0 B8R1.4 CC1=CC(=O)NN=C1 CS10446 [0,0,0,0,0,0|2,0,1]=3 1 B8R1.4 CC1=CC(Br)=NC=C1 CS19246 [0,0,0,0,0,0|2,0,2]=4 2 B8R1.4 CC1=CC(Br)=NC=N1 CS13070 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.4 CC1=CC(C)=NC=N1 CS19849 [0,0,0,0,0,0|3,0,1]=4 4 B8R1.4 CC1=CC(Cl)=CC=C1 MC41511 [0,0,0,0,0,0|1,0,3]=4 5 B8R1.4 CC1=CC(Cl)=NC=C1 CS23009 [0,0,0,0,0,0|2,0,2]=4 6 B8R1.4 CC1=CC(Cl)=NC=N1 CS22963 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.4 CC1=CC(F)=NC=C1 CS21868 [0,0,0,0,0,0|2,0,2]=4 8 B8R1.4 CC1=CC(N)=NC=C1 CS15630 [0,0,0,0,0,0|2,0,2]=4 9 B8R1.4 CC1=CC(N)=NC=N1 CS12473 [0,0,0,0,0,0|3,0,1]=4 10 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [0,0,0,0,0,0|1,0,3]=4 11 B8R1.4 CC1=CC(O)=NC=N1 CS19796 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.4 CC1=CC(O)CCC1 MC111652 [0,0,0,0,0,0|0,0,2]=2 13 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [0,0,0,0,0,0|1,0,3]=4 14 B8R1.4 CC1=CC=CC(Br)=C1 CS19957 [0,0,0,0,0,0|1,0,3]=4 15 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [0,0,0,0,0,0|1,0,3]=4 16 B8R1.4 CC1=CC=CC(F)=C1 CS19910 [0,0,0,0,0,0|1,0,3]=4 17 B8R1.4 CC1=CC=CC(I)=C1 CS19968 [0,0,0,0,0,0|1,0,3]=4 18 B8R1.4 CC1=CC=CC(N)=C1 CS11698 [0,0,0,0,0,0|1,0,3]=4 19 B8R1.4 CC1=CC=CC(O)=C1 MC41203 [0,0,0,0,0,0|0,0,4]=4 20 B8R1.4 CC1=CC=CC(S)=C1 MC41411 [0,0,0,0,0,0|0,1,3]=4 21 B8R1.4 CC1=CN=CC(Br)=C1 CS19250 [0,0,0,0,0,0|2,0,2]=4 22 B8R1.4 CC1=CN=CC(Cl)=C1 CS13884 [0,0,0,0,0,0|2,0,2]=4 23 B8R1.4 CC1=CN=CC(F)=C1 CS19335 [0,0,0,0,0,0|2,0,2]=4 24 B8R1.4 CC1=CN=CC(I)=C1 MC429681 [0,0,0,0,0,0|2,0,2]=4 25 B8R1.4 CC1=CN=CC(N)=C1 CS14172 [0,0,0,0,0,0|2,0,2]=4 26 B8R1.4 CC1=CN=CC(O)=C1 CS14332 [0,0,0,0,0,0|1,0,3]=4 27 B8R1.4 CC1=CN=NC(C)=C1 MC41672 [0,0,0,0,0,0|3,0,1]=4 28 B8R1.4 CC1=CN=NC(Cl)=C1 MC444261 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.4 CC1=CN=NC(N)=C1 MC427168 [0,0,0,0,0,0|3,0,1]=4 30 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [0,0,0,0,0,0|2,0,2]=4 31 B8R1.4 CC1=NC=CC(Br)=C1 CS13967 [0,0,0,0,0,0|2,0,2]=4 32 B8R1.4 CC1=NC=CC(Cl)=C1 CS14214 [0,0,0,0,0,0|2,0,2]=4 33 B8R1.4 CC1=NC=CC(F)=C1 CS15882 [0,0,0,0,0,0|2,0,2]=4 34 B8R1.4 CC1=NC=CC(I)=C1 CS22899 [0,0,0,0,0,0|2,0,2]=4 35 B8R1.4 CC1=NC=CC(N)=C1 CS19520 [0,0,0,0,0,0|2,0,2]=4 36 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [0,0,0,0,0,0|1,0,3]=4 37 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,0,0,0,0,0|1,0,2]=3 38 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,0,0,0,0,0|1,0,2]=3 39 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,0,0,0,0,0|1,0,2]=3 40 