0 B6R0.1 C=CC(=O)COC S897 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.1 CCCC(Br)CBr R241 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.1 CCCC(N)CC 7574AF [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CCC[C@@H](C)CO N835 [0,0,0,0,0,0|3,0,1]=4 4 B6R0.1 CCN(C)CCO Z5820 [0,0,0,0,0,0|4,0,0]=4 5 B6R0.1 CCOC(=O)CF C411 [0,0,0,0,0,0|1,0,0]=1 6 B6R0.1 CCOC(Br)CBr V0731 [0,0,0,0,0,0|2,0,1]=3 7 B6R0.1 CC[C@@H](N)COC 8544AH [0,0,0,0,0,0|3,0,1]=4 8 B6R0.1 CC[C@H](N)COC 8568AH [0,0,0,0,0,0|3,0,1]=4 9 B6R0.1 CC\C(C)=N\O[SiH3] O469 [0,0,0,0,0,0|3,1,0]=4 10 B6R0.1 COC(=O)CCN 5700AB [0,0,0,0,0,0|3,0,0]=3 11 B6R0.1 COC(=O)NC#N S843 [0,0,0,0,0,0|3,0,1]=4 12 B6R0.1 C\C=C\C(C)CC 6598AL [0,0,0,0,0,0|2,0,2]=4 13 B5R0.1 CC(=O)CCS U742 [1,0,0,0,0,0|2,0,0]=3 14 B5R0.1 CCCC(=O)[O-] M135 [1,0,0,0,0,0|2,0,0]=3 15 B5R0.1 CCCC(C)I 7327AF [1,0,0,0,0,0|2,0,1]=4 16 B5R0.1 CCNC(=N)N 6913AB [1,0,0,0,0,0|3,0,0]=4 17 B5R0.1 CCNC(=N)N S797 [1,0,0,0,0,0|3,0,0]=4 18 B5R0.1 CCO[PH](C)=O 8330AA [1,0,0,0,0,0|1,0,0]=2 19 B5R0.2 C=C\C=C\CC 4582AL [1,0,0,0,0,0|1,0,2]=4 20 B5R0.2 CCO\C=C/Br 7961AD [1,0,0,0,0,0|1,0,1]=3 21 B5R0.2 ClC\C=C\CCl 9862AF [1,0,0,0,0,0|3,0,0]=4 22 B5R0.2 OC\C=C\CCl Y3343 [1,0,0,0,0,0|3,0,0]=4 23 B5R0.3 C=C(CBr)CBr 7716AA [1,0,0,0,0,0|3,0,0]=4 24 B5R0.3 C=CC(=O)CBr V2439 [1,0,0,0,0,0|1,0,2]=4 25 B5R0.3 C=CC(=O)CCl 0235AP [1,0,0,0,0,0|1,0,2]=4 26 B5R0.3 CCC(=O)CN 2095AC [1,0,0,0,0,0|1,0,0]=2 27 B5R0.3 CCC(N)CN Y2034 [1,0,0,0,0,0|2,0,1]=4 28 B5R0.3 COC(=O)C=O Y1686 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.3 COC(=O)CN W7382 [1,0,0,0,0,0|1,0,0]=2 30 B5R0.3 COC(=S)S[K] 0990AE [1,0,0,0,0,0|2,1,0]=4 31 B5R0.3 O=C(CF)CF 3891AE [1,0,0,0,0,0|2,0,0]=3 32 B5R0.3 O=C(CO)CBr 0236AP [1,0,0,0,0,0|2,0,0]=3 33 B7R0.2 CC(C)CC(=O)CBr Y8593 [0,1,0,0,0,0|2,0,0]=3 34 B7R0.2 CC(C)OC(=S)S[Na] 7245AF [0,1,0,0,0,0|2,1,0]=4 35 B7R0.2 