0 B8R0.7 COCCOCC(=O)O MC10458 [0,0,0,0,0,0|3,1,0]=4 1 B8R0.7 CSCCCCC(=O)O MC112374 [0,0,0,0,0,0|2,0,0]=2 2 B8R0.7 NCCCCCC(=O)O CS13381 [0,0,0,0,0,0|4,0,0]=4 3 B8R0.7 O=C(O)CCCCCBr CS18405 [0,0,0,0,0,0|4,0,0]=4 4 B7R0.1 COCOCCC=O MC445436 [1,0,0,0,0,0|2,1,0]=4 5 B7R0.4 C#CCCCC(=O)O CS14686 [1,0,0,0,0,0|2,0,1]=4 6 B7R0.4 CC#CCOC(C)=O MC434061 [1,0,0,0,0,0|0,0,2]=3 7 B7R0.4 CC(=O)CCCCBr CS10627 [1,0,0,0,0,0|2,0,0]=3 8 B7R0.4 CCCCCC(C)O CS21570 [1,0,0,0,0,0|1,0,2]=4 9 B7R0.4 CCCOCC(=O)O MC425744 [1,0,0,0,0,0|3,0,0]=4 10 B7R0.4 CCC\C=C\C(C)=O MC20875 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.4 COCCCC(C)N MC112163 [1,0,0,0,0,0|1,1,1]=4 12 B7R0.4 NCCCCC(=O)O MC428108 [1,0,0,0,0,0|3,0,0]=4 13 B7R0.4 O=C(O)CCCCBr MC41866 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.2 CCCCCCCC(=O)Cl MC40496 [0,1,0,0,0,0|3,0,0]=4 15 B9R0.2 CCCCCCOC(=O)Cl CS11449 [0,1,0,0,0,0|2,0,0]=3 16 B9R0.2 CCCSCCCC(=O)O MC112372 [0,1,0,0,0,0|3,0,0]=4 17 B9R0.2 NCCCCCCC(=O)O CS10138 [0,1,0,0,0,0|3,0,0]=4 18 B9R0.2 O=C(O)CCCCCCO CS10820 [0,1,0,0,0,0|3,0,0]=4 19 B9R0.4 C[Se]CCC(N)CC(=O)O MC435596 [0,1,0,0,0,0|2,1,0]=4 20 B9R0.4 C[Se]CCC(N)CC(=O)O MC435597 [0,1,0,0,0,0|2,1,0]=4 21 B9R0.46 COC(=O)CCCCCN CS11662 [0,1,0,0,0,0|3,0,0]=4 22 B9R0.48 CCCC(C)CCC(=O)O MC112366 [0,1,0,0,0,0|3,0,0]=4 23 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,0,0,1,0,0|3,0,0]=4 24 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,0,0,1,0,0|3,0,0]=4 25 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,0,0,1,0,0|3,0,0]=4 26 B9R1.6 CC(=O)C1C=CCCC1 MC430670 [0,0,0,1,0,0|2,0,1]=4 27 B9R1.6 CC(=O)C1CC=CCC1 MC430669 [0,0,0,1,0,0|2,0,1]=4 28 B9R1.6 CC(=O)C1CCOCC1 CS13055 [0,0,0,1,0,0|3,0,0]=4 29 B9R1.6 CC(=O)N1CCNCC1 CS18512 [0,0,0,1,0,0|3,0,0]=4 30 B9R1.6 NC(=O)C1CCCNC1 CS18298 [0,0,0,1,0,0|3,0,0]=4 31 B9R1.6 NC(=O)C1CCCNC1 MC103934 [0,0,0,1,0,0|3,0,0]=4 32 B9R1.6 NC(=O)C1CCCNC1 MC105293 [0,0,0,1,0,0|3,0,0]=4 33 B9R1.6 O=C(O)C1CCCCC1 CS16426 [0,0,0,1,0,0|3,0,0]=4 34 B9R1.6 O=C(O)C1CCCNC1 CS12538 [0,0,0,1,0,0|3,0,0]=4 35 B9R1.6 O=C(O)C1CCCNC1 CS22802 [0,0,0,1,0,0|3,0,0]=4 36 B9R1.6 O=C(O)C1CCCNC1 CS22806 [0,0,0,1,0,0|3,0,0]=4 37 B9R1.6 O=C(O)C1CCCOC1 CS18526 [0,0,0,1,0,0|2,1,0]=4 38 B9R1.6 O=C(O)C1CCCSC1 MC113062 [0,0,0,1,0,0|2,0,0]=3 39 B9R1.6 O=C(O)C1CSCCN1 CS19640 [0,0,0,1,0,0|3,0,0]=4 40 B9R1.7 CCCC1COC(=O)C1 MC426027 [0,0,0,1,0,0|1,0,0]=2 41 B9R1.13 O=C(Cl)OC1CCCC1 CS11187 [0,0,0,1,0,0|2,0,0]=3 42 B9R1.13 O=C(O)CC1CCCC1 MC112805 [0,0,0,1,0,0|3,0,0]=4 43 B9R1.13 O=C(O)CC1CCNC1 MC104574 [0,0,0,1,0,0|3,0,0]=4 44 B9R1.13 O=C(O)CC1CCNC1 MC105475 [0,0,0,1,0,0|3,0,0]=4 45 B9R1.13 O=C(O)CC1CCOC1 CS20367 [0,0,0,1,0,0|2,1,0]=4 46 B9R1.41 CN1CCCC1C(=O)O CS11794 [0,0,0,1,0,0|3,0,0]=4 47 B9R1.41 CN1CCCC1C(=O)O MC437939 [0,0,0,1,0,0|3,0,0]=4 48 B9R1.48 O=C1CCCCC(=O)C1 CS20375 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.48 O=C1CCCNC(=O)C1 MC428135 [0,0,0,1,0,0|3,0,0]=4 50 B9R1.50 O=C1CCCCCCN1 CS21316 [0,0,0,1,0,0|2,0,0]=3 51 B6R0.6 C=COCCCN MC41859 [2,0,0,0,0,0|1,0,1]=4 52 B6R0.6 COCCCC=O MC111975 [2,0,0,0,0,0|0,1,0]=3 53 B6R0.6 COCCCCBr CS22933 [2,0,0,0,0,0|2,0,0]=4 54 B6R0.6 COCCCCCl MC428014 [2,0,0,0,0,0|2,0,0]=4 55 B6R0.4 CC(=O)CCCBr CS10305 [2,0,0,0,0,0|1,0,0]=3 56 B6R0.4 CC(=O)CCCCl CS10334 [2,0,0,0,0,0|1,0,0]=3 57 B6R0.4 CC(=O)NCCCl MC33011 [2,0,0,0,0,0|2,0,0]=4 58 B6R0.4 CCCCC(=O)Cl MC40508 [2,0,0,0,0,0|1,0,0]=3 59 B6R0.4 NCCCC(=O)O CS14998 [2,0,0,0,0,0|2,0,0]=4 60 B6R0.4 NCCCC(N)=O MC112262 [2,0,0,0,0,0|2,0,0]=4 61 B6R0.4 O=C(Cl)CCCCl MC40450 [2,0,0,0,0,0|2,0,0]=4 62 B6R0.4 O=C(O)CCCBr CS14053 [2,0,0,0,0,0|2,0,0]=4 63 B8R0.4 CCCCCOCCO MC437002 [1,1,0,0,0,0|1,0,1]=4 64 B8R0.8 CCCCC(N)C(=O)O MC428079 [1,1,0,0,0,0|2,0,0]=4 65 B8R0.8 CCCCC(N)C(=O)O MC428113 [1,1,0,0,0,0|2,0,0]=4 66 B8R0.8 CCCCC(N)C(=O)O MC428121 [1,1,0,0,0,0|2,0,0]=4 67 B8R0.8 CCCCC(N)C(N)=O MC438017 [1,1,0,0,0,0|2,0,0]=4 68 B8R0.8 CSCCC(N)C(=O)O CS18644 [1,1,0,0,0,0|1,0,0]=3 69 B8R0.8 CSCCC(N)C(=O)O MC428038 [1,1,0,0,0,0|1,0,0]=3 70 B8R0.8 CSCCC(N)C(=O)O MC428332 [1,1,0,0,0,0|1,0,0]=3 71 B8R0.8 CSCCC(N)C(N)=O MC437951 [1,1,0,0,0,0|1,0,0]=3 72 B8R0.8 CSCCC(N)C(N)=O MC439009 [1,1,0,0,0,0|1,0,0]=3 73 B8R0.8 C[Se]CCC(N)C(=O)O MC435432 [1,1,0,0,0,0|1,1,0]=4 74 B8R0.8 C[Se]CCC(N)C(=O)O MC435562 [1,1,0,0,0,0|1,1,0]=4 75 B8R0.28 CN(C)CCCC(=O)O CS18615 [1,1,0,0,0,0|2,0,0]=4 76 B10R0.74 COC(=O)CCCCCCN CS14288 [0,2,0,0,0,0|2,0,0]=4 77 B8R1.2 CNC1CCOCC1 CS15192 [1,0,0,1,0,0|1,0,1]=4 78 B8R1.2 CSC1CCNCC1 MC444359 [1,0,0,1,0,0|1,0,1]=4 79 B8R1.2 O=CC1CCCCC1 MC20143 [1,0,0,1,0,0|2,0,0]=4 80 B8R1.2 O=CC1CCCOC1 MC442323 [1,0,0,1,0,0|1,1,0]=4 81 B8R1.5 CC1=NCCCN1C MC20695 [1,0,0,1,0,0|2,0,0]=4 82 B8R1.5 O=C1OCCCC1O CS16147 [1,0,0,1,0,0|2,0,0]=4 83 B8R1.49 C1=CCCCCCC1 MC445004 [1,0,0,1,0,0|2,0,0]=4 84 B8R1.1 NCC1CNC(=O)C1 MC101927 [1,0,0,1,0,0|2,0,0]=4 85 B8R1.1 