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,0,0,0,0,0|1,0,2]=3 41 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,0,0,0,0,0|1,0,2]=3 42 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,0,0,0,0,0|1,0,2]=3 43 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,0,0,0,0,0|2,0,1]=3 44 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,0,0,0,0,0|2,0,1]=3 45 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,0,0,0,0,0|2,0,1]=3 46 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,0,0,0,0,0|2,0,2]=4 47 B8R1.4 CN1CCCC(N)C1 MC102357 [0,0,0,0,0,0|2,0,2]=4 48 B8R1.4 CN1CCCC(N)C1 MC444039 [0,0,0,0,0,0|2,0,2]=4 49 B8R1.4 CN1CCCC(N)C1 MC444227 [0,0,0,0,0,0|2,0,2]=4 50 B8R1.4 CN1CCCC(O)C1 MC445500 [0,0,0,0,0,0|1,0,3]=4 51 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,0,0,0,0,0|2,0,1]=3 52 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,0,0,0,0,0|2,0,1]=3 53 B8R1.4 NC1=CC(=O)NN=C1 MC104083 [0,0,0,0,0,0|3,0,1]=4 54 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,0,0,0,0,0|2,0,2]=4 55 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,0,0,0,0,0|2,0,2]=4 56 B8R1.4 O=C1C=C(Cl)C=NN1 CS12688 [0,0,0,0,0,0|3,0,1]=4 57 B8R1.4 O=C1C=C(I)C=CN1 CS22900 [0,0,0,0,0,0|2,0,2]=4 58 B8R1.4 O=C1C=C(I)C=NN1 CS12955 [0,0,0,0,0,0|3,0,1]=4 59 B8R1.4 O=C1C=C(O)C=CN1 CS19356 [0,0,0,0,0,0|2,0,2]=4 60 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,0,0,0,0,0|1,0,1]=2 61 B8R1.4 O=C1CCCC(=O)O1 CS11243 [0,0,0,0,0,0|2,0,0]=2 62 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,0,0,0,0,0|2,0,1]=3 63 B8R1.4 O=C1CNCC(=O)N1 CS19079 [0,0,0,0,0,0|3,0,0]=3 64 B7R1.3 CC1=CC=CN=C1 MC107850 [1,0,0,0,0,0|1,0,2]=4 65 B7R1.3 CC1=CC=CN=N1 CS22374 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.3 CC1=CC=NC=C1 MC31239 [1,0,0,0,0,0|1,0,2]=4 67 B7R1.3 CC1=CC=NC=C1 MC41625 [1,0,0,0,0,0|1,0,2]=4 68 B7R1.3 CC1=CN=NC=C1 CS22983 [1,0,0,0,0,0|2,0,1]=4 69 B7R1.3 CC1=NC=CC=C1 MC41623 [1,0,0,0,0,0|1,0,2]=4 70 B7R1.3 CC1=NC=NC=C1 CS19795 [1,0,0,0,0,0|2,0,1]=4 71 B7R1.3 CC1CCCCN1 MC20418 [1,0,0,0,0,0|1,0,2]=4 72 B7R1.3 CC1CCCNC1 CS16133 [1,0,0,0,0,0|1,0,2]=4 73 B7R1.3 CC1CCCNC1 MC425227 [1,0,0,0,0,0|1,0,2]=4 74 B7R1.3 CN1CC=CCC1 CS20742 [1,0,0,0,0,0|1,0,2]=4 75 B7R1.3 O=C1C=CC=CN1 CS18724 [1,0,0,0,0,0|1,0,2]=4 76 B7R1.3 O=C1C=CC=NN1 CS19793 [1,0,0,0,0,0|2,0,1]=4 77 B7R1.3 O=C1C=CCCC1 MC41883 [1,0,0,0,0,0|0,0,0]=1 78 B7R1.3 O=C1C=CCCN1 CS15771 [1,0,0,0,0,0|1,0,0]=2 79 B7R1.3 O=C1C=CCOC1 CS17023 [1,0,0,0,0,0|1,0,0]=2 80 B7R1.3 O=C1C=CN=CN1 CS19105 [1,0,0,0,0,0|2,0,1]=4 81 B7R1.3 O=C1C=CNN=C1 MC427203 [1,0,0,0,0,0|2,0,1]=4 82 B7R1.3 O=C1CCCCN1 MC429045 [1,0,0,0,0,0|1,0,1]=3 83 B7R1.3 O=C1CCCCO1 CS11208 [1,0,0,0,0,0|1,0,1]=3 84 B7R1.3 O=C1CCCNC1 CS14768 [1,0,0,0,0,0|1,0,1]=3 85 B7R1.3 O=C1CCCNC1 CS17767 [1,0,0,0,0,0|1,0,1]=3 86 B7R1.3 O=C1CCCOC1 MC31097 [1,0,0,0,0,0|1,0,1]=3 87 B7R1.3 O=C1CCNCC1 CS22790 [1,0,0,0,0,0|1,0,2]=4 88 B7R1.3 O=C1CCOCC1 CS13380 [1,0,0,0,0,0|1,0,2]=4 89 B7R1.3 O=C1CCSCC1 CS18797 [1,0,0,0,0,0|1,0,2]=4 90 B7R1.3 O=C1CNCCN1 CS19142 [1,0,0,0,0,0|2,0,1]=4 91 B7R1.3 O=C1CNCCO1 MC441004 [1,0,0,0,0,0|2,0,1]=4 92 B7R1.3 O=C1COCCN1 CS11697 [1,0,0,0,0,0|2,0,1]=4 93 B7R1.3 O=C1COCCO1 MC20725 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [0,1,0,0,0,0|1,0,2]=4 95 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [0,1,0,0,0,0|1,0,2]=4 96 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [0,1,0,0,0,0|0,0,3]=4 97 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [0,1,0,0,0,0|1,0,2]=4 98 B9R1.2 CCC1=CC(=O)N=CN1 MC106508 [0,1,0,0,0,0|2,0,1]=4 99 B9R1.2 COC1=CC(=O)NC=C1 CS12334 [0,1,0,0,0,0|1,0,2]=4 100 B9R1.2 NCC1=CC(=O)N=CN1 MC112983 [0,1,0,0,0,0|2,0,1]=4 101 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,1,0,0,0,0|1,0,2]=4 102 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,1,0,0,0,0|1,0,2]=4 103 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,0,0,0|1,0,2]=4 104 B9R1.2 O=C1COCC(CO)N1 CS17255 [0,1,0,0,0,0|2,0,1]=4 105 B9R1.3 CC1=C(C)C(=O)NC=C1 MC431551 [0,1,0,0,0,0|1,0,2]=4 106 B9R1.3 CC1=C(O)C(=O)C=CO1 MC21095 [0,1,0,0,0,0|1,0,2]=4 107 B9R1.3 CC1C(=O)CCCC1=O CS10132 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.3 CN1C(=O)CCCC1=O MC446647 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.3 CN1CCCC(N)C1=O MC103467 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.3 CN1CCCC(N)C1=O MC104792 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.3 CN1CCCC(N)C1=O MC106967 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.3 CN1CCCN(C)C1=O CS14637 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.3 CN1CCNC(=O)C1=O MC111667 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.34 CC1=CC(=O)C=C(O)O1 CS16601 [0,1,0,0,0,0|1,0,2]=4 115 B9R1.34 CC1=CC(=O)NC(=O)N1 CS15364 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.34 CC1=CC(=O)NC(N)=N1 CS14276 [0,1,0,0,0,0|2,0,1]=4 117 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,1,0,0,0,0|1,0,2]=4 119 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,1,0,0,0,0|1,0,2]=4 120 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,1,0,0,0,0|0,0,2]=3 121 B9R1.69 CC1=CC(=O)C=CC1=O