0 B5R0.3 C=CC(=O)NC M37664 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 C=C[C@H](C)ON B40346 [0,0,0,0,0,0|3,0,0]=3 2 B5R0.3 C=C[C@H](N)CO A40343 [0,0,0,0,0,0|3,0,0]=3 3 B5R0.3 CC(CBr)CBr D40238 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.3 CC(CO)CO M60880 [0,0,0,0,0,0|1,0,2]=3 5 B5R0.3 CCC(=N)NO H39883 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 CCC(=O)CN A32390 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 CCC(=O)CO H36713 [0,0,0,0,0,0|1,0,3]=4 8 B5R0.3 CCC(N)CC P40440 [0,0,0,0,0,0|2,0,1]=3 9 B5R0.3 CC[C@@H](N)CO A39144 [0,0,0,0,0,0|1,0,2]=3 10 B5R0.3 CC[C@@H](O)CO B39955 [0,0,0,0,0,0|1,0,2]=3 11 B5R0.3 CC[C@H](N)CO A39145 [0,0,0,0,0,0|1,0,2]=3 12 B5R0.3 CC[C@H](O)CO B39956 [0,0,0,0,0,0|1,0,2]=3 13 B5R0.3 CO[C@@H](C)CN M40313 [0,0,0,0,0,0|2,0,1]=3 14 B5R0.3 CO[C@@H](C)CO M68380 [0,0,0,0,0,0|1,0,2]=3 15 B5R0.3 CO[C@H](C)CN M40312 [0,0,0,0,0,0|2,0,1]=3 16 B5R0.3 CO[C@H](C)CO M68381 [0,0,0,0,0,0|1,0,2]=3 17 B5R0.3 NCC(O)CN D38498 [0,0,0,0,0,0|3,0,1]=4 18 B5R0.3 NC[C@@H](O)CCl A39888 [0,0,0,0,0,0|3,0,1]=4 19 B5R0.3 NC[C@@H](O)CO A67523 [0,0,0,0,0,0|2,0,2]=4 20 B5R0.3 NC[C@H](Br)CBr D9273 [0,0,0,0,0,0|3,0,1]=4 21 B5R0.3 NC[C@H](O)CCl A36622 [0,0,0,0,0,0|3,0,1]=4 22 B5R0.3 NC[C@H](O)CCl A39887 [0,0,0,0,0,0|3,0,1]=4 23 B5R0.3 NC[C@H](O)CF A28629 [0,0,0,0,0,0|3,0,1]=4 24 B5R0.3 NC[C@H](O)CO A38562 [0,0,0,0,0,0|2,0,2]=4 25 B5R0.3 NC[C@H](O)CO A67451 [0,0,0,0,0,0|2,0,2]=4 26 B5R0.3 O=CC(Br)C=O B2627 [0,0,0,0,0,0|2,0,1]=3 27 B5R0.3 O=C[C@H](O)CO D39873 [0,0,0,0,0,0|2,0,0]=2 28 B5R0.3 OC[C@@H](O)CCl C69122 [0,0,0,0,0,0|2,0,2]=4 29 B5R0.3 OC[C@@H](O)CF F60905 [0,0,0,0,0,0|2,0,2]=4 30 B5R0.3 OC[C@H](O)CCl C68371 [0,0,0,0,0,0|2,0,2]=4 31 B5R0.3 OC[C@H](O)CF F60904 [0,0,0,0,0,0|2,0,2]=4 32 B4R0.1 C#C[C@@H](C)O B62970 [1,0,0,0,0,0|0,0,3]=4 33 B4R0.1 C#C[C@H](C)N B32316 [1,0,0,0,0,0|1,0,2]=4 34 B4R0.1 C#C[C@H](C)O B40212 [1,0,0,0,0,0|0,0,3]=4 35 B4R0.1 C=C(Br)CO B39863 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.1 C=C(I)CO I9998 [1,0,0,0,0,0|2,0,1]=4 37 B4R0.1 C=NN(C)C D66909 [1,0,0,0,0,0|3,0,0]=4 38 B4R0.1 CC(=O)CN A38843 [1,0,0,0,0,0|1,0,1]=3 39 B4R0.1 CC(=O)CO H60801 [1,0,0,0,0,0|1,0,1]=3 40 B4R0.1 CC(=O)NN A64932 [1,0,0,0,0,0|2,0,1]=4 41 B4R0.1 CC(C)=CBr B2881 [1,0,0,0,0,0|1,0,1]=3 42 B4R0.1 CC(C)NN P67395 [1,0,0,0,0,0|2,0,0]=3 43 B4R0.1 CC(C)NO P39934 [1,0,0,0,0,0|1,0,1]=3 44 B4R0.1 CC(C)ON P39935 [1,0,0,0,0,0|2,0,0]=3 45 B4R0.1 CCB(O)O E3108 [1,0,0,0,0,0|2,0,1]=4 46 B4R0.1 CCC(=N)N P39882 [1,0,0,0,0,0|2,0,1]=4 47 B4R0.1 CCC(=N)N P39927 [1,0,0,0,0,0|2,0,1]=4 48 B4R0.1 CCC(N)=O P68920 [1,0,0,0,0,0|1,0,1]=3 49 B4R0.1 CC[C@H](C)N B62608 [1,0,0,0,0,0|1,0,0]=2 50 B4R0.1 CC[S@](=O)[O-] S39781 [1,0,0,0,0,0|2,0,0]=3 51 B4R0.1 CNN(C)C T66359 [1,0,0,0,0,0|2,0,1]=4 52 B4R0.1 C[C@@H](Cl)CO C39879 [1,0,0,0,0,0|2,0,0]=3 53 B4R0.1 C[C@@H](N)CN D39937 [1,0,0,0,0,0|2,0,0]=3 54 B4R0.1 C[C@@H](N)CO A13415 [1,0,0,0,0,0|2,0,0]=3 55 B4R0.1 C[C@@H](O)CCl C67728 [1,0,0,0,0,0|1,0,1]=3 56 B4R0.1 C[C@@H](O)CN A67482 [1,0,0,0,0,0|1,0,1]=3 57 B4R0.1 C[C@H](Br)CN B39885 [1,0,0,0,0,0|2,0,0]=3 58 B4R0.1 C[C@H](Cl)CO C39880 [1,0,0,0,0,0|2,0,0]=3 59 B4R0.1 C[C@H](N)CF F62811 [1,0,0,0,0,0|2,0,0]=3 60 B4R0.1 C[C@H](N)CN P39936 [1,0,0,0,0,0|2,0,0]=3 61 B4R0.1 C[C@H](N)CO A13416 [1,0,0,0,0,0|2,0,0]=3 62 B4R0.1 C[C@H](N)CO A69136 [1,0,0,0,0,0|2,0,0]=3 63 B4R0.1 C[C@H](O)CN A69178 [1,0,0,0,0,0|1,0,1]=3 64 B4R0.1 C[C@H](O)CO P60705 [1,0,0,0,0,0|1,0,1]=3 65 B4R0.1 NC(=O)CBr B39771 [1,0,0,0,0,0|2,0,1]=4 66 B4R0.1 NC(=O)CI K60849 [1,0,0,0,0,0|2,0,1]=4 67 B4R0.1 NC(=O)CO H68919 [1,0,0,0,0,0|2,0,1]=4 68 B4R0.1 NCC(N)=O G69255 [1,0,0,0,0,0|2,0,1]=4 69 B4R0.2 BrCCCBr D69412 [1,0,0,0,0,0|2,0,1]=4 70 B4R0.2 C#CCCN B40327 [1,0,0,0,0,0|2,0,1]=4 71 B4R0.2 C#CCCO B26554 [1,0,0,0,0,0|2,0,1]=4 72 B4R0.2 C#CCNC M60803 [1,0,0,0,0,0|2,0,1]=4 73 B4R0.2 C=CCCN B21913 [1,0,0,0,0,0|2,0,0]=3 74 B4R0.2 C=CCCO B40252 [1,0,0,0,0,0|2,0,0]=3 75 B4R0.2 C=CCON A39923 [1,0,0,0,0,0|3,0,0]=4 76 B4R0.2 CCCNN P39906 [1,0,0,0,0,0|2,0,0]=3 77 B4R0.2 CNCC#N M39141 [1,0,0,0,0,0|2,0,1]=4 78 B4R0.2 CNCCBr B38473 [1,0,0,0,0,0|2,0,1]=4 79 B4R0.2 CNCCCl C39886 [1,0,0,0,0,0|2,0,1]=4 80 B4R0.2 COCCBr B39138 [1,0,0,0,0,0|2,0,1]=4 81 B4R0.2 COCCI K39881 [1,0,0,0,0,0|2,0,1]=4 82 B4R0.2 CSCCN M62136 [1,0,0,0,0,0|2,0,1]=4 83 B4R0.2 ClCCCI C1367 [1,0,0,0,0,0|2,0,1]=4 84 B4R0.2 ICCCI D39865 [1,0,0,0,0,0|2,0,1]=4 85 B4R0.2 N#CCCN C64951 [1,0,0,0,0,0|2,0,1]=4 86 B4R0.2 N#CCCO H67414 [1,0,0,0,0,0|2,0,1]=4 87 B4R0.2 N#CCCS M39860 [1,0,0,0,0,0|2,0,1]=4 88 B4R0.2 NCCCCl C37835 [1,0,0,0,0,0|2,0,1]=4 89 B4R0.2 NCCCO A69322 [1,0,0,0,0,0|1,0,2]=4 90 B4R0.2 NOCCO A39786 [1,0,0,0,0,0|3,0,0]=4 91 B4R0.2 OCCCBr B39137 [1,0,0,0,0,0|1,0,2]=4 92 B4R0.2 OCCCO P69117 [1,0,0,0,0,0|1,0,2]=4 93 B6R0.1 C=CC[C@@H](N)CO A41325 [0,1,0,0,0,0|3,0,0]=4 94 B6R0.1 CC=CC(=O)CC H41457 [0,1,0,0,0,0|2,0,1]=4 95 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,1,0,0,0,0|2,0,1]=4 96 B6R0.1 CCC[C@H](N)CO A40443 [0,1,0,0,0,0|1,0,2]=4 97 B6R0.1 CCC[C@H](N)CO A66421 [0,1,0,0,0,0|1,0,2]=4 98 B6R0.1 CCO\C(C)=N\O E68624 [0,1,0,0,0,0|1,0,2]=4 99 B6R0.1 CNC[C@H](O)CO M37886 [0,1,0,0,0,0|1,0,2]=4 100 B6R0.1 CO[C@@H](C)CCO M68623 [0,1,0,0,0,0|2,0,0]=3 101 B6R0.3 C=C(CBr)C(=O)O B40169 [0,1,0,0,0,0|1,0,2]=4 102 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,1,0,0,0,0|0,0,2]=3 103 B6R0.3 C=C[C@H](N)C(=O)O A40334 [0,1,0,0,0,0|1,0,2]=4 104 B6R0.3 CC(C)[C@@H](N)CO V15808 [0,1,0,0,0,0|1,0,2]=4 105 B6R0.3 