0 B6R0.2 CC(=O)NC(C)=O 7247AF [0,0,0,0,0,0|2,0,0]=2 1 B6R0.2 CC(=O)NC(C)C X8984 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.2 CC(C)CC(C)N X3873 [0,0,0,0,0,0|1,0,3]=4 3 B6R0.2 CC(C)NC(N)=O X3415 [0,0,0,0,0,0|2,0,1]=3 4 B6R0.2 CC(C)OC(N)=O 7274AF [0,0,0,0,0,0|2,0,1]=3 5 B6R0.2 CC(Cl)CC(=O)O 7238AF [0,0,0,0,0,0|2,0,2]=4 6 B6R0.2 CC(N)CC(=O)O 3162AL [0,0,0,0,0,0|2,0,2]=4 7 B6R0.2 CN(C)CC(N)=S 1262AJ [0,0,0,0,0,0|2,1,1]=4 8 B6R0.2 C[C@@H](N)CC(=O)O Z5926 [0,0,0,0,0,0|2,0,2]=4 9 B6R0.2 C[C@H](N)CC(=O)O W5861 [0,0,0,0,0,0|2,0,2]=4 10 B6R0.2 C[SiH](C)N[SiH](C)C 8011AA [0,0,0,0,0,0|2,2,0]=4 11 B5R0.1 C=C(C)CCC 5700AL [1,0,0,0,0,0|0,0,3]=4 12 B5R0.1 C=CNC(C)=O 8689AL [1,0,0,0,0,0|1,0,1]=3 13 B5R0.1 CC(C)=CCBr Z1911 [1,0,0,0,0,0|1,0,1]=3 14 B5R0.1 CC(C)OC=O 7262AF [1,0,0,0,0,0|1,0,1]=3 15 B5R0.1 CN(C)CC=O 4924AA [1,0,0,0,0,0|1,0,1]=3 16 B5R0.1 CNCC(=O)O 9764AB [1,0,0,0,0,0|2,0,1]=4 17 B5R0.1 CNOC(C)=O 8699AL [1,0,0,0,0,0|2,0,0]=3 18 B5R0.1 COCC(C)=O U020 [1,0,0,0,0,0|1,0,1]=3 19 B5R0.1 CSC=[N+](C)C 8446AL [1,0,0,0,0,0|2,0,0]=3 20 B5R0.1 CSCC(C)=O Y1373 [1,0,0,0,0,0|1,0,1]=3 21 B5R0.1 CSCS(C)=O E772 [1,0,0,0,0,0|2,0,1]=4 22 B7R0.2 CC(=O)\C=C(\C)O[Rh] G765 [0,1,0,0,0,0|1,0,0]=2 23 B7R0.2 CC(C)NC(=O)CN 6712AE [0,1,0,0,0,0|1,0,1]=3 24 B7R0.2 CC(C)OC(=O)CN Y6052 [0,1,0,0,0,0|1,0,1]=3 25 B7R0.2 CCC(=O)CC(C)C 9385AB [0,1,0,0,0,0|0,0,2]=3 26 B7R0.2 CCC(=O)OC(C)C 7522AF [0,1,0,0,0,0|1,0,1]=3 27 B7R0.2 CCC(C)OC(C)=O 7525AF [0,1,0,0,0,0|1,0,1]=3 28 B7R0.2 CCN(C)CC(=O)O 9048AE [0,1,0,0,0,0|2,0,1]=4 29 B7R0.2 CC[C@H](C)CC(=O)O 4847AJ [0,1,0,0,0,0|1,0,2]=4 30 B7R0.2 CNC(=O)NC(C)=O 7251AF [0,1,0,0,0,0|2,0,0]=3 31 B7R0.2 COC(=O)CC(C)C 8842AJ [0,1,0,0,0,0|0,0,2]=3 32 B7R0.2 COC(=O)CN(C)C X7323 [0,1,0,0,0,0|1,0,1]=3 33 B7R0.2 C\C(CC(C)C)=N/O 6599AL [0,1,0,0,0,0|0,0,3]=4 34 B7R0.9 C=C(C)O[Si](C)(C)C 8100AL [0,1,0,0,0,0|2,1,0]=4 35 B7R0.9 CC(C)(C)NC(N)=O 7334AF [0,1,0,0,0,0|2,0,1]=4 36 B7R0.9 CC(C)=CC(C)(C)C 7955AF [0,1,0,0,0,0|1,0,1]=3 37 B7R0.16 C=C(N(C)C)[N+](=O)[O-] Z3486 [0,1,0,0,0,0|3,0,0]=4 38 B7R0.16 CC(=O)N(C)C(C)=O