0 B8R0.6 CCCCNC(=O)CCl CS11766 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.6 CCCSCC(=O)OC MC434048 [0,0,0,0,0,0|1,0,1]=2 2 B8R0.6 C\C=C\C=C\C(=O)OC MC446659 [0,0,0,0,0,0|0,0,2]=2 3 B7R0.3 C#CCCC(=O)OC MC424002 [1,0,0,0,0,0|0,0,3]=4 4 B7R0.3 COC(=O)CCC=O MC21172 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.3 COC(=O)CCCBr MC427387 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.3 COC(=O)CCCN MC439309 [1,0,0,0,0,0|1,0,1]=3 7 B7R0.3 COC(=O)\C=C\CBr CS13509 [1,0,0,0,0,0|1,0,0]=2 8 B7R0.3 CO\C=C\C(=O)OC CS11630 [1,0,0,0,0,0|1,0,0]=2 9 B7R0.4 CC(=O)CCCCBr CS10627 [1,0,0,0,0,0|1,0,2]=4 10 B7R0.4 CCCOCC(=O)O MC425744 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,0,0,0,0,0|0,0,0]=1 12 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [1,0,0,0,0,0|2,0,0]=3 13 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [1,0,0,0,0,0|2,0,0]=3 14 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,0,0,0,0,0|1,0,0]=2 15 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,0,0,0,0|0,0,3]=4 16 B7R0.4 NCCCCC(=O)O MC428108 [1,0,0,0,0,0|1,0,2]=4 17 B7R0.4 NCCNCC(=O)O MC436179 [1,0,0,0,0,0|2,0,1]=4 18 B7R0.4 O=C(O)CCCCBr MC41866 [1,0,0,0,0,0|1,0,2]=4 19 B9R0.1 COC(=O)\C=C\CN(C)C MC107341 [0,1,0,0,0,0|1,0,0]=2 20 B9R0.5 CCOC(=O)CCCCBr CS13726 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.5 CCOC(=O)CCCCN CS14354 [0,1,0,0,0,0|1,0,2]=4 22 B9R0.5 CCOC(=O)CNCCN MC436180 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.5 CCO\C=C\C(=O)OCC MC20656 [0,1,0,0,0,0|1,0,0]=2 24 B9R0.5 C\C=C\C=C\C(=O)OCC MC446660 [0,1,0,0,0,0|0,0,2]=3 25 B9R0.8 CCCCC(N)C(=O)OC MC438018 [0,1,0,0,0,0|0,0,2]=3 26 B9R0.8 CCCCC(N)C(=O)OC MC438019 [0,1,0,0,0,0|0,0,2]=3 27 B9R0.8 COC(=O)C(N)CCCN MC438048 [0,1,0,0,0,0|1,0,2]=4 28 B9R0.8 COC(=O)C(N)CCSC MC437955 [0,1,0,0,0,0|1,0,2]=4 29 B9R0.8 COC(=O)C(N)CCSC MC437956 [0,1,0,0,0,0|1,0,2]=4 30 B9R0.8 COC(=O)C(N)CCSC MC439011 [0,1,0,0,0,0|1,0,2]=4 31 B9R0.34 CCOC(=O)CC(=O)CC CS11391 [0,1,0,0,0,0|2,0,1]=4 32 B9R0.34 CCOC(=O)CC(=O)NC MC106824 [0,1,0,0,0,0|2,0,1]=4 33 B9R0.34 COCC(=O)CC(=O)OC MC20562 [0,1,0,0,0,0|1,0,1]=3 34 B9R0.46 COC(=O)CCCCCN CS11662 [0,1,0,0,0,0|0,0,2]=3 35 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,1,0,0,0,0|2,0,1]=4 36 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [0,0,0,1,0,0|1,0,2]=4 37 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.5 CN1CCCNCC1=O MC100103 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,0,0,1,0,0|0,0,2]=3 40 B9R1.7 CCOC1=CC(=O)CC1 MC425592 [0,0,0,1,0,0|2,0,0]=3 41 B9R1.7 