CC(C)[C@H](N)CO V40442 [0,1,0,0,0,0|1,0,2]=4 106 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,1,0,0,0,0|1,0,1]=3 107 B6R0.3 CCN(C)C(=O)Cl E40250 [0,1,0,0,0,0|1,0,0]=2 108 B6R0.3 CCN(C)C(C)=O E40404 [0,1,0,0,0,0|1,0,0]=2 109 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,1,0,0,0,0|0,0,0]=1 110 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,1,0,0,0,0|1,0,0]=2 111 B6R0.3 CC[C@H](C)B(O)O B39967 [0,1,0,0,0,0|1,0,1]=3 112 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,1,0,0,0,0|1,0,0]=2 113 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,1,0,0,0,0|1,0,0]=2 114 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,1,0,0,0,0|1,0,0]=2 115 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,1,0,0,0,0|1,0,0]=2 116 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,1,0,0,0,0|1,0,0]=2 117 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,1,0,0,0,0|1,0,0]=2 118 B6R0.3 CON(C)C(C)=O M3307 [0,1,0,0,0,0|2,0,0]=3 119 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,1,0,0,0,0|1,0,0]=2 120 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,1,0,0,0,0|1,0,0]=2 121 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,1,0,0,0,0|1,0,0]=2 122 B6R0.3 C[C@@H](O)[C@H](N)CO A68622 [0,1,0,0,0,0|1,0,2]=4 123 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,1,0,0,0,0|1,0,0]=2 124 B6R0.3 C[C@H](O)[C@@H](N)CO T39965 [0,1,0,0,0,0|1,0,2]=4 125 B6R0.3 NC(=O)[C@H](N)CO A39930 [0,1,0,0,0,0|2,0,0]=3 126 B6R0.3 NC[C@@H](O)C(=O)O A39878 [0,1,0,0,0,0|2,0,0]=3 127 B6R0.3 NC[C@H](N)C(=O)O D39929 [0,1,0,0,0,0|2,0,0]=3 128 B6R0.3 NC[C@H](O)C(=O)O S39877 [0,1,0,0,0,0|2,0,0]=3 129 B6R0.3 N[C@@H](CS)C(=O)O A39926 [0,1,0,0,0,0|2,0,0]=3 130 B6R0.3 N[C@H](CCl)C(=O)O A39869 [0,1,0,0,0,0|2,0,0]=3 131 B6R0.3 N[C@H](CCl)C(=O)O A63558 [0,1,0,0,0,0|2,0,0]=3 132 B6R0.3 N[C@H](CS)C(=O)O A37860 [0,1,0,0,0,0|2,0,0]=3 133 B6R0.3 N[C@H](CS)C(=O)O C67456 [0,1,0,0,0,0|2,0,0]=3 134 B6R0.3 N[C@H](CS)C(=O)O C69203 [0,1,0,0,0,0|2,0,0]=3 135 B6R0.3 O=C(O)[C@@H](Br)CBr D39848 [0,1,0,0,0,0|2,0,0]=3 136 B6R0.3 O=C(O)[C@@H](O)CO D38851 [0,1,0,0,0,0|2,0,0]=3 137 B6R0.8 C#C[C@@](C)(N)CC M43435 [0,1,0,0,0,0|1,0,1]=3 138 B6R0.8 CC(C)(C#N)CO H38135 [0,1,0,0,0,0|2,0,1]=4 139 B6R0.8 CC(C)(CO)CCl C40423 [0,1,0,0,0,0|1,0,2]=4 140 B6R0.8 CC[C@](C)(N)C#N A40368 [0,1,0,0,0,0|1,0,1]=3 141 B6R0.8 CNC(C)(C)CO M40446 [0,1,0,0,0,0|1,0,2]=4 142 B6R0.8 COC(C)(C)CN M6043 [0,1,0,0,0,0|2,0,1]=4 143 B6R0.8 O=CC(Br)(Br)CBr T32084 [0,1,0,0,0,0|2,0,0]=3 144 B6R0.9 CCC(CC)C[Mg+] E31704 [0,1,0,0,0,0|1,0,1]=3 145 B6R0.9 CCN(C=O)CC D68184 [0,1,0,0,0,0|1,0,0]=2 146 B6R0.9 COC(C=O)OC D38564 [0,1,0,0,0,0|1,0,0]=2 147 B6R0.9 COC(CBr)OC B25077 [0,1,0,0,0,0|2,0,1]=4 148 B6R0.9 COC(CN)OC D39146 [0,1,0,0,0,0|2,0,1]=4 149 B6R0.9 OCC(CO)CO H36774 [0,1,0,0,0,0|1,0,2]=4 150 B6R1.2 Br[C@H]1CCNC1 B40246 [0,0,0,1,0,0|2,0,1]=4 151 B6R1.2 Br[C@H]1CCOC1 B0393 [0,0,0,1,0,0|1,0,2]=4 152 B6R1.2 CC1=NCCC1 M41239 [0,0,0,1,0,0|2,0,1]=4 153 B6R1.2 C[C@@H]1CCCN1 M23610 [0,0,0,1,0,0|2,0,0]=3 154 B6R1.2 C[C@@H]1CCNC1 M22540 [0,0,0,1,0,0|1,0,1]=3 155 B6R1.2 C[C@H]1CCCN1 M21836 [0,0,0,1,0,0|2,0,0]=3 156 B6R1.2 C[C@H]1CCCN1 M24199 [0,0,0,1,0,0|2,0,0]=3 157 B6R1.2 C[C@H]1CCCN1 M24435 [0,0,0,1,0,0|2,0,0]=3 158 B6R1.2 C[C@H]1CCNC1 M22012 [0,0,0,1,0,0|1,0,1]=3 159 B6R1.2 C[C@H]1CCNC1 M69520 [0,0,0,1,0,0|1,0,1]=3 160 B6R1.2 F[C@@H]1CCNC1 F7494 [0,0,0,1,0,0|2,0,1]=4 161 B6R1.2 F[C@H]1CCNC1 F0136 [0,0,0,1,0,0|2,0,1]=4 162 B6R1.2 F[C@H]1CCNC1 F7493 [0,0,0,1,0,0|2,0,1]=4 163 B6R1.2 IC1CCCC1 I20419 [0,0,0,1,0,0|2,0,1]=4 164 B6R1.2 I[C@@H]1CCOC1 I1538 [0,0,0,1,0,0|1,0,2]=4 165 B6R1.2 I[C@H]1CCOC1 I0392 [0,0,0,1,0,0|1,0,2]=4 166 B6R1.2 I[C@H]1CCOC1 I1672 [0,0,0,1,0,0|1,0,2]=4 167 B6R1.2 N[C@@H]1CCNC1 P16877 [0,0,0,1,0,0|2,0,1]=4 168 B6R1.2 N[C@@H]1CCNC1 P16878 [0,0,0,1,0,0|2,0,1]=4 169 B6R1.2 N[C@@H]1CCOC1 A7431 [0,0,0,1,0,0|1,0,2]=4 170 B6R1.2 N[C@@H]1CCOC1 X16388 [0,0,0,1,0,0|1,0,2]=4 171 B6R1.2 N[C@H]1CCNC1 P16879 [0,0,0,1,0,0|2,0,1]=4 172 B6R1.2 N[C@H]1CCNC1 P68854 [0,0,0,1,0,0|2,0,1]=4 173 B6R1.2 N[C@H]1CCOC1 A0023 [0,0,0,1,0,0|1,0,2]=4 174 B6R1.2 N[C@H]1CCOC1 A7432 [0,0,0,1,0,0|1,0,2]=4 175 B6R1.2 N[C@H]1CCOC1 T40344 [0,0,0,1,0,0|1,0,2]=4 176 B6R1.2 N[C@H]1CCOC1 X22238 [0,0,0,1,0,0|1,0,2]=4 177 B6R1.2 O=C1C=CCC1 C26583 [0,0,0,1,0,0|2,0,1]=4 178 B6R1.2 O[C@@H]1CCNC1 H7458 [0,0,0,1,0,0|2,0,1]=4 179 B6R1.2 O[C@@H]1CCNC1 P4643 [0,0,0,1,0,0|2,0,1]=4 180 B6R1.2 O[C@@H]1CCOC1 H7563 [0,0,0,1,0,0|1,0,2]=4 181 B6R1.2 O[C@H]1CCNC1 H0275 [0,0,0,1,0,0|2,0,1]=4 182 B6R1.2 O[C@H]1CCNC1 H7496 [0,0,0,1,0,0|2,0,1]=4 183 B6R1.2 O[C@H]1CCNC1 P0679 [0,0,0,1,0,0|2,0,1]=4 184 B6R1.2 O[C@H]1CCOC1 H0466 [0,0,0,1,0,0|1,0,2]=4 185 B6R1.2 O[C@H]1CCOC1 H10322 [0,0,0,1,0,0|1,0,2]=4 186 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [0,0,0,1,0,0|1,0,2]=4 187 B6R1.4 CC1NCC1F F21597 [0,0,0,1,0,0|2,0,1]=4 188 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,0,0,1,0,0|1,0,2]=4 189 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,1,0,0|1,0,0]=2 190 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,1,0,0|1,0,0]=2 191 B6R1.4 N[C@@H]1CNC1=O A60450 [0,0,0,1,0,0|2,0,0]=3 192 B6R1.4 N[C@H]1CNC1=O A39918 [0,0,0,1,0,0|2,0,0]=3 193 B6R1.6 BrCC1COC1 B19169 [0,0,0,1,0,0|1,0,2]=4 194 B6R1.6 BrC[C@H]1CCO1 B0614 [0,0,0,1,0,0|2,0,1]=4 195 B6R1.6 C#CC1COC1 E59987 [0,0,0,1,0,0|2,0,1]=4 196 B6R1.6 CNC1CNC1 M1333 [0,0,0,1,0,0|2,0,1]=4 197 B6R1.6 CNC1COC1 M5690 [0,0,0,1,0,0|1,0,2]=4 198 B6R1.6 CN[C@@H]1CCN1 A7337 [0,0,0,1,0,0|3,0,0]=4 