0 B6R0.6 BrCCCCCBr AMY11214 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.6 C=CCCCCBr AM84859 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.6 C=CCCCCO AM20100796 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.6 C=CCNCC=C AMY22157 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.6 C=CCNCC=C AMY25549 [0,0,0,0,0,0|3,0,1]=4 5 B6R0.6 C=COCCCN AMY3063 [0,0,0,0,0,0|4,0,0]=4 6 B6R0.6 C=COCCON AMY3312 [0,0,0,0,0,0|3,1,0]=4 7 B6R0.6 CCCCCCC AMY22304 [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 CCCCCCN AMY21942 [0,0,0,0,0,0|2,0,1]=3 9 B6R0.6 CCCCNCC AMY3985 [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CCCCON=O AMY4016 [0,0,0,0,0,0|3,0,0]=3 11 B6R0.6 CCOCCC#N AMY40959 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.6 CCOCCCN AMY21920 [0,0,0,0,0,0|3,0,1]=4 13 B6R0.6 CCOCCCO AM20080058 [0,0,0,0,0,0|2,0,2]=4 14 B6R0.6 COCCCCBr AMY9376 [0,0,0,0,0,0|1,1,1]=3 15 B6R0.6 COCCCCO AM20080057 [0,0,0,0,0,0|0,1,2]=3 16 B6R0.6 C\C=C\CCCO AMY2616 [0,0,0,0,0,0|1,0,3]=4 17 B6R0.6 FCCCCCBr AM20100088 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 N#CCCCCCl AM20100537 [0,0,0,0,0,0|3,0,1]=4 19 B6R0.6 NCCCCCN AM61576 [0,0,0,0,0,0|3,0,1]=4 20 B6R0.6 O=CCCCC=O AMY3308 [0,0,0,0,0,0|2,0,0]=2 21 B6R0.6 O=CCCCCCl AMY772 [0,0,0,0,0,0|2,0,0]=2 22 B6R0.6 OCCCCCBr AM20090543 [0,0,0,0,0,0|2,0,2]=4 23 B5R0.2 BrCCCCBr AM20080049 [1,0,0,0,0,0|2,0,1]=4 24 B5R0.2 C#CCCCC AMY1242 [1,0,0,0,0,0|1,0,1]=3 25 B5R0.2 C=CCCC=C AMY18716 [1,0,0,0,0,0|1,0,2]=4 26 B5R0.2 C=CCCC=C AMY19739 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.2 C=CCCCBr AM20080066 [1,0,0,0,0,0|2,0,0]=3 28 B5R0.2 C=CCCCO AMY41353 [1,0,0,0,0,0|1,1,0]=3 29 B5R0.2 C=CCNC=O AMY24779 [1,0,0,0,0,0|1,0,2]=4 30 B5R0.2 CCCCCBr AMY9378 [1,0,0,0,0,0|1,0,1]=3 31 B5R0.2 CCCCCC AMY22305 [1,0,0,0,0,0|1,0,1]=3 32 B5R0.2 CCCCCN AMY21878 [1,0,0,0,0,0|1,0,1]=3 33 B5R0.2 CCCCCS AMY19243 [1,0,0,0,0,0|0,1,1]=3 34 B5R0.2 CCCCNN AMY202003284 [1,0,0,0,0,0|2,0,0]=3 35 B5R0.2 CCCNCC AMY13343 [1,0,0,0,0,0|2,0,1]=4 36 B5R0.2 CCO\C=C/Br AM806384 [1,0,0,0,0,0|2,0,1]=4 37 B5R0.2 CNCCCN AM20100546 [1,0,0,0,0,0|2,0,0]=3 38 B5R0.2 CNCCNC AM86300 [1,0,0,0,0,0|2,0,1]=4 39 B5R0.2 COCCC#N AMY40960 [1,0,0,0,0,0|1,1,1]=4 40 B5R0.2 COCCCBr AM20090592 [1,0,0,0,0,0|1,1,0]=3 41 B5R0.2 COCCCCl AMY25654 [1,0,0,0,0,0|1,1,0]=3 42 B5R0.2 COCCCN AMY21871 [1,0,0,0,0,0|1,1,0]=3 43 B5R0.2 COCCCN AMY38449 [1,0,0,0,0,0|1,1,0]=3 44 B5R0.2 COCCCO AM20080231 [1,0,0,0,0,0|0,1,1]=3 45 B5R0.2 COCCNN AM803665 [1,0,0,0,0,0|2,1,0]=4 46 B5R0.2 COCCNN AMY202003278 [1,0,0,0,0,0|2,1,0]=4 47 B5R0.2 COCCOC AMY25530 [1,0,0,0,0,0|1,1,1]=4 48 B5R0.2 COCCON AMY27642 [1,0,0,0,0,0|2,1,0]=4 49 B5R0.2 CSCCCCl AMY744 [1,0,0,0,0,0|1,0,0]=2 50 B5R0.2 ClCCCCI AMY2538 [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 N#CCCC=O AMY9205 [1,0,0,0,0,0|1,0,1]=3 52 B5R0.2 N#CCCCBr AMY10438 [1,0,0,0,0,0|2,0,1]=4 53 B5R0.2 N#CCCCCl AMY40893 [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 NCCCCCl AMY15236 [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 NCCCCN AM20090504 [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 NCCCCO AMY17788 [1,0,0,0,0,0|1,0,2]=4 57 B5R0.2 O=C=NCCCl AMY23213 [1,0,0,0,0,0|2,0,1]=4 58 B5R0.2 O=CCCC=O AMY18777 [1,0,0,0,0,0|0,1,1]=3 59 B7R0.1 BrCCCCCCBr AMY11215 [0,1,0,0,0,0|2,0,1]=4 60 B7R0.1 C#CCCCCCC AMY25742 [0,1,0,0,0,0|2,0,1]=4 61 B7R0.1 C=CCCCCC=C AMY22303 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.1 C=CCCCCC=O AMY2455 [0,1,0,0,0,0|1,0,1]=3 63 B7R0.1 C=CCCCCCCl AM85971 [0,1,0,0,0,0|2,0,0]=3 64 B7R0.1 C=CCCCCCO AMY7500 [0,1,0,0,0,0|2,0,0]=3 65 B7R0.1 C=CCCCCNC AMY41147 [0,1,0,0,0,0|2,0,0]=3 66 B7R0.1 CCCCCON=O AMY3989 [0,1,0,0,0,0|2,0,0]=3 67 B7R0.1 CNCCCCNC AMY13612 [0,1,0,0,0,0|2,0,1]=4 68 B7R0.1 ClCCCCCCCl AM84762 [0,1,0,0,0,0|2,0,1]=4 69 B7R0.1 N#CCCCCCBr AMY18606 [0,1,0,0,0,0|2,0,1]=4 70 B7R0.1 NCCCCCCO AMY18359 [0,1,0,0,0,0|1,0,2]=4 71 B7R0.1 NCCCCCCS AMY32225 [0,1,0,0,0,0|1,1,1]=4 72 B7R0.1 OCCCCCCBr AMY2822 [0,1,0,0,0,0|1,0,2]=4 73 B7R0.1 OCCCCCCCl AMY25606 [0,1,0,0,0,0|1,0,2]=4 74 B7R0.3 CCCC[C@H](N)CO AMY7200 [0,1,0,0,0,0|1,0,2]=4 75 B7R0.3 CCCC[C@H](O)CO AMY11157 [0,1,0,0,0,0|1,0,2]=4 76 B7R0.3 COC(=O)CCC=O AM20080287 [0,1,0,0,0,0|0,1,1]=3 77 B7R0.3 CSCC[C@H](N)C#N AMY32618 [0,1,0,0,0,0|1,0,1]=3 78 B7R0.4 C#CCCCC(=O)O AM81010 [0,1,0,0,0,0|1,0,1]=3 79 B7R0.4 C=CCCCC(=O)O AMY759 [0,1,0,0,0,0|1,0,1]=3 80 B7R0.4 C=CCNCC(=O)O AMY22559 [0,1,0,0,0,0|2,0,1]=4 81 B7R0.4 CC(=O)CCCCCl AM90172 [0,1,0,0,0,0|2,0,0]=3 82 B7R0.4 CC(=O)NCCCN AMY36360 [0,1,0,0,0,0|3,0,0]=4 83 B7R0.4 CC(C)CCON=O AMY3781 [0,1,0,0,0,0|3,0,0]=4 84 B7R0.4 CCCCC[C@@H](C)O AMY25723 [0,1,0,0,0,0|1,0,2]=4 85 B7R0.4 CCCCC[C@H](C)N AMY3809 