0 B5R0.1 C=C(C)C[Mg]Cl 7968AJ [0,0,0,0,0,0|4,0,0]=4 1 B5R0.1 CC(=O)CCS U742 [0,0,0,0,0,0|2,0,0]=2 2 B5R0.1 CC(Cl)CCBr 7250AF [0,0,0,0,0,0|3,0,1]=4 3 B5R0.1 CCCC(=O)[O-] M135 [0,0,0,0,0,0|1,0,0]=1 4 B5R0.1 CCCC(C)I 7327AF [0,0,0,0,0,0|2,0,1]=3 5 B5R0.1 CCNC(=N)N 6913AB [0,0,0,0,0,0|2,0,0]=2 6 B5R0.1 CCNC(=N)N S797 [0,0,0,0,0,0|2,0,0]=2 7 B5R0.1 CCO[PH](C)=O 8330AA [0,0,0,0,0,0|3,0,0]=3 8 B5R0.1 CN(C)CCCl X8859 [0,0,0,0,0,0|4,0,0]=4 9 B5R0.1 N=C(N)CCO 5428AA [0,0,0,0,0,0|2,0,0]=2 10 B5R0.1 NC(=O)NC=O 6851AF [0,0,0,0,0,0|2,0,1]=3 11 B4R0.1 C=C(Br)CC 7231AF [1,0,0,0,0,0|2,0,0]=3 12 B4R0.1 CC(=O)CN W5227 [1,0,0,0,0,0|2,0,0]=3 13 B4R0.1 CC(=O)OS V0446 [1,0,0,0,0,0|3,0,0]=4 14 B4R0.1 CCC(=O)F 3262AE [1,0,0,0,0,0|1,0,0]=2 15 B4R0.1 CCC(=O)[O-] 7037AF [1,0,0,0,0,0|1,0,0]=2 16 B4R0.1 CC[C@H](C)N 4197AL [1,0,0,0,0,0|1,0,1]=3 17 B4R0.1 CNC(=S)[S-] 9903AF [1,0,0,0,0,0|2,1,0]=4 18 B4R0.1 COC(=N)N V1401 [1,0,0,0,0,0|2,0,0]=3 19 B4R0.1 N=C(N)NN 8295AF [1,0,0,0,0,0|3,0,0]=4 20 B4R0.1 NC(=O)CS 9295AE [1,0,0,0,0,0|1,0,0]=2 21 B4R0.1 NCC(=O)[O-] 7015AH [1,0,0,0,0,0|2,0,0]=3 22 B4R0.1 O=C([O-])CI U791 [1,0,0,0,0,0|2,0,0]=3 23 B4R0.1 O=C([O-])CS Z1770 [1,0,0,0,0,0|2,0,0]=3 24 B4R0.1 O=C([O-])O[AlH3] X3551 [1,0,0,0,0,0|3,0,0]=4 25 B4R0.1 O=CC(=O)[O-] 6894AF [1,0,0,0,0,0|2,0,1]=4 26 B4R0.1 O=S([O-])CO 5143AF [1,0,0,0,0,0|3,0,0]=4 27 B4R0.2 C=CCON 7592AH [1,0,0,0,0,0|1,0,2]=4 28 B4R0.2 CCCC[NH3+] 7121AF [1,0,0,0,0,0|0,0,2]=3 29 B4R0.2 CCCC[O-] S459 [1,0,0,0,0,0|0,0,2]=3 30 B4R0.2 CCC[Mg]Cl 9030AJ [1,0,0,0,0,0|2,0,0]=3 31 B4R0.2 CCNCC Y1600 [1,0,0,0,0,0|2,0,1]=4 32 B4R0.2 CCSC#N 7036AF [1,0,0,0,0,0|1,0,2]=4 33 B4R0.2 CC\C=C\Br 3495AB [1,0,0,0,0,0|1,0,1]=3 34 B4R0.2 C\C=C\CN Q938 [1,0,0,0,0,0|0,0,3]=4 35 B4R0.2 FCCCF Y3147 [1,0,0,0,0,0|2,0,1]=4 36 B4R0.2 NOCCO 0128AP [1,0,0,0,0,0|2,0,0]=3 37 B4R0.2 O=CCCF 2017AC [1,0,0,0,0,0|1,0,0]=2 38 B6R0.1 C=CC(=O)COC S897 [0,1,0,0,0,0|2,0,0]=3 39 B6R0.1 CC(CN)CCN 7844AA [0,1,0,0,0,0|2,0,1]=4 40 B6R0.1 CCCC(Br)CBr R241 [0,1,0,0,0,0|2,0,1]=4 41 B6R0.1 CCCC(N)CC 7574AF [0,1,0,0,0,0|1,0,1]=3 42 B6R0.1 CCC[C@@H](C)CO N835 [0,1,0,0,0,0|1,0,2]=4 43 B6R0.1 CCOC(=O)CF C411 [0,1,0,0,0,0|2,0,0]=3 44 B6R0.1 CC[C@@H](N)COC 8544AH [0,1,0,0,0,0|2,0,1]=4 45 B6R0.1 CC[C@H](N)COC 8568AH [0,1,0,0,0,0|2,0,1]=4 46 B6R0.1 COC(=O)CCN 5700AB [0,1,0,0,0,0|2,0,0]=3 47 B6R0.2 CC(=N)CC(C)=O 7397AF [0,1,0,0,0,0|1,0,1]=3 48 B6R0.2 CC(=O)C[N+](=O)[O-] Z2334 [0,1,0,0,0,0|2,0,1]=4 49 B6R0.2 CC(=O)\C=C(\C)[O-] 7375AF [0,1,0,0,0,0|1,0,2]=4 50 B6R0.2 CC(C)CC(=O)Cl V2138 [0,1,0,0,0,0|1,0,0]=2 51 B6R0.2 CC(C)CC(=O)[O-] 7399AF [0,1,0,0,0,0|1,0,0]=2 52 B6R0.2 CC(C)CC(=O)[O-] 7400AF [0,1,0,0,0,0|1,0,0]=2 53 B6R0.2 CC(C)C[C@@H](C)O 7431AJ [0,1,0,0,0,0|1,0,2]=4 54 B6R0.2 CC(C)SC(=N)N 2036AH [0,1,0,0,0,0|2,0,0]=3 55 B6R0.2 C[C@H](O)CC(=O)O Z4946 [0,1,0,0,0,0|1,0,0]=2 56 B6R0.2 C\C(N)=C\C(N)=O 7954AA [0,1,0,0,0,0|0,0,2]=3 57 B6R0.2 O=C(Cl)CC(=O)Cl 8788AJ [0,1,0,0,0,0|2,0,1]=4 58 B6R0.3 C=C(C)C(C)CC 7776AF [0,1,0,0,0,0|2,0,0]=3 59 B6R0.3 C=CC(N)C(=O)O 7462AB [0,1,0,0,0,0|1,0,2]=4 60 B6R0.3 C=C[C@H](N)C(=O)O 1008AC [0,1,0,0,0,0|1,0,2]=4 61 B6R0.3 CC[C@H](C)C(=O)O Z9667 [0,1,0,0,0,0|1,0,0]=2 62 B6R0.3 COC(=O)C(N)=O L906 [0,1,0,0,0,0|1,0,1]=3 63 B6R0.3 O=C(O)C(Br)CF 5339AD [0,1,0,0,0,0|2,0,0]=3 64 B6R0.4 CC(C)=CCCBr 1398AB [0,1,0,0,0,0|2,0,1]=4 65 B6R0.4 CC\C=C\C(C)=O Y8265 [0,1,0,0,0,0|1,0,1]=3 66 B6R0.4 CN(C)CCCBr 7713AB [0,1,0,0,0,0|3,0,0]=4 67 B6R0.4 CNCCC(C)C 5617AB [0,1,0,0,0,0|2,0,1]=4 68 B6R0.4 CNCC[C@H](C)N 9254AH [0,1,0,0,0,0|1,0,1]=3 69 B6R0.4 NCCNC(=S)S 7081AF [0,1,0,0,0,0|2,1,0]=4 70 B6R0.4 O=CNCC(=O)O Y4936 [0,1,0,0,0,0|2,0,1]=4 71 B6R0.5 CCCC(C)(C)N 5068AE [0,1,0,0,0,0|1,0,1]=3 72 B6R0.5 CCOP(=O)(O)O 5203AD [0,1,0,0,0,0|3,0,0]=4 73 B6R0.5 CCOP(C)(=O)O X3731 [0,1,0,0,0,0|3,0,0]=4 74 B6R0.5 CCOS(=O)(=O)[O-] 5297AF [0,1,0,0,0,0|3,0,0]=4 75 B6R0.5 CCOS(=O)(=O)[O-] 5298AF [0,1,0,0,0,0|3,0,0]=4 76 B6R1.2 N=C1SCCS1 S757 [0,0,0,1,0,0|1,1,1]=4 77 B6R1.2 NC1=NCCS1 D810 [0,0,0,1,0,0|1,1,0]=3 78 B6R1.2 NC1CCCC1 0142AP [0,0,0,1,0,0|1,0,1]=3 79 B6R1.2 NN1CCCC1 9623AB [0,0,0,1,0,0|2,0,0]=3 80 B6R1.2 O=C1C=CNC1 8696AB [0,0,0,1,0,0|2,0,1]=4 81 B6R1.2 O=C1CC=CN1 2602AB [0,0,0,1,0,0|0,0,2]=3 82 B6R1.2 O=C1CCNC1 R079 [0,0,0,1,0,0|2,0,0]=3 83 B6R1.2 O=C1CS[Ca]O1 7318AL [0,0,0,1,0,0|3,0,0]=4 84 B6R1.2 OC1CCCO1 5572AJ [0,0,0,1,0,0|1,0,2]=4 85 B6R1.3 CCCC1CN1 Y8874 [0,0,0,1,0,0|1,0,1]=3 86 B6R1.5 CN1CC(N)C1 6717AC [0,0,0,1,0,0|2,0,1]=4 87 B6R1.8 C=C1CC1CO Y8583 [0,0,0,1,0,0|3,0,0]=4 88 B6R1.10 C[Si]1(Cl)CCC1 1590AB [0,0,0,1,0,0|2,1,0]=4 89 B6R1.11 CC(N)C1CC1 8215AA [0,0,0,1,0,0|1,0,1]=3 90 B6R1.11 NC(=O)C1CO1 0131AQ [0,0,0,1,0,0|1,0,0]=2 91 B3R0.1 C\C=C/Br 3212AL [2,0,0,0,0,0|1,0,1]=4 92 B3R0.1 C\C=C\Cl 4806AL [2,0,0,0,0,0|1,0,1]=4 93 B3R0.1 N#CCN W1139 [2,0,0,0,0,0|1,0,1]=4 94 B3R0.1 NCCBr 2022AL [2,0,0,0,0,0|1,0,0]=3 95 B3R0.1 NCCF X4686 [2,0,0,0,0,0|1,0,0]=3 96 B3R0.1 NCCN 6877AF [2,0,0,0,0,0|1,0,0]=3 97 B3R0.1 N\C=N\O V0795 [2,0,0,0,0,0|2,0,0]=4 98 B3R0.1 O=CO[Tl] 8298AF [2,0,0,0,0,0|2,0,0]=4 99 B3R0.2 CC(=O)I 7009AL [2,0,0,0,0,0|1,0,0]=3 100 B3R0.2 CC(=O)[O-] 1597AH [2,0,0,0,0,0|1,0,0]=3 101 B3R0.2 CC(=O)[O-] 5296AF [2,0,0,0,0,0|1,0,0]=3 102 B3R0.2 CC(=O)[O-] 6840AF [2,0,0,0,0,0|1,0,0]=3 103 B3R0.2 CC(C)=O 5788AL [2,0,0,0,0,0|1,0,0]=3 104 B3R0.2 CC(C)N 8113AL [2,0,0,0,0,0|1,0,1]=4 105 B3R0.2 NC(N)=O S544 [2,0,0,0,0,0|1,0,0]=3 106 B3R0.2 NC(N)=[Se] 8291AF [2,0,0,0,0,0|1,1,0]=4 