199 B6R1.6 COC1CNC1 M0107 [0,0,0,1,0,0|2,0,1]=4 200 B6R1.6 CSC1CNC1 M0303 [0,0,0,1,0,0|2,0,1]=4 201 B6R1.6 FCC1CNC1 F21648 [0,0,0,1,0,0|2,0,1]=4 202 B6R1.6 ICC1CCC1 I29708 [0,0,0,1,0,0|1,0,1]=3 203 B6R1.6 ICC1COC1 I6937 [0,0,0,1,0,0|1,0,2]=4 204 B6R1.6 IC[C@H]1CCO1 I6940 [0,0,0,1,0,0|2,0,1]=4 205 B6R1.6 N#CC1CCC1 C5653 [0,0,0,1,0,0|1,0,1]=3 206 B6R1.6 N#CC1CNC1 A0188 [0,0,0,1,0,0|2,0,1]=4 207 B6R1.6 N#CC1COC1 X61554 [0,0,0,1,0,0|2,0,1]=4 208 B6R1.6 N#C[C@H]1CCN1 A60326 [0,0,0,1,0,0|2,0,1]=4 209 B6R1.6 NCC1CCC1 C0310 [0,0,0,1,0,0|1,0,1]=3 210 B6R1.6 NCC1CCC1 C1144 [0,0,0,1,0,0|1,0,1]=3 211 B6R1.6 NCC1CNC1 A13410 [0,0,0,1,0,0|2,0,1]=4 212 B6R1.6 NCC1COC1 O5691 [0,0,0,1,0,0|1,0,2]=4 213 B6R1.6 NCC1CSC1 T6978 [0,0,0,1,0,0|1,1,1]=4 214 B6R1.6 NC[C@H]1CCO1 X6187 [0,0,0,1,0,0|2,0,1]=4 215 B6R1.6 NNC1CCC1 C37776 [0,0,0,1,0,0|2,0,0]=3 216 B6R1.6 OCC1CCC1 C67424 [0,0,0,1,0,0|0,0,2]=3 217 B6R1.6 OCC1CNC1 A5874 [0,0,0,1,0,0|1,0,2]=4 218 B6R1.6 OCC1CNC1 H12177 [0,0,0,1,0,0|1,0,2]=4 219 B6R1.6 OCC1COC1 X6263 [0,0,0,1,0,0|1,0,2]=4 220 B6R1.6 OCC1CSC1 T20107 [0,0,0,1,0,0|1,0,2]=4 221 B6R1.6 OC[C@@H]1CCN1 A11256 [0,0,0,1,0,0|1,0,2]=4 222 B6R1.6 OC[C@H]1CCN1 A11255 [0,0,0,1,0,0|1,0,2]=4 223 B6R1.6 OC[C@H]1CCN1 A11257 [0,0,0,1,0,0|1,0,2]=4 224 B6R1.6 OC[C@H]1CCO1 X6188 [0,0,0,1,0,0|1,0,2]=4 225 B6R1.6 [Mg+]CC1CCC1 C5036 [0,0,0,1,0,0|1,0,1]=3 226 B6R1.7 C#CC1(N)CC1 E64486 [0,0,0,1,0,0|2,0,1]=4 227 B6R1.7 CC1(CN)CC1 M41319 [0,0,0,1,0,0|1,0,1]=3 228 B6R1.7 CC1(CO)CC1 M29792 [0,0,0,1,0,0|0,0,2]=3 229 B6R1.7 CC1(CO)N=N1 M63686 [0,0,0,1,0,0|3,0,0]=4 230 B6R1.7 CCC1(N)CC1 E29724 [0,0,0,1,0,0|2,0,1]=4 231 B6R1.7 C[C@]1(CCl)CO1 C62803 [0,0,0,1,0,0|1,0,2]=4 232 B6R1.7 N#CC1(N)CC1 A5725 [0,0,0,1,0,0|2,0,1]=4 233 B6R1.7 NC1(CO)CC1 A1400 [0,0,0,1,0,0|1,0,2]=4 234 B6R1.7 NC1(CO)CC1 A16823 [0,0,0,1,0,0|1,0,2]=4 235 B6R1.7 NCC1(F)CC1 F60284 [0,0,0,1,0,0|2,0,1]=4 236 B6R1.7 NCC1(O)CC1 A13658 [0,0,0,1,0,0|2,0,1]=4 237 B3R0.1 CCCN P62456 [2,0,0,0,0,0|1,0,0]=3 238 B3R0.1 CCNC M39932 [2,0,0,0,0,0|1,0,0]=3 239 B3R0.1 CCON E60797 [2,0,0,0,0,0|2,0,0]=4 240 B3R0.1 FCCI F39767 [2,0,0,0,0,0|2,0,0]=4 241 B3R0.1 NCCBr B68074 [2,0,0,0,0,0|2,0,0]=4 242 B3R0.1 NCCCl C68611 [2,0,0,0,0,0|2,0,0]=4 243 B3R0.1 NCCF F39796 [2,0,0,0,0,0|2,0,0]=4 244 B3R0.2 C=C(C)[Mg+] K5651 [2,0,0,0,0,0|1,0,1]=4 245 B3R0.2 CC(=O)O F69263 [2,0,0,0,0,0|1,0,1]=4 246 B3R0.2 CC(=O)[O-] C69398 [2,0,0,0,0,0|1,0,1]=4 247 B3R0.2 CC(=O)[O-] M67642 [2,0,0,0,0,0|1,0,1]=4 248 B3R0.2 CC(=O)[O-] N62590 [2,0,0,0,0,0|1,0,1]=4 249 B3R0.2 CC(=O)[O-] P67455 [2,0,0,0,0,0|1,0,1]=4 250 B3R0.2 CC(=O)[O-] R62611 [2,0,0,0,0,0|1,0,1]=4 251 B3R0.2 CC(=O)[O-] S62515 [2,0,0,0,0,0|1,0,1]=4 252 B3R0.2 CC(C)N P39142 [2,0,0,0,0,0|1,0,0]=3 253 B3R0.2 C[S+](C)C T68118 [2,0,0,0,0,0|1,0,1]=4 254 B3R0.2 C[S@](=O)[O-] S60840 [2,0,0,0,0,0|2,0,0]=4 255 B5R0.1 C=C(C)CON M40345 [1,1,0,0,0,0|1,0,1]=4 256 B5R0.1 C=C(C)OCC E5573 [1,1,0,0,0,0|0,0,1]=3 257 B5R0.1 C=CC[C@H](C)O P62507 [1,1,0,0,0,0|0,0,2]=4 258 B5R0.1 CC#C[C@H](C)O B1790 [1,1,0,0,0,0|0,0,2]=4 259 B5R0.1 CC(=O)CC#N X40158 [1,1,0,0,0,0|0,0,2]=4 260 B5R0.1 CC(=O)CCCl C69539 [1,1,0,0,0,0|0,0,1]=3 261 B5R0.1 CC(C)CNN B40316 [1,1,0,0,0,0|1,0,1]=4 262 B5R0.1 CC(C)\C=N\O I2624 [1,1,0,0,0,0|0,0,1]=3 263 B5R0.1 CCC[C@@H](C)N P16023 [1,1,0,0,0,0|1,0,0]=3 264 B5R0.1 CCC[C@H](C)N P22363 [1,1,0,0,0,0|1,0,0]=3 265 B5R0.1 CCOC(C)=N E68065 [1,1,0,0,0,0|1,0,1]=4 266 B5R0.1 CN(C)CC=O D39943 [1,1,0,0,0,0|1,0,0]=3 267 B5R0.1 CN(C)CCBr B39953 [1,1,0,0,0,0|1,0,1]=4 268 B5R0.1 CN(C)NC=O D66358 [1,1,0,0,0,0|1,0,0]=3 269 B5R0.1 CNCC(=O)O M68590 [1,1,0,0,0,0|1,0,1]=4 270 B5R0.1 CNCC(N)=O M68358 [1,1,0,0,0,0|1,0,1]=4 271 B5R0.1 COCC(=O)O M69331 [1,1,0,0,0,0|1,0,1]=4 272 B5R0.1 COC[C@@H](C)N M40311 [1,1,0,0,0,0|1,0,0]=3 273 B5R0.1 COC[C@@H](C)O M39959 [1,1,0,0,0,0|0,0,1]=3 274 B5R0.1 COC[C@H](C)O M61064 [1,1,0,0,0,0|0,0,1]=3 275 B5R0.1 C[C@@H](N)CCO A10772 [1,1,0,0,0,0|1,0,0]=3 276 B5R0.1 C[C@H](N)CCO A10771 [1,1,0,0,0,0|1,0,0]=3 277 B5R0.1 C[C@H](N)CCO A39964 [1,1,0,0,0,0|1,0,0]=3 278 B5R0.1 C[C@H](O)CCO B68917 [1,1,0,0,0,0|0,0,1]=3 279 B5R0.1 NCCC(N)=O A67869 [1,1,0,0,0,0|1,0,1]=4 280 B5R0.1 NCC[P@H](=O)O A39788 [1,1,0,0,0,0|2,0,0]=4 281 B5R0.1 O=[N+]([O-])CCO N39779 [1,1,0,0,0,0|2,0,0]=4 282 B5R0.1 OCCC(F)F D60407 [1,1,0,0,0,0|2,0,0]=4 283 B5R0.4 C#CC(C)(C)C D2889 [1,1,0,0,0,0|1,0,1]=4 284 B5R0.4 C=C[Si](C)(C)C E25225 [1,1,0,0,0,0|1,1,0]=4 285 B5R0.4 CC(C)(C)CN D41344 [1,1,0,0,0,0|1,0,1]=4 286 B5R0.4 CC(C)(C)C[Mg+] D31702 [1,1,0,0,0,0|1,0,1]=4 287 B5R0.4 CC(C)(C)NO B41419 [1,1,0,0,0,0|1,0,1]=4 288 B5R0.4 CC(C)(C)ON B40314 [1,1,0,0,0,0|2,0,0]=4 289 B5R0.4 CC(C)(F)CO F64897 [1,1,0,0,0,0|0,0,2]=4 290 B5R0.4 CC(C)(N)C#N A39161 [1,1,0,0,0,0|1,0,1]=4 291 B5R0.4 CC(C)(N)CN M25502 [1,1,0,0,0,0|1,0,1]=4 292 B5R0.4 CC(C)(N)CO A68632 [1,1,0,0,0,0|0,0,2]=4 293 B5R0.4 CC(C)(O)CCl C40272 [1,1,0,0,0,0|1,0,1]=4 294 B5R0.4 CC(C)(O)CN A10987 [1,1,0,0,0,0|1,0,1]=4 295 B5R0.4 CC(C)(O)CO M37968 [1,1,0,0,0,0|0,0,2]=4 296 B5R0.4 CC(C)(S)CN A40315 [1,1,0,0,0,0|1,0,1]=4 297 B5R0.4 CC(F)(F)CN D38838 [1,1,0,0,0,0|2,0,0]=4 298 B5R0.4 CCS(N)(=O)=O E39787 [1,1,0,0,0,0|2,0,0]=4 299 B5R0.4 CNS(C)(=O)=O M39134 [1,1,0,0,0,0|2,0,0]=4 300 B5R0.4 COS(C)(=O)=O M67643 [1,1,0,0,0,0|2,0,0]=4 301 B5R0.4 [C-]#[N+]C(C)(C)C I29922 [1,1,0,0,0,0|2,0,0]=4 302 B5R0.5 CC(=O)C(=O)[O-] C43424 [1,1,0,0,0,0|1,0,1]=4 303 B5R0.5 CC(C)B(O)O P39893 [1,1,0,0,0,0|1,0,1]=4 304 B5R0.5 CC(C)C(=N)N B40303 [1,1,0,0,0,0|1,0,0]=3 305 B5R0.5 