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.4 CCCCOC(C)=O AMY11075 [0,1,0,0,0,0|2,0,0]=3 87 B7R0.4 CCCOCC(=O)O AMY4018 [0,1,0,0,0,0|2,0,0]=3 88 B7R0.4 CN(C)CCCCN AMY31964 [0,1,0,0,0,0|2,0,1]=4 89 B7R0.4 CN(C)CCCCO AMY9644 [0,1,0,0,0,0|1,0,2]=4 90 B7R0.4 CNCCCC(=O)O AMY5046 [0,1,0,0,0,0|1,0,0]=2 91 B7R0.4 CNCCCN(C)C AMY28735 [0,1,0,0,0,0|3,0,0]=4 92 B7R0.4 CNCCOC(C)=O AMY15057 [0,1,0,0,0,0|2,0,0]=3 93 B7R0.4 COCCCN(C)C AMY1821 [0,1,0,0,0,0|2,1,0]=4 94 B7R0.4 N#CCCCC(=O)O AMY16028 [0,1,0,0,0,0|2,0,0]=3 95 B7R0.4 NC(=O)COCCCl AMY17904 [0,1,0,0,0,0|3,0,0]=4 96 B7R0.4 NCCCCC(=O)O AM82459 [0,1,0,0,0,0|2,0,0]=3 97 B7R0.4 NCCCCC(=O)O AMY39227 [0,1,0,0,0,0|2,0,0]=3 98 B7R0.4 O=C(Cl)CCCCBr AM85775 [0,1,0,0,0,0|2,0,0]=3 99 B7R0.4 O=C(Cl)CCCCCl AMY12305 [0,1,0,0,0,0|2,0,0]=3 100 B7R0.4 O=C(O)CCCCBr AM85660 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.4 O=C(O)CCCCCl AMY40897 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.4 O=C(O)COCCCl AMY28725 [0,1,0,0,0,0|3,0,0]=4 103 B7R0.4 [N-]=[N+]=NCCC(=O)O AMY21581 [0,1,0,0,0,0|3,0,0]=4 104 B7R0.7 C=CCC(O)CC=C AM85702 [0,1,0,0,0,0|2,0,1]=4 105 B7R0.7 CCCC(N)CCC AMY3864 [0,1,0,0,0,0|2,0,1]=4 106 B7R0.7 CCCC(O)CCC AMY23531 [0,1,0,0,0,0|2,0,1]=4 107 B7R0.7 CCC[C@H](N)CCO AM20100578 [0,1,0,0,0,0|1,0,2]=4 108 B7R0.7 CCOC(=O)CC=O AMY18659 [0,1,0,0,0,0|2,0,1]=4 109 B7R0.7 COCC(O)COC AMY25050 [0,1,0,0,0,0|2,1,0]=4 110 B7R1.1 BrCC1CCCC1 AMY6992 [0,0,0,1,0,0|2,0,1]=4 111 B7R1.1 BrC[C@H]1CCNC1 AM91583 [0,0,0,1,0,0|2,0,1]=4 112 B7R1.1 BrC[C@H]1CCNC1 AM94346 [0,0,0,1,0,0|2,0,1]=4 113 B7R1.1 BrC[C@H]1CCOC1 AM20080466 [0,0,0,1,0,0|1,1,1]=4 114 B7R1.1 C=CN1CCCC1 AM85776 [0,0,0,1,0,0|3,0,0]=4 115 B7R1.1 CC[C@@H]1CCCN1 AMY37667 [0,0,0,1,0,0|2,0,1]=4 116 B7R1.1 CC[C@@H]1CCNC1 AMY34410 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.1 CC[C@H]1CCCN1 AMY37675 [0,0,0,1,0,0|2,0,1]=4 118 B7R1.1 CC[C@H]1CCNC1 AMY34423 [0,0,0,1,0,0|2,0,1]=4 119 B7R1.1 CNC1CCCC1 AMY10584 [0,0,0,1,0,0|2,0,1]=4 120 B7R1.1 CN[C@@H]1CCOC1 AMY37512 [0,0,0,1,0,0|2,1,0]=4 121 B7R1.1 CN[C@H]1CCNC1 AM101327 [0,0,0,1,0,0|3,0,0]=4 122 B7R1.1 CN[C@H]1CCNC1 AM97548 [0,0,0,1,0,0|3,0,0]=4 123 B7R1.1 CN[C@H]1CCNC1 AM97549 [0,0,0,1,0,0|3,0,0]=4 124 B7R1.1 CN[C@H]1CCOC1 AM20120293 [0,0,0,1,0,0|2,1,0]=4 125 B7R1.1 CN[C@H]1CCOC1 AMY34214 [0,0,0,1,0,0|2,1,0]=4 126 B7R1.1 CN[C@H]1CCOC1 AMY37563 [0,0,0,1,0,0|2,1,0]=4 127 B7R1.1 CO[C@H]1CCNC1 AM100854 [0,0,0,1,0,0|2,1,0]=4 128 B7R1.1 CO[C@H]1CCNC1 AM20100541 [0,0,0,1,0,0|2,1,0]=4 129 B7R1.1 CO[C@H]1CCNC1 AM91096 [0,0,0,1,0,0|2,1,0]=4 130 B7R1.1 CO[C@H]1CCNC1 AM91097 [0,0,0,1,0,0|2,1,0]=4 131 B7R1.1 CO[C@H]1CCNC1 AM97517 [0,0,0,1,0,0|2,1,0]=4 132 B7R1.1 ClC[C@H]1CCNC1 AM101443 [0,0,0,1,0,0|2,0,1]=4 133 B7R1.1 ClC[C@H]1CCNC1 AM91070 [0,0,0,1,0,0|2,0,1]=4 134 B7R1.1 IC[C@H]1CCNC1 AM91584 [0,0,0,1,0,0|2,0,1]=4 135 B7R1.1 IC[C@H]1CCNC1 AM94098 [0,0,0,1,0,0|2,0,1]=4 136 B7R1.1 IC[C@H]1CCOC1 AMY33647 [0,0,0,1,0,0|1,1,1]=4 137 B7R1.1 N#C[C@@H]1CCNC1 AMY37510 [0,0,0,1,0,0|2,0,1]=4 138 B7R1.1 N#C[C@H]1CCNC1 AM20080099 [0,0,0,1,0,0|2,0,1]=4 139 B7R1.1 N#C[C@H]1CCNC1 AM20080100 [0,0,0,1,0,0|2,0,1]=4 140 B7R1.1 N#C[C@H]1CCNC1 AMY37559 [0,0,0,1,0,0|2,0,1]=4 141 B7R1.1 N#C[C@H]1CCOC1 AMY2709 [0,0,0,1,0,0|1,1,1]=4 142 B7R1.1 NCC1CCCC1 AM20100430 [0,0,0,1,0,0|2,0,1]=4 143 B7R1.1 NCC1CCCC1 AM804123 [0,0,0,1,0,0|2,0,1]=4 144 B7R1.1 NC[C@H]1CCOC1 AM20070698 [0,0,0,1,0,0|1,1,1]=4 145 B7R1.1 NC[C@H]1CCOC1 AM20070699 [0,0,0,1,0,0|1,1,1]=4 146 B7R1.1 NC[C@H]1CCOC1 AM20080467 [0,0,0,1,0,0|1,1,1]=4 147 B7R1.1 NC[C@H]1CCOC1 AM20090079 [0,0,0,1,0,0|1,1,1]=4 148 B7R1.1 NNC1CCCC1 AM803574 [0,0,0,1,0,0|3,0,0]=4 149 B7R1.1 NN[C@@H]1CCOC1 AMY37477 [0,0,0,1,0,0|2,1,0]=4 150 B7R1.1 NN[C@H]1CCOC1 AM9768 [0,0,0,1,0,0|2,1,0]=4 151 B7R1.1 NN[C@H]1CCOC1 AMY13662 [0,0,0,1,0,0|2,1,0]=4 152 B7R1.1 NOC1CCCC1 AMY27645 [0,0,0,1,0,0|3,0,0]=4 153 B7R1.1 O=CC1=CCCC1 AMY30885 [0,0,0,1,0,0|1,0,2]=4 154 B7R1.1 O=CC1CCCC1 AM83284 [0,0,0,1,0,0|1,0,0]=2 155 B7R1.1 O=CN1CCCC1 AMY24174 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.1 O=C[C@@H]1CCCN1 AM101023 [0,0,0,1,0,0|2,0,0]=3 157 B7R1.1 O=C[C@@H]1CCCN1 AM95058 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.1 O=C[C@@H]1CCCN1 AM95490 [0,0,0,1,0,0|2,0,0]=3 159 B7R1.1 O=C[C@@H]1CCCO1 AM85907 [0,0,0,1,0,0|2,0,0]=3 160 B7R1.1 O=C[C@H]1CCNC1 AM101346 [0,0,0,1,0,0|1,0,0]=2 161 B7R1.1 O=C[C@H]1CCNC1 AM94342 [0,0,0,1,0,0|1,0,0]=2 162 B7R1.1 O=C[C@H]1CCOC1 AMY5966 [0,0,0,1,0,0|0,1,0]=2 163 B7R1.1 OCC1CCCC1 AM20090579 [0,0,0,1,0,0|1,0,2]=4 164 B7R1.1 OC[C@H]1CCNC1 AM20080050 [0,0,0,1,0,0|1,0,2]=4 165 B7R1.1 OC[C@H]1CCNC1 AM20100247 [0,0,0,1,0,0|1,0,2]=4 166 B7R1.1 OC[C@H]1CCNC1 AMY20013 [0,0,0,1,0,0|1,0,2]=4 167 B7R1.1 