107 B3R0.2 O=C([O-])O 8300AF [2,0,0,0,0,0|2,0,0]=4 108 B3R0.2 O=C([O-])O Z3648 [2,0,0,0,0,0|2,0,0]=4 109 B3R0.2 O=C([O-])[O-] 5317AF [2,0,0,0,0,0|2,0,0]=4 110 B3R0.2 O=C([O-])[O-] 5318AF [2,0,0,0,0,0|2,0,0]=4 111 B3R0.2 O=C([O-])[O-] 5319AF [2,0,0,0,0,0|2,0,0]=4 112 B3R0.2 O=C([O-])[O-] 5320AF [2,0,0,0,0,0|2,0,0]=4 113 B3R0.2 O=C([O-])[O-] 5321AF [2,0,0,0,0,0|2,0,0]=4 114 B3R0.2 O=C([O-])[O-] 5322AF [2,0,0,0,0,0|2,0,0]=4 115 B3R0.2 O=C([O-])[O-] 5323AF [2,0,0,0,0,0|2,0,0]=4 116 B3R0.2 O=C([O-])[O-] 5325AF [2,0,0,0,0,0|2,0,0]=4 117 B3R0.2 O=C([O-])[O-] 5326AF [2,0,0,0,0,0|2,0,0]=4 118 B3R0.2 O=C([O-])[O-] 5327AF [2,0,0,0,0,0|2,0,0]=4 119 B3R0.2 O=C([O-])[O-] 5328AF [2,0,0,0,0,0|2,0,0]=4 120 B3R0.2 O=C([O-])[O-] 5329AF [2,0,0,0,0,0|2,0,0]=4 121 B3R0.2 O=C([O-])[O-] 5330AF [2,0,0,0,0,0|2,0,0]=4 122 B3R0.2 O=C([O-])[O-] 5331AF [2,0,0,0,0,0|2,0,0]=4 123 B3R0.2 O=C([O-])[O-] 5332AF [2,0,0,0,0,0|2,0,0]=4 124 B3R0.2 O=C([O-])[O-] 5335AF [2,0,0,0,0,0|2,0,0]=4 125 B3R0.2 O=C([O-])[O-] 5337AF [2,0,0,0,0,0|2,0,0]=4 126 B3R0.2 O=C([O-])[O-] 5338AF [2,0,0,0,0,0|2,0,0]=4 127 B3R0.2 O=C([O-])[O-] 8458AF [2,0,0,0,0,0|2,0,0]=4 128 B3R0.2 O=C([O-])[O-] 8459AF [2,0,0,0,0,0|2,0,0]=4 129 B3R0.2 O=C([O-])[O-] 8461AF [2,0,0,0,0,0|2,0,0]=4 130 B3R0.2 O=C([O-])[O-] 8462AF [2,0,0,0,0,0|2,0,0]=4 131 B3R0.2 O=C([O-])[O-] 8466AF [2,0,0,0,0,0|2,0,0]=4 132 B3R0.2 O=C([O-])[O-] 8467AF [2,0,0,0,0,0|2,0,0]=4 133 B3R0.2 O=C([O-])[O-] 8468AF [2,0,0,0,0,0|2,0,0]=4 134 B3R0.2 O=C([O-])[O-] 8470AF [2,0,0,0,0,0|2,0,0]=4 135 B3R0.2 O=C([O-])[O-] 8475AF [2,0,0,0,0,0|2,0,0]=4 136 B3R0.2 O=C([O-])[O-] 8477AF [2,0,0,0,0,0|2,0,0]=4 137 B3R0.2 O=C([O-])[O-] 8479AF [2,0,0,0,0,0|2,0,0]=4 138 B3R0.2 O=C([O-])[O-] C816 [2,0,0,0,0,0|2,0,0]=4 139 B3R0.2 O=[13C]([O-])[O-] 8386AJ [2,0,0,0,0,0|2,0,0]=4 140 B5R0.3 C=CC(=O)CBr V2439 [1,1,0,0,0,0|2,0,0]=4 141 B5R0.3 C=CC(=O)CCl 0235AP [1,1,0,0,0,0|2,0,0]=4 142 B5R0.3 CCC(=O)CN 2095AC [1,1,0,0,0,0|0,0,0]=2 143 B5R0.3 CCC(N)CN Y2034 [1,1,0,0,0,0|1,0,1]=4 144 B5R0.3 COC(=O)C=O Y1686 [1,1,0,0,0,0|2,0,0]=4 145 B5R0.3 COC(=O)CN W7382 [1,1,0,0,0,0|1,0,0]=3 146 B5R0.3 O=C(CF)CF 3891AE [1,1,0,0,0,0|2,0,0]=4 147 B5R0.3 O=C(CO)CBr 0236AP [1,1,0,0,0,0|2,0,0]=4 148 B5R0.4 CCP(=O)(O)O S851 [1,1,0,0,0,0|2,0,0]=4 149 B5R0.4 CCS(=O)(=O)F 0529AQ [1,1,0,0,0,0|2,0,0]=4 150 B5R0.5 C=C(Br)C(N)=O 0896AC [1,1,0,0,0,0|0,0,2]=4 151 B5R0.5 CC(=O)C(C)Br V0402 [1,1,0,0,0,0|1,0,0]=3 152 B5R0.5 CC(=O)C(Cl)Cl 7020AF [1,1,0,0,0,0|2,0,0]=4 153 B5R0.5 CC(C)C(C)N 4455AL [1,1,0,0,0,0|1,0,1]=4 154 B5R0.5 CC(O)C(=O)[O-] P973 [1,1,0,0,0,0|1,0,0]=3 155 B5R0.5 CC(O)C(=O)[O-] Z1915 [1,1,0,0,0,0|1,0,0]=3 156 B5R0.5 CC(O)C(=O)[O-] Z1916 [1,1,0,0,0,0|1,0,0]=3 157 B5R0.5 CC(O)C(N)=O 7066AF [1,1,0,0,0,0|0,0,0]=2 158 B5R0.5 C[C@H](O)C(N)=O 4862AC [1,1,0,0,0,0|0,0,0]=2 159 B5R0.5 O=C(O)C(Cl)Br R838 [1,1,0,0,0,0|2,0,0]=4 160 B5R0.2 C=C\C=C\CC 4582AL [1,1,0,0,0,0|1,0,1]=4 161 B5R0.2 CCCSC#N I565 [1,1,0,0,0,0|0,0,2]=4 162 B5R0.2 CCO\C=C/Br 7961AD [1,1,0,0,0,0|1,0,1]=4 163 B5R0.2 COCCC=O Y8542 [1,1,0,0,0,0|0,0,0]=2 164 B5R0.2 CSC\C=N\O S678 [1,1,0,0,0,0|1,0,1]=4 165 B5R0.2 FCCCCF 1855AE [1,1,0,0,0,0|1,0,1]=4 166 B5R0.2 NCCCCCl 5846AB [1,1,0,0,0,0|0,0,1]=3 167 B5R0.2 O=CCCC=O N715 [1,1,0,0,0,0|0,0,1]=3 168 B7R0.2 CC(C)CC(=O)CBr Y8593 [0,2,0,0,0,0|1,0,0]=3 169 B7R0.2 CC(C)CC(N)C#N 5443AJ [0,2,0,0,0,0|1,0,1]=4 170 B7R0.2 CCC(=O)C[N+](=O)[O-] 1451AB [0,2,0,0,0,0|2,0,0]=4 171 B7R0.2 N[C@@H](CO)CC(=O)O 4626AA [0,2,0,0,0,0|1,0,0]=3 172 B7R0.3 CCCCC(N)CC 7820AF [0,2,0,0,0,0|1,0,1]=4 173 B7R0.3 CCCOC(=O)CCl U589 [0,2,0,0,0,0|1,0,0]=3 174 B7R0.3 