0 B7R0.4 CC(=O)CCCCCl AM90172 [0,0,0,0,0,0|1,0,2]=3 1 B7R0.4 CC(=O)NCCCN AMY36360 [0,0,0,0,0,0|2,0,1]=3 2 B7R0.4 CCCCC[C@@H](C)O AMY25723 [0,0,0,0,0,0|0,0,4]=4 3 B7R0.4 CCCCC[C@H](C)N AMY3809 [0,0,0,0,0,0|1,0,3]=4 4 B7R0.4 CCCCOC(C)=O AMY11075 [0,0,0,0,0,0|1,0,1]=2 5 B7R0.4 CCCOCC(=O)O AMY4018 [0,0,0,0,0,0|2,0,1]=3 6 B7R0.4 CCC\C=C\[N+](=O)[O-] AMY23948 [0,0,0,0,0,0|2,0,0]=2 7 B7R0.4 CCO\C=C\C(=O)Cl AMY22514 [0,0,0,0,0,0|2,0,0]=2 8 B7R0.4 CCO\C=C\C(=O)O AMY9262 [0,0,0,0,0,0|2,0,0]=2 9 B7R0.4 CNCCCC(=O)O AMY5046 [0,0,0,0,0,0|2,0,2]=4 10 B7R0.4 CNCCOC(C)=O AMY15057 [0,0,0,0,0,0|2,0,1]=3 11 B7R0.4 NC(=O)COCCCl AMY17904 [0,0,0,0,0,0|3,0,1]=4 12 B7R0.4 NCCCCC(=O)O AM82459 [0,0,0,0,0,0|2,0,2]=4 13 B7R0.4 NCCCCC(=O)O AMY39227 [0,0,0,0,0,0|2,0,2]=4 14 B7R0.4 O=C(Cl)CCCCBr AM85775 [0,0,0,0,0,0|2,0,2]=4 15 B7R0.4 O=C(Cl)CCCCCl AMY12305 [0,0,0,0,0,0|2,0,2]=4 16 B7R0.4 O=C(O)CCCCBr AM85660 [0,0,0,0,0,0|2,0,2]=4 17 B7R0.4 O=C(O)CCCCCl AMY40897 [0,0,0,0,0,0|2,0,2]=4 18 B7R0.4 O=C(O)COCCCl AMY28725 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.4 C#CCOC(C)=O AM90264 [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 C=CCCC(C)=O AM84335 [1,0,0,0,0,0|0,0,3]=4 21 B6R0.4 C=CCOC(C)=O AMY22115 [1,0,0,0,0,0|1,0,2]=4 22 B6R0.4 CC(=O)NCCN AMY40665 [1,0,0,0,0,0|2,0,0]=3 23 B6R0.4 CCCCC(=O)[O-] AMY026 [1,0,0,0,0,0|1,0,1]=3 24 B6R0.4 CCCCN(C)C AMY25818 [1,0,0,0,0,0|2,0,1]=4 25 B6R0.4 CCCOC(=O)Cl AMY3779 [1,0,0,0,0,0|2,0,0]=3 26 B6R0.4 CCOCC(=O)O AMY4062 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.4 CCSCC(=O)O AM20100532 [1,0,0,0,0,0|2,0,1]=4 28 B6R0.4 CNCCC(=O)O AM84855 [1,0,0,0,0,0|2,0,1]=4 29 B6R0.4 COCCC(=O)O AMY2689 [1,0,0,0,0,0|2,0,1]=4 30 B6R0.4 NC(=O)OCCCl AMY19018 [1,0,0,0,0,0|3,0,0]=4 31 B6R0.4 NCCCC(=O)O AM20100372 [1,0,0,0,0,0|2,0,1]=4 32 B6R0.4 NCCCC(N)=O AMY15220 [1,0,0,0,0,0|2,0,1]=4 33 B6R0.4 O=C(Cl)CCCCl AMY25684 [1,0,0,0,0,0|2,0,1]=4 34 B6R0.4 O=C(O)CCCS AM20080221 [1,0,0,0,0,0|2,0,1]=4 35 B6R0.4 O=C(O)\C=C\CBr AMY7050 [1,0,0,0,0,0|2,0,0]=3 36 B6R0.6 CCCCCCC AMY22304 [1,0,0,0,0,0|0,0,3]=4 37 B6R0.6 CCCCNCC AMY3985 [1,0,0,0,0,0|1,0,2]=4 38 B6R0.6 CCCCON=O AMY4016 [1,0,0,0,0,0|2,0,1]=4 39 B6R0.6 C\C=C\CCCO AMY2616 [1,0,0,0,0,0|1,0,1]=3 40 B6R0.6 O=CCCCCCl AMY772 [1,0,0,0,0,0|1,0,2]=4 41 B8R0.5 CCOC(=O)C=C(F)F AMY14713 [0,1,0,0,0,0|3,0,0]=4 42 B8R0.5 CCOC(=O)CC(=O)Cl AM90203 [0,1,0,0,0,0|2,0,1]=4 43 B8R0.5 CCOC(=O)CC(=O)O AMY3657 [0,1,0,0,0,0|2,0,1]=4 44 B8R0.5 CCOC(=O)CC(=O)[O-] AMY4053 [0,1,0,0,0,0|2,0,1]=4 45 B8R0.5 CCOC(=O)CC(N)=O AMY2619 [0,1,0,0,0,0|2,0,1]=4 46 B8R0.6 CCCCNC(=O)CCl AM20100314 [0,1,0,0,0,0|1,0,1]=3 47 B8R0.6 CCNCCC(=O)OC AMY20543 [0,1,0,0,0,0|1,0,2]=4 48 B8R0.6 COC(=O)CCCCBr AM20120637 [0,1,0,0,0,0|1,0,2]=4 49 B8R0.7 CC(=O)CCCCCBr AMY24068 [0,1,0,0,0,0|0,0,2]=3 50 B8R0.7 CC(=O)OCCCC=O AM10056 [0,1,0,0,0,0|1,0,2]=4 51 B8R0.7 CCCCCCC(=O)O AMY41347 [0,1,0,0,0,0|1,0,2]=4 52 B8R0.7 NCCCCCC(=O)O AM82438 [0,1,0,0,0,0|1,0,2]=4 53 B8R0.7 NCCCCCC(=O)O AMY977 [0,1,0,0,0,0|1,0,2]=4 54 B8R0.7 O=C(Cl)CCCCCBr AMY14557 [0,1,0,0,0,0|1,0,2]=4 55 B8R0.7 O=C(O)CCCCCBr AM20100119 [0,1,0,0,0,0|1,0,2]=4 56 B8R0.7 O=C(O)CCCCCO AM10824 [0,1,0,0,0,0|1,0,2]=4 57 B8R0.8 C=C(C)C(=O)NCCO AMY25704 [0,1,0,0,0,0|3,0,0]=4 58 B8R0.8 C=C(C)C(=O)NCOC AMY11203 [0,1,0,0,0,0|3,0,0]=4 59 B8R0.8 