OC[C@H]1CCOC1 AM20080182 [0,0,0,1,0,0|0,1,2]=4 168 B7R1.1 OC[C@H]1CCOC1 AM20080421 [0,0,0,1,0,0|0,1,2]=4 169 B7R1.1 OC[C@H]1CCOC1 AMY23730 [0,0,0,1,0,0|0,1,2]=4 170 B7R1.1 SC[C@H]1CCNC1 AM98788 [0,0,0,1,0,0|1,1,1]=4 171 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,0,1,0,0|2,0,1]=4 172 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [0,0,0,1,0,0|3,0,0]=4 173 B7R1.3 Br[C@H]1CCCNC1 AM100929 [0,0,0,1,0,0|2,0,1]=4 174 B7R1.3 Br[C@H]1CCCNC1 AM90468 [0,0,0,1,0,0|2,0,1]=4 175 B7R1.3 Br[C@H]1CCCOC1 AM20080215 [0,0,0,1,0,0|1,1,1]=4 176 B7R1.3 C=C1CCCCC1 AMY736 [0,0,0,1,0,0|2,0,0]=3 177 B7R1.3 C=C1CCCOC1 AMY6008 [0,0,0,1,0,0|1,1,0]=3 178 B7R1.3 C=C1CCNCC1 AMY5962 [0,0,0,1,0,0|3,0,0]=4 179 B7R1.3 C=C1CCNCC1 AMY6101 [0,0,0,1,0,0|3,0,0]=4 180 B7R1.3 C=C1CCNCC1 AMY6167 [0,0,0,1,0,0|3,0,0]=4 181 B7R1.3 C=C1CCOCC1 AMY34984 [0,0,0,1,0,0|3,0,0]=4 182 B7R1.3 CC1=COCCC1 AMY6007 [0,0,0,1,0,0|1,1,1]=4 183 B7R1.3 CN1CCCCC1 AM20100531 [0,0,0,1,0,0|2,0,1]=4 184 B7R1.3 C[C@H]1C=CCCO1 AMY6012 [0,0,0,1,0,0|3,0,0]=4 185 B7R1.3 C[C@H]1CCCCN1 AM20080042 [0,0,0,1,0,0|2,0,1]=4 186 B7R1.3 C[C@H]1CCCCN1 AM81342 [0,0,0,1,0,0|2,0,1]=4 187 B7R1.3 C[C@H]1CCCNC1 AM86032 [0,0,0,1,0,0|2,0,1]=4 188 B7R1.3 C[C@H]1CCCNC1 AM86033 [0,0,0,1,0,0|2,0,1]=4 189 B7R1.3 C[C@H]1CCCNC1 AMY5569 [0,0,0,1,0,0|2,0,1]=4 190 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,0,1,0,0|2,0,1]=4 191 B7R1.3 ClC1CCCCC1 AM90219 [0,0,0,1,0,0|2,0,1]=4 192 B7R1.3 Cl[C@H]1CCCNC1 AM100260 [0,0,0,1,0,0|2,0,1]=4 193 B7R1.3 Cl[C@H]1CCCNC1 AM100889 [0,0,0,1,0,0|2,0,1]=4 194 B7R1.3 Cl[C@H]1CCCNC1 AM95167 [0,0,0,1,0,0|2,0,1]=4 195 B7R1.3 Cl[C@H]1CCCNC1 AM96799 [0,0,0,1,0,0|2,0,1]=4 196 B7R1.3 F[C@H]1CCCNC1 AM20080116 [0,0,0,1,0,0|2,0,1]=4 197 B7R1.3 NC1CCCCC1 AM802905 [0,0,0,1,0,0|2,0,1]=4 198 B7R1.3 NN1CCCCC1 AM85332 [0,0,0,1,0,0|3,0,0]=4 199 B7R1.3 NN1CCCCC1 AM85348 [0,0,0,1,0,0|3,0,0]=4 200 B7R1.3 N[C@@H]1CCCNC1 AMY258 [0,0,0,1,0,0|2,0,1]=4 201 B7R1.3 N[C@H]1CCCNC1 AM20090507 [0,0,0,1,0,0|2,0,1]=4 202 B7R1.3 N[C@H]1CCCNC1 AM20090508 [0,0,0,1,0,0|2,0,1]=4 203 B7R1.3 N[C@H]1CCCNC1 AM81346 [0,0,0,1,0,0|2,0,1]=4 204 B7R1.3 N[C@H]1CCCNC1 AMY19293 [0,0,0,1,0,0|2,0,1]=4 205 B7R1.3 N[C@H]1CCCOC1 AM20080156 [0,0,0,1,0,0|1,1,1]=4 206 B7R1.3 N[C@H]1CCCOC1 AM20120527 [0,0,0,1,0,0|1,1,1]=4 207 B7R1.3 N[C@H]1CCCOC1 AMY34426 [0,0,0,1,0,0|1,1,1]=4 208 B7R1.3 N[C@H]1CCCOC1 AMY41756 [0,0,0,1,0,0|1,1,1]=4 209 B7R1.3 N[C@H]1CCCOC1 AMY5963 [0,0,0,1,0,0|1,1,1]=4 210 B7R1.3 O=C1C=CCCN1 AMY9701 [0,0,0,1,0,0|2,0,1]=4 211 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,0,1,0,0|0,1,2]=4 212 B7R1.3 O=C1CCCCN1 AM20100626 [0,0,0,1,0,0|2,0,0]=3 213 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,0,1,0,0|1,0,0]=2 214 B7R1.3 O=C1CCCNC1 AM81341 [0,0,0,1,0,0|1,0,0]=2 215 B7R1.3 O=C1CCCOC1 AM20090251 [0,0,0,1,0,0|0,1,0]=2 216 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,0,1,0,0|0,0,0]=1 217 B7R1.3 O=C1CCNCC1 AM100807 [0,0,0,1,0,0|2,0,0]=3 218 B7R1.3 O=C1CCNCC1 AM20100060 [0,0,0,1,0,0|2,0,0]=3 219 B7R1.3 O=C1CCNCC1 AM803879 [0,0,0,1,0,0|2,0,0]=3 220 B7R1.3 O=C1CCOCC1 AM20090400 [0,0,0,1,0,0|2,0,0]=3 221 B7R1.3 O=C1CCSCC1 AM20080026 [0,0,0,1,0,0|2,0,0]=3 222 B7R1.3 O=C1CNCCN1 AM20100386 [0,0,0,1,0,0|2,0,0]=3 223 B7R1.3 O=C1CNCCO1 AM62713 [0,0,0,1,0,0|2,0,0]=3 224 B7R1.3 O=C1COCCN1 AM20080044 [0,0,0,1,0,0|1,1,0]=3 225 B7R1.3 O=C1CSCCN1 AMY10805 [0,0,0,1,0,0|1,0,0]=2 226 B7R1.3 O=C1NCCCN1 AM90187 [0,0,0,1,0,0|3,0,0]=4 227 B7R1.3 O=C1NCCCO1 AMY19041 [0,0,0,1,0,0|3,0,0]=4 228 B7R1.3 O=S1CCOCC1 AMY42358 [0,0,0,1,0,0|3,0,0]=4 229 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,0,0,1,0,0|3,0,0]=4 230 B7R1.3 O[C@@H]1CCCOC1 AMY41582 [0,0,0,1,0,0|0,1,2]=4 231 B7R1.3 O[C@H]1CCCNC1 AM101043 [0,0,0,1,0,0|1,0,2]=4 232 B7R1.3 O[C@H]1CCCNC1 AM20090141 [0,0,0,1,0,0|1,0,2]=4 233 B7R1.3 O[C@H]1CCCNC1 AM20100189 [0,0,0,1,0,0|1,0,2]=4 234 B7R1.3 O[C@H]1CCCNC1 AM20100577 [0,0,0,1,0,0|1,0,2]=4 235 B7R1.3 O[C@H]1CCCNC1 AM20100636 [0,0,0,1,0,0|1,0,2]=4 236 B7R1.3 O[C@H]1CCCOC1 AM20090136 [0,0,0,1,0,0|0,1,2]=4 237 B7R1.3 S=C1COCCN1 AMY10049 [0,0,0,1,0,0|1,2,0]=4 238 B7R1.3 SC1CCCCC1 AMY11243 [0,0,0,1,0,0|1,1,1]=4 239 B7R1.3 S[C@H]1CCCNC1 AMY35402 [0,0,0,1,0,0|1,1,1]=4 240 B7R1.4 C=C1CCOC1=O AMY7315 [0,0,0,1,0,0|2,0,1]=4 241 B7R1.4 CN1CCCC1=O AM20110252 [0,0,0,1,0,0|1,0,0]=2 242 B7R1.4 CN1CCSC1=S AM84657 [0,0,0,1,0,0|2,1,0]=4 243 B7R1.4 CN1N=CCC1=O AMY11892 [0,0,0,1,0,0|2,0,1]=4 244 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [0,0,0,1,0,0|2,0,0]=3 245 B7R1.4 C[C@H]1CCCC1=O AM84338 [0,0,0,1,0,0|1,0,0]=2 246 B7R1.4 C[C@H]1CCOC1=O AM20090007 [0,0,0,1,0,0|2,0,0]=3 247 B7R1.4 NN1CCCC1=O AM84704 [0,0,0,1,0,0|2,0,0]=3 248 