CCCOC(=O)CN 3440AL [0,2,0,0,0,0|0,0,0]=2 175 B7R0.3 CC\C=C\C(=O)OC Y2122 [0,2,0,0,0,0|1,0,1]=4 176 B7R0.3 COC(=O)CCCO 3568AL [0,2,0,0,0,0|1,0,0]=3 177 B7R0.3 C\C=C(/C)CCCC 6098AL [0,2,0,0,0,0|2,0,0]=4 178 B7R0.3 NCC(Cl)CCCCl 1747AA [0,2,0,0,0,0|1,0,1]=4 179 B7R0.5 C=C(Cl)C(=O)OCC 7371AF [0,2,0,0,0,0|2,0,0]=4 180 B7R0.5 CC(=O)C(Cl)CCO X4477 [0,2,0,0,0,0|1,0,0]=3 181 B7R0.5 CCCC(=O)C(=O)[O-] 7377AF [0,2,0,0,0,0|1,0,0]=3 182 B7R0.5 CCCC(O)C(C)=O X3438 [0,2,0,0,0,0|1,0,0]=3 183 B7R0.5 CCOC(=O)N(Cl)Cl P945 [0,2,0,0,0,0|1,0,0]=3 184 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [0,2,0,0,0,0|2,0,0]=4 185 B7R0.5 CNC[C@H](N)C(=O)O Q369 [0,2,0,0,0,0|1,0,0]=3 186 B7R0.5 C[Se]C[C@H](N)C(=O)O 2218AB [0,2,0,0,0,0|1,0,0]=3 187 B7R0.5 NC(CCBr)C(=O)O 0872AA [0,2,0,0,0,0|1,0,0]=3 188 B7R0.5 N[C@@H](CCO)C(=O)O 0148AB [0,2,0,0,0,0|1,0,0]=3 189 B7R0.5 O=C(Br)C(Br)CCBr 7393AB [0,2,0,0,0,0|1,0,0]=3 190 B7R0.7 CCCC(=S)OCC R545 [0,2,0,0,0,0|1,0,1]=4 191 B7R0.7 CCCS(=O)CCC 7566AF [0,2,0,0,0,0|2,0,0]=4 192 B7R0.7 CCNC(=O)OCC 7331AF [0,2,0,0,0,0|1,0,0]=3 193 B7R0.7 CCOC(=O)CCN 5625AC [0,2,0,0,0,0|1,0,0]=3 194 B7R0.7 CCOC(=O)N=C=O X3467 [0,2,0,0,0,0|1,0,1]=4 195 B7R0.7 O=C(CCBr)CCBr 6817AA [0,2,0,0,0,0|2,0,0]=4 196 B7R0.7 O=C(CCCl)CCCl R711 [0,2,0,0,0,0|2,0,0]=4 197 B7R0.7 O=C=NC(=O)CCBr Y8100 [0,2,0,0,0,0|1,0,1]=4 198 B7R0.10 CCC(C)C(=O)SC U625 [0,2,0,0,0,0|1,0,0]=3 199 B7R0.10 COC(=O)C(Br)CF 4787AD [0,2,0,0,0,0|2,0,0]=4 200 B7R0.10 COC(=O)C(C)CN X3684 [0,2,0,0,0,0|2,0,0]=4 201 B7R0.10 COC(=O)C(N)CO 0759AB [0,2,0,0,0,0|2,0,0]=4 202 B7R0.10 COC(=O)C(O)OC 0175AB [0,2,0,0,0,0|2,0,0]=4 203 B7R0.10 NC(CO)C(=O)NN 9864AL [0,2,0,0,0,0|1,0,0]=3 204 B7R0.9 CC(=O)CC(C)(C)N 7543AF [0,2,0,0,0,0|1,0,0]=3 205 B7R0.9 C[N+](C)(C)CC(=O)Cl H261 [0,2,0,0,0,0|2,0,0]=4 206 B7R0.9 