C=C(C)C(=O)OCCCl AMY18680 [0,1,0,0,0,0|3,0,0]=4 60 B8R0.8 C=C(C)C(=O)OCCN AM10040 [0,1,0,0,0,0|3,0,0]=4 61 B8R0.8 C=C(C)C(=O)OCCN AM90246 [0,1,0,0,0,0|3,0,0]=4 62 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [0,1,0,0,0,0|1,0,1]=3 63 B8R0.8 CCCCC(=O)C(=O)[O-] AMY38328 [0,1,0,0,0,0|1,0,1]=3 64 B8R0.8 CCCCC(=O)[C@H](C)N AM20120673 [0,1,0,0,0,0|1,0,2]=4 65 B8R0.8 CCCC[C@H](N)C(=O)O AM82583 [0,1,0,0,0,0|1,0,2]=4 66 B8R0.8 CCCC[C@H](N)C(=O)O AM82584 [0,1,0,0,0,0|1,0,2]=4 67 B8R0.8 CCCC[C@H](N)C(=O)O AM82585 [0,1,0,0,0,0|1,0,2]=4 68 B8R0.9 CC=C(C)C=CC(=O)O AM806492 [0,1,0,0,0,0|1,0,2]=4 69 B8R0.9 CCC(=O)COC(C)=O AM20080565 [0,1,0,0,0,0|1,0,2]=4 70 B8R0.21 CCCCOS(C)(=O)=O AMY3886 [0,1,0,0,0,0|2,0,1]=4 71 B8R0.28 C=C(C)CCCC(C)=O AMY15319 [0,1,0,0,0,0|0,0,3]=4 72 B8R0.28 CC(=O)C\C=C\C(=O)O AMY24785 [0,1,0,0,0,0|1,0,1]=3 73 B8R0.28 CC(C)COCC(=O)O AM85004 [0,1,0,0,0,0|2,0,1]=4 74 B8R0.28 CN(C)C\C=C\C(=O)Cl AMY14966 [0,1,0,0,0,0|2,0,0]=3 75 B8R0.28 CN(C)C\C=C\C(=O)O AM20120398 [0,1,0,0,0,0|2,0,0]=3 76 B8R1.1 CC1=CC=C(CN)S1 AM802866 [0,0,0,1,0,0|1,1,1]=4 77 B8R1.1 CC1=CC=C(CN)S1 AMY4599 [0,0,0,1,0,0|1,1,1]=4 78 B8R1.1 CC1=CC=C(CO)O1 AMY41923 [0,0,0,1,0,0|1,0,2]=4 79 B8R1.1 CC1=CC=C(CO)S1 AM804180 [0,0,0,1,0,0|1,1,1]=4 80 B8R1.1 CCN1C=CC(N)=N1 AM20100358 [0,0,0,1,0,0|3,0,0]=4 81 B8R1.1 CCN1C=C[N+](C)=C1 AMY18805 [0,0,0,1,0,0|3,0,0]=4 82 B8R1.1 CCN1C=C[N+](C)=C1 AMY19717 [0,0,0,1,0,0|3,0,0]=4 83 B8R1.1 CCN1C=C[N+](C)=C1 AMY23162 [0,0,0,1,0,0|3,0,0]=4 84 B8R1.1 CCN1C=C[N+](C)=C1 AMY23163 [0,0,0,1,0,0|3,0,0]=4 85 B8R1.1 CCN1C=C[N+](C)=C1 AMY23164 [0,0,0,1,0,0|3,0,0]=4 86 B8R1.1 CCN1C=C[N+](C)=C1 AMY3528 [0,0,0,1,0,0|3,0,0]=4 87 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,0,0,1,0,0|2,0,1]=4 88 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,0,0,1,0,0|2,0,1]=4 89 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,0,0,1,0,0|2,0,1]=4 90 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,0,0,1,0,0|2,0,1]=4 91 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 AMY33458 [0,0,0,1,0,0|2,0,1]=4 92 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 AMY14944 [0,0,0,1,0,0|2,0,1]=4 93 B8R1.1 O=C1C=C[C@@H](CO)O1 AMY42490 [0,0,0,1,0,0|2,0,0]=3 94 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,0,0,1,0,0|2,0,1]=4 95 B8R1.4 CC1=CC(C)=NC=C1 AM20050655 [0,0,0,1,0,0|2,0,1]=4 96 B8R1.4 CC1=CC=CC(C)=N1 AM10711 [0,0,0,1,0,0|1,0,2]=4 97 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,0,0,1,0,0|1,0,2]=4 98 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,0,0,1,0,0|2,0,1]=4 99 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,0,0,1,0,0|1,0,2]=4 100 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,0,0,1,0,0|1,0,2]=4 101 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,0,0,1,0,0|1,0,2]=4 102 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,0,0,1,0,0|1,0,2]=4 103 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,0,0,1,0,0|2,0,1]=4 104 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,0,0,1,0,0|2,0,1]=4 105 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,0,0,1,0,0|2,0,1]=4 106 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,0,0,1,0,0|2,0,1]=4 107 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,0,0,1,0,0|2,0,1]=4 108 