MC41219 [0,1,0,0,0,0|0,0,3]=4 122 B9R1.69 CC1=CC(=O)N=NC1=O MC427493 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.69 CC1=CC(=O)NN=C1Cl CS15734 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.69 CC1CCC(=O)NC1=O MC427305 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.69 CC1CNC(=O)CC1=O CS12978 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.69 CN1CCC(=O)CC1=O MC105215 [0,1,0,0,0,0|2,0,1]=4 127 B9R1.69 NC1CCC(=O)NC1=O CS13348 [0,1,0,0,0,0|2,0,0]=3 128 B9R1.69 NC1CCC(=O)NC1=O MC105196 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.69 O=C1CCC(Br)C(=O)N1 MC106801 [0,1,0,0,0,0|2,0,0]=3 130 B7R0.2 CC(=O)\C=C(\C)O[Rh] MC445002 [0,0,1,0,0,0|2,0,0]=3 131 B7R0.2 CC(C)OC(=O)CO CS11522 [0,0,1,0,0,0|2,0,1]=4 132 B7R0.2 CCC(=O)CC(C)=O CS21124 [0,0,1,0,0,0|1,0,1]=3 133 B7R0.2 CCC(=O)OC(C)=O CS16382 [0,0,1,0,0,0|2,0,0]=3 134 B7R0.2 COC(=O)CC(C)=O MC41927 [0,0,1,0,0,0|2,0,1]=4 135 B7R0.2 COC(=O)\C=C(/C)N CS13690 [0,0,1,0,0,0|2,0,0]=3 136 B7R0.4 C#CCCCC(=O)O CS14686 [0,0,1,0,0,0|1,0,2]=4 137 B7R0.4 C=CCNCC(=O)O MC439317 [0,0,1,0,0,0|2,0,1]=4 138 B7R0.4 CC(=O)CCCCBr CS10627 [0,0,1,0,0,0|1,0,2]=4 139 B7R0.4 CCCOCC(=O)O MC425744 [0,0,1,0,0,0|2,0,1]=4 140 B7R0.4 NCCCCC(=O)O MC428108 [0,0,1,0,0,0|2,0,1]=4 141 B7R0.4 O=C(O)CCCCBr MC41866 [0,0,1,0,0,0|2,0,1]=4 142 B7R0.7 CC#CC(=O)OCC CS10117 [0,0,1,0,0,0|1,0,2]=4 143 B7R0.7 CCOC(=O)CCN CS14330 [0,0,1,0,0,0|2,0,1]=4 144 B7R0.7 CCOC(=O)CNC CS17068 [0,0,1,0,0,0|2,0,1]=4 145 B7R0.7 CCOC(=O)COC CS11389 [0,0,1,0,0,0|2,0,1]=4 146 B9R2.25 O=C1OC(=O)C2CC12 CS22387 [0,0,0,1,0,0|2,0,0]=3 147 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,1,0,0|0,0,2]=3 148 B7R1.2 CC1=CC(=O)CC1 CS22356 [0,0,0,0,1,0|0,0,0]=1 149 B7R1.2 CC1=CC(=O)CO1 MC429080 [0,0,0,0,1,0|1,0,0]=2 150 B7R1.2 CC1=CC(=O)NN1 CS22601 [0,0,0,0,1,0|2,0,0]=3 151 B7R1.2 CC1=CC(Br)=CS1 CS22736 [0,0,0,0,1,0|2,0,1]=4 152 B7R1.2 CC1=CC(Br)=NN1 CS12832 [0,0,0,0,1,0|3,0,0]=4 153 B7R1.2 CC1=CC(Br)=NO1 MC113406 [0,0,0,0,1,0|3,0,0]=4 154 B7R1.2 CC1=CC(C)=NN1 CS19982 [0,0,0,0,1,0|3,0,0]=4 155 B7R1.2 CC1=CC(C)=NO1 CS14107 [0,0,0,0,1,0|3,0,0]=4 156 B7R1.2 CC1=CC(I)=NN1 CS16887 [0,0,0,0,1,0|3,0,0]=4 157 B7R1.2 CC1=CSC(N)=C1 MC113026 [0,0,0,0,1,0|2,0,1]=4 158 B7R1.2 CC1=CSC(N)=C1 MC121228 [0,0,0,0,1,0|2,0,1]=4 159 B7R1.2 CC1=NNC(=O)C1 CS16242 [0,0,0,0,1,0|2,0,1]=4 160 B7R1.2 CC1=NNC(=O)O1 CS10427 [0,0,0,0,1,0|3,0,0]=4 161 B7R1.2 CC1=NNC(=O)S1 MC107311 [0,0,0,0,1,0|3,0,0]=4 162 B7R1.2 CC1=NOC(N)=C1 CS16239 [0,0,0,0,1,0|3,0,0]=4 163 B7R1.2 CC1=NSC(=O)O1 MC42245 [0,0,0,0,1,0|3,0,0]=4 