0 B7R0.4 CC(O)CCCCO MC112436 [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 CCCCCC(C)O CS21570 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.4 CN(C)CCCCO CS22813 [0,0,0,0,0,0|2,0,2]=4 3 B7R0.4 COCCCC(C)N MC112163 [0,0,0,0,0,0|4,0,0]=4 4 B6R0.4 CC(C)CCC=O MC428026 [1,0,0,0,0,0|0,0,0]=1 5 B6R0.4 CC(C)CCCO MC428025 [1,0,0,0,0,0|0,0,2]=3 6 B6R0.4 CC(C)NCCN MC20461 [1,0,0,0,0,0|2,0,1]=4 7 B6R0.4 CN(C)CCCBr CS22184 [1,0,0,0,0,0|2,0,1]=4 8 B6R0.4 CN(C)CCCCl CS13505 [1,0,0,0,0,0|2,0,1]=4 9 B6R0.4 CN(C)CCCCl CS14943 [1,0,0,0,0,0|2,0,1]=4 10 B6R0.4 CN(C)\C=C\C=O MC42238 [1,0,0,0,0,0|1,0,2]=4 11 B6R0.4 CNCCN(C)C CS11723 [1,0,0,0,0,0|2,0,1]=4 12 B6R0.4 CNCCN(C)C CS15131 [1,0,0,0,0,0|2,0,1]=4 13 B6R0.6 C=CCCCCCl MC427568 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.6 C=CCCCCN MC111853 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.6 C=CCCCCO CS10397 [1,0,0,0,0,0|3,0,0]=4 16 B6R0.6 C=COCCCN MC41859 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.6 C=COCCON MC106384 [1,0,0,0,0,0|3,0,0]=4 18 B6R0.6 COCCCC=O MC111975 [1,0,0,0,0,0|2,0,0]=3 19 B8R0.28 CC(C)CCCC(C)N MC446672 [0,1,0,0,0,0|2,0,1]=4 20 B8R0.28 CN(C)CCCC(=O)O CS18615 [0,1,0,0,0,0|2,0,0]=3 21 B8R0.28 CN(C)C\C=C\C(=O)O CS15971 [0,1,0,0,0,0|2,0,1]=4 22 B8R0.28 CN(C)C\C=C\C(=O)O CS16134 [0,1,0,0,0,0|2,0,1]=4 23 B8R0.28 CN(C)C\C=C\C(=O)O CS17703 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.4 CC1CC(=O)CCN1 MC101989 [0,0,0,1,0,0|2,0,0]=3 25 B8R1.4 CC1CC(=O)CCN1 MC103769 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.4 CC1CC(=O)CCN1 MC444193 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 CC1CC(=O)CCO1 MC103799 [0,0,0,1,0,0|2,0,0]=3 28 B8R1.4 CC1CC(=O)CCO1 MC103800 [0,0,0,1,0,0|2,0,0]=3 29 B8R1.4 CC1CC(=O)CCO1 MC31001 [0,0,0,1,0,0|2,0,0]=3 30 B8R1.4 CC1CC(O)CCO1 MC31218 [0,0,0,1,0,0|2,0,1]=4 31 B8R1.4 CC1CCNC(C)C1 CS21125 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.4 CC1CNCC(=O)N1 MC103795 [0,0,0,1,0,0|3,0,0]=4 33 B8R1.4 CC1CNCC(=O)N1 MC104244 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 CC1CNCC(=O)N1 MC444027 [0,0,0,1,0,0|3,0,0]=4 35 B8R1.4 CN1CCC=C(Br)C1 MC100076 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.4 CN1CCNC(=O)C1 CS13438 [0,0,0,1,0,0|2,0,0]=3 37 B8R1.4 CN1CCOC(=O)C1 CS17566 [0,0,0,1,0,0|1,0,0]=2 38 B8R1.4 NC1CCNC(=O)C1 CS15459 [0,0,0,1,0,0|2,0,0]=3 39 B8R1.4 NC1CCNC(=O)C1 MC444313 [0,0,0,1,0,0|2,0,0]=3 40 B8R1.4 O=C1CCCC(=O)C1 CS19094 