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,0,0,1,0,0|2,0,1]=4 109 B8R1.7 C=C(C)C1=NCCO1 AMY10787 [0,0,0,1,0,0|3,0,0]=4 110 B8R1.7 CC(=O)C1=CC=CN1 AM90575 [0,0,0,1,0,0|1,0,2]=4 111 B8R1.7 CC(=O)C1=CC=CO1 AM91073 [0,0,0,1,0,0|1,0,2]=4 112 B8R1.7 CC(=O)C1=CC=CS1 AM82005 [0,0,0,1,0,0|1,0,2]=4 113 B8R1.7 CC(=O)C1=CCC=C1 AMY2881 [0,0,0,1,0,0|0,0,2]=3 114 B8R1.7 CC(=O)C1=CN=CS1 AM20120324 [0,0,0,1,0,0|2,0,1]=4 115 B8R1.7 CC(=O)C1=CNC=C1 AM20080688 [0,0,0,1,0,0|1,0,2]=4 116 B8R1.7 CC(=O)C1=CNC=N1 AM20100516 [0,0,0,1,0,0|2,0,1]=4 117 B8R1.7 CC(=O)C1=CNN=C1 AMY34508 [0,0,0,1,0,0|2,0,1]=4 118 B8R1.7 CC(=O)C1=CSC=C1 AM84424 [0,0,0,1,0,0|1,0,2]=4 119 B8R1.7 CC(=O)C1=CSC=N1 AM20100015 [0,0,0,1,0,0|2,0,1]=4 120 B8R1.7 CC(=O)C1=NCCC1 AMY42086 [0,0,0,1,0,0|1,0,0]=2 121 B8R1.7 CC(=O)C1=NCCS1 AMY14187 [0,0,0,1,0,0|2,0,0]=3 122 B8R1.7 CC(=O)C1=NNC=C1 AM803485 [0,0,0,1,0,0|2,0,1]=4 123 B8R1.7 CC(=O)C1CCCC1 AMY7477 [0,0,0,1,0,0|0,0,2]=3 124 B8R1.7 CC(=O)[C@H]1CCOC1 AMY6005 [0,0,0,1,0,0|1,0,2]=4 125 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20080102 [0,0,0,1,0,0|2,0,1]=4 126 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100548 [0,0,0,1,0,0|2,0,1]=4 127 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100732 [0,0,0,1,0,0|2,0,1]=4 128 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82205 [0,0,0,1,0,0|2,0,1]=4 129 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82206 [0,0,0,1,0,0|2,0,1]=4 130 B8R1.7 O=C(Cl)N1CCCC1 AMY737 [0,0,0,1,0,0|2,0,1]=4 131 B8R1.7 O=C(Cl)[C@@H]1CCCO1 AMY8077 [0,0,0,1,0,0|2,0,1]=4 132 B8R1.7 O=C(O)C1=CCCC1 AM20080408 [0,0,0,1,0,0|1,0,0]=2 133 B8R1.7 O=C(O)C1=CCNC1 AMY32011 [0,0,0,1,0,0|2,0,0]=3 134 B8R1.7 O=C(O)C1CCCC1 AM83283 [0,0,0,1,0,0|1,0,2]=4 135 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [0,0,0,1,0,0|2,0,1]=4 136 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [0,0,0,1,0,0|2,0,1]=4 137 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [0,0,0,1,0,0|2,0,1]=4 138 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [0,0,0,1,0,0|2,0,1]=4 139 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20090013 [0,0,0,1,0,0|2,0,1]=4 140 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110255 [0,0,0,1,0,0|2,0,1]=4 141 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110256 [0,0,0,1,0,0|2,0,1]=4 142 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [0,0,0,1,0,0|2,0,1]=4 143 B8R1.7 OB(O)C1=CCCC1 AMY982 [0,0,0,1,0,0|2,0,1]=4 144 B8R1.22 O=C1CCCCCC1 AMY3995 [0,0,0,1,0,0|0,0,2]=3 145 B8R1.22 O=C1CCCCCN1 AM802872 [0,0,0,1,0,0|1,0,1]=3 146 B8R1.22 O=C1CCCNCC1 AM20100232 [0,0,0,1,0,0|1,0,2]=4 147 B8R1.22 O=C1CCNCCN1 AM20090172 [0,0,0,1,0,0|2,0,1]=4 148 B8R1.22 O=C1CCNCCN1 AM85736 [0,0,0,1,0,0|2,0,1]=4 149 B8R1.22 O=C1CNCCCN1 AM804637 [0,0,0,1,0,0|2,0,1]=4 150 B8R1.31 CC1CCC1C(=O)O AM807028 [0,0,0,1,0,0|1,0,2]=4 151 B8R1.34 CC(=O)C=C1COC1 AMY5443 [0,0,0,1,0,0|1,0,0]=2 152 B8R1.34 CC(=O)NC1CNC1 AMY34221 [0,0,0,1,0,0|2,0,1]=4 153 B8R1.34 O=C(O)C=C1CCC1 AMY33602 [0,0,0,1,0,0|1,0,0]=2 154 B8R1.34 O=C(O)CC1CCC1 AM807029 [0,0,0,1,0,0|1,0,2]=4 155 B8R1.34 O=C(O)CN1CCC1 AMY21704 [0,0,0,1,0,0|2,0,1]=4 156 B8R1.34 O=[N+]([O-])C=C1COC1 AM20020055 [0,0,0,1,0,0|3,0,0]=4 157 B8R1.35 O=C(O)CCC1CC1 AM8844 [0,0,0,1,0,0|1,0,2]=4 158 B8R1.35 O=C(O)\C=C\C1CC1 AMY34843 [0,0,0,1,0,0|1,0,0]=2 159 B5R0.1 C=C(C)CCBr AMY7022 [2,0,0,0,0,0|2,0,0]=4 160 B5R0.1 C=CCC(C)=O AMY31929 [2,0,0,0,0,0|0,0,2]=4 161 B5R0.1 CC(=O)CC#N AM86800 [2,0,0,0,0,0|1,0,1]=4 162 B5R0.1 CC(=O)CC#N AMY7035 [2,0,0,0,0,0|1,0,1]=4 163 B5R0.1 CC(=O)CCO AMY31061 [2,0,0,0,0,0|1,0,0]=3 164 B5R0.1 CC(=O)OCCl AMY28690 [2,0,0,0,0,0|2,0,0]=4 165 B5R0.1 CC(=O)\C=N\O AM806560 [2,0,0,0,0,0|2,0,0]=4 166 B5R0.1 CC(C)=CC=O AMY42093 [2,0,0,0,0,0|2,0,0]=4 167 B5R0.1 CC(C)=CCBr AMY21882 [2,0,0,0,0,0|2,0,0]=4 168 B5R0.1 CCCC(=N)N AM802888 [2,0,0,0,0,0|2,0,0]=4 169 B5R0.1 CCCC(=N)N AMY2389 [2,0,0,0,0,0|2,0,0]=4 170 B5R0.1 CCCC(C)=O AMY25524 [2,0,0,0,0,0|0,0,0]=2 171 B5R0.1 CCC[C@H](C)N AMY12548 [2,0,0,0,0,0|1,0,1]=4 172 B5R0.1 CCOC(C)=N AM90190 [2,0,0,0,0,0|2,0,0]=4 173 B5R0.1 CCOC(N)=O AM20100253 [2,0,0,0,0,0|2,0,0]=4 174 B5R0.1 CCSC(C)=S AM90236 [2,0,0,0,0,0|1,1,0]=4 175 B5R0.1 CNCC(=O)O AM20080021 [2,0,0,0,0,0|2,0,0]=4 176 B5R0.1 CNCC(C)=O AM806508 [2,0,0,0,0,0|1,0,0]=3 177 B5R0.1 CNCC(N)=O AM82642 [2,0,0,0,0,0|2,0,0]=4 178 B5R0.1 COCC(=O)Cl AMY40728 [2,0,0,0,0,0|2,0,0]=4 179 B5R0.1 COCC(=O)O AMY4059 [2,0,0,0,0,0|2,0,0]=4 180 B5R0.1 CSCC(N)=O AMY10906 [2,0,0,0,0,0|2,0,0]=4 181 B5R0.1 C\C(Br)=C/CO AMY11209 [2,0,0,0,0,0|2,0,0]=4 182 B5R0.1 C\C=C\C(=O)O AMY11255 [2,0,0,0,0,0|1,0,0]=3 183 B5R0.1 C\C=C\C(C)=O AMY31928 [2,0,0,0,0,0|0,0,0]=2 184 B5R0.1 C\C=C\[N+](=O)[O-] AMY23936 [2,0,0,0,0,0|2,0,0]=4 185 B5R0.1 NCCC(=O)O AM20080020 [2,0,0,0,0,0|2,0,0]=4 186 B5R0.1 NCCC(=O)O AMY22128 [2,0,0,0,0,0|2,0,0]=4 187 B5R0.1 NCCC(N)=O AM20100576 [2,0,0,0,0,0|2,0,0]=4 188 B5R0.1 NCCC(N)=O AMY6958 [2,0,0,0,0,0|2,0,0]=4 189 B5R0.1 O=C(Cl)CCBr AM90184 [2,0,0,0,0,0|2,0,0]=4 190 B5R0.1 O=C(O)CCBr AM20100434 [2,0,0,0,0,0|2,0,0]=4 191 B5R0.1 O=C(O)CCF AM803932 [2,0,0,0,0,0|2,0,0]=4 192 B5R0.1 O=C(O)CCO AM85796 [2,0,0,0,0,0|2,0,0]=4 193 B5R0.1 O=C(O)CCS AMY27767 [2,0,0,0,0,0|2,0,0]=4 194 B5R0.1 O=C(O)\C=C/I AMY22685 [2,0,0,0,0,0|2,0,0]=4 195 B5R0.1 O=C(O)\C=C\I AM806037 [2,0,0,0,0,0|2,0,0]=4 196 B5R0.2 C=CCCCBr AM20080066 [2,0,0,0,0,0|1,0,1]=4 197 B5R0.2 C=CCCCO AMY41353 [2,0,0,0,0,0|1,0,1]=4 198 B5R0.2 CCCCCC AMY22305 [2,0,0,0,0,0|0,0,2]=4 199 B5R0.2 CCCNCC AMY13343 [2,0,0,0,0,0|1,0,1]=4 200 B5R0.2 CCO\C=C/Br AM806384 [2,0,0,0,0,0|2,0,0]=4 201 B7R0.2 CCC(=O)CC(=O)O AM85448 [1,1,0,0,0,0|1,0,1]=4 202 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [1,1,0,0,0,0|1,0,1]=4 203 B7R0.2 CCC(=O)CC(C)=O AMY2701 [1,1,0,0,0,0|0,0,1]=3 204 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [1,1,0,0,0,0|2,0,0]=4 205 B7R0.2 CC[C@H](O)CC(=O)O AM85451 [1,1,0,0,0,0|1,0,1]=4 206 B7R0.2 COC(=O)\C=C(\C)F AMY36917 [1,1,0,0,0,0|2,0,0]=4 207 B7R0.2 COC(=O)\C=C(\C)N AM20080319 [1,1,0,0,0,0|2,0,0]=4 208 B7R0.3 C=CC(=O)NCCC AMY39214 [1,1,0,0,0,0|1,0,1]=4 209 B7R0.3 CCCCC(=O)NN AMY3964 [1,1,0,0,0,0|1,0,1]=4 210 B7R0.3 CCCOC(=O)CC AMY21939 [1,1,0,0,0,0|1,0,0]=3 211 B7R0.3 CNCCC(=O)OC AMY4326 [1,1,0,0,0,0|1,0,1]=4 212 B7R0.3 COC(=O)CCCN AM803145 [1,1,0,0,0,0|1,0,1]=4 213 B7R0.3 COC(=O)CCCS AMY40461 [1,1,0,0,0,0|1,0,1]=4 214 B7R0.3 COC(=O)\C=C\C#N AMY6967 [1,1,0,0,0,0|1,0,1]=4 215 B7R0.3 COC(=O)\C=C\CBr AMY14793 [1,1,0,0,0,0|1,0,0]=3 216 B7R0.3 CO\C=C\C(=O)OC AMY18381 [1,1,0,0,0,0|1,0,0]=3 217 B7R0.5 CCCC(=O)C(=O)O AMY6081 [1,1,0,0,0,0|1,0,0]=3 