0,1,0,0|0,0,2]=4 293 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,1,0,1,0,0|0,0,2]=4 295 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,1,0,1,0,0|0,0,2]=4 296 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,1,0,1,0,0|0,0,2]=4 297 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,1,0,1,0,0|0,0,2]=4 298 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,1,0,1,0,0|0,0,2]=4 299 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,1,0,1,0,0|0,0,2]=4 300 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,1,0,1,0,0|1,0,1]=4 301 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,1,0,1,0,0|1,0,1]=4 302 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,1,0,1,0,0|1,0,1]=4 304 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,1,0,1,0,0|1,0,1]=4 305 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,1,0,1,0,0|1,0,1]=4 306 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,1,0,1,0,0|1,0,1]=4 307 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,1,0,1,0,0|1,0,1]=4 308 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,1,0,1,0,0|0,0,1]=3 309 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,1,0,1,0,0|1,0,0]=3 310 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,1,0,1,0,0|1,0,1]=4 311 B8R1.4 O=C1CNCC(=O)N1 CS19079 [0,1,0,1,0,0|2,0,0]=4 312 B8R1.18 CC1=C(C)OC(=O)O1 CS18029 [0,1,0,1,0,0|1,0,1]=4 313 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [0,1,0,1,0,0|1,0,0]=3 314 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,1,0,1,0,0|1,0,0]=3 315 B8R1.18 CC1=CC(C)=NN1C CS19810 [0,1,0,1,0,0|2,0,0]=4 316 B8R1.18 CC1=CC(I)=C(C)S1 MC425075 [0,1,0,1,0,0|1,0,1]=4 317 B8R1.18 CC1=CC(N)=NN1C CS13792 [0,1,0,1,0,0|2,0,0]=4 318 B8R1.18 CC1=NN(C)C(=O)C1 CS17716 [0,1,0,1,0,0|1,0,1]=4 319 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,1,0,0|1,0,0]=3 320 B8R1.18 CC1NC(=O)OC1=O CS17248 [0,1,0,1,0,0|2,0,0]=4 321 B8R1.18 CC1NC(=O)OC1=O MC428306 [0,1,0,1,0,0|2,0,0]=4 322 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,1,0,1,0,0|2,0,0]=4 323 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,1,0,1,0,0|2,0,0]=4 324 B8R1.2 BrCC1=CCCCC1 MC103521 [0,1,0,1,0,0|1,0,1]=4 325 B8R1.2 Br[Zn]C1C=CCCC1 MC116069 [0,1,0,1,0,0|1,0,1]=4 326 B8R1.2 CCC1=CC=CC=C1 MC41556 [0,1,0,1,0,0|1,0,1]=4 327 B8R1.2 CCC1=CC=CN=C1 CS22277 [0,1,0,1,0,0|1,0,1]=4 328 B8R1.2 CCC1=NC=CN=C1 CS21534 [0,1,0,1,0,0|1,0,1]=4 329 B8R1.2 O=CC1=CCCOC1 CS10171 [0,1,0,1,0,0|1,0,1]=4 330 B8R1.3 C=C1CCC(=O)CC1 MC106742 [0,1,0,1,0,0|0,0,2]=4 331 B8R1.3 CC1=CNC(=O)C=C1 CS21591 [0,1,0,1,0,0|0,0,2]=4 332 B8R1.3 CC1=NNC(=O)C=C1 CS19836 [0,1,0,1,0,0|2,0,0]=4 333 B8R1.3 CN1CC=C(Br)CC1 MC425142 [0,1,0,1,0,0|1,0,1]=4 334 B8R1.3 CN1CCC(=O)CC1 CS18410 [0,1,0,1,0,0|0,0,2]=4 335 B8R1.3 NC1CCC(=O)CC1 CS22583 [0,1,0,1,0,0|0,0,2]=4 336 B8R1.3 NC1CCC(=O)NC1 MC113024 [0,1,0,1,0,0|1,0,1]=4 337 B8R1.3 NC1CCC(=O)NC1 MC444382 [0,1,0,1,0,0|1,0,1]=4 338 B8R1.3 O=C1CCC(=O)CC1 CS19236 [0,1,0,1,0,0|1,0,1]=4 339 B8R1.3 O=C1CCC(=O)NC1 CS21155 [0,1,0,1,0,0|1,0,1]=4 340 B8R1.3 O=C1CCC(O)CC1 CS22889 [0,1,0,1,0,0|0,0,2]=4 341 B8R1.5 CC1CCNCC1=O MC105562 [0,1,0,1,0,0|0,0,2]=4 342 B8R1.5 CC1CNCCC1=O MC106748 [0,1,0,1,0,0|0,0,2]=4 343 B8R1.5 CC1COCCC1=O MC425868 [0,1,0,1,0,0|0,0,2]=4 344 B8R1.5 NC1CCCNC1=O MC106744 [0,1,0,1,0,0|1,0,1]=4 345 B8R1.5 O=C1CCCC=C1I MC106097 [0,1,0,1,0,0|0,0,0]=2 346 B8R1.5 O=C1CCCCC1=O CS20486 [0,1,0,1,0,0|0,0,1]=3 347 B8R1.5 O=C1NCCCC1Br CS14644 [0,1,0,1,0,0|1,0,1]=4 348 B8R1.5 O=C1NCCCC1O CS19689 [0,1,0,1,0,0|1,0,1]=4 349 B8R1.5 O=C1OCCCC1O CS16147 [0,1,0,1,0,0|1,0,1]=4 350 B8R1.22 O=C1CCCNCC1 CS19096 [0,1,0,1,0,0|0,0,2]=4 351 B8R1.22 O=C1CCNCCN1 CS18857 [0,1,0,1,0,0|1,0,1]=4 352 B8R1.22 O=C1CCSCCN1 MC121122 [0,1,0,1,0,0|1,0,1]=4 353 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,1,0,0|0,0,0]=2 354 B8R1.50 CC1=CNC(C)=C1C CS16478 [0,1,0,1,0,0|1,0,1]=4 355 B8R1.50 CC1=NC=C(Br)N1C MC425507 [0,1,0,1,0,0|2,0,0]=4 356 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,1,0,1,0,0|1,0,1]=4 357 B8R1.50 O=C1CCC(=O)N1Br CS19757 [0,1,0,1,0,0|2,0,0]=4 358 B8R1.50 O=C1CCC(=O)N1I CS19758 [0,1,0,1,0,0|2,0,0]=4 359 B8R1.50 O=C1CCC(=O)N1O CS19674 [0,1,0,1,0,0|2,0,0]=4 360 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,1,0,1,0,0|0,0,2]=4 361 B8R1.8 NCCC1=CSC=C1 CS22098 [0,1,0,1,0,0|2,0,0]=4 362 B8R1.8 OCCC1=CC=CS1 CS14939 [0,1,0,1,0,0|0,1,1]=4 363 B8R1.8 OCCC1=CSC=C1 CS20858 [0,1,0,1,0,0|2,0,0]=4 364 B8R1.11 CCC1=NNC=C1I MC106505 [0,1,0,1,0,0|2,0,0]=4 365 B8R1.11 CCN1N=CC=C1N MC444111 [0,1,0,1,0,0|2,0,0]=4 366 B8R1.11 CN1N=CC=C1C=O CS18205 [0,1,0,1,0,0|2,0,0]=4 367 B8R1.11 O=C1NCCC1CO MC104392 [0,1,0,1,0,0|1,0,1]=4 368 B8R2.34 C1=CC2CCC1C2 CS11805 [0,0,0,2,0,0|1,0,1]=4