NCC1CNC(=O)C1 MC105678 [1,0,0,1,0,0|2,0,0]=4 86 B8R1.1 NCC1CNC(=O)C1 MC121239 [1,0,0,1,0,0|2,0,0]=4 87 B8R1.1 NCC1COC(=O)N1 MC104254 [1,0,0,1,0,0|2,0,0]=4 88 B8R1.1 O=C1CC(CF)CO1 MC10217 [1,0,0,1,0,0|1,0,0]=3 89 B8R1.1 O=C1NC(CO)CO1 MC427148 [1,0,0,1,0,0|1,1,0]=4 90 B8R1.4 CC1CC(=O)CCN1 MC101989 [1,0,0,1,0,0|2,0,0]=4 91 B8R1.4 CC1CC(=O)CCN1 MC103769 [1,0,0,1,0,0|2,0,0]=4 92 B8R1.4 CC1CC(=O)CCN1 MC444193 [1,0,0,1,0,0|2,0,0]=4 93 B8R1.4 CC1CC(=O)CCO1 MC103799 [1,0,0,1,0,0|2,0,0]=4 94 B8R1.4 CC1CC(=O)CCO1 MC103800 [1,0,0,1,0,0|2,0,0]=4 95 B8R1.4 CC1CC(=O)CCO1 MC31001 [1,0,0,1,0,0|2,0,0]=4 96 B8R1.4 CN1CCNC(=O)C1 CS13438 [1,0,0,1,0,0|2,0,0]=4 97 B8R1.4 CN1CCOC(=O)C1 CS17566 [1,0,0,1,0,0|1,0,0]=3 98 B8R1.4 NC1CCNC(=O)C1 CS15459 [1,0,0,1,0,0|2,0,0]=4 99 B8R1.4 NC1CCNC(=O)C1 MC444313 [1,0,0,1,0,0|2,0,0]=4 100 B8R1.4 O=C1CCCC(=O)C1 CS19094 [1,0,0,1,0,0|2,0,0]=4 101 B8R1.7 CC(=O)C1CCCC1 CS20673 [1,0,0,1,0,0|1,0,0]=3 102 B8R1.7 CC(=O)C1CCCC1 MC445790 [1,0,0,1,0,0|1,0,0]=3 103 B8R1.7 O=C(O)C1CCNC1 CS18444 [1,0,0,1,0,0|2,0,0]=4 104 B8R1.7 O=C(O)C1CCNC1 CS19637 [1,0,0,1,0,0|2,0,0]=4 105 B8R1.7 O=C(O)C1CCOC1 CS19475 [1,0,0,1,0,0|1,1,0]=4 106 B8R1.7 O=C(O)C1CCOC1 MC444586 [1,0,0,1,0,0|1,1,0]=4 107 B8R1.7 O=C(O)C1CSCN1 CS15627 [1,0,0,1,0,0|2,0,0]=4 108 B8R1.7 O=C(O)C1CSCN1 MC20446 [1,0,0,1,0,0|2,0,0]=4 109 B8R1.7 O=C([O-])C1CSCN1 MC436714 [1,0,0,1,0,0|2,0,0]=4 110 B8R1.34 CC(=O)SC1CNC1 MC103969 [1,0,0,1,0,0|1,1,0]=4 111 B8R1.34 O=C(O)CC1CCC1 CS11177 [1,0,0,1,0,0|2,0,0]=4 112 B8R1.34 O=C(O)CC1CNC1 MC103917 [1,0,0,1,0,0|2,0,0]=4 113 B8R1.34 O=C(O)CC1CNC1 MC444240 [1,0,0,1,0,0|2,0,0]=4 114 B8R1.34 O=C(O)CC1COC1 MC444158 [1,0,0,1,0,0|1,1,0]=4 115 B8R1.35 O=C(O)CCC1CC1 CS19562 [1,0,0,1,0,0|2,0,0]=4 116 B10R1.13 CC(=O)N1CCC(N)CC1 CS13776 [0,1,0,1,0,0|2,0,0]=4 117 B10R1.13 CC(=O)N1CCC(N)CC1 CS20412 [0,1,0,1,0,0|2,0,0]=4 118 B10R1.10 CCCC1CCCC(=O)C1 MC106166 [0,1,0,1,0,0|2,0,0]=4 119 B10R1.10 COCC1CCCC(=O)C1 MC106177 [0,1,0,1,0,0|1,1,0]=4 120 B10R1.1 CCCC1CCC(=O)OC1 MC440473 [0,1,0,1,0,0|1,0,0]=3 121 B10R1.15 COC(=O)C1CCCCC1 CS22810 [0,1,0,1,0,0|2,0,0]=4 122 B10R1.15 COC(=O)C1CCCNC1 CS15320 [0,1,0,1,0,0|2,0,0]=4 123 B10R1.15 COC(=O)C1CCCNC1 CS19621 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.15 COC(=O)C1CCCOC1 CS14631 [0,1,0,1,0,0|1,1,0]=4 125 B10R1.15 NCC(=O)C1CCCCC1 MC103431 [0,1,0,1,0,0|2,0,0]=4 126 B10R2.332 O=C1CC2(CNC2)CN1 CS17396 [0,0,0,2,0,0|2,0,0]=4