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.4 O=C1CCNC(=O)C1 CS18339 [0,0,0,1,0,0|2,0,1]=4 42 B8R1.6 CCOC1CC(N)C1 MC105049 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.6 CCOC1CC(N)C1 MC105050 [0,0,0,1,0,0|2,0,1]=4 44 B8R1.6 CCOC1CC(N)C1 MC105051 [0,0,0,1,0,0|2,0,1]=4 45 B8R1.72 CC1(C)CCNCC1 CS13819 [0,0,0,1,0,0|2,0,1]=4 46 B8R1.72 CC1(N)CCOCC1 CS14346 [0,0,0,1,0,0|2,0,1]=4 47 B8R1.72 CC1(N)CCOCC1 MC106879 [0,0,0,1,0,0|2,0,1]=4 48 B8R1.72 CC1(O)CCOCC1 CS12641 [0,0,0,1,0,0|2,0,1]=4 49 B5R0.1 CC(C)CC=O CS11530 [2,0,0,0,0,0|0,0,0]=2 50 B5R0.1 CC(N)CCO CS14355 [2,0,0,0,0,0|1,0,0]=3 51 B5R0.1 CC(N)CCO CS14356 [2,0,0,0,0,0|1,0,0]=3 52 B5R0.1 CC(N)CCO CS22096 [2,0,0,0,0,0|1,0,0]=3 53 B5R0.1 CC(O)CON CS17735 [2,0,0,0,0,0|2,0,0]=4 54 B5R0.1 CN(C)CC=O CS17734 [2,0,0,0,0,0|1,0,0]=3 55 B5R0.1 CN(C)CCBr CS10949 [2,0,0,0,0,0|2,0,0]=4 56 B5R0.1 CN(C)CCCl CS14471 [2,0,0,0,0,0|2,0,0]=4 57 B5R0.1 CN(C)CCCl CS17225 [2,0,0,0,0,0|2,0,0]=4 58 B5R0.1 CN(C)CCN CS18603 [2,0,0,0,0,0|2,0,0]=4 59 B5R0.1 CN(C)CCO CS11733 [2,0,0,0,0,0|1,0,0]=3 60 B5R0.1 COCC(C)N CS15401 [2,0,0,0,0,0|1,0,1]=4 61 B5R0.1 COCC(C)O CS20249 [2,0,0,0,0,0|1,0,1]=4 62 B5R0.1 COCC(C)O CS20309 [2,0,0,0,0,0|1,0,1]=4 63 B5R0.1 COCC(C)O CS20741 [2,0,0,0,0,0|1,0,1]=4 64 B5R0.2 CCCCCBr CS20657 [2,0,0,0,0,0|1,0,1]=4 65 B5R0.2 CCCC[Zn]Br MC121334 [2,0,0,0,0,0|2,0,0]=4 66 B5R0.2 CNCCOC MC427349 [2,0,0,0,0,0|1,0,1]=4 67 B5R0.2 COCCCBr CS20649 [2,0,0,0,0,0|1,0,1]=4 68 B5R0.2 COCCCO CS20039 [2,0,0,0,0,0|1,0,1]=4 69 B5R0.2 COCCOC MC41899 [2,0,0,0,0,0|1,0,1]=4 70 B5R0.2 COCCOC MC445008 [2,0,0,0,0,0|1,0,1]=4 71 B7R0.2 CC(C)CC(N)CO CS14853 [1,1,0,0,0,0|0,0,2]=4 72 B7R0.2 CC(C)CC(N)CO CS19307 [1,1,0,0,0,0|0,0,2]=4 73 B7R0.3 C=CCCC(O)CCl MC114485 [1,1,0,0,0,0|2,0,0]=4 74 B7R0.3 COC(=O)CCC=O MC21172 [1,1,0,0,0,0|1,0,1]=4 75 B7R0.6 C=C(C)CCC(=O)O CS16527 [1,1,0,0,0,0|0,0,2]=4 76 B7R0.6 CC(=O)CCC(=O)O CS18688 [1,1,0,0,0,0|1,0,1]=4 77 B7R0.6 CC(C)CCC(=O)Cl MC20895 [1,1,0,0,0,0|0,0,0]=2 78 B7R0.6 CC(C)CCC(C)N MC446673 [1,1,0,0,0,0|1,0,1]=4 79 B7R0.6 CC(C)CO[N+](=O)[O-] MC434046 [1,1,0,0,0,0|1,0,0]=3 80 B7R0.6 CC(N)CCC(=O)O MC435302 [1,1,0,0,0,0|1,0,0]=3 81 B7R0.6 CN(C)CCC(=O)O CS12169 [1,1,0,0,0,0|1,0,0]=3 82 B7R0.1 C=CCCCCCBr CS19607 [1,1,0,0,0,0|2,0,0]=4 83 B7R0.1 COCOCCC=O MC445436 [1,1,0,0,0,0|2,0,0]=4 84 B9R0.53 CC(C)CC(C)CC(=O)O MC112321 [0,2,0,0,0,0|1,0,0]=3 85 B9R0.53 CC(C)CC(N)CC(=O)O CS19014 [0,2,0,0,0,0|1,0,0]=3 86 B9R0.53 CC(C)CC(N)CC(=O)O MC439109 [0,2,0,0,0,0|1,0,0]=3 87 B9R0.7 CC(C)CCC(N)C(=O)O CS10576 [0,2,0,0,0,0|1,0,0]=3 88 B7R1.2 CC1=CC(=O)CC1 CS22356 [1,0,0,1,0,0|0,0,2]=4 89 B7R1.2 CC1=NC(C)CO1 MC428186 [1,0,0,1,0,0|2,0,0]=4 90 B7R1.2 CC1COC(=O)N1 CS14300 [1,0,0,1,0,0|1,0,0]=3 91 B7R1.2 CC1COC(=O)O1 MC428298 [1,0,0,1,0,0|1,0,0]=3 92 B7R1.2 CN1CCC(=O)C1 CS20760 [1,0,0,1,0,0|1,0,0]=3 93 B7R1.2 NC1CNC(=O)C1 MC103473 [1,0,0,1,0,0|2,0,0]=4 94 B7R1.2 NC1COC(=O)C1 CS14340 [1,0,0,1,0,0|1,0,0]=3 95 B7R1.2 NC1COC(=O)C1 CS14674 [1,0,0,1,0,0|1,0,0]=3 96 B7R1.2 O=C1CC(O)CN1 CS14706 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.2 O=C1CC(O)CN1 CS16472 [1,0,0,1,0,0|2,0,0]=4 98 B7R1.2 O=C1CCC(I)C1 MC115016 [1,0,0,1,0,0|1,0,0]=3 99 B7R1.3 BrC1CCOCC1 CS18193 [1,0,0,1,0,0|1,0,1]=4 100 B7R1.3 CC1CCCNC1 CS16133 [1,0,0,1,0,0|1,0,1]=4 101 B7R1.3 CC1CCCNC1 MC425227 [1,0,0,1,0,0|1,0,1]=4 102 B7R1.3 CN1CC=CCC1 CS20742 [1,0,0,1,0,0|2,0,0]=4 103 B7R1.3 IC1CCOCC1 CS18194 [1,0,0,1,0,0|1,0,1]=4 104 B7R1.3 NC1CCOCC1 CS16997 [1,0,0,1,0,0|1,0,1]=4 105 B7R1.3 NC1CCOCC1 CS18985 [1,0,0,1,0,0|1,0,1]=4 106 B7R1.3 OC1CCOCC1 CS13929 [1,0,0,1,0,0|1,0,1]=4 107 B7R1.3 SC1CCOCC1 MC107026 [1,0,0,1,0,0|1,0,1]=4 108 B7R1.5 CC1CC1N=C=O MC121381 [1,0,0,1,0,0|1,0,1]=4 109 B7R1.7 C=CCCC1CO1 MC42008 [1,0,0,1,0,0|2,0,0]=4 110 B7R1.10 COC1CC(N)C1 MC102191 [1,0,0,1,0,0|1,0,1]=4 111 B7R1.10 COC1CC(N)C1 MC102192 [1,0,0,1,0,0|1,0,1]=4 112 B7R1.10 COC1CC(N)C1 MC105249 [1,0,0,1,0,0|1,0,1]=4 113 B7R1.10 COC1CC(N)C1 MC105250 [1,0,0,1,0,0|1,0,1]=4 114 B7R1.10 COC1CC(N)C1 MC112995 [1,0,0,1,0,0|1,0,1]=4 115 B7R1.10 COC1CC(N)C1 MC444289 [1,0,0,1,0,0|1,0,1]=4 116 B7R1.23 O=CC1CC1(F)F MC429258 [1,0,0,1,0,0|2,0,0]=4 117 B7R1.1 O=CC1=CCCC1 CS12865 [1,0,0,1,0,0|1,0,1]=4 118 B7R1.1 O=CC1CCCC1 MC21048 [1,0,0,1,0,0|1,0,0]=3 119 B7R1.4 CC1OCCC1=O CS14135 [1,0,0,1,0,0|2,0,0]=4 120 B7R1.4 CN1CCCC1=O MC41699 [1,0,0,1,0,0|2,0,0]=4 121 B7R1.4 NC1CCNC1=O MC107169 [1,0,0,1,0,0|2,0,0]=4 122 B7R1.4 NC1CCNC1=O MC115917 [1,0,0,1,0,0|2,0,0]=4 123 B7R1.4 NC1CCOC1=O CS18578 [1,0,0,1,0,0|1,0,0]=3 124 B7R1.4 NC1CCOC1=O MC439296 [1,0,0,1,0,0|1,0,0]=3 125 B7R1.4 NC1CCSC1=O MC428331 [1,0,0,1,0,0|1,1,0]=4 126 B7R1.4 NN1CCOC1=O MC102926 [1,0,0,1,0,0|2,0,0]=4 127 B7R1.4 O=C1CCCC1Br MC445112 [1,0,0,1,0,0|2,0,0]=4 128 B7R1.4 O=C1NCCC1O CS19486 [1,0,0,1,0,0|2,0,0]=4 129 B7R1.4 O=C1NCCC1O MC115910 [1,0,0,1,0,0|2,0,0]=4 130 B7R1.4 O=C1NCCC1O MC444274 [1,0,0,1,0,0|2,0,0]=4 131 B7R1.8 O=C1CCC1CO MC104211 [1,0,0,1,0,0|2,0,0]=4 