164 B7R1.2 CC1=NSC(Br)=C1 CS10288 [0,0,0,0,1,0|3,0,0]=4 165 B7R1.2 CC1=NSC(I)=C1 MC100265 [0,0,0,0,1,0|3,0,0]=4 166 B7R1.2 CC1=NSC(N)=C1 CS16387 [0,0,0,0,1,0|3,0,0]=4 167 B7R1.2 CC1COC(=O)N1 CS14300 [0,0,0,0,1,0|2,0,1]=4 168 B7R1.2 CC1COC(=O)O1 MC428298 [0,0,0,0,1,0|2,0,1]=4 169 B7R1.2 CN1CCC(=O)C1 CS20760 [0,0,0,0,1,0|1,0,1]=3 170 B7R1.2 NC1=CC(=O)NN1 CS13152 [0,0,0,0,1,0|3,0,0]=4 171 B7R1.2 NC1=NCC(=O)N1 MC102809 [0,0,0,0,1,0|3,0,0]=4 172 B7R1.2 O=C1C=C(Br)CN1 MC431199 [0,0,0,0,1,0|2,0,0]=3 173 B7R1.2 O=C1C=C(Br)CN1 MC431360 [0,0,0,0,1,0|2,0,0]=3 174 B7R1.2 O=C1CCC(=O)N1 MC41707 [0,0,0,0,1,0|2,0,0]=3 175 B7R1.2 O=C1CCC(I)C1 MC115016 [0,0,0,0,1,0|1,0,2]=4 176 B7R1.2 O=C1CNC(=O)C1 MC116520 [0,0,0,0,1,0|2,0,1]=4 177 B7R1.2 O=C1CNC(=S)N1 MC427395 [0,0,0,0,1,0|3,0,0]=4 178 B7R1.2 O=C1CSC(=O)N1 CS22526 [0,0,0,0,1,0|3,0,0]=4 179 B7R1.4 CC1OCCC1=O CS14135 [0,0,0,0,1,0|1,0,1]=3 180 B7R1.4 CN1CCCC1=O MC41699 [0,0,0,0,1,0|1,0,0]=2 181 B7R1.4 CN1N=CCC1=O CS15601 [0,0,0,0,1,0|2,0,1]=4 182 B7R1.4 NC1CCNC1=O MC107169 [0,0,0,0,1,0|2,0,1]=4 183 B7R1.4 NC1CCNC1=O MC115917 [0,0,0,0,1,0|2,0,1]=4 184 B7R1.4 NC1CCOC1=O CS18578 [0,0,0,0,1,0|2,0,1]=4 185 B7R1.4 NC1CCOC1=O MC439296 [0,0,0,0,1,0|2,0,1]=4 186 B7R1.4 NC1CCSC1=O MC428331 [0,0,0,0,1,0|2,0,1]=4 187 B7R1.4 NN1CCOC1=O MC102926 [0,0,0,0,1,0|3,0,0]=4 188 B7R1.4 O=C1CCC=C1O CS14654 [0,0,0,0,1,0|1,0,1]=3 189 B7R1.4 O=C1CCCC1Br MC445112 [0,0,0,0,1,0|1,0,1]=3 190 B7R1.4 O=C1NCCC1O CS19486 [0,0,0,0,1,0|2,0,1]=4 191 B7R1.4 O=C1NCCC1O MC115910 [0,0,0,0,1,0|2,0,1]=4 192 B7R1.4 O=C1NCCC1O MC444274 [0,0,0,0,1,0|2,0,1]=4 193 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,0,0,0,0,1|1,0,1]=3 194 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,0,0,0,0,1|1,0,1]=3 195 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,0,0,0,0,1|1,0,1]=3 196 B6R0.1 CCCC(=O)NN CS22544 [1,0,1,0,0,0|2,0,0]=4 197 B6R0.1 CCNC(=O)NC MC428152 [1,0,1,0,0,0|2,0,0]=4 198 B6R0.1 CNC(=O)CCN MC112263 [1,0,1,0,0,0|2,0,0]=4 199 B6R0.1 CNCC(=O)OC MC438154 [1,0,1,0,0,0|2,0,0]=4 200 B6R0.1 COC(=O)CCBr CS18993 [1,0,1,0,0,0|2,0,0]=4 201 B6R0.1 COC(=O)CCN CS22266 [1,0,1,0,0,0|2,0,0]=4 202 B6R0.1 COC(=O)\C=C\I MC20613 [1,0,1,0,0,0|2,0,0]=4 203 B6R0.1 C\C=C\C(=O)OC MC41953 [1,0,1,0,0,0|1,0,0]=3 204 B6R0.2 CC(=O)\C=C(/C)N MC105899 [1,0,1,0,0,0|1,0,0]=3 205 B6R0.2 CC(C)=CC(=O)O CS14947 [1,0,1,0,0,0|1,0,0]=3 206 B6R0.4 C=CCCC(=O)O CS15216 [1,0,1,0,0,0|1,0,1]=4 207 B6R0.4 CC(=O)CCCBr CS10305 [1,0,1,0,0,0|1,0,1]=4 208 B6R0.4 CC(=O)CCCCl CS10334 [1,0,1,0,0,0|1,0,1]=4 209 B6R0.4 CC(C)CCC=O