CC(C)C(N)=O I4848 [1,1,0,0,0,0|0,0,0]=2 306 B5R0.5 CC(C)C(N)=S M3101 [1,1,0,0,0,0|0,1,0]=3 307 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,1,0,0,0,0|1,0,0]=3 308 B5R0.5 CC(O)C(=O)[O-] C60888 [1,1,0,0,0,0|1,0,0]=3 309 B5R0.5 CN(C)C(=S)Cl D8332 [1,1,0,0,0,0|1,1,0]=4 310 B5R0.5 CN(N)C(N)=O M1991 [1,1,0,0,0,0|2,0,0]=4 311 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,1,0,0,0,0|1,0,0]=3 312 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,1,0,0,0,0|1,0,0]=3 313 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,1,0,0,0,0|1,0,0]=3 314 B5R0.5 C[C@@H](O)[C@@H](C)O B39957 [1,1,0,0,0,0|0,0,1]=3 315 B5R0.5 C[C@H](N)C(=O)O A39925 [1,1,0,0,0,0|1,0,0]=3 316 B5R0.5 C[C@H](N)C(=O)O A60902 [1,1,0,0,0,0|1,0,0]=3 317 B5R0.5 C[C@H](O)[C@H](C)O B39958 [1,1,0,0,0,0|0,0,1]=3 318 B5R0.2 BrCCCCBr D69410 [1,1,0,0,0,0|1,0,1]=4 319 B5R0.2 C#CCCCCl C68183 [1,1,0,0,0,0|1,0,1]=4 320 B5R0.2 C#CCCCI I8474 [1,1,0,0,0,0|1,0,1]=4 321 B5R0.2 C#CCCCN P41368 [1,1,0,0,0,0|1,0,1]=4 322 B5R0.2 C#CCCCO P68382 [1,1,0,0,0,0|1,0,1]=4 323 B5R0.2 C=CCCCBr B41237 [1,1,0,0,0,0|1,0,0]=3 324 B5R0.2 C=CCCCCl C41238 [1,1,0,0,0,0|1,0,0]=3 325 B5R0.2 C=CCCCO P36921 [1,1,0,0,0,0|1,0,0]=3 326 B5R0.2 CCCCON B40310 [1,1,0,0,0,0|0,0,2]=4 327 B5R0.2 CCO\C=C/Br B2725 [1,1,0,0,0,0|1,0,1]=4 328 B5R0.2 CNCCCCl C39954 [1,1,0,0,0,0|1,0,1]=4 329 B5R0.2 CNCCCO M36844 [1,1,0,0,0,0|0,0,2]=4 330 B5R0.2 CNCCOC M23409 [1,1,0,0,0,0|2,0,0]=4 331 B5R0.2 COCCC#N M39153 [1,1,0,0,0,0|1,0,1]=4 332 B5R0.2 COCCCBr B68335 [1,1,0,0,0,0|1,0,1]=4 333 B5R0.2 COCCCO M69411 [1,1,0,0,0,0|0,0,2]=4 334 B5R0.2 ClCCCCI C40239 [1,1,0,0,0,0|1,0,1]=4 335 B5R0.2 ICCCCI D37834 [1,1,0,0,0,0|1,0,1]=4 336 B5R0.2 N#CCCCBr B67593 [1,1,0,0,0,0|1,0,1]=4 337 B5R0.2 N#CCCCCl C64907 [1,1,0,0,0,0|1,0,1]=4 338 B5R0.2 NCCCCBr B39952 [1,1,0,0,0,0|1,0,1]=4 339 B5R0.2 NCCCCN D39162 [1,1,0,0,0,0|1,0,1]=4 340 B5R0.2 OCCCCBr B67330 [1,1,0,0,0,0|0,0,2]=4 341 B7R0.2 CC(C=O)=CN(C)C D41498 [0,2,0,0,0,0|0,0,2]=4 342 B7R0.2 CCC(=O)CC(C)=O H69646 [0,2,0,0,0,0|1,0,1]=4 343 B7R0.2 CCC(=O)OC(C)=O A41227 [0,2,0,0,0,0|1,0,1]=4 344 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,2,0,0,0,0|0,0,0]=2 345 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,2,0,0,0,0|1,0,0]=3 346 B7R0.2 C[C@H](CCl)CN(C)C C41612 [0,2,0,0,0,0|1,0,1]=4 347 B7R0.2 NC[C@@H](O)CC(=O)O A32052 [0,2,0,0,0,0|2,0,0]=4 348 B7R0.2 NC[C@H](O)CC(=O)O A67723 [0,2,0,0,0,0|2,0,0]=4 349 B7R0.2 N[C@@H](CO)CC(=O)O A38154 [0,2,0,0,0,0|2,0,0]=4 350 B7R0.5 C#CC[C@@H](N)C(=O)O A41167 [0,2,0,0,0,0|1,0,1]=4 351 B7R0.5 C#CC[C@@H](N)C(=O)O A41354 [0,2,0,0,0,0|1,0,1]=4 352 B7R0.5 C#CC[C@H](N)C(=O)O A41168 [0,2,0,0,0,0|1,0,1]=4 353 B7R0.5 C#CC[C@H](N)C(=O)O A41353 [0,2,0,0,0,0|1,0,1]=4 354 B7R0.5 C#CC[C@H](N)C(=O)O A41355 [0,2,0,0,0,0|1,0,1]=4 355 B7R0.5 C=CC[C@@H](N)C(=O)O A41371 [0,2,0,0,0,0|1,0,1]=4 356 B7R0.5 C=CC[C@H](N)C(=O)O A68612 [0,2,0,0,0,0|1,0,1]=4 357 B7R0.5 CCC=C(C)C(=O)O M39198 [0,2,0,0,0,0|0,0,1]=3 358 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,2,0,0,0,0|1,0,0]=3 359 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,2,0,0,0,0|1,0,0]=3 360 B7R0.5 CCOC(=O)C(=O)O E36772 [0,2,0,0,0,0|1,0,1]=4 361 B7R0.5 CCOC(=O)C(C)=O E60800 [0,2,0,0,0,0|1,0,1]=4 362 B7R0.5 CCOC(=O)C(N)=O E60589 [0,2,0,0,0,0|1,0,1]=4 363 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,2,0,0,0,0|0,0,1]=3 364 B7R0.5 COC[C@@H](N)C(=O)O A40353 [0,2,0,0,0,0|1,0,0]=3 365 B7R0.5 COC[C@@H](N)C(=O)O A61058 [0,2,0,0,0,0|1,0,0]=3 366 B7R0.5 COC[C@H](Br)C(=O)O B40233 [0,2,0,0,0,0|1,0,0]=3 367 B7R0.5 COC[C@H](N)C(=O)O A40354 [0,2,0,0,0,0|1,0,0]=3 368 B7R0.5 COC[C@H](N)C(=O)O A67760 [0,2,0,0,0,0|1,0,0]=3 369 B7R0.5 NCC[C@@H](N)C(=O)O D40355 [0,2,0,0,0,0|1,0,0]=3 370 B7R0.5 NCC[C@H](F)C(=O)O A63044 [0,2,0,0,0,0|1,0,0]=3 371 B7R0.5 NCC[C@H](N)C(=O)O D37858 [0,2,0,0,0,0|1,0,0]=3 372 B7R0.5 NCC[C@H](N)C(=O)O D68313 [0,2,0,0,0,0|1,0,0]=3 373 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,2,0,0,0,0|1,0,0]=3 374 B7R0.5 NOC[C@H](N)C(=O)O A39931 [0,2,0,0,0,0|2,0,0]=4 375 B7R0.5 N[C@@H](CCBr)C(=O)O A37762 [0,2,0,0,0,0|1,0,0]=3 376 B7R0.5 N[C@@H](CCO)C(=O)O A68603 [0,2,0,0,0,0|1,0,0]=3 377 B7R0.5 N[C@@H](CCS)C(=O)O H68345 [0,2,0,0,0,0|1,0,0]=3 378 B7R0.5 N[C@H](CCO)C(=O)O A68363 [0,2,0,0,0,0|1,0,0]=3 379 B7R0.5 N[C@H](CCS)C(=O)O A66150 [0,2,0,0,0,0|1,0,0]=3 380 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,2,0,0,0,0|1,0,1]=4 381 B7R0.10 CCC(=O)C(=O)CC H41459 [0,2,0,0,0,0|1,0,1]=4 382 B7R0.10 CCC(=O)N(C)OC M40411 [0,2,0,0,0,0|2,0,0]=4 383 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,2,0,0,0,0|1,0,0]=3 384 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,2,0,0,0,0|1,0,0]=3 385 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,2,0,0,0,0|0,0,2]=4 386 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,2,0,0,0,0|1,0,0]=3 387 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,2,0,0,0,0|1,0,0]=3 388 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,2,0,0,0,0|1,0,0]=3 389 B7R0.10 CN[C@@H](C)C(=O)OC M62351 [0,2,0,0,0,0|1,0,0]=3 390 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,2,0,0,0,0|2,0,0]=4 391 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,2,0,0,0,0|1,0,0]=3 392 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,2,0,0,0,0|1,0,0]=3 393 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,2,0,0,0,0|2,0,0]=4 394 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,2,0,0,0,0|2,0,0]=4 395 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,2,0,0,0,0|2,0,0]=4 