C[N+](C)(C)CC(=O)[O-] H265 [0,2,0,0,0,0|2,0,0]=4 207 B7R0.16 CC(N)C(N)C(=O)O 2357AB [0,2,0,0,0,0|1,0,0]=3 208 B7R0.16 C[C@@H](N)[C@@H](N)C(=O)O 5485AC [0,2,0,0,0,0|1,0,0]=3 209 B7R0.16 C[C@@H](N)[C@H](N)C(=O)O 0965AB [0,2,0,0,0,0|1,0,0]=3 210 B7R0.16 C[C@H](N)[C@@H](N)C(=O)O 9929AB [0,2,0,0,0,0|1,0,0]=3 211 B7R0.16 C[C@H](N)[C@H](N)C(=O)O 3674AA [0,2,0,0,0,0|1,0,0]=3 212 B7R0.15 CCC(CO)[N+](=O)[O-] 7276AF [0,2,0,0,0,0|2,0,0]=4 213 B7R0.15 CCN(N=O)C(N)=O 9828AF [0,2,0,0,0,0|1,0,0]=3 214 B7R0.15 CC[C@H](CO)C(=O)O 1257AC [0,2,0,0,0,0|1,0,0]=3 215 B7R0.4 C=CCCOC(=O)Cl Y4611 [0,2,0,0,0,0|1,0,1]=4 216 B7R0.4 CC#CCOC(=O)Cl 0382AB [0,2,0,0,0,0|1,0,1]=4 217 B7R0.4 CC(=O)OCCC=O 9702AA [0,2,0,0,0,0|1,0,1]=4 218 B7R0.4 CCCC=C[N+](=O)[O-] 9974AL [0,2,0,0,0,0|2,0,0]=4 219 B7R0.4 CCCCCC(C)N 5131AF [0,2,0,0,0,0|1,0,1]=4 220 B7R0.4 C\C=C\COC(C)=O 7476AF [0,2,0,0,0,0|1,0,1]=4 221 B7R0.4 NC(=O)COCCO 7275AF [0,2,0,0,0,0|0,0,0]=2 222 B7R0.4 NOCCCC(=O)O V9806 [0,2,0,0,0,0|1,0,0]=3 223 B7R0.4 N[C@@H](C)CCCCC Z2154 [0,2,0,0,0,0|1,0,1]=4 224 B7R0.6 CC(C)CCC(C)N 2762AB [0,2,0,0,0,0|1,0,1]=4 225 B7R0.6 CC(C)CO[N+](=O)[O-] 3474AL [0,2,0,0,0,0|2,0,0]=4 226 B7R0.6 O=C(O)CCC(=O)O 9603AL [0,2,0,0,0,0|1,0,1]=4 227 B7R0.6 O=C([O-])CCC(=O)O 7180AF [0,2,0,0,0,0|1,0,1]=4 228 B7R0.6 O=C([O-])CCC(=O)O V1664 [0,2,0,0,0,0|1,0,1]=4 229 B7R0.6 O=C([O-])CCC(=O)[O-] 7155AF [0,2,0,0,0,0|1,0,1]=4 230 B7R0.6 O=C([O-])CCC(=O)[O-] V1658 [0,2,0,0,0,0|1,0,1]=4 231 B7R0.8 CCCCS(=O)(=O)O X7342 [0,2,0,0,0,0|2,0,0]=4 232 B7R0.8 CCCCS(=O)(=O)[O-] 4687AH [0,2,0,0,0,0|2,0,0]=4 233 B5R1.2 CC1CCN1 2132AL [1,0,0,1,0,0|1,0,1]=4 234 B5R1.3 CCC1CN1 Y8453 [1,0,0,1,0,0|1,0,1]=4 235 B5R1.5 CC1(N)CC1 W4667 [1,0,0,1,0,0|1,0,1]=4 236 B5R1.1 C1CCOC1 V2332 [1,0,0,1,0,0|0,0,2]=4 237 B5R1.1 C1CNNC1 4465AJ [1,0,0,1,0,0|1,0,0]=3 