MC428026 [1,0,1,0,0,0|0,0,2]=4 210 B6R0.4 CCCCC(=O)Cl MC40508 [1,0,1,0,0,0|1,0,0]=3 211 B6R0.4 CO\C=C\C(C)=O MC33352 [1,0,1,0,0,0|1,0,0]=3 212 B6R0.4 NCCCC(=O)O CS14998 [1,0,1,0,0,0|2,0,0]=4 213 B6R0.4 NCCCC(N)=O MC112262 [1,0,1,0,0,0|2,0,0]=4 214 B6R0.4 O=C(Cl)CCCCl MC40450 [1,0,1,0,0,0|2,0,0]=4 215 B6R0.4 O=C(O)CCCBr CS14053 [1,0,1,0,0,0|2,0,0]=4 216 B6R0.6 C=CCCCCCl MC427568 [1,0,1,0,0,0|1,0,1]=4 217 B6R0.6 C=CCCCCN MC111853 [1,0,1,0,0,0|1,0,1]=4 218 B6R0.6 C=CCCCCO CS10397 [1,0,1,0,0,0|0,0,2]=4 219 B6R0.6 C=CCCC[Zn]Br MC121349 [1,0,1,0,0,0|2,0,0]=4 220 B6R0.6 COCCCC=O MC111975 [1,0,1,0,0,0|1,0,0]=3 221 B6R1.1 C1=CCNCC1 MC444071 [2,0,0,0,0,0|1,0,1]=4 222 B6R1.1 C1=CCOCC1 MC427315 [2,0,0,0,0,0|1,0,1]=4 223 B6R1.1 C1=CCSCC1 MC427366 [2,0,0,0,0,0|1,0,1]=4 224 B6R1.1 C1=COCCC1 MC20500 [2,0,0,0,0,0|1,0,0]=3 225 B8R0.5 CCOC(=O)C=C(C)C CS11345 [0,1,1,0,0,0|0,0,0]=2 226 B8R0.5 CCOC(=O)CC(C)=O MC41905 [0,1,1,0,0,0|1,0,1]=4 227 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [0,1,1,0,0,0|1,0,0]=3 228 B8R0.19 CCC(=O)CC(=O)CC CS22007 [0,1,1,0,0,0|1,0,1]=4 229 B8R0.19 CCC(=O)CC(=O)OC CS18389 [0,1,1,0,0,0|1,0,1]=4 230 B8R0.23 CC(=O)CC(=O)C(C)C MC41930 [0,1,1,0,0,0|1,0,1]=4 231 B8R0.23 CC(C)OC(=O)C(C)N CS14281 [0,1,1,0,0,0|1,0,1]=4 232 B8R0.23 CC(C)OC(=O)C(C)N MC436161 [0,1,1,0,0,0|1,0,1]=4 233 B8R0.23 CC(C)OC(=O)C(C)N MC439194 [0,1,1,0,0,0|1,0,1]=4 234 B8R0.7 COCCOCC(=O)O MC10458 [0,1,1,0,0,0|2,0,0]=4 235 B8R0.7 CSCCCCC(=O)O MC112374 [0,1,1,0,0,0|1,0,1]=4 236 B8R0.7 NCCCCCC(=O)O CS13381 [0,1,1,0,0,0|1,0,1]=4 237 B8R0.7 O=C(O)CCCCCBr CS18405 [0,1,1,0,0,0|1,0,1]=4 238 B8R0.8 CCCCC(N)C(=O)O MC428079 [0,1,1,0,0,0|1,0,1]=4 239 B8R0.8 CCCCC(N)C(=O)O MC428113 [0,1,1,0,0,0|1,0,1]=4 240 B8R0.8 CCCCC(N)C(=O)O MC428121 [0,1,1,0,0,0|1,0,1]=4 241 B8R0.8 CCCCC(N)C(N)=O MC438017 [0,1,1,0,0,0|1,0,1]=4 242 B8R0.8 CSCCC(N)C(=O)O CS18644 [0,1,1,0,0,0|2,0,0]=4 243 B8R0.8 CSCCC(N)C(=O)O MC428038 [0,1,1,0,0,0|2,0,0]=4 244 B8R0.8 CSCCC(N)C(=O)O MC428332 [0,1,1,0,0,0|2,0,0]=4 245 B8R0.8 CSCCC(N)C(N)=O MC437951 [0,1,1,0,0,0|2,0,0]=4 246 B8R0.8 CSCCC(N)C(N)=O MC439009 [0,1,1,0,0,0|2,0,0]=4 247 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [0,1,1,0,0,0|2,0,0]=4 248 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [0,1,1,0,0,0|2,0,0]=4 249 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,1,1,0,0,0|1,0,1]=4 250 B8R0.28 O=C(O)CCCC(=O)O MC20876 [0,1,1,0,0,0|2,0,0]=4 251 B8R0.1 CCOC(=O)CCCO MC111642 [0,1,1,0,0,0|1,0,1]=4 252 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [0,1,1,0,0,0|1,0,1]=4 253 