396 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,2,0,0,0,0|2,0,0]=4 397 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,2,0,0,0,0|2,0,0]=4 398 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,2,0,0,0,0|2,0,0]=4 399 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,2,0,0,0,0|1,0,0]=3 400 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,2,0,0,0,0|2,0,0]=4 401 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,2,0,0,0,0|2,0,0]=4 402 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,2,0,0,0,0|2,0,0]=4 403 B7R0.10 CON(C)C(=O)CCl C40248 [0,2,0,0,0,0|2,0,0]=4 404 B7R0.10 NNC(=O)[C@@H](N)CO S39933 [0,2,0,0,0,0|2,0,0]=4 405 B7R0.12 COC(CCBr)OC B40419 [0,2,0,0,0,0|2,0,0]=4 406 B7R0.12 COCC(OC)OC T40436 [0,2,0,0,0,0|2,0,0]=4 407 B7R0.13 C#CC(C)(C)C(=O)O D24314 [0,2,0,0,0,0|0,0,2]=4 408 B7R0.13 C=CC(C)(C)C(=O)O D37320 [0,2,0,0,0,0|0,0,2]=4 409 B7R0.13 CC(=O)C(C)(C)C#N D9183 [0,2,0,0,0,0|1,0,1]=4 410 B7R0.13 CC(C)(C#N)C(=O)O C62304 [0,2,0,0,0,0|1,0,1]=4 411 B7R0.13 CC(C)(CF)C(=O)O F41272 [0,2,0,0,0,0|1,0,0]=3 412 B7R0.13 CC(C)(CN)C(N)=O A12146 [0,2,0,0,0,0|1,0,0]=3 413 B7R0.13 CC(C)(CO)C(=O)O H68365 [0,2,0,0,0,0|1,0,0]=3 414 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [0,2,0,0,0,0|0,0,0]=2 415 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [0,2,0,0,0,0|0,0,0]=2 416 B7R0.13 C[C@@](N)(CO)C(=O)O M36868 [0,2,0,0,0,0|1,0,0]=3 417 B7R0.13 C[C@](N)(CO)C(=O)O A32019 [0,2,0,0,0,0|1,0,0]=3 418 B7R0.13 C[C@](O)(CBr)C(=O)O B40235 [0,2,0,0,0,0|1,0,0]=3 419 B7R0.13 NCC(F)(F)C(=O)O A62796 [0,2,0,0,0,0|2,0,0]=4 420 B7R0.13 NCC(F)(F)C(=O)O A67336 [0,2,0,0,0,0|2,0,0]=4 421 B7R0.15 CCC(CC)C(=O)[O-] M43580 [0,2,0,0,0,0|0,0,0]=2 422 B7R0.15 CC[C@@H](CO)C(C)C E43948 [0,2,0,0,0,0|0,0,2]=4 423 B7R0.15 COC(OC)[C@H](C)Br B4889 [0,2,0,0,0,0|2,0,0]=4 424 B7R0.15 O=C(O)C(CBr)CBr B40213 [0,2,0,0,0,0|1,0,0]=3 425 B7R0.15 O=C(O)C(CS)CS M67176 [0,2,0,0,0,0|1,0,0]=3 426 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,2,0,0,0,0|1,0,1]=4 427 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,2,0,0,0,0|1,0,0]=3 428 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,2,0,0,0,0|1,0,0]=3 429 B7R0.16 CC(C)[C@H](N)C(=N)O V67982 [0,2,0,0,0,0|1,0,1]=4 430 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,2,0,0,0,0|1,0,0]=3 431 B7R0.16 CC(O)C(N)C(=O)O T61081 [0,2,0,0,0,0|1,0,0]=3 432 B7R0.16 C[C@@H](O)[C@@H](N)C(=O)O A67434 [0,2,0,0,0,0|1,0,0]=3 433 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O A40309 [0,2,0,0,0,0|1,0,0]=3 434 B7R0.16 C[C@H](O)[C@@H](N)C(=O)O A68604 [0,2,0,0,0,0|1,0,0]=3 435 B7R0.18 CCC(Br)(CC)CC B43899 [0,2,0,0,0,0|1,0,1]=4 436 B5R1.2 BrC1CCC1 B23687 [1,0,0,1,0,0|1,0,0]=3 437 B5R1.2 BrC1CNC1 B13326 [1,0,0,1,0,0|2,0,0]=4 438 B5R1.2 BrC1COC1 B5688 [1,0,0,1,0,0|2,0,0]=4 439 B5R1.2 CC1CNC1 M1321 [1,0,0,1,0,0|1,0,1]=4 440 B5R1.2 C[C@H]1CCN1 M29512 [1,0,0,1,0,0|1,0,0]=3 441 B5R1.2 ClC1CNC1 C1323 [1,0,0,1,0,0|2,0,0]=4 442 B5R1.2 ClC1COC1 C8470 [1,0,0,1,0,0|2,0,0]=4 443 B5R1.2 FC1CNC1 F5255 [1,0,0,1,0,0|2,0,0]=4 444 B5R1.2 IC1CCC1 I23424 [1,0,0,1,0,0|1,0,0]=3 445 B5R1.2 IC1CNC1 I13327 [1,0,0,1,0,0|2,0,0]=4 446 B5R1.2 IC1COC1 I5689 [1,0,0,1,0,0|2,0,0]=4 447 B5R1.2 NC1CCC1 C60561 [1,0,0,1,0,0|1,0,0]=3 448 B5R1.2 NC1CNC1 A5482 [1,0,0,1,0,0|2,0,0]=4 449 B5R1.2 NC1COC1 O5613 [1,0,0,1,0,0|2,0,0]=4 450 B5R1.2 NC1CSC1 T6025 [1,0,0,1,0,0|2,0,0]=4 451 B5R1.2 O=C1CCC1 C8674 [1,0,0,1,0,0|0,0,1]=3 452 B5R1.2 O=C1CNC1 A1318 [1,0,0,1,0,0|1,0,1]=4 453 B5R1.2 O=C1COC1 O4015 [1,0,0,1,0,0|1,0,1]=4 454 B5R1.2 O=C1CSC1 T6026 [1,0,0,1,0,0|1,0,1]=4 455 B5R1.2 OC1CNC1 H2864 [1,0,0,1,0,0|1,0,1]=4 456 B5R1.2 OC1COC1 O5686 [1,0,0,1,0,0|1,0,1]=4 457 B5R1.2 SC1CNC1 A11453 [1,0,0,1,0,0|1,1,0]=4 458 B5R1.2 SC1COC1 O8471 [1,0,0,1,0,0|1,1,0]=4 459 B5R1.2 [Mg+]C1CCC1 P5028 [1,0,0,1,0,0|1,0,0]=3 460 B5R1.3 BrCC1CC1 C2498 [1,0,0,1,0,0|1,0,1]=4 461 B5R1.3 CNC1CC1 M1319 [1,0,0,1,0,0|1,0,1]=4 462 B5R1.3 CNC1CC1 M14718 [1,0,0,1,0,0|1,0,1]=4 463 B5R1.3 ClC[C@@H]1CO1 E10841 [1,0,0,1,0,0|1,0,1]=4 464 B5R1.3 ClC[C@H]1CO1 E10840 [1,0,0,1,0,0|1,0,1]=4 465 B5R1.3 NNC1CC1 C19179 [1,0,0,1,0,0|2,0,0]=4 466 B5R1.3 NNC1CC1 C32080 [1,0,0,1,0,0|2,0,0]=4 467 B5R1.3 O=CC1CC1 C20058 [1,0,0,1,0,0|0,0,0]=2 468 B5R1.3 OC[C@@H]1CO1 X39872 [1,0,0,1,0,0|1,0,1]=4 469 B5R1.3 OC[C@H]1CO1 X60516 [1,0,0,1,0,0|1,0,1]=4 470 B5R1.4 C[C@@H]1C[C@H]1N M40340 [1,0,0,1,0,0|1,0,0]=3 471 B5R1.4 N[C@@H]1C[C@H]1F F32136 [1,0,0,1,0,0|2,0,0]=4 472 B5R1.5 CC1(Br)CC1 B29865 [1,0,0,1,0,0|1,0,0]=3 473 B5R1.5 CC1(N)CC1 M13330 [1,0,0,1,0,0|1,0,0]=3 474 B5R1.5 CC1(O)CC1 M22890 [1,0,0,1,0,0|0,0,1]=3 475 B5R1.1 C1=CCNC1 D40328 [1,0,0,1,0,0|2,0,0]=4 476 B5R1.1 C1CNNC1 P39938 [1,0,0,1,0,0|2,0,0]=4 477 B7R1.1 BrCC1=CCCC1 B7551 [0,1,0,1,0,0|1,0,1]=4 478 B7R1.1 BrCC1CCCC1 B23399 [0,1,0,1,0,0|1,0,1]=4 479 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,1,0,1,0,0|1,0,1]=4 480 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,1,0,1,0,0|0,0,2]=4 481 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,1,0,1,0,0|1,0,1]=4 482 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,1,0,1,0,0|1,0,1]=4 483 B7R1.1 CC[C@H]1CCNC1 E22542 [0,1,0,1,0,0|1,0,1]=4 484 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,1,0,1,0,0|0,0,2]=4 485 B7R1.1 CN[C@H]1CCOC1 M1156 [0,1,0,1,0,0|0,0,2]=4 486 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,1,0,1,0,0|1,0,1]=4 487 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,1,0,1,0,0|1,0,1]=4 488 