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [0,0,0,1,0,0|3,0,0]=4 249 B7R1.4 N[C@H]1CCNC1=O AM20130022 [0,0,0,1,0,0|3,0,0]=4 250 B7R1.4 N[C@H]1CCNC1=O AMY15667 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.4 N[C@H]1CCOC1=O AM20090203 [0,0,0,1,0,0|3,0,0]=4 252 B7R1.4 N[C@H]1CCOC1=O AMY21622 [0,0,0,1,0,0|3,0,0]=4 253 B7R1.4 N[C@H]1CCSC1=O AMY25724 [0,0,0,1,0,0|3,0,0]=4 254 B7R1.4 O=C1CCCC1=O AMY23435 [0,0,0,1,0,0|2,0,0]=3 255 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [0,0,0,1,0,0|2,0,0]=3 256 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [0,0,0,1,0,0|3,0,0]=4 257 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [0,0,0,1,0,0|3,0,0]=4 258 B7R1.4 O=C1NCC[C@H]1O AMY14450 [0,0,0,1,0,0|3,0,0]=4 259 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [0,0,0,1,0,0|3,0,0]=4 260 B7R1.6 COCC1CNC1 AM20120364 [0,0,0,1,0,0|2,1,0]=4 261 B7R1.6 COCC1CNC1 AMY33648 [0,0,0,1,0,0|2,1,0]=4 262 B7R1.6 N#CCC1CNC1 AMY34671 [0,0,0,1,0,0|2,0,1]=4 263 B7R1.6 NCCC1CCC1 AMY34747 [0,0,0,1,0,0|2,0,1]=4 264 B7R1.6 NCCC1COC1 AMY19670 [0,0,0,1,0,0|1,1,1]=4 265 B7R1.6 O=CC=C1COC1 AMY32069 [0,0,0,1,0,0|0,1,2]=4 266 B7R1.6 OCCC1CCC1 AM807009 [0,0,0,1,0,0|1,0,2]=4 267 B7R1.6 OCCC1COC1 AMY19718 [0,0,0,1,0,0|0,1,2]=4 268 B7R1.24 C1CNCCNC1 AM100887 [0,0,0,1,0,0|3,0,0]=4 269 B7R1.24 C1CNCCOC1 AM20090058 [0,0,0,1,0,0|2,1,0]=4 270 B4R0.2 BrCCCBr AMY25527 [2,0,0,0,0,0|2,0,0]=4 271 B4R0.2 C=CCCCl AMY11185 [2,0,0,0,0,0|1,0,1]=4 272 B4R0.2 C=CCCO AMY14291 [2,0,0,0,0,0|0,1,1]=4 273 B4R0.2 C=CCNC AMY13350 [2,0,0,0,0,0|1,0,1]=4 274 B4R0.2 C=CCOC AM20100534 [2,0,0,0,0,0|0,1,1]=4 275 B4R0.2 CCCCN AMY21914 [2,0,0,0,0,0|1,0,0]=3 276 B4R0.2 CCCNN AM9771 [2,0,0,0,0,0|2,0,0]=4 277 B4R0.2 CCNCC AMY25752 [2,0,0,0,0,0|1,0,1]=4 278 B4R0.2 CCPCC AMY11725 [2,0,0,0,0,0|1,0,1]=4 279 B4R0.2 CC\C=C\Br AMY796 [2,0,0,0,0,0|1,0,1]=4 280 B4R0.2 CNCCCl AM803928 [2,0,0,0,0,0|2,0,0]=4 281 B4R0.2 CNCCF AMY202003232 [2,0,0,0,0,0|2,0,0]=4 282 B4R0.2 CNCCO AMY32697 [2,0,0,0,0,0|1,0,1]=4 283 B4R0.2 COCCCl AMY25739 [2,0,0,0,0,0|1,1,0]=4 284 B4R0.2 COCCN AM808206 [2,0,0,0,0,0|1,1,0]=4 285 B4R0.2 CSCCCl AMY15533 [2,0,0,0,0,0|1,0,0]=3 286 B4R0.2 CSCCN AMY33509 [2,0,0,0,0,0|1,0,0]=3 287 B4R0.2 CSCCO AMY19250 [2,0,0,0,0,0|0,0,1]=3 288 B4R0.2 ClCCCBr AMY40180 [2,0,0,0,0,0|2,0,0]=4 289 B4R0.2 ClCCCCl AMY22013 [2,0,0,0,0,0|2,0,0]=4 290 B4R0.2 ClCCCI AMY25762 [2,0,0,0,0,0|2,0,0]=4 291 B4R0.2 FCCCBr AMY28674 [2,0,0,0,0,0|2,0,0]=4 292 B4R0.2 NCCCBr AM20100225 [2,0,0,0,0,0|2,0,0]=4 293 B4R0.2 NCCCN AMY21886 [2,0,0,0,0,0|2,0,0]=4 294 B4R0.2 OCCCBr AM20100533 [2,0,0,0,0,0|1,0,1]=4 295 B4R0.2 OCCCCl AMY9478 [2,0,0,0,0,0|1,0,1]=4 296 B4R0.2 OCCCF AM1014 [2,0,0,0,0,0|1,0,1]=4 297 B4R0.2 SCCCBr AM806637 [2,0,0,0,0,0|1,0,0]=3 298 B4R0.2 [Li]CCCC AMY14790 [2,0,0,0,0,0|1,0,0]=3 299 B6R0.1 CC\C=C(/C)C=O AMY2564 [1,1,0,0,0,0|0,0,2]=4 300 B6R0.4 C=CCCC(=O)Cl AMY808 [1,1,0,0,0,0|0,0,2]=4 301 B6R0.4 C=CCCC(=O)O AMY12553 [1,1,0,0,0,0|0,0,2]=4 302 B6R0.4 C=CCCC(C)=O AM84335 [1,1,0,0,0,0|0,0,2]=4 303 B6R0.4 CC(=O)NCCN AMY40665 [1,1,0,0,0,0|2,0,0]=4 304 B6R0.4 CC(C)CCCO AMY39142 [1,1,0,0,0,0|0,0,2]=4 305 B6R0.4 CC(C)CON=O AMY4012 [1,1,0,0,0,0|2,0,0]=4 306 B6R0.4 CCCCC(=O)[O-] AMY026 [1,1,0,0,0,0|0,0,0]=2 307 B6R0.4 CCCCN(C)C AMY25818 [1,1,0,0,0,0|1,0,1]=4 308 B6R0.4 CCCOC(=O)Cl AMY3779 [1,1,0,0,0,0|1,0,0]=3 309 B6R0.4 CCOCC(=O)O AMY4062 [1,1,0,0,0,0|1,0,0]=3 310 B6R0.4 CCSCC(=O)O AM20100532 [1,1,0,0,0,0|1,0,0]=3 311 B6R0.4 CN(C)CCCCl AM84336 [1,1,0,0,0,0|2,0,0]=4 312 B6R0.4 CN(C)CCCCl AM90218 [1,1,0,0,0,0|2,0,0]=4 313 B6R0.4 CNCCC(=O)O AM84855 [1,1,0,0,0,0|1,0,0]=3 314 B6R0.4 CNCCC(C)C AMY37348 [1,1,0,0,0,0|1,0,1]=4 315 B6R0.4 CNCCC(C)C AMY37370 [1,1,0,0,0,0|1,0,1]=4 316 B6R0.4 COCCC(=O)O AMY2689 [1,1,0,0,0,0|0,1,0]=3 317 B6R0.4 C[C@H](Br)CCCBr AMY2526 [1,1,0,0,0,0|1,0,1]=4 318 B6R0.4 NC(=O)OCCCl AMY19018 [1,1,0,0,0,0|2,0,0]=4 319 B6R0.4 NCCCC(=O)O AM20100372 [1,1,0,0,0,0|1,0,0]=3 320 B6R0.4 NCCCC(N)=O AMY15220 [1,1,0,0,0,0|1,0,0]=3 321 B6R0.4 O=C(Cl)CCCCl AMY25684 [1,1,0,0,0,0|1,0,0]=3 322 B6R0.4 O=C(O)CCCS AM20080221 [1,1,0,0,0,0|0,0,0]=2 323 B8R0.4 CC\C=C/CCOC=O AM806738 [0,2,0,0,0,0|1,0,1]=4 324 B8R0.6 CCCCNC(=O)CCl AM20100314 [0,2,0,0,0,0|2,0,0]=4 325 B8R0.6 CCNCCC(=O)OC AMY20543 [0,2,0,0,0,0|2,0,0]=4 326 B8R0.6 COC(=O)CCCCBr AM20120637 [0,2,0,0,0,0|2,0,0]=4 327 B8R0.7 C=CCCCCC(=O)O AMY7501 [0,2,0,0,0,0|1,0,1]=4 328 B8R0.7 CC(=O)CCCCCBr AMY24068 [0,2,0,0,0,0|1,0,0]=3 329 B8R0.7 CC(=O)OCCCC=O AM10056 [0,2,0,0,0,0|0,1,0]=3 330 B8R0.7 CCCCCCC(=O)O AMY41347 [0,2,0,0,0,0|1,0,0]=3 331 B8R0.7 NCCCCCC(=O)O AM82438 [0,2,0,0,0,0|1,0,0]=3 332 B8R0.7 NCCCCCC(=O)O AMY977 [0,2,0,0,0,0|1,0,0]=3 333 B8R0.7 NCCOCCC(=O)O AMY4548 [0,2,0,0,0,0|2,0,0]=4 334 B8R0.7 O=C(Cl)CCCCCBr