218 B7R0.5 CCC[C@H](N)C(=O)O AM20090147 [1,1,0,0,0,0|1,0,1]=4 219 B7R0.5 CCC[C@H](N)C(=O)O AM20100599 [1,1,0,0,0,0|1,0,1]=4 220 B7R0.5 CCC[C@H](N)C(=O)O AM20100742 [1,1,0,0,0,0|1,0,1]=4 221 B7R0.5 CCOC(=O)C(C)=O AMY40824 [1,1,0,0,0,0|1,0,0]=3 222 B7R0.5 CCOC(=O)C(N)=O AM20100509 [1,1,0,0,0,0|2,0,0]=4 223 B7R0.6 CC(=O)CCC(C)=O AMY25528 [1,1,0,0,0,0|0,0,2]=4 224 B7R0.6 CC(=O)CNC(C)=O AMY32031 [1,1,0,0,0,0|1,0,1]=4 225 B7R0.6 CC(=O)\C=C\N(C)C AMY31395 [1,1,0,0,0,0|1,0,0]=3 226 B7R0.6 CC(C)C=C[N+](=O)[O-] AM806526 [1,1,0,0,0,0|2,0,0]=4 227 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [1,1,0,0,0,0|1,0,1]=4 228 B7R0.8 CCCOS(C)(=O)=O AMY3885 [1,1,0,0,0,0|2,0,0]=4 229 B7R0.7 CCCC(=O)CCC AMY3807 [1,1,0,0,0,0|0,0,2]=4 230 B7R0.7 CCOC(=O)CC=O AMY18659 [1,1,0,0,0,0|1,0,1]=4 231 B7R0.7 CCOC(=O)\C=C/N AM87196 [1,1,0,0,0,0|2,0,0]=4 232 B7R0.7 CCOC(=O)\C=C\I AM805822 [1,1,0,0,0,0|2,0,0]=4 233 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [1,1,0,0,0,0|1,0,1]=4 234 B9R0.4 C=CCC\C(C)=C/C(=O)O AMY14986 [0,2,0,0,0,0|1,0,1]=4 235 B9R0.4 CC(=O)CC(=O)CCC#N AMY9073 [0,2,0,0,0,0|0,0,2]=4 236 B9R0.6 CCOC(=O)[C@@H](Br)C(C)=O AM87094 [0,2,0,0,0,0|1,0,1]=4 237 B9R0.6 CCOC(=O)[C@@H](C)C(C)=O AM20100481 [0,2,0,0,0,0|1,0,1]=4 238 B9R0.6 CCOC(=O)[C@@H](Cl)C(C)=O AMY40194 [0,2,0,0,0,0|1,0,1]=4 239 B9R0.6 CCOC(=O)[C@@H](F)C(C)=O AM84482 [0,2,0,0,0,0|1,0,1]=4 240 B9R0.6 CCOC(=O)[C@@H](N)C(C)=O AM9786 [0,2,0,0,0,0|1,0,1]=4 241 B9R0.34 CCOC(=O)CC(=O)CBr AM807438 [0,2,0,0,0,0|1,0,1]=4 242 B9R0.34 CCOC(=O)CC(=O)NC AM85887 [0,2,0,0,0,0|1,0,1]=4 243 B9R0.34 COCC(=O)CC(=O)OC AMY38262 [0,2,0,0,0,0|1,0,1]=4 244 B9R0.1 CC(C)=CCC[C@H](C)C=O AMY25518 [0,2,0,0,0,0|1,0,1]=4 245 B9R0.5 CCO\C=C\C(=O)OCC AMY9319 [0,2,0,0,0,0|1,0,0]=3 246 B9R0.5 CCO\N=C\C(=O)OCC AMY13649 [0,2,0,0,0,0|2,0,0]=4 247 B9R0.8 CCCC[C@H](Br)C(=O)OC AMY21797 [0,2,0,0,0,0|0,0,2]=4 248 B9R0.8 CCCC[C@H](N)C(=O)OC AM82593 [0,2,0,0,0,0|0,0,2]=4 249 B9R0.24 COC(=O)\C=C/C(=O)OC AMY4058 [0,2,0,0,0,0|1,0,1]=4 250 B9R0.46 COC(=O)CCCCCBr AMY17985 [0,2,0,0,0,0|0,0,2]=4 251 B9R0.46 COC(=O)CCCCCN AM20090125 [0,2,0,0,0,0|0,0,2]=4 252 B9R0.47 C=C(C)C(=O)NCCCN AM807272 [0,2,0,0,0,0|2,0,0]=4 253 B9R0.47 C=C(C)C(=O)OCCCC AMY4150 [0,2,0,0,0,0|1,0,1]=4 254 B9R0.47 C=C(C)C(=O)OCCCO AMY18806 [0,2,0,0,0,0|2,0,0]=4 255 B9R0.2 CC(=O)OCCOCCO AMY28818 [0,2,0,0,0,0|1,0,1]=4 256 B9R0.2 CC\C=C\CCOC(C)=O AM806731 [0,2,0,0,0,0|0,0,2]=4 257 B9R0.48 CCOC(=O)CNC(C)=O AM20090112 [0,2,0,0,0,0|1,0,1]=4 258 B7R1.2 CC1=CC=C(C)O1 AM81813 [1,0,0,1,0,0|0,0,2]=4 259 B7R1.2 CC1=NN(C)C=C1 AM20100648 [1,0,0,1,0,0|2,0,0]=4 260 B7R1.2 CN1C=CC(=O)N1 AMY281 [1,0,0,1,0,0|2,0,0]=4 261 B7R1.2 CN1CCC(=O)C1 AM20100632 [1,0,0,1,0,0|1,0,1]=4 262 B7R1.2 CN1CCC(=O)C1 AMY25051 [1,0,0,1,0,0|1,0,1]=4 263 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [1,0,0,1,0,0|1,0,1]=4 264 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [1,0,0,1,0,0|1,0,0]=3 265 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [1,0,0,1,0,0|0,0,1]=3 266 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [1,0,0,1,0,0|1,0,1]=4 267 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [1,0,0,1,0,0|1,0,0]=3 268 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [1,0,0,1,0,0|2,0,0]=4 269 