132 B7R1.8 O=C1CCC1CO MC104212 [1,0,0,1,0,0|2,0,0]=4 133 B7R1.8 O=C1CCC1CO MC104213 [1,0,0,1,0,0|2,0,0]=4 134 B9R1.34 CC1CC(=O)CC(=O)C1 CS19597 [0,1,0,1,0,0|1,0,1]=4 135 B9R1.34 CC1CC(=O)CC(C)O1 MC425912 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.38 CC1(C)CC(=O)OC1=O CS19863 [0,1,0,1,0,0|0,0,1]=3 137 B9R1.53 CC(=O)NC1CC(N)C1 MC104659 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.53 NC1CC(CC(=O)O)C1 MC103479 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.53 NC1CC(CC(=O)O)C1 MC103480 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.53 NC1CC(CC(=O)O)C1 MC103481 [0,1,0,1,0,0|2,0,0]=4 141 B9R1.66 CC1(C)CC(=O)CCO1 CS17870 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.66 CC1(C)CCCC(=O)C1 MC10482 [0,1,0,1,0,0|1,0,0]=3 143 B9R1.2 NCC1CCNC(=O)C1 MC101902 [0,1,0,1,0,0|1,0,0]=3 144 B9R1.2 NCC1CCNC(=O)C1 MC102333 [0,1,0,1,0,0|1,0,0]=3 145 B9R1.2 O=C1CC(CO)CCN1 MC444199 [0,1,0,1,0,0|1,0,0]=3 146 B9R1.21 N#CC1CCC(C=O)C1 MC431094 [0,1,0,1,0,0|1,0,1]=4 147 B9R1.49 CN1CCCC(=O)CC1 CS13899 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.118 CC1(CN)CCOCC1 MC104731 [0,1,0,1,0,0|1,0,1]=4 149 B9R1.6 CC(C)C1COCCN1 MC20926 [0,1,0,1,0,0|1,0,1]=4 150 B9R1.6 CC(C)C1COCCN1 MC444041 [0,1,0,1,0,0|1,0,1]=4 151 B9R1.6 CC(C)C1COCCN1 MC444063 [0,1,0,1,0,0|1,0,1]=4 152 B9R1.6 CC(C)C1COCCN1 MC444288 [0,1,0,1,0,0|1,0,1]=4 153 B9R1.40 CC1(C)CCCOC1=O MC112082 [0,1,0,1,0,0|0,0,0]=2 154 B9R1.40 CC1(C)COCCC1=O CS16380 [0,1,0,1,0,0|1,0,0]=3 155 B9R1.35 CC(C)C1COC(=O)N1 CS22803 [0,1,0,1,0,0|0,0,0]=2 156 B9R1.35 CC(C)C1CSC(=S)N1 CS14634 [0,1,0,1,0,0|0,2,0]=4 157 B9R1.35 CC1CNC(C(=O)O)C1 MC100332 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.35 CN1CCC(C(=O)O)C1 CS18297 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.35 CN1CCC(C(=O)O)C1 MC103798 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.35 CN1CCC(C(=O)O)C1 MC104573 [0,1,0,1,0,0|2,0,0]=4 161 B9R1.35 CN1CCC(C(=O)O)C1 MC444131 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.35 NC1CCC(C(=O)O)C1 CS14934 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.35 NC1CCC(C(=O)O)C1 CS16161 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.35 NC1CCC(C(=O)O)C1 CS17903 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.35 NC1CCC(C(=O)O)C1 MC105619 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.69 CN1CCC(N)CC1=O MC105288 [0,1,0,1,0,0|2,0,0]=4 167 B9R2.109 O=C1CCCC2CC12 MC102253 [0,0,0,2,0,0|1,0,0]=3