B7R1.1 CO[C@H]1CCNC1 M1159 [0,1,0,1,0,0|1,0,1]=4 489 B7R1.1 CO[C@H]1CCNC1 M7459 [0,1,0,1,0,0|1,0,1]=4 490 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,1,0,1,0,0|1,0,1]=4 491 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,1,0,1,0,0|1,0,1]=4 492 B7R1.1 FC[C@H]1CCCN1 F12954 [0,1,0,1,0,0|1,0,1]=4 493 B7R1.1 IC[C@H]1CCOC1 I12451 [0,1,0,1,0,0|0,0,2]=4 494 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,1,0,1,0,0|1,0,1]=4 495 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,1,0,1,0,0|1,0,1]=4 496 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,1,0,1,0,0|1,0,1]=4 497 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,1,0,1,0,0|1,0,1]=4 498 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,1,0,1,0,0|1,0,1]=4 499 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,1,0,1,0,0|1,0,1]=4 500 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,1,0,1,0,0|1,0,1]=4 501 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,1,0,1,0,0|1,0,1]=4 502 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,1,0,1,0,0|1,0,1]=4 503 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,1,0,1,0,0|1,0,1]=4 504 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,1,0,1,0,0|1,0,1]=4 505 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,1,0,1,0,0|1,0,1]=4 506 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,1,0,1,0,0|1,0,1]=4 507 B7R1.1 NCC1CCCC1 C5395 [0,1,0,1,0,0|1,0,1]=4 508 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,1,0,1,0,0|1,0,1]=4 509 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,1,0,1,0,0|1,0,1]=4 510 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,1,0,1,0,0|0,0,2]=4 511 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,1,0,1,0,0|0,0,2]=4 512 B7R1.1 NC[C@H]1CCCN1 A60830 [0,1,0,1,0,0|1,0,1]=4 513 B7R1.1 NC[C@H]1CCOC1 T10324 [0,1,0,1,0,0|0,0,2]=4 514 B7R1.1 NC[C@H]1CCOC1 T1153 [0,1,0,1,0,0|0,0,2]=4 515 B7R1.1 NC[C@H]1CCOC1 T1674 [0,1,0,1,0,0|0,0,2]=4 516 B7R1.1 NC[C@H]1CCOC1 T7262 [0,1,0,1,0,0|0,0,2]=4 517 B7R1.1 NNC1CCCC1 C22580 [0,1,0,1,0,0|2,0,0]=4 518 B7R1.1 O=CC1=CCCC1 C69466 [0,1,0,1,0,0|0,0,1]=3 519 B7R1.1 O=CC1CCCC1 C25963 [0,1,0,1,0,0|0,0,0]=2 520 B7R1.1 OCC1CC=CC1 C11867 [0,1,0,1,0,0|2,0,0]=4 521 B7R1.1 OCC1CCCC1 C23297 [0,1,0,1,0,0|0,0,2]=4 522 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,1,0,1,0,0|0,0,2]=4 523 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,1,0,1,0,0|0,0,2]=4 524 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,1,0,1,0,0|0,0,2]=4 525 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,1,0,1,0,0|0,0,2]=4 526 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,1,0,1,0,0|0,0,2]=4 527 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,1,0,1,0,0|0,0,2]=4 528 B7R1.1 OC[C@H]1CCCN1 P14128 [0,1,0,1,0,0|0,0,2]=4 529 B7R1.1 OC[C@H]1CCCN1 P67898 [0,1,0,1,0,0|0,0,2]=4 530 B7R1.1 OC[C@H]1CCCO1 T67581 [0,1,0,1,0,0|0,0,2]=4 531 B7R1.1 OC[C@H]1CCCO1 T68627 [0,1,0,1,0,0|0,0,2]=4 532 B7R1.1 OC[C@H]1CCNC1 H1594 [0,1,0,1,0,0|0,0,2]=4 533 B7R1.1 OC[C@H]1CCNC1 H7915 [0,1,0,1,0,0|0,0,2]=4 534 B7R1.1 OC[C@H]1CCNC1 P1155 [0,1,0,1,0,0|0,0,2]=4 535 B7R1.1 OC[C@H]1CCNC1 P41328 [0,1,0,1,0,0|0,0,2]=4 536 B7R1.1 OC[C@H]1CCNC1 P6954 [0,1,0,1,0,0|0,0,2]=4 537 B7R1.1 OC[C@H]1CCOC1 T0396 [0,1,0,1,0,0|0,0,2]=4 538 B7R1.1 OC[C@H]1CCOC1 T0398 [0,1,0,1,0,0|0,0,2]=4 539 B7R1.2 CC1=CC(=O)CC1 M22783 [0,1,0,1,0,0|0,0,1]=3 540 B7R1.2 CC1=CC(=O)CO1 M41117 [0,1,0,1,0,0|1,0,1]=4 541 B7R1.2 CN1CCC(=O)C1 M5444 [0,1,0,1,0,0|1,0,0]=3 542 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,1,0,1,0,0|1,0,1]=4 543 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,1,0,1,0,0|1,0,0]=3 544 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,1,0,1,0,0|1,0,0]=3 545 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,1,0,1,0,0|2,0,0]=4 546 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,1,0,1,0,0|0,0,0]=2 547 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,1,0,1,0,0|1,0,0]=3 548 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,1,0,1,0,0|2,0,0]=4 549 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,1,0,1,0,0|2,0,0]=4 550 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,1,0,1,0,0|2,0,0]=4 551 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,1,0,1,0,0|2,0,0]=4 552 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,1,0,1,0,0|2,0,0]=4 553 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,1,0,1,0,0|2,0,0]=4 554 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,1,0,1,0,0|2,0,0]=4 555 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,1,0,1,0,0|2,0,0]=4 556 B7R1.2 O=C1CCC(=O)C1 C13761 [0,1,0,1,0,0|1,0,1]=4 557 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,1,0,1,0,0|1,0,0]=3 558 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,1,0,1,0,0|2,0,0]=4 559 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,1,0,1,0,0|2,0,0]=4 560 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,1,0,1,0,0|2,0,0]=4 561 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,1,0,1,0,0|2,0,0]=4 562 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,1,0,1,0,0|2,0,0]=4 563 B7R1.3 CC1=CCCNC1 M12102 [0,1,0,1,0,0|1,0,1]=4 564 B7R1.3 CC1=CCNCC1 M26826 [0,1,0,1,0,0|1,0,1]=4 565 B7R1.3 CC1SCCCS1 M63108 [0,1,0,1,0,0|2,0,0]=4 566 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,1,0,1,0,0|1,0,1]=4 567 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,1,0,1,0,0|1,0,1]=4 568 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,1,0,1,0,0|1,0,1]=4 