CCC(=O)C[N+](=O)[O-] 1451AB [0,1,0,0,0,0|3,0,0]=4 36 B7R0.2 COC(=O)\C=C(\C)F 4465AA [0,1,0,0,0,0|2,0,1]=4 37 B7R0.3 C=CCOC(=O)CC 7475AF [0,1,0,0,0,0|0,0,1]=2 38 B7R0.3 C=CCOC(=S)CC U627 [0,1,0,0,0,0|0,1,1]=3 39 B7R0.3 CCC(=O)\C=C\C=O Z6191 [0,1,0,0,0,0|1,0,2]=4 40 B7R0.3 CCC(C)OCCO 1705AL [0,1,0,0,0,0|1,0,1]=3 41 B7R0.3 CCCCC(N)CC 7820AF [0,1,0,0,0,0|2,0,1]=4 42 B7R0.3 CCCOC(=O)CCl U589 [0,1,0,0,0,0|1,0,0]=2 43 B7R0.3 CCCOC(=O)CN 3440AL [0,1,0,0,0,0|1,0,0]=2 44 B7R0.3 CC\C=C\C(=O)OC Y2122 [0,1,0,0,0,0|2,0,0]=3 45 B7R0.3 COC(=O)CCCO 3568AL [0,1,0,0,0,0|2,0,0]=3 46 B7R0.3 C\C=C(/C)CCCC 6098AL [0,1,0,0,0,0|2,0,1]=4 47 B7R0.5 C=C(C)C(=O)NCO V0404 [0,1,0,0,0,0|2,0,1]=4 48 B7R0.5 C=C(Cl)C(=O)OCC 7371AF [0,1,0,0,0,0|0,0,2]=3 49 B7R0.5 CCCC(=O)C(=O)[O-] 7377AF [0,1,0,0,0,0|2,0,1]=4 50 B7R0.5 CCOC(=O)N(Cl)Cl P945 [0,1,0,0,0,0|2,0,0]=3 51 B7R0.5 CCOC(=O)[C@H](C)Cl 9674AJ [0,1,0,0,0,0|0,0,0]=1 52 B7R0.5 CCOC(F)=C(F)F 5892AD [0,1,0,0,0,0|2,0,1]=4 53 B7R0.7 CCCC(=S)OCC R545 [0,1,0,0,0,0|0,1,0]=2 54 B7R0.7 CCCS(=O)CCC 7566AF [0,1,0,0,0,0|2,0,0]=3 55 B7R0.7 CCNC(=O)OCC 7331AF [0,1,0,0,0,0|0,0,0]=1 56 B7R0.7 CCOC(=O)CCN 5625AC [0,1,0,0,0,0|0,0,0]=1 57 B7R0.7 CCOC(=O)N=C=O X3467 [0,1,0,0,0,0|1,0,1]=3 58 B7R0.7 CCOP(C)OCC R038 [0,1,0,0,0,0|2,0,0]=3 59 B7R0.7 O=C(CCBr)CCBr 6817AA [0,1,0,0,0,0|2,0,0]=3 60 B7R0.7 O=C(CCCl)CCCl R711 [0,1,0,0,0,0|2,0,0]=3 61 B7R0.7 O=C=NC(=O)CCBr Y8100 [0,1,0,0,0,0|2,0,1]=4 62 B7R0.10 CCC(C)C(=O)SC U625 [0,1,0,0,0,0|2,0,0]=3 63 B7R0.10 COC(=O)C(Br)CF 4787AD [0,1,0,0,0,0|3,0,0]=4 64 B7R0.10 COC(=O)C(C)CN X3684 [0,1,0,0,0,0|3,0,0]=4 65 B7R0.10 COC(=O)C(N)CO 0759AB [0,1,0,0,0,0|3,0,0]=4 66 B7R0.10 COC(=O)C(O)OC 0175AB [0,1,0,0,0,0|3,0,0]=4 67 B7R0.11 CCS(=O)(=O)CCO 4648AE [0,1,0,0,0,0|3,0,0]=4 68 B7R1.1 CSC1=NCCS1 X2628 [0,0,0,1,0,0|2,1,0]=4 69 B7R1.2 CC1CCC(=O)C1 7470AF [0,0,0,1,0,0|1,0,0]=2 70 B7R1.2 CC1CCC(C)N1 