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [1,0,0,1,0,0|2,0,0]=4 270 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [1,0,0,1,0,0|2,0,0]=4 271 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [1,0,0,1,0,0|2,0,0]=4 272 B7R1.2 O=C1C=C[C@@H](O)C1 AMY1807 [1,0,0,1,0,0|1,0,0]=3 273 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [1,0,0,1,0,0|1,0,1]=4 274 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [1,0,0,1,0,0|2,0,0]=4 275 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [1,0,0,1,0,0|2,0,0]=4 276 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [1,0,0,1,0,0|2,0,0]=4 277 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [1,0,0,1,0,0|2,0,0]=4 278 B7R1.3 BrC1=CCCCC1 AMY38285 [1,0,0,1,0,0|1,0,0]=3 279 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [1,0,0,1,0,0|1,0,1]=4 280 B7R1.3 C=C1CCCCC1 AMY736 [1,0,0,1,0,0|1,0,1]=4 281 B7R1.3 CC1=CCNCC1 AMY33784 [1,0,0,1,0,0|2,0,0]=4 282 B7R1.3 CC1=CCOCC1 AMY5953 [1,0,0,1,0,0|2,0,0]=4 283 B7R1.3 CC1=COCCC1 AMY6007 [1,0,0,1,0,0|2,0,0]=4 284 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [1,0,0,1,0,0|0,0,2]=4 285 B7R1.3 ClC1=CCCCC1 AM85974 [1,0,0,1,0,0|1,0,0]=3 286 B7R1.3 O=C1C=CCCN1 AMY9701 [1,0,0,1,0,0|1,0,0]=3 287 B7R1.3 O=C1C=CCOC1 AMY23659 [1,0,0,1,0,0|1,0,0]=3 288 B7R1.3 O=C1CCCCN1 AM20100626 [1,0,0,1,0,0|1,0,0]=3 289 B7R1.3 O=C1CCCNC1 AM20100504 [1,0,0,1,0,0|1,0,1]=4 290 B7R1.3 O=C1CCCNC1 AM81341 [1,0,0,1,0,0|1,0,1]=4 291 B7R1.3 O=C1CCCOC1 AM20090251 [1,0,0,1,0,0|1,0,1]=4 292 B7R1.3 O=C1CCCSC1 AM20090115 [1,0,0,1,0,0|1,0,1]=4 293 B7R1.3 O=C1CCNCC1 AM100807 [1,0,0,1,0,0|1,0,1]=4 294 B7R1.3 O=C1CCNCC1 AM20100060 [1,0,0,1,0,0|1,0,1]=4 295 B7R1.3 O=C1CCNCC1 AM803879 [1,0,0,1,0,0|1,0,1]=4 296 B7R1.3 O=C1CCOCC1 AM20090400 [1,0,0,1,0,0|1,0,1]=4 297 B7R1.3 O=C1CCSCC1 AM20080026 [1,0,0,1,0,0|1,0,1]=4 298 B7R1.3 O=C1CNCCN1 AM20100386 [1,0,0,1,0,0|2,0,0]=4 299 B7R1.3 O=C1CNCCO1 AM62713 [1,0,0,1,0,0|2,0,0]=4 300 B7R1.3 O=C1COCCN1 AM20080044 [1,0,0,1,0,0|2,0,0]=4 301 B7R1.3 O=C1CSCCN1 AMY10805 [1,0,0,1,0,0|2,0,0]=4 302 B7R1.3 O=C1NCCCN1 AM90187 [1,0,0,1,0,0|2,0,0]=4 303 B7R1.3 O=C1NCCCO1 AMY19041 [1,0,0,1,0,0|2,0,0]=4 304 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [1,0,0,1,0,0|0,0,2]=4 305 B7R1.10 O=C1CC(CBr)C1 AM85778 [1,0,0,1,0,0|1,0,1]=4 306 B7R1.10 O=C1CC(CF)C1 AM84266 [1,0,0,1,0,0|1,0,1]=4 307 B7R1.10 O=C1CC(CO)C1 AM20070600 [1,0,0,1,0,0|1,0,1]=4 308 B7R1.12 CC1CC1C(=O)O AM803649 [1,0,0,1,0,0|1,0,1]=4 309 B7R1.12 CC1CC1C(N)=O AMY5644 [1,0,0,1,0,0|1,0,1]=4 310 B7R1.12 C[C@@H]1C[C@H]1C(=O)O AMY35644 [1,0,0,1,0,0|1,0,1]=4 311 B7R1.18 NC(=O)C1CCC1 AMY32785 [1,0,0,1,0,0|1,0,1]=4 312 B7R1.18 O=C(O)C1CCC1 AM62800 [1,0,0,1,0,0|1,0,1]=4 313 B7R1.20 CC(=O)CC1CC1 AM20100099 [1,0,0,1,0,0|0,0,1]=3 314 B7R1.20 O=C(O)CC1CC1 AM20100289 [1,0,0,1,0,0|1,0,1]=4 315 B7R1.1 CCC1=CC=CS1 AM20110253 [1,0,0,1,0,0|0,1,1]=4 316 B7R1.1 CCN1C=CC=N1 AM20090357 [1,0,0,1,0,0|2,0,0]=4 317 B7R1.1 O=CC1=CCC=C1 AMY14685 [1,0,0,1,0,0|0,0,2]=4 318 B7R1.1 O=CC1=CCCC1 AMY30885 [1,0,0,1,0,0|0,0,0]=2 319 B7R1.1 O=CC1CCCC1 AM83284 [1,0,0,1,0,0|0,0,2]=4 320 B7R1.1 O=CN1CCCC1 AMY24174 [1,0,0,1,0,0|1,0,1]=4 321 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [1,0,0,1,0,0|1,0,1]=4 322 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [1,0,0,1,0,0|1,0,1]=4 323 