569 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,1,0,1,0,0|1,0,1]=4 570 B7R1.3 C[C@@H]1COCCN1 M26868 [0,1,0,1,0,0|0,0,2]=4 571 B7R1.3 C[C@@H]1COCCN1 M9009 [0,1,0,1,0,0|0,0,2]=4 572 B7R1.3 C[C@H]1CCCCN1 M43475 [0,1,0,1,0,0|1,0,1]=4 573 B7R1.3 C[C@H]1CNCCN1 M10717 [0,1,0,1,0,0|1,0,1]=4 574 B7R1.3 C[C@H]1CNCCO1 M15401 [0,1,0,1,0,0|1,0,1]=4 575 B7R1.3 C[C@H]1CNCCO1 M15402 [0,1,0,1,0,0|1,0,1]=4 576 B7R1.3 C[C@H]1CNCCO1 M29509 [0,1,0,1,0,0|1,0,1]=4 577 B7R1.3 C[C@H]1CNCCO1 M41323 [0,1,0,1,0,0|1,0,1]=4 578 B7R1.3 C[C@H]1COCCN1 M23631 [0,1,0,1,0,0|0,0,2]=4 579 B7R1.3 C[C@H]1COCCN1 M41324 [0,1,0,1,0,0|0,0,2]=4 580 B7R1.3 C[C@H]1COCCN1 M8924 [0,1,0,1,0,0|0,0,2]=4 581 B7R1.4 CN1CCCC1=S M6872 [0,1,0,1,0,0|1,1,0]=4 582 B7R1.4 CN1CCN=C1N M40301 [0,1,0,1,0,0|2,0,0]=4 583 B7R1.4 CN1CCNC1=O M40241 [0,1,0,1,0,0|1,0,0]=3 584 B7R1.4 CN1N=CCC1=O M40183 [0,1,0,1,0,0|1,0,1]=4 585 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,1,0,1,0,0|0,0,2]=4 586 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,1,0,1,0,0|0,0,2]=4 587 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,1,0,1,0,0|0,0,0]=2 588 B7R1.4 C[C@H]1CCCC1=O M41458 [0,1,0,1,0,0|0,0,0]=2 589 B7R1.4 C[C@H]1CCNC1=O M41257 [0,1,0,1,0,0|0,0,0]=2 590 B7R1.4 C[C@H]1CCOC1=O M41224 [0,1,0,1,0,0|0,0,0]=2 591 B7R1.4 NN1CCCC1=O A22230 [0,1,0,1,0,0|2,0,0]=4 592 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,1,0,1,0,0|1,0,0]=3 593 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,1,0,1,0,0|1,0,0]=3 594 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,1,0,1,0,0|1,0,0]=3 595 B7R1.4 N[C@H]1CCNC1=O A24294 [0,1,0,1,0,0|1,0,0]=3 596 B7R1.4 N[C@H]1CCOC1=O A40300 [0,1,0,1,0,0|1,0,0]=3 597 B7R1.4 N[C@H]1CCOC1=O A40335 [0,1,0,1,0,0|1,0,0]=3 598 B7R1.4 O=C1CCC=C1Br B3409 [0,1,0,1,0,0|1,0,1]=4 599 B7R1.4 O=C1CCC=C1O H41119 [0,1,0,1,0,0|1,0,1]=4 600 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,1,0,1,0,0|1,0,0]=3 601 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,1,0,1,0,0|1,0,0]=3 602 B7R1.4 O=C1NCC[C@H]1O H40227 [0,1,0,1,0,0|1,0,0]=3 603 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,1,0,1,0,0|1,0,0]=3 604 B7R1.6 C=CCC1CNC1 P20750 [0,1,0,1,0,0|2,0,0]=4 605 B7R1.6 CCNC1COC1 E8452 [0,1,0,1,0,0|0,0,2]=4 606 B7R1.6 CCOC1CNC1 E41322 [0,1,0,1,0,0|1,0,1]=4 607 B7R1.6 CNCC1COC1 M8438 [0,1,0,1,0,0|0,0,2]=4 608 B7R1.6 COCC1CNC1 A0186 [0,1,0,1,0,0|1,0,1]=4 609 B7R1.6 COCC1CNC1 M1326 [0,1,0,1,0,0|1,0,1]=4 610 B7R1.6 COC[C@@H]1CCN1 M11645 [0,1,0,1,0,0|2,0,0]=4 611 B7R1.6 COC[C@@H]1CCN1 M20218 [0,1,0,1,0,0|2,0,0]=4 612 B7R1.6 COC[C@H]1CCN1 M11646 [0,1,0,1,0,0|2,0,0]=4 613 B7R1.6 COC[C@H]1CCN1 M14791 [0,1,0,1,0,0|2,0,0]=4 614 B7R1.6 NCCC1CCC1 C15341 [0,1,0,1,0,0|1,0,1]=4 615 B7R1.6 NNCC1CCC1 C17979 [0,1,0,1,0,0|1,0,1]=4 616 B7R1.6 OCCC1COC1 X6653 [0,1,0,1,0,0|0,0,2]=4 617 B7R1.6 OCC[C@H]1CCO1 X59677 [0,1,0,1,0,0|2,0,0]=4 618 B7R1.8 CN1CC[C@@H]1CN A14392 [0,1,0,1,0,0|1,0,1]=4 619 B7R1.8 CN1CC[C@@H]1CN A14394 [0,1,0,1,0,0|1,0,1]=4 620 B7R1.8 CN1CC[C@H]1CN A14393 [0,1,0,1,0,0|1,0,1]=4 621 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [0,1,0,1,0,0|1,0,1]=4 622 B7R1.8 NCC1CCC1F F59751 [0,1,0,1,0,0|1,0,1]=4 623 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,1,0,0|0,0,0]=2 624 B7R1.8 OCC1CCC1F F60214 [0,1,0,1,0,0|0,0,2]=4 625 B7R1.10 CN1CC(CN)C1 M7239 [0,1,0,1,0,0|1,0,1]=4 626 B7R1.10 CNC1CC(O)C1 M10596 [0,1,0,1,0,0|2,0,0]=4 627 B7R1.10 CNC1CN(C)C1 D11649 [0,1,0,1,0,0|2,0,0]=4 628 B7R1.10 CNC1CN(C)C1 D1346 [0,1,0,1,0,0|2,0,0]=4 629 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [0,1,0,1,0,0|2,0,0]=4 630 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [0,1,0,1,0,0|2,0,0]=4 631 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [0,1,0,1,0,0|2,0,0]=4 632 B7R1.10 COC1CC(N)C1 M0320 [0,1,0,1,0,0|2,0,0]=4 633 B7R1.10 CO[C@H]1C[C@@H](N)C1 SB7404 [0,1,0,1,0,0|2,0,0]=4 634 B7R1.10 CO[C@H]1C[C@H](N)C1 SB7405 [0,1,0,1,0,0|2,0,0]=4 635 B7R1.10 N#CC1CC(=O)C1 X10543 [0,1,0,1,0,0|1,0,1]=4 636 B7R1.10 N#CC1CC(F)C1 F20403 [0,1,0,1,0,0|1,0,1]=4 637 B7R1.10 N#CC1CC(N)C1 A10726 [0,1,0,1,0,0|1,0,1]=4 638 B7R1.10 N#CC1CC(O)C1 H22204 [0,1,0,1,0,0|1,0,1]=4 639 B7R1.10 N#C[C@H]1C[C@@H](O)C1 H7468 [0,1,0,1,0,0|1,0,1]=4 640 B7R1.10 N#C[C@H]1C[C@H](O)C1 H60435 [0,1,0,1,0,0|1,0,1]=4 641 B7R1.10 NC1CC(CO)C1 A0314 [0,1,0,1,0,0|0,0,2]=4 642 B7R1.10 NC1CC(CO)C1 A12367 [0,1,0,1,0,0|0,0,2]=4 643 B7R1.10 NCC1CC(=O)C1 SB7355 [0,1,0,1,0,0|1,0,0]=3 644 B7R1.10 NCC1CC(O)C1 A12368 [0,1,0,1,0,0|1,0,1]=4 645 B7R1.10 NCC1CC(O)C1 A7528 [0,1,0,1,0,0|1,0,1]=4 646 B7R1.10 NC[C@H]1C[C@@H](F)C1 F14480 [0,1,0,1,0,0|1,0,1]=4 647 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [0,1,0,1,0,0|1,0,1]=4 648 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [0,1,0,1,0,0|1,0,1]=4 649 B7R1.10 NC[C@H]1C[C@H](F)C1 F11496 [0,1,0,1,0,0|1,0,1]=4 650 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [0,1,0,1,0,0|1,0,1]=4 651 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [0,1,0,1,0,0|1,0,1]=4 652 B7R1.10 N[C@H]1C[C@@H](CO)C1 A12639 [0,1,0,1,0,0|0,0,2]=4 653 B7R1.10 N[C@H]1C[C@@H](CO)C1 SB7650 [0,1,0,1,0,0|0,0,2]=4 654 B7R1.10 N[C@H]1C[C@H](CO)C1 A12640 [0,1,0,1,0,0|0,0,2]=4 655 B7R1.10 N[C@H]1C[C@H](CO)C1 SB7651 [0,1,0,1,0,0|0,0,2]=4 656 B7R1.10 O=C1CC(CBr)C1 B11904 [0,1,0,1,0,0|1,0,0]=3 657 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,1,0,0|1,0,0]=3 658 B7R1.10 OCC1CC(Cl)C1 C11852 [0,1,0,1,0,0|0,0,2]=4 659 B7R1.10 OCC1CC(F)C1 F31669 [0,1,0,1,0,0|0,0,2]=4 