0 B8R0.7 COCCOCC(=O)O MC10458 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.7 CSCCCCC(=O)O MC112374 [0,0,0,0,0,0|2,0,2]=4 2 B8R0.7 NCCCCCC(=O)O CS13381 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.7 O=C(O)CCCCCBr CS18405 [0,0,0,0,0,0|2,0,2]=4 4 B7R0.4 CC#CCOC(C)=O MC434061 [1,0,0,0,0,0|1,0,2]=4 5 B7R0.4 CC(=O)CCCCBr CS10627 [1,0,0,0,0,0|1,0,1]=3 6 B7R0.4 CCCCCC(C)O CS21570 [1,0,0,0,0,0|0,0,3]=4 7 B7R0.4 CCCOCC(=O)O MC425744 [1,0,0,0,0,0|2,0,1]=4 8 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,0,0,0,0,0|0,0,0]=1 9 B7R0.4 CCO\C=C\C(=O)Cl MC425808 [1,0,0,0,0,0|2,0,0]=3 10 B7R0.4 CCO\C=C\C(=O)Cl MC427603 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.4 CCO\C=C\C(=O)O CS22271 [1,0,0,0,0,0|2,0,0]=3 12 B7R0.4 C\C=C\C=C\C(=O)[O-] CS11961 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.4 NCCCCC(=O)O MC428108 [1,0,0,0,0,0|2,0,1]=4 14 B7R0.4 O=C(O)CCCCBr MC41866 [1,0,0,0,0,0|2,0,1]=4 15 B9R0.2 CCCCCCCC(=O)Cl MC40496 [0,1,0,0,0,0|1,0,2]=4 16 B9R0.2 CCCCCCOC(=O)Cl CS11449 [0,1,0,0,0,0|1,0,2]=4 17 B9R0.2 CCCSCCCC(=O)O MC112372 [0,1,0,0,0,0|1,0,2]=4 18 B9R0.2 NCCCCCCC(=O)O CS10138 [0,1,0,0,0,0|1,0,2]=4 19 B9R0.2 O=C(O)CCCCCCO CS10820 [0,1,0,0,0,0|1,0,2]=4 20 B9R0.46 COC(=O)CCCCCN CS11662 [0,1,0,0,0,0|1,0,2]=4 21 B9R0.47 C=C(C)C(=O)NCCCN CS11712 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.47 CCCCOC(=O)C(C)N CS15628 [0,1,0,0,0,0|2,0,1]=4 23 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,1,0,0,0,0|1,0,2]=4 24 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [0,0,0,1,0,0|1,0,2]=4 25 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,0,0,1,0,0|2,0,1]=4 26 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,0,0,1,0,0|0,0,2]=3 29 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,0,0,1,0,0|1,0,2]=4 30 B9R1.6 CC(=O)N1CCNCC1 CS18512 [0,0,0,1,0,0|2,0,1]=4 31 B9R1.6 NC(=O)C1CCCCN1 MC425161 [0,0,0,1,0,0|2,0,1]=4 32 B9R1.6 O=C(Cl)C1=CCOCC1 MC106029 [0,0,0,1,0,0|2,0,0]=3 33 B9R1.6 O=C(O)C1=CCOCC1 MC105969 [0,0,0,1,0,0|2,0,0]=3 34 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,0,0,1,0,0|1,0,2]=4 35 B9R1.6 O=C(O)C1CCCCN1 CS13937 [0,0,0,1,0,0|2,0,1]=4 36 B9R1.6 O=C(O)C1CCCCN1 CS18416 [0,0,0,1,0,0|2,0,1]=4 37 B9R1.6 O=C(O)C1CCCCN1 CS18418 [0,0,0,1,0,0|2,0,1]=4 38 B9R1.6 O=C(O)C1CCCCN1 CS18433 [0,0,0,1,0,0|2,0,1]=4 39 B9R1.6 OB(O)C1=CCCCC1 CS18401 [0,0,0,1,0,0|2,0,1]=4 40 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,0,0,1,0,0|1,0,1]=3 41 B9R1.13 O=C(Cl)OC1CCCC1 CS11187 [0,0,0,1,0,0|2,0,1]=4 42 B9R1.13 O=C(O)CC1CCCC1 MC112805 [0,0,0,1,0,0|1,0,2]=4 43 B9R1.41 CC(=O)C1=C(C)ON=C1 MC430702 [0,0,0,1,0,0|2,0,1]=4 44 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [0,0,0,1,0,0|1,0,2]=4 45 B9R1.50 O=C1CCCCCCN1 CS21316 [0,0,0,1,0,0|1,0,1]=3 46 B9R1.84 O=C(O)COC1CCC1 MC33255 [0,0,0,1,0,0|2,0,1]=4 47 B6R0.6 C=CCCCCCl MC427568 [2,0,0,0,0,0|1,0,1]=4 48 B6R0.6 C=CCCCCN MC111853 [2,0,0,0,0,0|1,0,1]=4 49 B6R0.6 C=CCCCCO CS10397 [2,0,0,0,0,0|1,0,1]=4 50 B6R0.6 C=COCCCN MC41859 [2,0,0,0,0,0|2,0,0]=4 51 B6R0.6 COCCCC=O MC111975 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|1,0,0]=3 53 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|1,0,0]=3 54 B6R0.4 CC(=O)NCCCl MC33011 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.4 CO\C=C\C(C)=O MC33352 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.4 NCCCC(N)=O MC112262 [2,0,0,0,0,0|2,0,0]=4 59 B6R0.4 O=C(Cl)CCCCl MC40450 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|2,0,0]=4 61 B8R0.1 CCOC(=O)\C=C\C=O CS11394 [1,1,0,0,0,0|1,0,1]=4 62 B8R0.4 CCC\C=C\C=C\CO CS17006 [1,1,0,0,0,0|0,0,1]=3 63 B8R0.5 CCOC(=O)C=C(C)C CS11345 [1,1,0,0,0,0|2,0,0]=4 64 B8R0.5 CCOC(=O)CC(C)=O MC41905 [1,1,0,0,0,0|1,0,1]=4 65 B8R0.5 CCOC(=O)\C=C(/C)N CS15795 [1,1,0,0,0,0|2,0,0]=4 66 B8R0.8 CCCCC(N)C(=O)O MC428079 [1,1,0,0,0,0|1,0,1]=4 67 B8R0.8 CCCCC(N)C(=O)O MC428113 [1,1,0,0,0,0|1,0,1]=4 68 B8R0.8 CCCCC(N)C(=O)O MC428121 [1,1,0,0,0,0|1,0,1]=4 69 B8R0.8 CCCCC(N)C(N)=O MC438017 [1,1,0,0,0,0|1,0,1]=4 70 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [1,1,0,0,0,0|2,0,0]=4 71 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [1,1,0,0,0,0|2,0,0]=4 72 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [1,1,0,0,0,0|2,0,0]=4 73 B10R0.74 COC(=O)CCCCCCN CS14288 [0,2,0,0,0,0|0,0,2]=4 74 B10R0.78 CCCCC(=O)NCC(=O)O MC428130 [0,2,0,0,0,0|1,0,1]=4 75 B8R1.2 BrCC1=CCCCC1 MC103521 [1,0,0,1,0,0|1,0,1]=4 76 B8R1.2 O=CC1=CCCOC1 CS10171 [1,0,0,1,0,0|1,0,0]=3 77 B8R1.2 O=CC1CCCCC1 MC20143 [1,0,0,1,0,0|0,0,2]=4 78 B8R1.5 CC1CCNCC1=O MC105562 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.49 C1=CCCCCCC1 MC445004 [1,0,0,1,0,0|0,0,1]=3 80 B8R1.1 NCC1CNC(=O)C1 MC101927 [1,0,0,1,0,0|2,0,0]=4 81 B8R1.1 NCC1CNC(=O)C1 MC105678 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.1 NCC1CNC(=O)C1 MC121239 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.1 O=C1C=CC(CO)O1 MC20390 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.1 O=C1CC(CF)CO1 MC10217 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|1,0,1]=4 86 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|1,0,1]=4 87 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|1,0,1]=4 88 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|1,0,1]=4 89 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|1,0,1]=4 90 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|1,0,1]=4 91 B8R1.4 CN1CCC=C(Br)C1 MC100076 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.4 CN1CCNC(=O)C1 CS13438 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.4 CN1CCOC(=O)C1 CS17566 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.4 NC1CCNC(=O)C1 CS15459 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.4 NC1CCNC(=O)C1 MC444313 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,1,0,0|0,0,1]=3 97 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,1,0,0|0,0,1]=3 98 B8R1.34 CC(=O)C=C1COC1 MC425334 [1,0,0,1,0,0|1,0,0]=3 99 B8R1.34 CC(=O)SC1CNC1 MC103969 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.34 O=C(O)CC1CCC1 CS11177 [1,0,0,1,0,0|1,0,1]=4 101 B8R1.35 O=C(O)CCC1CC1 CS19562 [1,0,0,1,0,0|1,0,1]=4 102 B10R1.13 CC(=O)N1CCC(N)CC1 CS13776 [0,1,0,1,0,0|1,0,1]=4 103 B10R1.13 CC(=O)N1CCC(N)CC1 CS20412 [0,1,0,1,0,0|1,0,1]=4 104 B10R1.14 CCC(N)C1=CC=C(C)O1 CS16467 [0,1,0,1,0,0|0,0,2]=4 105 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [0,1,0,1,0,0|0,0,2]=4 106 B10R1.10 COCC1CCCC(=O)C1 MC106177 [0,1,0,1,0,0|0,0,2]=4 107 B10R1.16 CC1=NOC(CCCO)=C1 CS22362 [0,1,0,1,0,0|1,0,1]=4 108 B10R1.16 CCCCN1C=C[N+](C)=C1 MC115000 [0,1,0,1,0,0|2,0,0]=4 109 B10R1.16 CCCC[N+]1=CN(C)C=C1 MC21020 [0,1,0,1,0,0|2,0,0]=4 110 B10R1.16 CCCCn1cc[n+](C)c1 CS18801 [0,1,0,1,0,0|2,0,0]=4 111 B10R1.61 CC(=O)C1CCCCC1=O CS21211 [0,1,0,1,0,0|0,0,1]=3 112 B10R1.1 CCCC1CCC(=O)OC1 MC440473 [0,1,0,1,0,0|0,0,2]=4 113 B10R1.15 COC(=O)C1=CCOCC1 MC113105 [0,1,0,1,0,0|1,0,0]=3 114 B10R1.15 COC(=O)C1CCCCC1 CS22810 [0,1,0,1,0,0|0,0,2]=4 115 B10R1.15 COC(=O)C1CCCCN1 CS14321 [0,1,0,1,0,0|1,0,1]=4 116 B10R1.15 COC(=O)C1CCCCN1 CS19622 [0,1,0,1,0,0|1,0,1]=4 117 B10R1.15 COC(=O)C1CCCCN1 CS19623 [0,1,0,1,0,0|1,0,1]=4 118 B10R1.15 NCC(=O)C1CCCCC1 MC103431 [0,1,0,1,0,0|0,0,2]=4