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [1,0,0,1,0,0|1,0,1]=4 324 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [1,0,0,1,0,0|1,0,1]=4 325 B7R1.1 OCC1CC=CC1 AM20090293 [1,0,0,1,0,0|1,0,1]=4 326 B7R1.4 CC1=CC=CN1C AMY19099 [1,0,0,1,0,0|1,0,1]=4 327 B7R1.4 CC1=CC=NN1C AMY18830 [1,0,0,1,0,0|2,0,0]=4 328 B7R1.4 CN1NC=CC1=O AMY11909 [1,0,0,1,0,0|2,0,0]=4 329 B7R1.4 CN1SC=CC1=O AM84857 [1,0,0,1,0,0|2,0,0]=4 330 B7R1.4 CN1SC=CC1=O AMY38474 [1,0,0,1,0,0|2,0,0]=4 331 B7R1.4 C[C@H]1CCCC1=O AM84338 [1,0,0,1,0,0|0,0,2]=4 332 B7R1.4 C[C@H]1CCOC1=O AM20090007 [1,0,0,1,0,0|1,0,1]=4 333 B7R1.6 O=CC=C1COC1 AMY32069 [1,0,0,1,0,0|1,0,0]=3 334 B9R1.7 CC1=CC=C(CCO)O1 AMY16284 [0,1,0,1,0,0|0,0,2]=4 335 B9R1.7 CC1=NC=C(CCO)S1 AMY16331 [0,1,0,1,0,0|1,1,0]=4 336 B9R1.7 CC1=NNC(CCN)=C1 AMY15048 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.7 CCCC1=CC(N)=NO1 AM100949 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.7 CCCC1=CSC(N)=N1 AMY24853 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.7 CCCC1=NOC(N)=C1 AM806491 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.7 CCCN1C=CC(N)=N1 AMY33141 [0,1,0,1,0,0|2,0,0]=4 341 B9R1.7 CCC[C@H]1COC(=O)C1 AMY16477 [0,1,0,1,0,0|0,0,2]=4 342 B9R1.7 CCC[N+]1=CN(C)C=C1 AMY23169 [0,1,0,1,0,0|2,0,0]=4 343 B9R1.7 CCNC1=CC(C)=NN1 AM90788 [0,1,0,1,0,0|2,0,0]=4 344 B9R1.7 CCNC1=NOC(C)=C1 AM100953 [0,1,0,1,0,0|1,0,1]=4 345 B9R1.7 CNCC1=CSC(C)=N1 AM100247 [0,1,0,1,0,0|2,0,0]=4 346 B9R1.7 CNCC1=NC(C)=CS1 AMY37767 [0,1,0,1,0,0|2,0,0]=4 347 B9R1.22 CCN1N=C(C)C=C1N AM9888 [0,1,0,1,0,0|2,0,0]=4 348 B9R1.34 CC1CC(=O)CC(=O)C1 AMY3042 [0,1,0,1,0,0|0,0,1]=3 349 B9R1.34 CC1CC(=O)OC(=O)C1 AMY3983 [0,1,0,1,0,0|1,0,0]=3 350 B9R1.41 CC(=O)C1=C(C)N=CO1 AM81168 [0,1,0,1,0,0|1,0,1]=4 351 B9R1.41 CC(=O)C1=CC=CN1C AMY23202 [0,1,0,1,0,0|0,0,2]=4 352 B9R1.41 CC(=O)C1=CC=NN1C AM803189 [0,1,0,1,0,0|1,0,1]=4 353 B9R1.41 CC(=O)C1=CNC=C1C AM20080563 [0,1,0,1,0,0|0,0,2]=4 354 B9R1.41 CC(=O)C1=CNN=C1C AM806502 [0,1,0,1,0,0|1,0,1]=4 355 B9R1.41 CC(=O)C1=NC=CN1C AM101361 [0,1,0,1,0,0|1,0,1]=4 356 B9R1.41 CC(=O)C1=NC=NN1C AM20080012 [0,1,0,1,0,0|2,0,0]=4 357 B9R1.48 O=C1CCCCC(=O)C1 AM85496 [0,1,0,1,0,0|0,0,1]=3 358 B9R1.48 O=C1CCCCC(=O)O1 AMY41401 [0,1,0,1,0,0|1,0,0]=3 359 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [0,1,0,1,0,0|0,0,2]=4 360 B9R1.66 CC1(C)CCNC(=O)C1 AM90109 [0,1,0,1,0,0|1,0,1]=4 361 B9R1.66 C[C@]1(O)CCOC(=O)C1 AMY10735 [0,1,0,1,0,0|1,0,1]=4 362 B9R1.75 CCOC(=O)C=C1CC1 AMY37969 [0,1,0,1,0,0|2,0,0]=4 363 B9R1.137 CC(=O)CC(=O)C1CC1 AM20090193 [0,1,0,1,0,0|0,0,1]=3 364 B9R1.1 CCC1=CC=C(C)C=C1 AM20040885 [0,1,0,1,0,0|1,0,1]=4 365 B9R1.1 CCC1=CN=C(C)C=C1 AMY21865 [0,1,0,1,0,0|1,0,1]=4 366 B9R1.2 CCC1=NC(C)=CC=C1 AMY2883 [0,1,0,1,0,0|1,0,1]=4 367 B9R1.2 NC[C@H]1CCNC(=O)C1 AM803060 [0,1,0,1,0,0|1,0,1]=4 368 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [0,1,0,1,0,0|0,0,2]=4 369 B9R1.5 CN1CCCNCC1=O AM20100475 [0,1,0,1,0,0|1,0,1]=4 370 B9R1.5 CN1CCCNCC1=O AMY15722 [0,1,0,1,0,0|1,0,1]=4 371 B9R1.5 N[C@@H]1CCCCNC1=O AMY3925 [0,1,0,1,0,0|1,0,1]=4 372 B9R1.5 N[C@H]1CCCCNC1=O AM20090060 [0,1,0,1,0,0|1,0,1]=4 373 B9R1.5 N[C@H]1CCCCNC1=O AM803517 [0,1,0,1,0,0|1,0,1]=4 374 B9R1.11 COC(=O)C1=CCCC1 AM20090313 [0,1,0,1,0,0|0,0,0]=2 375 B9R1.11 COC(=O)C1CCCC1 AM803935 [0,1,0,1,0,0|0,0,2]=4 376 B9R1.11 COC(=O)[C@@H]1CCCN1 AM20090186 [0,1,0,1,0,0|1,0,1]=4 377 B9R1.11 COC(=O)[C@@H]1CCCN1 AM803993 [0,1,0,1,0,0|1,0,1]=4 378 B9R1.11 COC(=O)[C@@H]1CCCN1 AM82197 [0,1,0,1,0,0|1,0,1]=4 379 B9R1.11 NCC(=O)N1CCCC1 AMY21509 [0,1,0,1,0,0|1,0,1]=4 380 B9R1.11 O=C(CCl)C1CCCC1 AMY7275 [0,1,0,1,0,0|0,0,2]=4 381 B9R1.11 O=C(CCl)N1CCCC1 AM803472 [0,1,0,1,0,0|1,0,1]=4 382 B9R1.21 CCC1=CC=C(CC)S1 AMY22850 [0,1,0,1,0,0|0,1,1]=4 383 B9R1.21 CCN1C=CC(C=O)=N1 AM20120365 [0,1,0,1,0,0|2,0,0]=4 384 B9R1.21 CCN1C=CC(CN)=N1 AM20120379 [0,1,0,1,0,0|2,0,0]=4 385 B9R1.50 O=C1CCCCCCC1 AMY3996 [0,1,0,1,0,0|0,0,2]=4 386 B9R1.50 O=C1CCCCCCN1 AM20100621 [0,1,0,1,0,0|0,0,2]=4 387 B9R1.79 COC(=O)C=C1COC1 AM20020005 [0,1,0,1,0,0|1,0,0]=3 388 B9R1.79 COC(=O)C=C1CSC1 AMY32169 [0,1,0,1,0,0|1,0,0]=3 389 B9R1.6 CC(=O)C1CCCCC1 AM20070516 [0,1,0,1,0,0|0,0,2]=4 390 B9R1.6 CC(=O)C1CCNCC1 AM20090433 [0,1,0,1,0,0|0,0,2]=4 391 B9R1.6 CC(=O)C1CCNCC1 AMY40616 [0,1,0,1,0,0|0,0,2]=4 392 B9R1.6 CC(=O)C1CCOCC1 AM803183 [0,1,0,1,0,0|0,0,2]=4 393 B9R1.6 CC(=O)N1CCNCC1 AM20080291 [0,1,0,1,0,0|1,0,1]=4 394 B9R1.6 CC(=O)N1CCOCC1 AMY10034 [0,1,0,1,0,0|1,0,1]=4 395 B9R1.6 CC(=O)[C@@H]1CCCCN1 AM20120390 [0,1,0,1,0,0|0,0,2]=4 396 B9R1.6 CC(=O)[C@H]1CCCNC1 AM20100792 [0,1,0,1,0,0|0,0,2]=4 397 B9R1.6 CC(C)=C1CCOCC1 AMY6092 [0,1,0,1,0,0|1,0,1]=4 398 B9R1.6 O=C(O)C1=CCCCC1 AMY12562 [0,1,0,1,0,0|1,0,0]=3 399 B9R1.6 O=C(O)C1=CCCCO1 AMY25035 [0,1,0,1,0,0|1,0,0]=3 400 B9R1.6 O=C(O)C1=CCCNC1 AMY32578 [0,1,0,1,0,0|1,0,0]=3 401 B9R1.6 O=C(O)C1=CCNCC1 AMY32016 [0,1,0,1,0,0|1,0,0]=3 402 B9R1.23 CCN1C=C(Br)C(C)=N1 AMY33066 [0,1,0,1,0,0|2,0,0]=4 403 B9R1.23 CCN1C=C(N)C(C)=N1 AM20130010 [0,1,0,1,0,0|2,0,0]=4 404 B9R1.23 CCN1C=C(N)C(C)=N1 AM20130012 [0,1,0,1,0,0|2,0,0]=4 405 B9R1.35 CC(=O)C1=CN(C)N=C1 AM20100006 [0,1,0,1,0,0|2,0,0]=4 406 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM95037 [0,1,0,1,0,0|1,0,1]=4 407 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM96640 [0,1,0,1,0,0|1,0,1]=4 408 B9R1.35 CC(=O)N1CC[C@H](Br)C1 AM96910 [0,1,0,1,0,0|1,0,1]=4 409 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM91958 [0,1,0,1,0,0|1,0,1]=4 410 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM95359 [0,1,0,1,0,0|1,0,1]=4 411 B9R1.35 CC(=O)N1CC[C@H](Cl)C1 AM96637 [0,1,0,1,0,0|1,0,1]=4 412 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM93701 [0,1,0,1,0,0|1,0,1]=4 413 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM96019 [0,1,0,1,0,0|1,0,1]=4 414 B9R1.35 CC(=O)N1CC[C@H](I)C1 AM96646 [0,1,0,1,0,0|1,0,1]=4 415 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM101330 [0,1,0,1,0,0|1,0,1]=4 416 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM90401 [0,1,0,1,0,0|1,0,1]=4 417 B9R1.35 CC(=O)N1CC[C@H](N)C1 AM90424 [0,1,0,1,0,0|1,0,1]=4 418 B9R1.35 CC(=O)N1CC[C@H](O)C1 AM101587 [0,1,0,1,0,0|1,0,1]=4 419 B9R1.35 CC(=O)N1CC[C@H](O)C1 AMY20010 [0,1,0,1,0,0|1,0,1]=4 420 B9R1.35 O=C1C=C(C(=O)O)CC1 AMY36569 [0,1,0,1,0,0|1,0,1]=4 421 B9R1.69 CC1CC(=O)CCC1O AM806654 [0,1,0,1,0,0|0,0,2]=4 422 B9R2.39 O=C1CC2CCC1C2 AMY10402 [0,0,0,2,0,0|0,0,2]=4 423 B9R2.7 O=C1CC2CC=CC12 AMY16601 [0,0,0,2,0,0|0,0,2]=4 424 B9R2.138 O=C1CC2(CCC2)C1 AMY34246 [0,0,0,2,0,0|0,0,2]=4 425 B9R2.138 O=C1CC2(CCC2)N1 AM100896 [0,0,0,2,0,0|1,0,1]=4