B8R0.1 CCOC(=O)\C=C\CO MC103341 [0,1,1,0,0,0|1,0,0]=3 254 B8R0.3 CCNC(=O)C(N)CC MC116564 [0,1,1,0,0,0|1,0,1]=4 255 B8R0.3 CCNC(=O)C(N)CC MC116565 [0,1,1,0,0,0|1,0,1]=4 256 B8R0.3 CCOC(=O)C(=O)CC CS13439 [0,1,1,0,0,0|1,0,1]=4 257 B8R1.2 BrCC1=CCCCC1 MC103521 [1,1,0,0,0,0|0,0,1]=3 258 B8R1.2 Br[Zn]C1C=CCCC1 MC116069 [1,1,0,0,0,0|1,0,1]=4 259 B8R1.2 O=CC1=CCCOC1 CS10171 [1,1,0,0,0,0|1,0,1]=4 260 B8R1.3 NC1CCC(=O)CC1 CS22583 [1,1,0,0,0,0|0,0,2]=4 261 B8R1.3 NC1CCC(=O)NC1 MC113024 [1,1,0,0,0,0|1,0,1]=4 262 B8R1.3 NC1CCC(=O)NC1 MC444382 [1,1,0,0,0,0|1,0,1]=4 263 B8R1.3 O=C1CCC(O)CC1 CS22889 [1,1,0,0,0,0|0,0,2]=4 264 B8R1.5 CC1=NCCCN1C MC20695 [1,1,0,0,0,0|2,0,0]=4 265 B8R1.5 CC1CCNCC1=O MC105562 [1,1,0,0,0,0|1,0,1]=4 266 B8R1.5 NC1CCCNC1=O MC106744 [1,1,0,0,0,0|1,0,1]=4 267 B8R1.5 O=C1CCCC=C1I MC106097 [1,1,0,0,0,0|0,0,0]=2 268 B8R1.5 O=C1CCCCC1=O CS20486 [1,1,0,0,0,0|0,0,1]=3 269 B8R1.5 O=C1NCCCC1Br CS14644 [1,1,0,0,0,0|1,0,1]=4 270 B8R1.5 O=C1NCCCC1O CS19689 [1,1,0,0,0,0|1,0,1]=4 271 B8R1.5 O=C1OCCCC1O CS16147 [1,1,0,0,0,0|1,0,1]=4 272 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [0,1,0,0,1,0|1,0,1]=4 273 B8R1.1 CC1=COC(C=O)=C1 MC104341 [0,1,0,0,1,0|1,0,1]=4 274 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [0,1,0,0,1,0|2,0,0]=4 275 B8R1.1 NCc1cc(=O)no1 MC437997 [0,1,0,0,1,0|2,0,0]=4 276 B8R1.1 O=C1CCC(CO)N1 CS13834 [0,1,0,0,1,0|1,0,1]=4 277 B8R1.1 O=C1CCC(CO)N1 CS15562 [0,1,0,0,1,0|1,0,1]=4 278 B8R1.18 CC1=CC(=O)N(C)N1 CS18184 [0,1,0,0,1,0|2,0,0]=4 279 B8R1.18 CC1=CC(=O)OC1O CS22773 [0,1,0,0,1,0|1,0,0]=3 280 B8R1.18 CC1CC(=O)OC1=O MC440511 [0,1,0,0,1,0|2,0,0]=4 281 B8R1.18 O=C1C=C(Cl)C(O)O1 MC103260 [0,1,0,0,1,0|2,0,0]=4 282 B8R1.50 CC1=C(O)C(=O)CC1 CS16508 [0,1,0,0,1,0|0,0,0]=2 283 B8R1.50 CC1C(=O)CCC1=O CS21655 [0,1,0,0,1,0|1,0,1]=4 284 B8R1.50 O=C1CCC(=O)N1Br CS19757 [0,1,0,0,1,0|2,0,0]=4 285 B8R1.50 O=C1CCC(=O)N1I CS19758 [0,1,0,0,1,0|2,0,0]=4 286 B8R1.50 O=C1CCC(=O)N1O CS19674 [0,1,0,0,1,0|2,0,0]=4 287 B8R1.11 N#CC1CCCC1=O CS20047 [0,1,0,0,1,0|0,0,2]=4 288 B8R1.11 O=C1NCCC1CO MC104392 [0,1,0,0,1,0|1,0,1]=4 289 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [0,2,0,0,0,0|0,0,2]=4 290 B10R1.10 CCOC1=CC(=O)CCC1 MC428210 [0,2,0,0,0,0|0,0,0]=2 291 B10R1.10 COCC1CCCC(=O)C1 MC106177 [0,2,0,0,0,0|0,0,2]=4 292 B10R1.120 CC1(C)CC(=O)CCC1O MC110760 [0,2,0,0,0,0|0,0,2]=4 293 B8R1.34 CC(=O)C=C1COC1 MC425334 [0,0,1,1,0,0|1,0,0]=3 294 B8R1.7 CC(=O)C1CCCC1 CS20673 [0,0,1,1,0,0|0,0,2]=4 295 B8R1.7 CC(=O)C1CCCC1 MC445790 [0,0,1,1,0,0|0,0,2]=4 296 B8R1.7 NC(=O)C1CC=CC1 CS11184 [0,0,1,1,0,0|1,0,1]=4 297 B8R1.7 O=C(O)C1CCNC1 CS18444 [0,0,1,1,0,0|2,0,0]=4 298 B8R1.7 O=C(O)C1CCNC1 CS19637 [0,0,1,1,0,0|2,0,0]=4 299 B8R1.7 O=C(O)C1CCOC1 CS19475 [0,0,1,1,0,0|2,0,0]=4 300 B8R1.7 O=C(O)C1CCOC1 MC444586 [0,0,1,1,0,0|2,0,0]=4 301 B8R1.22 O=C1CCCNCC1 CS19096 [0,0,1,1,0,0|1,0,1]=4 302 B8R1.35 O=C(O)CCC1CC1 CS19562 [0,0,1,1,0,0|1,0,1]=4 303 B8R2.34 C1=CC2CCC1C2 CS11805 [1,0,0,1,0,0|0,0,1]=3 304 B10R2.42 O=C1OC(=O)C2CCC12 CS19443 [0,0,0,1,0,1|2,0,0]=4 305 B10R2.62 O=C1CN2CCC1CC2 CS19608 [0,1,0,1,0,0|1,0,1]=4 306 B10R2.62 O=C1NC2CCC1CC2 MC444164 [0,1,0,1,0,0|1,0,1]=4 307 B10R2.534 O=C1CCCC2(CC2)N1 CS17693 [0,1,0,1,0,0|1,0,1]=4 308 B6R0.3 CCC(=O)C(=O)O CS21626 [0,0,1,0,1,0|2,0,0]=4 309 B6R0.3 CN(C)C(=O)CBr CS14025 [0,0,1,0,1,0|2,0,0]=4 310 B6R0.3 CN(C)C(=O)CN CS21306 [0,0,1,0,1,0|2,0,0]=4 311 B6R0.3 CN(C)C(=O)CN MC116188 [0,0,1,0,1,0|2,0,0]=4 312 B6R0.3 CN(C)C(=O)CN MC437713 [0,0,1,0,1,0|2,0,0]=4 313 B6R0.3 COC(=O)C(C)C MC41931 [0,0,1,0,1,0|1,0,1]=4 314 B6R0.3 CON(C)C(C)=O CS11789 [0,0,1,0,1,0|2,0,0]=4 315 B6R1.2 CC1=CC=CN1 CS21660 [1,0,0,0,1,0|1,0,1]=4 316 B6R1.2 CC1=CC=CO1 MC41695 [1,0,0,0,1,0|1,0,1]=4 317 B6R1.2 CC1=CC=CS1 CS21701 [1,0,0,0,1,0|1,0,1]=4 318 B6R1.2 CC1=CC=NN1 MC21108 [1,0,0,0,1,0|2,0,0]=4 319 B6R1.2 CC1=CNC=C1 MC20689 [1,0,0,0,1,0|1,0,1]=4 320 B6R1.2 CC1=NCCC1 CS21664 [1,0,0,0,1,0|1,0,0]=3 321 B6R1.2 CC1=NNC=C1 CS13720 [1,0,0,0,1,0|2,0,0]=4 322 B6R1.2 CC1=NOC=C1 CS11533 [1,0,0,0,1,0|2,0,0]=4 323 B6R1.2 CC1CCCN1 CS18299 [1,0,0,0,1,0|1,0,1]=4 324 B6R1.2 CC1CCCN1 CS18800 [1,0,0,0,1,0|1,0,1]=4 325 B6R1.2 CC1CCCN1 CS19735 [1,0,0,0,1,0|1,0,1]=4 326 B6R1.2 CC1CCCN1 CS21699 [1,0,0,0,1,0|1,0,1]=4 327 B6R1.2 CC1CCCN1 CS21700 [1,0,0,0,1,0|1,0,1]=4 328 B6R1.2 CC1CCCN1 MC428345 [1,0,0,0,1,0|1,0,1]=4 329 B6R1.2 CC1CCCO1 MC20580 [1,0,0,0,1,0|1,0,1]=4 330 B6R1.2 NC1=NCCC1 CS19310 [1,0,0,0,1,0|2,0,0]=4 331 B6R1.2 O=C1C=CNN1 MC106502 [1,0,0,0,1,0|2,0,0]=4 332 B6R1.2 O=C1C=CON1 MC442265 [1,0,0,0,1,0|2,0,0]=4 333 B6R1.2 O=C1C=CSN1 MC427073 [1,0,0,0,1,0|2,0,0]=4 334 B6R1.2 O=C1CCCC1 MC21085 [1,0,0,0,1,0|0,0,1]=3 335 B6R1.2 O=C1CCNC1 CS22412 [1,0,0,0,1,0|1,0,1]=4 336 B6R1.2 O=C1CCOC1 CS18178 [1,0,0,0,1,0|1,0,1]=4 337 B6R1.2 O=C1CCSC1 MC20305 [1,0,0,0,1,0|1,0,1]=4 338 B6R1.2 O=C1CNCN1 CS15654 [1,0,0,0,1,0|2,0,0]=4 339 B6R1.2 O=C1NCCN1 CS21607 [1,0,0,0,1,0|2,0,0]=4 340 B6R1.2 O=C1NCCS1 CS20525 [1,0,0,0,1,0|2,0,0]=4 341 B6R1.2 O=C1OCCO1 CS20012 [1,0,0,0,1,0|2,0,0]=4 342 B6R1.4 CC1COC1=O MC121237 [0,0,0,0,2,0|1,0,1]=4 343 B10R1.79 O=C1CCCC(=O)CCC1 MC102212 [0,0,0,0,0,2|1,0,1]=4