238 B5R1.1 C1CNOC1 4176AJ [1,0,0,1,0,0|1,0,0]=3 239 B7R1.1 ClCC1CCCN1 1258AJ [0,1,0,1,0,0|1,0,1]=4 240 B7R1.1 N#CC1CCCN1 Y9476 [0,1,0,1,0,0|1,0,1]=4 241 B7R1.2 CC1CCC(=O)C1 7470AF [0,1,0,1,0,0|1,0,0]=3 242 B7R1.2 CC1CCC(C)N1 Y8778 [0,1,0,1,0,0|1,0,1]=4 243 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8295AH [0,1,0,1,0,0|1,0,1]=4 244 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8559AH [0,1,0,1,0,0|1,0,1]=4 245 B7R1.2 C[C@H]1CC[C@H](C)N1 8586AH [0,1,0,1,0,0|1,0,1]=4 246 B7R1.2 N[C@@H]1CC[C@@H](O)C1 6258AC [0,1,0,1,0,0|1,0,1]=4 247 B7R1.3 C=C1CCCCC1 3293AA [0,1,0,1,0,0|2,0,0]=4 248 B7R1.3 C[C@@H]1CCCCN1 W3754 [0,1,0,1,0,0|1,0,1]=4 249 B7R1.3 C[C@@H]1CCCNC1 8114AA [0,1,0,1,0,0|1,0,1]=4 250 B7R1.3 NC1=NCCSC1 8863AE [0,1,0,1,0,0|1,0,0]=3 251 B7R1.3 NC1CCCCN1 6271AB [0,1,0,1,0,0|1,0,1]=4 252 B7R1.3 NC1CCSCC1 V4406 [0,1,0,1,0,0|1,0,1]=4 253 B7R1.3 NN1CCNCC1 Y3154 [0,1,0,1,0,0|2,0,0]=4 254 B7R1.3 N[C@@H]1CCCOC1 X8827 [0,1,0,1,0,0|0,0,2]=4 255 B7R1.3 N[C@H]1CCCOC1 X6276 [0,1,0,1,0,0|0,0,2]=4 256 B7R1.3 O=C1CCCNC1 7001AB [0,1,0,1,0,0|0,0,0]=2 257 B7R1.3 O=S1CCCCC1 V2389 [0,1,0,1,0,0|2,0,0]=4 258 B7R1.4 NC1=CCOC1=O 3957AB [0,1,0,1,0,0|1,0,1]=4 259 B7R1.4 NC1CCNC1=O W4818 [0,1,0,1,0,0|0,0,0]=2 260 B7R1.4 N[C@@H]1CCC[C@H]1N X3520 [0,1,0,1,0,0|1,0,1]=4 261 B7R1.4 N[C@@H]1CCC[C@H]1O 0541AC [0,1,0,1,0,0|0,0,2]=4 262 B7R1.4 N[C@@H]1CCNC1=O 1294AB [0,1,0,1,0,0|0,0,0]=2 263 B7R1.4 N[C@H]1CCNC1=O 5681AB [0,1,0,1,0,0|0,0,0]=2 264 B7R1.10 N#CC1CC(=O)C1 Z4386 [0,1,0,1,0,0|1,0,1]=4 265 B7R1.22 COC(=O)[C@@H]1CN1 1314AL [0,1,0,1,0,0|2,0,0]=4 266 B7R1.20 CC(C)CC1CN1 Y8873 [0,1,0,1,0,0|1,0,1]=4 267 B7R1.18 O=C(O)[C@@H]1CCN1 5483AB [0,1,0,1,0,0|1,0,0]=3 268 B7R1.26 O=S(=O)(F)C1CC1 0524AQ [0,1,0,1,0,0|2,0,0]=4 269 B7R2.11 C1CC2CC1N2 3085AJ [0,0,0,2,0,0|1,0,1]=4