AMY14557 [0,2,0,0,0,0|1,0,0]=3 335 B8R0.7 O=C(O)CCCCCBr AM20100119 [0,2,0,0,0,0|1,0,0]=3 336 B8R0.7 O=C(O)CCCCCO AM10824 [0,2,0,0,0,0|1,0,0]=3 337 B8R0.7 O=C(O)CCOCCO AMY4563 [0,2,0,0,0,0|2,0,0]=4 338 B8R0.7 O=CCCCCC(=O)O AM84276 [0,2,0,0,0,0|1,0,1]=4 339 B8R0.7 [N-]=[N+]=NCCCC(=O)O AMY21579 [0,2,0,0,0,0|2,0,0]=4 340 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO AM20100306 [0,2,0,0,0,0|2,0,0]=4 341 B8R0.3 O=CC[C@@H](O)[C@@H](O)CO AM83958 [0,2,0,0,0,0|2,0,0]=4 342 B8R0.8 C=CCC[C@@H](N)C(=O)O AM10082 [0,2,0,0,0,0|1,0,1]=4 343 B8R0.8 CCCCC(=O)C(=O)O AMY6080 [0,2,0,0,0,0|1,0,1]=4 344 B8R0.8 CCCCC(=O)C(=O)[O-] AMY38328 [0,2,0,0,0,0|1,0,1]=4 345 B8R0.8 CCCC[C@H](N)C(=O)O AM82583 [0,2,0,0,0,0|1,0,0]=3 346 B8R0.8 CCCC[C@H](N)C(=O)O AM82584 [0,2,0,0,0,0|1,0,0]=3 347 B8R0.8 CCCC[C@H](N)C(=O)O AM82585 [0,2,0,0,0,0|1,0,0]=3 348 B8R0.8 CSCC[C@H](N)C(=O)O AM20100433 [0,2,0,0,0,0|0,0,0]=2 349 B8R0.8 CSCC[C@H](N)C(=O)O AM20100552 [0,2,0,0,0,0|0,0,0]=2 350 B8R0.8 CSCC[C@H](N)C(=O)O AM81977 [0,2,0,0,0,0|0,0,0]=2 351 B8R0.8 C[Se]CC[C@H](N)C(=O)O AMY18854 [0,2,0,0,0,0|0,1,0]=3 352 B8R0.8 NCCC[C@H](N)C(=O)O AM20080016 [0,2,0,0,0,0|2,0,0]=4 353 B8R0.8 NCCC[C@H](N)C(=O)O AM20090455 [0,2,0,0,0,0|2,0,0]=4 354 B8R0.8 NCCC[C@H](N)C(=O)O AM82603 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.9 C=C[C@@H](N)CCC(=O)O AMY6474 [0,2,0,0,0,0|1,0,1]=4 356 B8R0.9 CCC(=O)CCC(=O)O AMY30226 [0,2,0,0,0,0|1,0,1]=4 357 B8R0.9 COC(=O)CCC(=O)O AM20100028 [0,2,0,0,0,0|0,1,1]=4 358 B8R0.9 COC(=O)CCC(=O)[O-] AMY4106 [0,2,0,0,0,0|0,1,1]=4 359 B8R0.21 CCCCCS(N)(=O)=O AMY35753 [0,2,0,0,0,0|2,0,0]=4 360 B8R0.28 C=C(C)CCCC(C)=O AMY15319 [0,2,0,0,0,0|1,0,0]=3 361 B8R0.28 CC(=O)CCCC(=O)[O-] AMY19481 [0,2,0,0,0,0|1,0,0]=3 362 B8R0.28 CC(=O)NCCC(=O)O AM83102 [0,2,0,0,0,0|2,0,0]=4 363 B8R0.28 CC(C)COCC(=O)O AM85004 [0,2,0,0,0,0|2,0,0]=4 364 B8R0.28 CN(C)CCCC(=O)O AMY31363 [0,2,0,0,0,0|1,0,0]=3 365 B8R0.28 NC(=O)CCCC(N)=O AMY16238 [0,2,0,0,0,0|2,0,0]=4 366 B8R0.22 CCC[C@@H](CC=O)SC AMY39512 [0,2,0,0,0,0|1,0,0]=3 367 B6R1.1 C1=CCCCC1 AMY17792 [1,0,0,1,0,0|1,0,0]=3 368 B6R1.1 C1=CCNCC1 AMY5955 [1,0,0,1,0,0|1,0,1]=4 369 B6R1.1 C1=CCOCC1 AM9907 [1,0,0,1,0,0|0,1,1]=4 370 B6R1.1 C1=CCSCC1 AMY37369 [1,0,0,1,0,0|0,0,1]=3 371 B6R1.1 C1=COCCC1 AMY39440 [1,0,0,1,0,0|0,0,2]=4 372 B6R1.1 C1=NCCCN1 AMY22014 [1,0,0,1,0,0|2,0,0]=4 373 B6R1.1 C1CCCCC1 AMY11047 [1,0,0,1,0,0|1,0,1]=4 374 B6R1.1 C1CCNCC1 AMY40816 [1,0,0,1,0,0|1,0,1]=4 375 B6R1.1 C1CCNNC1 AMY19957 [1,0,0,1,0,0|2,0,0]=4 376 B6R1.1 C1CCOCC1 AMY8873 [1,0,0,1,0,0|0,0,2]=4 377 B6R1.1 C1CCONC1 AM804032 [1,0,0,1,0,0|1,0,1]=4 378 B6R1.1 C1CCONC1 AMY42463 [1,0,0,1,0,0|1,0,1]=4 379 B6R1.1 C1CNCOC1 AMY28616 [1,0,0,1,0,0|1,0,1]=4 380 B6R1.1 C1CSCCN1 AM807014 [1,0,0,1,0,0|1,0,1]=4 381 B6R1.1 C1CSCCO1 AMY25585 [1,0,0,1,0,0|1,0,1]=4 382 B6R1.2 BrC1=CCCC1 AMY38286 [1,0,0,1,0,0|1,0,1]=4 383 B6R1.2 BrC1CCCC1 AM20080273 [1,0,0,1,0,0|1,0,1]=4 384 B6R1.2 Br[C@H]1CCNC1 AM101739 [1,0,0,1,0,0|2,0,0]=4 385 B6R1.2 Br[C@H]1CCNC1 AM101740 [1,0,0,1,0,0|2,0,0]=4 386 B6R1.2 Br[C@H]1CCNC1 AM101781 [1,0,0,1,0,0|2,0,0]=4 387 B6R1.2 Br[C@H]1CCNC1 AM91615 [1,0,0,1,0,0|2,0,0]=4 388 B6R1.2 Br[C@H]1CCNC1 AM96305 [1,0,0,1,0,0|2,0,0]=4 389 B6R1.2 Br[C@H]1CCNC1 AM96372 [1,0,0,1,0,0|2,0,0]=4 390 B6R1.2 Br[C@H]1CCOC1 AM20090126 [1,0,0,1,0,0|1,1,0]=4 391 B6R1.2 C=C1CCOC1 AMY6014 [1,0,0,1,0,0|0,1,1]=4 392 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,1,0,0|1,0,0]=3 393 B6R1.2 CC1=NCCC1 AMY886 [1,0,0,1,0,0|2,0,0]=4 394 B6R1.2 CC1=NCCS1 AMY23228 [1,0,0,1,0,0|2,0,0]=4 395 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,1,0,0|1,0,1]=4 396 B6R1.2 CN1CCCC1 AMY25542 [1,0,0,1,0,0|1,0,1]=4 397 B6R1.2 C[C@@H]1CCNC1 AMY37511 [1,0,0,1,0,0|1,0,1]=4 398 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,1,0,0|1,0,1]=4 399 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,1,0,0|1,0,1]=4 400 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,1,0,0|1,0,1]=4 401 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,1,0,0|1,0,1]=4 402 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,1,0,0|1,0,1]=4 403 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,1,0,0|0,0,2]=4 404 B6R1.2 C[C@H]1CCNC1 AM803039 [1,0,0,1,0,0|1,0,1]=4 405 B6R1.2 C[C@H]1CCNC1 AM803735 [1,0,0,1,0,0|1,0,1]=4 406 B6R1.2 C[C@H]1CCNC1 AMY37562 [1,0,0,1,0,0|1,0,1]=4 407 B6R1.2 ClC1CCCC1 AMY22306 [1,0,0,1,0,0|1,0,1]=4 408 B6R1.2 Cl[C@H]1CCNC1 AM90551 [1,0,0,1,0,0|2,0,0]=4 409 B6R1.2 Cl[C@H]1CCNC1 AM90553 [1,0,0,1,0,0|2,0,0]=4 410 B6R1.2 Cl[C@H]1CCNC1 AM90576 [1,0,0,1,0,0|2,0,0]=4 411 B6R1.2 Cl[C@H]1CCNC1 AM90577 [1,0,0,1,0,0|2,0,0]=4 412 B6R1.2 Cl[C@H]1CCNC1 AM91617 [1,0,0,1,0,0|2,0,0]=4 413 B6R1.2 Cl[C@H]1CCNC1 AM96290 [1,0,0,1,0,0|2,0,0]=4 414 B6R1.2 Cl[C@H]1CCOC1 AM100455 [1,0,0,1,0,0|1,1,0]=4 415 B6R1.2 F[C@H]1CCNC1 AM20080115 [1,0,0,1,0,0|2,0,0]=4 416 B6R1.2 F[C@H]1CCNC1 AM20080270 [1,0,0,1,0,0|2,0,0]=4 417 B6R1.2 F[C@H]1CCNC1 AM20080271 [1,0,0,1,0,0|2,0,0]=4 418 B6R1.2 F[C@H]1CCNC1 AM20090020 [1,0,0,1,0,0|2,0,0]=4 419 B6R1.2 F[C@H]1CCNC1 AMY41754 [1,0,0,1,0,0|2,0,0]=4 420 B6R1.2 IC1CCCC1 AMY3844 [1,0,0,1,0,0|1,0,1]=4 421 B6R1.2 I[C@H]1CCNC1 AM91594 [1,0,0,1,0,0|2,0,0]=4 422 B6R1.2 I[C@H]1CCNC1 AM91619 [1,0,0,1,0,0|2,0,0]=4 423 B6R1.2 I[C@H]1CCNC1 AM91621 [1,0,0,1,0,0|2,0,0]=4 424 B6R1.2 I[C@H]1CCNC1 AM92136 [1,0,0,1,0,0|2,0,0]=4 425 B6R1.2 I[C@H]1CCNC1 AM95453 [1,0,0,1,0,0|2,0,0]=4 426 B6R1.2 I[C@H]1CCNC1 AM96429 [1,0,0,1,0,0|2,0,0]=4 427 B6R1.2 I[C@H]1CCOC1 AM20080159 [1,0,0,1,0,0|1,1,0]=4 428 B6R1.2 N=C1CCCC1 AMY39966 [1,0,0,1,0,0|1,0,0]=3 429 B6R1.2 NC1=NCCS1 AMY202003298 [1,0,0,1,0,0|2,0,0]=4 430 B6R1.2 NC1CCCC1 AMY3757 [1,0,0,1,0,0|1,0,1]=4 431 B6R1.2 N[C@H]1CCNC1 AM81992 [1,0,0,1,0,0|2,0,0]=4 432 B6R1.2 N[C@H]1CCNC1 AM81993 [1,0,0,1,0,0|2,0,0]=4 433 B6R1.2 N[C@H]1CCNC1 AM85320 [1,0,0,1,0,0|2,0,0]=4 434 B6R1.2 N[C@H]1CCOC1 AM20080063 [1,0,0,1,0,0|1,1,0]=4 435 B6R1.2 N[C@H]1CCOC1 AM20120276 [1,0,0,1,0,0|1,1,0]=4 436 B6R1.2 N[C@H]1CCOC1 AM62692 [1,0,0,1,0,0|1,1,0]=4 437 B6R1.2 N[C@H]1CCOC1 AMY4352 [1,0,0,1,0,0|1,1,0]=4 438 B6R1.2 N[C@H]1CCOC1 AMY5964 [1,0,0,1,0,0|1,1,0]=4 439 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,1,0,0|0,0,2]=4 440 B6R1.2 O=C1CCCC1 AMY37126 [1,0,0,1,0,0|0,0,0]=2 441 B6R1.2 O=C1CCCN1 AMY25506 [1,0,0,1,0,0|1,0,0]=3 442 B6R1.2 O=C1CCNC1 AM20120384 [1,0,0,1,0,0|1,0,0]=3 443 B6R1.2 O=C1CCNC1 AMY6183 [1,0,0,1,0,0|1,0,0]=3 444 B6R1.2 O=C1CCNN1 AMY39277 [1,0,0,1,0,0|2,0,0]=4 445 B6R1.2 O=C1CCOC1 AM20090235 [1,0,0,1,0,0|0,1,0]=3 446 B6R1.2 O=C1CCSC1 AMY23378 [1,0,0,1,0,0|0,0,0]=2 447 B6R1.2 O=C1CNCN1 AM84594 [1,0,0,1,0,0|2,0,0]=4 448 B6R1.2 O=C1NCCN1 AM20080146 [1,0,0,1,0,0|2,0,0]=4 449 B6R1.2 O=C1NCCO1 AMY39498 [1,0,0,1,0,0|1,1,0]=4 450 B6R1.2 OC1CCCC1 AMY3616 [1,0,0,1,0,0|0,0,2]=4 451 B6R1.2 O[C@H]1CCNC1 AM20070695 [1,0,0,1,0,0|1,0,1]=4 452 B6R1.2 O[C@H]1CCNC1 AM20080166 [1,0,0,1,0,0|1,0,1]=4 453 B6R1.2 O[C@H]1CCNC1 AM20090354 [1,0,0,1,0,0|1,0,1]=4 454 B6R1.2 O[C@H]1CCNC1 AM20100082 [1,0,0,1,0,0|1,0,1]=4 455 B6R1.2 O[C@H]1CCNC1 AM90404 [1,0,0,1,0,0|1,0,1]=4 456 B6R1.2 O[C@H]1CCOC1 AM20100156 [1,0,0,1,0,0|0,1,1]=4 457 B6R1.2 O[C@H]1CCOC1 AM20110236 [1,0,0,1,0,0|0,1,1]=4 458 B6R1.2 O[C@H]1CCOC1 AM20110237 [1,0,0,1,0,0|0,1,1]=4 459 B6R1.2 O[C@H]1CCSC1 AM20090505 [1,0,0,1,0,0|0,0,1]=3 460 B6R1.2 SC1=NCCS1 AMY23225 [1,0,0,1,0,0|1,1,0]=4 461 B6R1.2 S[C@H]1CCOC1 AM101772 [1,0,0,1,0,0|0,2,0]=4 462 B6R1.3 BrCCC1CC1 AMY202003230 [1,0,0,1,0,0|1,0,1]=4 463 B6R1.3 BrCC[C@H]1CO1 AMY20094 [1,0,0,1,0,0|1,1,0]=4 464 B6R1.3 CNCC1CC1 AM803431 [1,0,0,1,0,0|1,0,1]=4 465 B6R1.3 CNCC1CC1 AMY34463 [1,0,0,1,0,0|1,0,1]=4 466 B6R1.3 COC[C@H]1CO1 AM20120337 [1,0,0,1,0,0|0,1,1]=4 467 B6R1.3 ICCC1CC1 AMY34362 [1,0,0,1,0,0|1,0,1]=4 468 B6R1.3 N#CCC1CC1 AM20100595 [1,0,0,1,0,0|1,0,1]=4 469 B6R1.3 NCCC1CC1 AMY39140 [1,0,0,1,0,0|1,0,1]=4 470 B6R1.3 NCCC1CC1 AMY4139 [1,0,0,1,0,0|1,0,1]=4 471 B6R1.3 NNCC1CC1 AM10018 [1,0,0,1,0,0|2,0,0]=4 472 B6R1.3 NNCC1CC1 AMY16104 [1,0,0,1,0,0|2,0,0]=4 473 B6R1.3 NOCC1CC1 AM90383 [1,0,0,1,0,0|2,0,0]=4 474 B6R1.3 O=CNC1CC1 AM804092 [1,0,0,1,0,0|1,0,0]=3 475 B6R1.3 OCCC1CC1 AMY3915 [1,0,0,1,0,0|0,0,2]=4 476 B6R1.6 BrCC1CCC1 AM20070598 [1,0,0,1,0,0|1,0,1]=4 477 B6R1.6 BrCC1COC1 AM807116 [1,0,0,1,0,0|1,1,0]=4 478 B6R1.6 CSC1CNC1 AM20080315 [1,0,0,1,0,0|1,0,1]=4 479 B6R1.6 ClCC1CCC1 AMY31015 [1,0,0,1,0,0|1,0,1]=4 480 B6R1.6 ClCC1COC1 AM807016 [1,0,0,1,0,0|1,1,0]=4 481 B6R1.6 ICC1CCC1 AMY34464 [1,0,0,1,0,0|1,0,1]=4 482 B6R1.6 ICC1COC1 AM807382 [1,0,0,1,0,0|1,1,0]=4 483 B6R1.6 N#CC1CCC1 AM20070614 [1,0,0,1,0,0|1,0,1]=4 484 B6R1.6 NCC1CCC1 AM20070613 [1,0,0,1,0,0|1,0,1]=4 485 B6R1.6 NCC1COC1 AM20020041 [1,0,0,1,0,0|1,1,0]=4 486 B6R1.6 NNC1CCC1 AM9769 [1,0,0,1,0,0|2,0,0]=4 487 B6R1.6 NNC1CCC1 AM9783 [1,0,0,1,0,0|2,0,0]=4 488 B6R1.6 O=CC1CCC1 AM90197 [1,0,0,1,0,0|0,0,0]=2 489 B6R1.6 O=CC1COC1 AMY38489 [1,0,0,1,0,0|0,1,0]=3 490 B6R1.6 OCC1CCC1 AM90211 [1,0,0,1,0,0|0,0,2]=4 491 B6R1.6 OCC1CNC1 AM20120333 [1,0,0,1,0,0|1,0,1]=4 492 B6R1.6 OCC1CNC1 AMY6173 [1,0,0,1,0,0|1,0,1]=4 493 B6R1.6 OCC1COC1 AM806983 [1,0,0,1,0,0|0,1,1]=4 494 B6R1.8 CC1CC1CN AM806562 [1,0,0,1,0,0|1,0,1]=4 495 B6R1.8 CC1CC1CO AM804126 [1,0,0,1,0,0|0,0,2]=4 496 B8R1.2 CSC1CCNCC1 AM20090171 [0,1,0,1,0,0|1,0,1]=4 497 B8R1.2 N#CC1CCSCC1 AMY10287 [0,1,0,1,0,0|1,0,1]=4 498 B8R1.2 NCC1CCSCC1 AMY35633 [0,1,0,1,0,0|1,0,1]=4 499 B8R1.2 O=CC1=CCCCC1 AMY18835 [0,1,0,1,0,0|1,0,1]=4 500 B8R1.2 O=CC1=CCCOC1 