CCOC1=NOC(C)=C1 MC427143 [0,0,0,1,0,0|3,0,0]=4 42 B9R1.11 COC(=O)C1=CC=CN1 CS17868 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.11 COC(=O)C1=CC=CO1 CS11606 [0,0,0,1,0,0|1,0,2]=4 44 B9R1.11 COC(=O)C1=CC=NS1 MC106643 [0,0,0,1,0,0|2,0,1]=4 45 B9R1.11 COC(=O)C1=CCCC1 CS18911 [0,0,0,1,0,0|0,0,0]=1 46 B9R1.11 COC(=O)C1=CNC=C1 CS20729 [0,0,0,1,0,0|1,0,2]=4 47 B9R1.11 COC(=O)C1=CNC=N1 CS18794 [0,0,0,1,0,0|2,0,1]=4 48 B9R1.11 COC(=O)C1=CNN=C1 MC425198 [0,0,0,1,0,0|2,0,1]=4 49 B9R1.11 COC(=O)C1=CNN=N1 CS13476 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.11 COC(=O)C1=NNC=C1 CS11588 [0,0,0,1,0,0|2,0,1]=4 51 B9R1.11 COC(=O)C1=NNN=C1 CS17729 [0,0,0,1,0,0|3,0,0]=4 52 B9R1.11 COC(=O)C1C=CCN1 MC436937 [0,0,0,1,0,0|1,0,2]=4 53 B9R1.11 COC(=O)C1CCCN1 CS11440 [0,0,0,1,0,0|1,0,1]=3 54 B9R1.11 COC(=O)C1CCCN1 CS18447 [0,0,0,1,0,0|1,0,1]=3 55 B9R1.11 COC(=O)C1CCCN1 MC438131 [0,0,0,1,0,0|1,0,1]=3 56 B9R1.11 COC(=O)C1CCNC1 MC103933 [0,0,0,1,0,0|1,0,2]=4 57 B9R1.50 O=C1CCCCCCN1 CS21316 [0,0,0,1,0,0|1,0,2]=4 58 B9R1.79 COC(=O)C=C1COC1 MC444517 [0,0,0,1,0,0|1,0,0]=2 59 B9R1.79 COC(=O)CC1CNC1 MC113002 [0,0,0,1,0,0|1,0,2]=4 60 B9R1.79 COC(=O)CC1CNC1 MC444523 [0,0,0,1,0,0|1,0,2]=4 61 B9R1.81 COC(=O)C1CCC1N MC103768 [0,0,0,1,0,0|1,0,2]=4 62 B6R0.1 CCCC(=O)NN CS22544 [2,0,0,0,0,0|2,0,0]=4 63 B6R0.1 CCNC(=O)NC MC428152 [2,0,0,0,0,0|2,0,0]=4 64 B6R0.1 CNC(=O)CCN MC112263 [2,0,0,0,0,0|2,0,0]=4 65 B6R0.1 CNCC(=O)OC MC438154 [2,0,0,0,0,0|1,0,0]=3 66 B6R0.1 COC(=O)CC#N MC428339 [2,0,0,0,0,0|1,0,1]=4 67 B6R0.1 COC(=O)CCBr CS18993 [2,0,0,0,0,0|1,0,0]=3 68 B6R0.1 COC(=O)CCN CS22266 [2,0,0,0,0,0|1,0,0]=3 69 B6R0.1 COC(=O)\C=C\I MC20613 [2,0,0,0,0,0|1,0,0]=3 70 B6R0.1 C\C=C\C(=O)OC MC41953 [2,0,0,0,0,0|0,0,0]=2 71 B6R0.4 C=C\C=C\C(=O)O CS12033 [2,0,0,0,0,0|0,0,2]=4 72 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|1,0,1]=4 73 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|1,0,1]=4 74 B6R0.4 CC(=O)NCCCl MC33011 [2,0,0,0,0,0|2,0,0]=4 75 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|1,0,1]=4 76 B6R0.4 CO\C=C\C(C)=O MC33352 [2,0,0,0,0,0|1,0,0]=3 77 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|1,0,1]=4 78 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|1,0,1]=4 79 B8R0.4 CCC\C=C\C=C\CO CS17006 [1,1,0,0,0,0|1,0,0]=3 80 B8R0.3 CCCC(N)C(=O)OC MC438026 [1,1,0,0,0,0|0,0,1]=3 81 B8R0.3 CCOC(=O)C(=O)CC CS13439 [1,1,0,0,0,0|2,0,0]=4 82 B8R0.3 COC(=O)C(Br)CCBr MC41887 [1,1,0,0,0,0|1,0,1]=4 83 B8R0.3 CO\C=C(\I)C(=O)OC MC102977 [1,1,0,0,0,0|1,0,0]=3 84 B8R0.19 CCC(=O)CC(=O)CC CS22007 [1,1,0,0,0,0|1,0,1]=4 85 B8R0.19 CCC(=O)CC(=O)OC CS18389 [1,1,0,0,0,0|0,0,1]=3 86 B8R0.19 COC(=O)CC(=O)CCl MC20592 [1,1,0,0,0,0|1,0,1]=4 87 B8R0.19 COC(=O)CC(O)CCl CS18252 [1,1,0,0,0,0|1,0,1]=4 88 B8R0.5 CCOC(=O)C=C(C)C CS11345 [1,1,0,0,0,0|2,0,0]=4 89 B8R0.5 CCOC(=O)CC(C)=O MC41905 [1,1,0,0,0,0|1,0,1]=4 90 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [1,1,0,0,0,0|2,0,0]=4 91 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [1,1,0,0,0,0|1,0,0]=3 92 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [1,1,0,0,0,0|1,0,0]=3 93 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [1,1,0,0,0,0|1,0,0]=3 94 B10R0.2 CCOC(=N)CC(=O)OCC CS19628 [0,2,0,0,0,0|1,0,1]=4 95 B10R0.2 CCOC(=O)CC(=O)COC MC418491 [0,2,0,0,0,0|1,0,1]=4 96 B10R0.2 CCOC(=O)CC(=O)OCC MC445194 [0,2,0,0,0,0|1,0,1]=4 97 B10R0.19 CCCCC(=O)C(=O)OCC CS11379 [0,2,0,0,0,0|0,0,1]=3 98 B10R0.83 COC(=O)C(N)CCCCN MC437851 [0,2,0,0,0,0|0,0,2]=4 99 B10R0.74 COC(=O)CCCCCCN CS14288 [0,2,0,0,0,0|0,0,2]=4 100 B8R1.49 C1=CCCCCCC1 MC445004 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.1 NCC1COC(=O)N1 MC104254 [1,0,0,1,0,0|2,0,0]=4 102 B8R1.1 O=C1CC(CF)CO1 MC10217 [1,0,0,1,0,0|1,0,1]=4 103 B8R1.1 O=C1NC(CO)CO1 MC427148 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.38 COC(=O)C1CNC1 CS13402 [1,0,0,1,0,0|1,0,1]=4 105 B8R1.38 COC(=O)C1COC1 MC100370 [1,0,0,1,0,0|1,0,1]=4 106 B8R1.83 COC(=O)C1CC1Br MC430638 [1,0,0,1,0,0|1,0,1]=4 107 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,1,0,0|0,0,2]=4 108 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,1,0,0|0,0,2]=4 109 B8R1.7 O=C(O)C1CCCN1 CS18287 [1,0,0,1,0,0|1,0,1]=4 110 B8R1.7 O=C(O)C1CCCN1 CS18742 [1,0,0,1,0,0|1,0,1]=4 111 B8R1.7 O=C(O)C1CCCN1 CS22249 [1,0,0,1,0,0|1,0,1]=4 112 B8R1.7 O=C(O)C1CCCO1 CS16192 [1,0,0,1,0,0|1,0,1]=4 113 B8R1.7 O=C(O)C1CCCO1 CS18232 [1,0,0,1,0,0|1,0,1]=4 114 B8R1.7 O=C(O)C1CCCO1 MC20393 [1,0,0,1,0,0|1,0,1]=4 115 B8R1.7 OB(O)C1=CCCC1 CS11186 [1,0,0,1,0,0|1,0,1]=4 116 B8R1.34 CC(=O)C=C1COC1 MC425334 [1,0,0,1,0,0|1,0,0]=3 117 B8R1.34 O=C(O)CC1CCC1 CS11177 [1,0,0,1,0,0|0,0,2]=4 118 B8R1.35 O=C(O)CCC1CC1 CS19562 [1,0,0,1,0,0|0,0,2]=4 119 B10R1.14 COC(=O)C1=COC(C)=N1 CS19368 [0,1,0,1,0,0|1,0,1]=4 120 B10R1.14 COC(=O)C1=NN(C)N=C1 MC113395 [0,1,0,1,0,0|2,0,0]=4 121 B10R1.14 COC(=O)C1CC(F)CN1 MC100237 [0,1,0,1,0,0|1,0,1]=4 122 B10R1.14 COC(=O)C1CC(O)CN1 CS11437 [0,1,0,1,0,0|1,0,1]=4 123 B10R1.14 COC(=O)C1CC(O)CN1 CS13094 [0,1,0,1,0,0|1,0,1]=4 124 B10R1.14 COC(=O)C1CC(O)CN1 CS18459 [0,1,0,1,0,0|1,0,1]=4 125 B10R1.14 COC(=O)C1CCC(N)C1 CS17586 [0,1,0,1,0,0|0,0,2]=4 126 B10R1.14 COC(=O)C1CCC(N)C1 MC105577 [0,1,0,1,0,0|0,0,2]=4 127 B10R1.14 COC(=O)C1CCC(N)C1 MC105578 [0,1,0,1,0,0|0,0,2]=4 128 B10R1.14 COC(=O)C1CCC(N)C1 MC105579 [0,1,0,1,0,0|0,0,2]=4 129 B10R1.14 COC(=O)C1CCC(N)C1 MC105580 [0,1,0,1,0,0|0,0,2]=4 130 B10R1.10 CCOC1=CC(=O)CCC1 MC428210 [0,1,0,1,0,0|2,0,0]=4 131 B10R1.137 CCOC(=O)C=C1COC1 MC425331 [0,1,0,1,0,0|1,0,0]=3 132 B10R1.15 COC(=O)C1=CCOCC1 MC113105 [0,1,0,1,0,0|0,0,0]=2 133 B10R1.15 COC(=O)C1CCCCC1 CS22810 [0,1,0,1,0,0|0,0,2]=4 134 B10R1.15 COC(=O)C1CCCCN1 CS14321 [0,1,0,1,0,0|0,0,2]=4 135 B10R1.15 COC(=O)C1CCCCN1 CS19622 [0,1,0,1,0,0|0,0,2]=4 136 B10R1.15 COC(=O)C1CCCCN1 CS19623 [0,1,0,1,0,0|0,0,2]=4 137 B10R1.15 COC(=O)C1CCCNC1 CS15320 [0,1,0,1,0,0|0,0,2]=4 138 B10R1.15 COC(=O)C1CCCNC1 CS19621 [0,1,0,1,0,0|0,0,2]=4 139 B10R1.15 COC(=O)C1CCCOC1 CS14631 [0,1,0,1,0,0|0,0,2]=4 140 B10R1.15 COC(=O)C1CCOCC1 CS13506 [0,1,0,1,0,0|0,0,2]=4 141 B10R1.15 COC(=O)C1CNCCO1 CS15141 [0,1,0,1,0,0|1,0,1]=4 142 B10R1.15 COC(=O)C1CNCCO1 CS15369 [0,1,0,1,0,0|1,0,1]=4 143 B10R1.15 COC(=O)C1CNCCO1 MC444510 [0,1,0,1,0,0|1,0,1]=4 144 B10R1.15 COC(=O)C1CNCCO1 MC444511 [0,1,0,1,0,0|1,0,1]=4 145 B10R1.15 COC(=O)C1COCCN1 MC104286 [0,1,0,1,0,0|1,0,1]=4 146 B10R1.15 COC(=O)C1COCCN1 MC114879 [0,1,0,1,0,0|1,0,1]=4 147 B10R1.15 COC(=O)C1COCCN1 MC444512 [0,1,0,1,0,0|1,0,1]=4 148 B10R1.15 COC(=O)C1COCCN1 MC444560 [0,1,0,1,0,0|1,0,1]=4 149 B10R1.94 CCOC1=C(Br)C(=O)CC1 MC425599 [0,1,0,1,0,0|2,0,0]=4 150 B10R1.411 COC(=O)C1(N)CCCC1 CS15228 [0,1,0,1,0,0|0,0,2]=4 151 B10R1.27 COC(=O)CC1CCCN1 CS16363 [0,1,0,1,0,0|0,0,2]=4 152 B10R1.134 COC(=O)CC(=O)C1CC1 CS18976 [0,1,0,1,0,0|0,0,1]=3 153 B10R1.149 COC(=O)C1=C(C)C=CS1 MC20532 [0,1,0,1,0,0|0,0,2]=4 154 B10R1.149 COC(=O)C1=C(C)N=CS1 CS10100 [0,1,0,1,0,0|1,0,1]=4 155 B10R1.149 COC(=O)C1=C(C)OC=N1 CS12233 [0,1,0,1,0,0|1,0,1]=4 156 B10R1.149 COC(=O)C1=C(C)SC=C1 CS12807 [0,1,0,1,0,0|0,0,2]=4 157 B10R1.149 COC(=O)C1=CC=NN1C CS16991 [0,1,0,1,0,0|1,0,1]=4 158 B10R1.149 COC(=O)C1=CNN=C1C CS14906 [0,1,0,1,0,0|1,0,1]=4 159 B10R1.149 COC(=O)C1CCNC1=O CS16415 [0,1,0,1,0,0|1,0,1]=4 160 B10R1.149 COC(=O)C1CCOC1=O MC431311 [0,1,0,1,0,0|1,0,1]=4 161 B10R1.149 COC(=O)C1CSCC1=O MC429816 [0,1,0,1,0,0|1,0,1]=4 162 B10R1.149 COC(=O)C1NCCC1O MC104250 [0,1,0,1,0,0|1,0,1]=4 163 B10R1.149 COC(=O)C1NCCC1O MC104974 [0,1,0,1,0,0|1,0,1]=4 164 B10R1.149 COC(=O)C1NCCC1O MC104976 [0,1,0,1,0,0|1,0,1]=4 165 B10R1.149 COC(=O)C1SCCC1=O CS11632 [0,1,0,1,0,0|1,0,1]=4 166 B10R1.1 CCCC1CCC(=O)OC1 MC440473 [0,1,0,1,0,0|0,0,2]=4