Y8778 [0,0,0,1,0,0|2,0,1]=4 71 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8295AH [0,0,0,1,0,0|2,0,1]=4 72 B7R1.2 C[C@@H]1CC[C@@H](C)N1 8559AH [0,0,0,1,0,0|2,0,1]=4 73 B7R1.2 C[C@H]1CC[C@H](C)N1 8586AH [0,0,0,1,0,0|2,0,1]=4 74 B7R1.3 C=C1CCCCC1 3293AA [0,0,0,1,0,0|2,0,0]=3 75 B7R1.3 C[C@@H]1CCCCN1 W3754 [0,0,0,1,0,0|2,0,1]=4 76 B7R1.3 NC1=NCCSC1 8863AE [0,0,0,1,0,0|3,0,0]=4 77 B7R1.3 NC1CCCCN1 6271AB [0,0,0,1,0,0|2,0,1]=4 78 B7R1.3 O=C1CCCNC1 7001AB [0,0,0,1,0,0|2,0,0]=3 79 B7R1.3 O=S1CCCCC1 V2389 [0,0,0,1,0,0|2,0,0]=3 80 B7R1.4 CC1=C(S)CCO1 R544 [0,0,0,1,0,0|2,0,1]=4 81 B7R1.4 C[C@@H]1CCC[C@H]1O S086 [0,0,0,1,0,0|1,0,2]=4 82 B7R1.4 NC1=CCOC1=O 3957AB [0,0,0,1,0,0|1,0,2]=4 83 B7R1.4 NC1CCNC1=O W4818 [0,0,0,1,0,0|2,0,0]=3 84 B7R1.4 N[C@@H]1CCNC1=O 1294AB [0,0,0,1,0,0|2,0,0]=3 85 B7R1.4 N[C@H]1CCNC1=O 5681AB [0,0,0,1,0,0|2,0,0]=3 86 B7R1.4 O=C1OCC=C1Br 1872AC [0,0,0,1,0,0|1,0,2]=4 87 B7R1.22 COC(=O)[C@@H]1CN1 1314AL [0,0,0,1,0,0|3,0,0]=4 88 B4R0.1 C=C(Br)CC 7231AF [2,0,0,0,0,0|1,0,1]=4 89 B4R0.1 CC(=O)CN W5227 [2,0,0,0,0,0|1,0,0]=3 90 B4R0.1 CC(=O)OS V0446 [2,0,0,0,0,0|1,0,0]=3 91 B4R0.1 CCC(=O)F 3262AE [2,0,0,0,0,0|1,0,0]=3 92 B4R0.1 CCC(=O)[O-] 7037AF [2,0,0,0,0,0|0,0,1]=3 93 B4R0.1 CC[C@H](C)N 4197AL [2,0,0,0,0,0|1,0,1]=4 94 B4R0.1 COC(=N)N V1401 [2,0,0,0,0,0|2,0,0]=4 95 B4R0.1 NC(=O)CS 9295AE [2,0,0,0,0,0|2,0,0]=4 96 B4R0.1 NCC(=O)[O-] 7015AH [2,0,0,0,0,0|1,0,1]=4 97 B4R0.1 O=C([O-])CI U791 [2,0,0,0,0,0|1,0,1]=4 98 B4R0.1 O=C([O-])CS Z1770 [2,0,0,0,0,0|1,0,1]=4 99 B4R0.1 O=C([O-])O[AlH3] X3551 [2,0,0,0,0,0|2,0,0]=4 100 B4R0.2 CCCC[NH3+] 7121AF [2,0,0,0,0,0|1,0,1]=4 101 B4R0.2 CCCC[O-] S459 [2,0,0,0,0,0|1,0,1]=4 102 B4R0.2 CCNCC Y1600 [2,0,0,0,0,0|1,0,0]=3 103 B4R0.2 CC\C=C\Br 3495AB [2,0,0,0,0,0|1,0,1]=4 104 B4R0.2 C\C=C\CN Q938 [2,0,0,0,0,0|1,0,1]=4 105 B4R0.2 O=CCCF 2017AC [2,0,0,0,0,0|2,0,0]=4 106 B6R0.2 