AM803164 [0,1,0,1,0,0|0,1,1]=4 501 B8R1.2 O=CC1CCCCC1 AM83285 [0,1,0,1,0,0|1,0,0]=3 502 B8R1.2 O=CC1CCNCC1 AM100891 [0,1,0,1,0,0|1,0,0]=3 503 B8R1.2 O=CC1CCNCC1 AM90778 [0,1,0,1,0,0|1,0,0]=3 504 B8R1.2 O=CC1CCNCC1 AM98195 [0,1,0,1,0,0|1,0,0]=3 505 B8R1.2 O=CC1CCOCC1 AM1035 [0,1,0,1,0,0|0,1,0]=3 506 B8R1.2 O=CN1CCCCC1 AMY3400 [0,1,0,1,0,0|1,0,0]=3 507 B8R1.2 O=CN1CCNCC1 AM81361 [0,1,0,1,0,0|2,0,0]=4 508 B8R1.2 O=CN1CCOCC1 AMY23275 [0,1,0,1,0,0|1,1,0]=4 509 B8R1.2 O=C[C@@H]1CCCCN1 AM100250 [0,1,0,1,0,0|1,0,0]=3 510 B8R1.2 O=C[C@@H]1CCCCN1 AM90777 [0,1,0,1,0,0|1,0,0]=3 511 B8R1.2 O=C[C@@H]1CNCCN1 AM81379 [0,1,0,1,0,0|1,0,0]=3 512 B8R1.2 O=C[C@H]1CCCNC1 AM100710 [0,1,0,1,0,0|1,0,0]=3 513 B8R1.2 O=C[C@H]1CCCNC1 AM91227 [0,1,0,1,0,0|1,0,0]=3 514 B8R1.2 O=C[C@H]1CCCOC1 AM20100767 [0,1,0,1,0,0|0,1,0]=3 515 B8R1.2 OCC1CCSCC1 AMY3090 [0,1,0,1,0,0|0,0,2]=4 516 B8R1.5 CC1=NCCCN1C AM20100127 [0,1,0,1,0,0|2,0,0]=4 517 B8R1.5 CN1CCNCC1=O AM20100457 [0,1,0,1,0,0|1,0,0]=3 518 B8R1.5 CN1CCNCC1=O AMY39473 [0,1,0,1,0,0|1,0,0]=3 519 B8R1.5 C[C@@H]1SCCNC1=O AM20100643 [0,1,0,1,0,0|1,0,0]=3 520 B8R1.5 C[C@H]1CCCCC1=O AMY18022 [0,1,0,1,0,0|1,0,0]=3 521 B8R1.5 C[C@H]1CNCCC1=O AM20080736 [0,1,0,1,0,0|1,0,0]=3 522 B8R1.5 C[C@H]1CNCCC1=O AMY34879 [0,1,0,1,0,0|1,0,0]=3 523 B8R1.5 C[C@H]1COCCC1=O AM91072 [0,1,0,1,0,0|1,0,0]=3 524 B8R1.5 N[C@@H]1CCCNC1=O AMY4367 [0,1,0,1,0,0|2,0,0]=4 525 B8R1.5 N[C@H]1CCCCC1=O AMY19399 [0,1,0,1,0,0|1,0,0]=3 526 B8R1.5 N[C@H]1CCCNC1=O AMY4262 [0,1,0,1,0,0|2,0,0]=4 527 B8R1.5 N[C@H]1CCCNC1=O AMY769 [0,1,0,1,0,0|2,0,0]=4 528 B8R1.5 O=C1CCCCC1=O AM20070526 [0,1,0,1,0,0|1,0,1]=4 529 B8R1.5 O=C1CCCC[C@@H]1Br AM10048 [0,1,0,1,0,0|1,0,0]=3 530 B8R1.5 O=C1CCCC[C@@H]1F AMY42368 [0,1,0,1,0,0|1,0,0]=3 531 B8R1.5 O=C1CCNC[C@@H]1Br AM85422 [0,1,0,1,0,0|2,0,0]=4 532 B8R1.5 O=C1CCNC[C@@H]1F AMY6018 [0,1,0,1,0,0|2,0,0]=4 533 B8R1.5 O=C1CCNC[C@@H]1F AMY6089 [0,1,0,1,0,0|2,0,0]=4 534 B8R1.5 O=C1CCOC[C@@H]1Br AMY6158 [0,1,0,1,0,0|2,0,0]=4 535 B8R1.5 O=C1CCOC[C@@H]1F AMY6088 [0,1,0,1,0,0|2,0,0]=4 536 B8R1.8 O=CCC1CCCC1 AMY18693 [0,1,0,1,0,0|1,0,0]=3 537 B8R1.11 CN1CCC[C@H]1C=O AM101350 [0,1,0,1,0,0|1,0,0]=3 538 B8R1.11 CN1CCC[C@H]1C=O AM92013 [0,1,0,1,0,0|1,0,0]=3 539 B8R1.11 N#C[C@H]1CCCC1=O AMY4320 [0,1,0,1,0,0|1,0,1]=4 540 B8R1.11 N#C[C@H]1CNCC1=O AM101437 [0,1,0,1,0,0|2,0,0]=4 541 B8R1.11 N#C[C@H]1COCC1=O AMY23756 [0,1,0,1,0,0|2,0,0]=4 542 B8R1.11 N#C[C@H]1CSCC1=O AMY10953 [0,1,0,1,0,0|2,0,0]=4 543 B8R1.11 O=C1CCC=C1CO AMY2077 [0,1,0,1,0,0|1,0,1]=4 544 B8R1.11 O=C1NCC[C@@H]1CO AMY34785 [0,1,0,1,0,0|2,0,0]=4 545 B8R1.22 O=C1CCCCCC1 AMY3995 [0,1,0,1,0,0|1,0,0]=3 546 B8R1.22 O=C1CCCCCN1 AM802872 [0,1,0,1,0,0|1,0,0]=3 547 B8R1.22 O=C1CCCNCC1 AM20100232 [0,1,0,1,0,0|1,0,0]=3 548 B8R1.22 O=C1CCNCCN1 AM20090172 [0,1,0,1,0,0|2,0,0]=4 549 B8R1.22 O=C1CCNCCN1 AM85736 [0,1,0,1,0,0|2,0,0]=4 550 B8R1.22 O=C1CNCCCN1 AM804637 [0,1,0,1,0,0|1,0,0]=3 551 B8R1.49 C1=CCCCCCC1 AMY11766 [0,1,0,1,0,0|2,0,0]=4 552 B8R1.49 C1=CCCCCCC1 AMY19666 [0,1,0,1,0,0|2,0,0]=4 553 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,1,0,1,0,0|2,0,0]=4 554 B8R1.1 CN1CC[C@H](C=O)C1 AM92662 [0,1,0,1,0,0|1,0,0]=3 555 B8R1.1 NC[C@@H]1CCC(=O)N1 AMY21674 [0,1,0,1,0,0|2,0,0]=4 556 B8R1.1 NC[C@H]1CCC(=O)N1 AMY21633 [0,1,0,1,0,0|2,0,0]=4 557 B8R1.1 O=C1CC[C@@H](CBr)N1 AMY25044 [0,1,0,1,0,0|2,0,0]=4 558 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [0,1,0,1,0,0|2,0,0]=4 559 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [0,1,0,1,0,0|2,0,0]=4 560 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,1,0,1,0,0|2,0,0]=4 561 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,1,0,1,0,0|1,0,0]=3 562 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,1,0,1,0,0|2,0,0]=4 563 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,1,0,1,0,0|1,0,1]=4 564 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,1,0,1,0,0|2,0,0]=4 565 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,1,0,1,0,0|2,0,0]=4 566 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,1,0,1,0,0|1,0,0]=3 567 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,1,0,1,0,0|1,0,0]=3 568 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,1,0,1,0,0|2,0,0]=4 569 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,1,0,1,0,0|2,0,0]=4 570 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,1,0,1,0,0|1,0,1]=4 571 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,1,0,1,0,0|1,0,0]=3 572 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,1,0,1,0,0|1,0,0]=3 573 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,1,0,1,0,0|2,0,0]=4 574 B8R1.50 CC1C(=O)CCC1=O AM20100124 [0,1,0,1,0,0|1,0,1]=4 575 B8R1.50 CN1C(=O)CCC1=O AMY228 [0,1,0,1,0,0|1,0,1]=4 576 B8R1.50 CN1CCN(C)C1=O AMY25786 [0,1,0,1,0,0|2,0,0]=4 577 B8R1.50 CN1CC[C@H](N)C1=O AMY15163 [0,1,0,1,0,0|1,0,0]=3 578 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [0,1,0,1,0,0|1,0,0]=3 579 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,1,0,1,0,0|1,0,0]=3 580 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,1,0,1,0,0|2,0,0]=4 581 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,1,0,1,0,0|2,0,0]=4 582 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,1,0,1,0,0|2,0,0]=4 583 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,1,0,1,0,0|2,0,0]=4 584 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,1,0,1,0,0|1,0,0]=3 585 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,1,0,1,0,0|2,0,0]=4 586 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,1,0,1,0,0|2,0,0]=4 587 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,1,0,1,0,0|2,0,0]=4 588 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,1,0,1,0,0|1,0,0]=3 589 B8R1.4 O=C1CCCC(=O)N1 AMY400 [0,1,0,1,0,0|2,0,0]=4 590 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [0,1,0,1,0,0|2,0,0]=4 591 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,1,0,1,0,0|2,0,0]=4 592 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,1,0,1,0,0|2,0,0]=4 593 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,1,0,1,0,0|2,0,0]=4 594 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,1,0,1,0,0|2,0,0]=4 595 B8R1.7 CC(=O)C1CCCC1 AMY7477 [0,1,0,1,0,0|1,0,0]=3 596 B8R1.7 CC(=O)[C@H]1CCOC1 AMY6005 [0,1,0,1,0,0|0,1,0]=3 597 B8R1.7 N=C(N)C1CCCC1 AM806532 [0,1,0,1,0,0|2,0,0]=4 598 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20080102 [0,1,0,1,0,0|2,0,0]=4 599 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100548 [0,1,0,1,0,0|2,0,0]=4 600 B8R1.7 NC(=O)[C@@H]1CCCN1 AM20100732 [0,1,0,1,0,0|2,0,0]=4 601 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82205 [0,1,0,1,0,0|2,0,0]=4 602 B8R1.7 NC(=O)[C@@H]1CCCN1 AM82206 [0,1,0,1,0,0|2,0,0]=4 603 B8R1.7 NC(=O)[C@H]1CCNC1 AM20100187 [0,1,0,1,0,0|1,0,0]=3 604 B8R1.7 NC(=O)[C@H]1CCNC1 AM81209 [0,1,0,1,0,0|1,0,0]=3 605 B8R1.7 O=C(Cl)N1CCCC1 AMY737 [0,1,0,1,0,0|2,0,0]=4 606 B8R1.7 O=C(Cl)[C@@H]1CCCO1 AMY8077 [0,1,0,1,0,0|2,0,0]=4 607 B8R1.7 O=C(O)C1CC=CC1 AM20100760 [0,1,0,1,0,0|1,0,1]=4 608 B8R1.7 O=C(O)C1CCCC1 AM83283 [0,1,0,1,0,0|1,0,0]=3 609 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20080359 [0,1,0,1,0,0|2,0,0]=4 610 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20090537 [0,1,0,1,0,0|2,0,0]=4 611 B8R1.7 O=C(O)[C@@H]1CCCN1 AM20100482 [0,1,0,1,0,0|2,0,0]=4 612 B8R1.7 O=C(O)[C@@H]1CCCN1 AMY28657 [0,1,0,1,0,0|2,0,0]=4 613 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20090013 [0,1,0,1,0,0|2,0,0]=4 614 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110255 [0,1,0,1,0,0|2,0,0]=4 615 B8R1.7 O=C(O)[C@@H]1CCCO1 AM20110256 [0,1,0,1,0,0|2,0,0]=4 616 B8R1.7 O=C(O)[C@@H]1CCCS1 AM803451 [0,1,0,1,0,0|2,0,0]=4 617 B8R1.7 O=C(O)[C@@H]1COCN1 AMY16078 [0,1,0,1,0,0|1,1,0]=4 618 B8R1.7 O=C(O)[C@@H]1CSCN1 AM81428 [0,1,0,1,0,0|1,0,0]=3 619 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100448 [0,1,0,1,0,0|1,0,0]=3 620 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100693 [0,1,0,1,0,0|1,0,0]=3 621 B8R1.7 O=C(O)[C@H]1CCNC1 AM20100694 [0,1,0,1,0,0|1,0,0]=3 622 B8R1.7 O=C(O)[C@H]1CCNC1 AM20120375 [0,1,0,1,0,0|1,0,0]=3 623 B8R1.7 O=C(O)[C@H]1CCOC1 AM20090011 [0,1,0,1,0,0|0,1,0]=3 624 B8R1.7 O=C(O)[C@H]1CCOC1 AM20100615 [0,1,0,1,0,0|0,1,0]=3 625 B8R1.7 O=C(O)[C@H]1CCOC1 AM20120290 [0,1,0,1,0,0|0,1,0]=3 626 B8R1.19 CC1(C)CCCC1=O AMY25679 [0,1,0,1,0,0|1,0,0]=3 627 B8R1.19 CC1(C)CCNC1=O AMY23821 [0,1,0,1,0,0|2,0,0]=4 628 B8R1.31 CC1CCC1C(=O)O AM807028 [0,1,0,1,0,0|1,0,0]=3 629 B8R1.31 CC1NCC1C(=O)O AMY35766 [0,1,0,1,0,0|2,0,0]=4 630 B8R1.31 N[C@@H]1CC[C@H]1C(=O)O AMY35641 [0,1,0,1,0,0|2,0,0]=4 631 B8R1.34 CC(=O)NC1CNC1 AMY34221 [0,1,0,1,0,0|2,0,0]=4 632 B8R1.34 O=C(O)CC1CCC1 AM807029 [0,1,0,1,0,0|1,0,0]=3 633 B8R1.34 O=C(O)CC1CNC1 AMY33688 [0,1,0,1,0,0|1,0,0]=3 634 B8R1.34 O=C(O)CC1CNC1 AMY38757 [0,1,0,1,0,0|1,0,0]=3 635 B8R1.34 O=C(O)CC1COC1 AMY19671 [0,1,0,1,0,0|0,1,0]=3 636 B8R1.34 O=C(O)CN1CCC1 AMY21704 [0,1,0,1,0,0|2,0,0]=4 637 B8R1.35 O=C(O)CCC1CC1 AM8844 [0,1,0,1,0,0|1,0,0]=3 638 B8R1.43 N#C[C@@H]1C[C@H]1C(=O)O AMY12294 [0,1,0,1,0,0|2,0,0]=4 639 B8R1.18 CN1C[C@@H](N)CC1=O AMY34923 [0,1,0,1,0,0|1,0,0]=3 640 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,1,0,1,0,0|1,0,0]=3 641 B8R2.34 C1=CC2CC1CN2 AMY35181 [0,0,0,2,0,0|2,0,0]=4 642 B8R2.34 C1=CC2CCC1C2 AMY10401 [0,0,0,2,0,0|2,0,0]=4 643 B8R2.42 C1NCC12CSC2 AMY33627 [0,0,0,2,0,0|2,0,0]=4 644 B8R2.19 O=C1CCC12CC2 AMY35720 [0,0,0,2,0,0|1,0,0]=3