660 B7R1.10 OCC1CC(O)C1 H40382 [0,1,0,1,0,0|0,0,2]=4 661 B7R1.21 CC1(CCN)N=N1 M63685 [0,1,0,1,0,0|2,0,0]=4 662 B7R1.21 CC1(CCO)CC1 M22121 [0,1,0,1,0,0|0,0,2]=4 663 B7R1.21 CC1(CCO)N=N1 M32161 [0,1,0,1,0,0|2,0,0]=4 664 B7R1.25 C#CC1(C)COC1 E8355 [0,1,0,1,0,0|1,0,1]=4 665 B7R1.25 C=CC1(O)COC1 V13477 [0,1,0,1,0,0|2,0,0]=4 666 B7R1.25 CC1(C#N)CNC1 C7743 [0,1,0,1,0,0|1,0,1]=4 667 B7R1.25 CC1(C#N)COC1 M8305 [0,1,0,1,0,0|1,0,1]=4 668 B7R1.25 CC1(C=O)COC1 M6233 [0,1,0,1,0,0|0,0,0]=2 669 B7R1.25 CC1(CBr)COC1 B0548 [0,1,0,1,0,0|1,0,1]=4 670 B7R1.25 CC1(CCl)COC1 C8473 [0,1,0,1,0,0|1,0,1]=4 671 B7R1.25 CC1(CI)COC1 I1186 [0,1,0,1,0,0|1,0,1]=4 672 B7R1.25 CC1(CN)CCC1 M1145 [0,1,0,1,0,0|1,0,1]=4 673 B7R1.25 CC1(CN)CCC1 M14421 [0,1,0,1,0,0|1,0,1]=4 674 B7R1.25 CC1(CN)CNC1 M7823 [0,1,0,1,0,0|1,0,1]=4 675 B7R1.25 CC1(CN)COC1 A5692 [0,1,0,1,0,0|1,0,1]=4 676 B7R1.25 CC1(CO)CNC1 M29667 [0,1,0,1,0,0|0,0,2]=4 677 B7R1.25 CC1(CO)COC1 M6652 [0,1,0,1,0,0|0,0,2]=4 678 B7R1.25 CC1(CO)CSC1 M1298 [0,1,0,1,0,0|0,0,2]=4 679 B7R1.25 CC1(CS)COC1 M8472 [0,1,0,1,0,0|0,1,1]=4 680 B7R1.25 CCC1(N)CNC1 A14400 [0,1,0,1,0,0|1,0,1]=4 681 B7R1.25 CCC1(N)COC1 E7159 [0,1,0,1,0,0|0,0,2]=4 682 B7R1.25 CCC1(O)CNC1 E11455 [0,1,0,1,0,0|1,0,1]=4 683 B7R1.25 CCC1(O)COC1 E40380 [0,1,0,1,0,0|0,0,2]=4 684 B7R1.25 CNC1(C)COC1 D31259 [0,1,0,1,0,0|2,0,0]=4 685 B7R1.25 CNC1(C)COC1 D8492 [0,1,0,1,0,0|2,0,0]=4 686 B7R1.25 COC1(C)CNC1 M0268 [0,1,0,1,0,0|2,0,0]=4 687 B7R1.25 NC1(CO)CCC1 A10610 [0,1,0,1,0,0|0,0,2]=4 688 B7R1.25 NC1(CO)CCC1 A13167 [0,1,0,1,0,0|0,0,2]=4 689 B7R1.25 NCC1(F)CCC1 F19982 [0,1,0,1,0,0|1,0,1]=4 690 B7R1.25 NCC1(O)CCC1 A21927 [0,1,0,1,0,0|1,0,1]=4 691 B7R1.27 CC[C@]1(C)ON1C E65451 [0,1,0,1,0,0|1,0,1]=4 692 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,1,0,1,0,0|0,0,0]=2 693 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,1,0,1,0,0|0,0,0]=2 694 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,1,0,1,0,0|0,0,0]=2 695 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,1,0,1,0,0|0,0,0]=2 696 B7R1.12 O=C(O)C1CC1F F20460 [0,1,0,1,0,0|1,0,0]=3 697 B7R1.12 O=C(O)[C@@H]1C[C@@H]1F F8695 [0,1,0,1,0,0|1,0,0]=3 698 B7R1.12 O=C(O)[C@@H]1C[C@@H]1I K67056 [0,1,0,1,0,0|1,0,0]=3 699 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F18516 [0,1,0,1,0,0|1,0,0]=3 700 B7R1.12 O=C(O)[C@@H]1C[C@H]1F F21701 [0,1,0,1,0,0|1,0,0]=3 701 B7R1.12 O=C(O)[C@H]1C[C@@H]1F F21702 [0,1,0,1,0,0|1,0,0]=3 702 B7R1.17 CC1(C)CCC1=O D60316 [0,1,0,1,0,0|0,0,0]=2 703 B7R1.17 CC1(C)CC[C@@H]1O D60329 [0,1,0,1,0,0|0,0,2]=4 704 B7R1.18 CC(=O)C1CCC1 C22926 [0,1,0,1,0,0|0,0,0]=2 705 B7R1.18 CC(=O)C1CNC1 A18542 [0,1,0,1,0,0|1,0,0]=3 706 B7R1.18 C[C@H](N)C1CCC1 C29990 [0,1,0,1,0,0|1,0,1]=4 707 B7R1.18 N=C(N)C1CCC1 C11379 [0,1,0,1,0,0|1,0,0]=3 708 B7R1.18 NC(=O)C1CCC1 C36760 [0,1,0,1,0,0|0,0,0]=2 709 B7R1.18 NC(=O)C1CNC1 A0189 [0,1,0,1,0,0|1,0,0]=3 710 B7R1.18 NC(=O)C1CNC1 A10232 [0,1,0,1,0,0|1,0,0]=3 711 B7R1.18 O=C(O)C1CCC1 C39184 [0,1,0,1,0,0|0,0,0]=2 712 B7R1.18 O=C(O)C1CNC1 A0022 [0,1,0,1,0,0|1,0,0]=3 713 B7R1.18 O=C(O)C1CNC1 A62344 [0,1,0,1,0,0|1,0,0]=3 714 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,1,0,1,0,0|1,0,0]=3 715 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,1,0,1,0,0|1,0,0]=3 716 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,1,0,1,0,0|1,0,0]=3 717 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,1,0,1,0,0|1,0,0]=3 718 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,1,0,1,0,0|1,0,0]=3 719 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,1,0,1,0,0|1,0,0]=3 720 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,1,0,1,0,0|1,0,0]=3 721 B7R1.18 OB(O)C1CCC1 C38656 [0,1,0,1,0,0|1,0,1]=4 722 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [0,1,0,1,0,0|0,0,0]=2 723 B7R1.19 CC1(C(=O)O)CC1 M10729 [0,1,0,1,0,0|0,0,0]=2 724 B7R1.19 CC1(C(N)=O)CC1 M41258 [0,1,0,1,0,0|0,0,0]=2 725 B7R1.19 NC(=O)C1(N)CC1 A29804 [0,1,0,1,0,0|1,0,0]=3 726 B7R1.19 NC1(C(=O)O)CC1 A7850 [0,1,0,1,0,0|1,0,0]=3 727 B7R1.19 O=C(O)C1(Br)CC1 B40170 [0,1,0,1,0,0|1,0,0]=3 728 B7R1.19 O=C(O)C1(F)CC1 F32122 [0,1,0,1,0,0|1,0,0]=3 729 B7R1.19 O=C(O)C1(O)CC1 H13746 [0,1,0,1,0,0|1,0,0]=3 730 B7R1.23 CC1(C)C[C@@H]1C#N D43322 [0,1,0,1,0,0|1,0,1]=4 731 B7R1.14 CC1(C)CCCN1 D24602 [0,1,0,1,0,0|2,0,0]=4 732 B7R1.14 CC1(C)CCNC1 D1149 [0,1,0,1,0,0|1,0,1]=4 733 B7R1.14 CC1(O)CCCC1 M41551 [0,1,0,1,0,0|1,0,1]=4 734 B7R1.14 C[C@@]1(O)CCNC1 M23456 [0,1,0,1,0,0|1,0,1]=4 735 B7R1.14 C[C@]1(F)CCNC1 F29656 [0,1,0,1,0,0|1,0,1]=4 736 B7R1.14 C[C@]1(N)CCOC1 A11772 [0,1,0,1,0,0|0,0,2]=4 737 B7R1.14 C[C@]1(O)CCNC1 H0280 [0,1,0,1,0,0|1,0,1]=4 738 B7R1.14 C[C@]1(O)CCNC1 M10113 [0,1,0,1,0,0|1,0,1]=4 739 B7R1.14 C[C@]1(O)CCNC1 M18574 [0,1,0,1,0,0|1,0,1]=4 740 B7R1.14 C[C@]1(O)CCNC1 M59983 [0,1,0,1,0,0|1,0,1]=4 741 B7R1.29 BrCC1(CBr)CC1 B38356 [0,1,0,1,0,0|1,0,1]=4 742 B7R1.29 C#CC1(CC)CC1 E60068 [0,1,0,1,0,0|1,0,1]=4 743 B7R1.29 C#CC1(CO)CC1 E60229 [0,1,0,1,0,0|1,0,1]=4 744 B7R1.29 N#CC1(CN)CC1 A41360 [0,1,0,1,0,0|1,0,1]=4 745 B7R1.29 N#CC1(CO)CC1 H41165 [0,1,0,1,0,0|1,0,1]=4 746 B7R1.29 OCC1(CO)CC1 B3821 [0,1,0,1,0,0|0,0,2]=4 747 B7R2.11 C1NC2CC1C2 A10797 [0,0,0,2,0,0|1,0,1]=4 748 B7R2.11 C1NC2CC1C2 A6593 [0,0,0,2,0,0|1,0,1]=4 749 B7R2.13 C1CC2CC2N1 A13958 [0,0,0,2,0,0|1,0,1]=4 750 B7R2.13 C1CC2CC2N1 A25593 [0,0,0,2,0,0|1,0,1]=4 751 B7R2.13 C1NCC2CC12 A13737 [0,0,0,2,0,0|1,0,1]=4 752 B7R2.13 C1NCC2CC12 A1579 [0,0,0,2,0,0|1,0,1]=4 753 B7R2.16 C1CC12CNC2 A21417 [0,0,0,2,0,0|1,0,1]=4