CC(=N)CC(C)=O 7397AF [1,1,0,0,0,0|1,0,1]=4 107 B6R0.2 CC(=O)\C=C(\C)[O-] 7375AF [1,1,0,0,0,0|1,0,1]=4 108 B6R0.2 CC(C)CC(=O)Cl V2138 [1,1,0,0,0,0|2,0,0]=4 109 B6R0.2 CC(C)CC(=O)[O-] 7399AF [1,1,0,0,0,0|2,0,0]=4 110 B6R0.2 CC(C)CC(=O)[O-] 7400AF [1,1,0,0,0,0|2,0,0]=4 111 B6R0.2 C[C@H](O)CC(=O)O Z4946 [1,1,0,0,0,0|2,0,0]=4 112 B6R0.3 C=C(C)C(C)CC 7776AF [1,1,0,0,0,0|2,0,0]=4 113 B6R0.3 CC[C@H](C)C(=O)O Z9667 [1,1,0,0,0,0|2,0,0]=4 114 B6R0.4 CC(C)=CCCBr 1398AB [1,1,0,0,0,0|2,0,0]=4 115 B6R0.4 CC\C=C\C(C)=O Y8265 [1,1,0,0,0,0|1,0,0]=3 116 B6R0.5 CCOP(=O)(O)O 5203AD [1,1,0,0,0,0|2,0,0]=4 117 B6R0.5 CCOP(C)(=O)O X3731 [1,1,0,0,0,0|1,0,0]=3 118 B6R0.5 CCOS(=O)(=O)[O-] 5297AF [1,1,0,0,0,0|2,0,0]=4 119 B6R0.5 CCOS(=O)(=O)[O-] 5298AF [1,1,0,0,0,0|2,0,0]=4 120 B6R0.6 CCCCCCF 7535AF [1,1,0,0,0,0|1,0,1]=4 121 B6R0.6 OCCOCCS 5680AL [1,1,0,0,0,0|1,0,1]=4 122 B6R0.8 CC[Ge](Cl)(Cl)CC Y1404 [1,1,0,0,0,0|1,1,0]=4 123 B6R0.8 CC[N+](C)(C)CC 8568AJ [1,1,0,0,0,0|2,0,0]=4 124 B6R0.9 CCN(CC)CC 9279AL [1,1,0,0,0,0|2,0,0]=4 125 B6R0.9 CC[NH+](CC)CC X5323 [1,1,0,0,0,0|2,0,0]=4 126 B6R0.9 CC[O+](CC)CC 0270AP [1,1,0,0,0,0|2,0,0]=4 127 B6R0.9 CC[O+](CC)CC 0741AP [1,1,0,0,0,0|2,0,0]=4 128 B8R0.5 CCCC(=O)CC(C)=O 3453AL [0,2,0,0,0,0|1,0,0]=3 129 B8R0.5 CCOC(=O)OC(C)I 9891AH [0,2,0,0,0,0|0,0,0]=2 130 B8R0.5 C\C=C\C(=O)OC(C)C 8103AL [0,2,0,0,0,0|0,0,1]=3 131 B8R0.19 O=C(CCl)OC(=O)CCl M169 [0,2,0,0,0,0|1,0,1]=4 132 B8R0.24 C[Si](C)(C)OC(=O)CCl 3782AL [0,2,0,0,0,0|1,1,0]=4 133 B8R0.1 C=CCOC(=O)CCC 7766AF [0,2,0,0,0,0|0,0,1]=3 134 B8R0.1 C=CCOC(=O)\C=C\C 7757AF [0,2,0,0,0,0|0,0,2]=4 135 B8R0.1 CCC#CC(=O)OCC X3933 [0,2,0,0,0,0|0,0,0]=2 136 B8R0.1 CCCC(=O)OCSC Y1950 [0,2,0,0,0,0|0,0,0]=2 137 B8R0.3 CCNC(C)C(=O)OC 4206AJ [0,2,0,0,0,0|2,0,0]=4 138 B8R0.3 CCOC(=O)C(N)C#N 3670AB [0,2,0,0,0,0|0,0,1]=3 139 B8R0.3 C\C=C\C(=O)C(C)CC Z6103 [0,2,0,0,0,0|1,0,1]=4 140 B8R0.6 CCCCCC(=O)SC U833 [0,2,0,0,0,0|2,0,0]=4 141 B8R0.6 CCCCOC(=O)C=O 3194AL [0,2,0,0,0,0|1,0,1]=4 142 B8R0.8 C=C(C)C(=O)OCCN 1927AC [0,2,0,0,0,0|0,0,1]=3 143 B8R0.9 C=CC(=O)OCC(C)O Z5430 [0,2,0,0,0,0|0,0,2]=4 144 B8R0.30 CCOP([O-])(=S)OCC S787 [0,2,0,0,0,0|1,0,1]=4 145 B8R0.30 CCO[Ti](Cl)(Cl)OCC 9134AJ [0,2,0,0,0,0|2,0,0]=4 146 B6R1.2 O=C1CCNC1 R079 [1,0,0,1,0,0|2,0,0]=4 147 B6R1.2 O=C1CS[Ca]O1 7318AL [1,0,0,1,0,0|2,0,0]=4 148 B6R1.2 OC1CCCO1 5572AJ [1,0,0,1,0,0|0,0,2]=4 149 B6R1.1 C1=CCCCC1 6616AH [1,0,0,1,0,0|1,0,0]=3 150 B6R1.1 C1CCNCC1 X3730 [1,0,0,1,0,0|1,0,1]=4 151 B8R1.1 CCC1OCC(C)O1 3360AE [0,1,0,1,0,0|0,0,2]=4 152 B8R1.1 O=C1C[C@H](CF)CO1 2632AC [0,1,0,1,0,0|2,0,0]=4 153 B8R1.4 CC1=CC(O)CCC1 X4463 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.4 CC1CCOC(=O)C1 2149AA [0,1,0,1,0,0|0,0,0]=2 155 B8R1.4 C[C@H]1CNCC(=O)N1 7823AA [0,1,0,1,0,0|1,0,0]=3 156 B8R1.4 NC1CCCC(=O)C1 7456AA [0,1,0,1,0,0|1,0,0]=3 157 B8R1.4 NC1CCCC(=O)C1 V9436 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.4 NC1CCNC(=O)C1 V1291 [0,1,0,1,0,0|1,0,0]=3 159 B8R1.18 CC1=NC(C)OC1C L046 [0,1,0,1,0,0|2,0,0]=4 160 B8R1.51 O=C1CCC(F)(F)C1 3912AA [0,1,0,1,0,0|2,0,0]=4 161 B8R1.51 O=C1CCS(=O)(=O)O1 7024AF [0,1,0,1,0,0|2,0,0]=4 162 B8R1.2 CCC1=NCCCC1 Y7557 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.2 COC1CCCCO1 7544AE [0,1,0,1,0,0|0,0,2]=4 164 B8R1.2 O=CC1CCCCN1 Z3377 [0,1,0,1,0,0|1,0,1]=4 165 B8R1.3 NC1CCC(=O)CC1 X7969 [0,1,0,1,0,0|1,0,0]=3 166 B8R1.5 CC1CCNCC1=O 2896AJ [0,1,0,1,0,0|1,0,0]=3 167 B8R1.5 O=C1CCOCC1Br 4586AF [0,1,0,1,0,0|2,0,0]=4 168 B8R1.5 O=C1CCOCC1Cl 2253AJ [0,1,0,1,0,0|2,0,0]=4 169 B8R1.22 O=C1CCCCCN1 X5632 [0,1,0,1,0,0|1,0,0]=3 170 B8R1.22 O=S1CCCNCC1 1742AA [0,1,0,1,0,0|2,0,0]=4 171 B8R1.50 CC1=C(O)C(=O)CC1 5650AL [0,1,0,1,0,0|1,0,1]=4 172 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,1,0,1,0,0|1,0,0]=3