Y3328 [0,1,0,0,0,0|2,0,0]=3 39 B7R0.16 CC(C)=C(C)C(C)C 5174AL [0,1,0,0,0,0|1,0,1]=3 40 B7R0.16 CC(C)C(=O)C(=O)O 1796AC [0,1,0,0,0,0|1,0,1]=3 41 B7R0.16 CC(C)C(C)C(=O)O 6994AA [0,1,0,0,0,0|1,0,2]=4 42 B7R0.16 CC(C)C(N)C(N)=O 3528AF [0,1,0,0,0,0|1,0,2]=4 43 B7R0.16 CC(C)[C@@H](Br)C(=O)O N107 [0,1,0,0,0,0|1,0,2]=4 44 B7R0.16 CC(C)[C@H](Br)C(=O)O M886 [0,1,0,0,0,0|1,0,2]=4 45 B7R0.16 CC(C)[C@H](N)C(N)=O 7258AH [0,1,0,0,0,0|1,0,2]=4 46 B7R0.16 CC(N)C(=O)N(C)C 3024AD [0,1,0,0,0,0|2,0,1]=4 47 B7R0.16 C[C@@H](C(=O)O)N(C)C 1280AL [0,1,0,0,0,0|2,0,1]=4 48 B7R1.2 CC1=CC(Br)=NO1 2132AB [0,0,0,1,0,0|2,0,1]=4 49 B7R1.2 CC1=CC(Cl)=NN1 Y7686 [0,0,0,1,0,0|3,0,0]=4 50 B7R1.2 CC1=CC(I)=NN1 5774AC [0,0,0,1,0,0|3,0,0]=4 51 B7R1.2 CC1=CC(N)=NN1 2288AA [0,0,0,1,0,0|3,0,0]=4 52 B7R1.2 CC1=CC=C(C)N1 9441AB [0,0,0,1,0,0|2,0,1]=4 53 B7R1.2 CC1=CSC(Br)=C1 7530AB [0,0,0,1,0,0|1,1,1]=4 54 B7R1.2 CC1=CSC(C)=C1 X6352 [0,0,0,1,0,0|0,1,1]=3 55 B7R1.2 CC1=NN=C(C)S1 5370AL [0,0,0,1,0,0|3,0,0]=4 56 B7R1.2 CC1=NSC(Br)=C1 0520AB [0,0,0,1,0,0|2,1,0]=4 57 B7R1.2 CC1CCC(=O)N1 1659AA [0,0,0,1,0,0|1,0,1]=3 58 B7R1.2 CC1COC(=O)N1 5156AD [0,0,0,1,0,0|2,0,1]=4 59 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [0,0,0,1,0,0|2,0,1]=4 60 B7R1.2 C[C@H]1COC(=O)N1 5440AB [0,0,0,1,0,0|2,0,1]=4 61 B7R1.2 NC1=CC(=O)NN1 W5121 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.2 NC1=NCC(=O)N1 9553AA [0,0,0,1,0,0|3,0,0]=4 63 B7R1.2 O=C1CNC(=O)O1 1066AB [0,0,0,1,0,0|3,0,0]=4 64 B5R0.5 CC(=O)N(C)C B355 [0,0,0,0,1,0|1,0,0]=2 65 B5R0.5 CC(=O)[C@H](C)N 2350AA [0,0,0,0,1,0|1,0,1]=3 66 B5R0.5 CC(C)C(=O)[O-] 7249AF [0,0,0,0,1,0|1,0,1]=3 67 B5R0.5 CC(C)C(C)O 6096AL [0,0,0,0,1,0|0,0,3]=4 68 B5R0.5 CC(C)S(=O)[O-] 4057AH [0,0,0,0,1,0|2,0,1]=4 69 B5R0.5 CC(Cl)C(N)=O 9013AD [0,0,0,0,1,0|2,0,1]=4 70 B5R0.5 CC(N)C(N)=O 9942AE [0,0,0,0,1,0|2,0,1]=4 71 B5R0.5 CC(N)C(N)=O V6080 [0,0,0,0,1,0|2,0,1]=4 72 B5R0.5 CC(O)C(=O)[O-] 7038AF [0,0,0,0,1,0|2,0,1]=4 73 B5R0.5 CC(O)C(=O)[O-] O583 [0,0,0,0,1,0|2,0,1]=4 74 B5R0.5 CN(C)C(=S)S 7714AL [0,0,0,0,1,0|2,1,0]=4 75 B5R0.5 C[C@@H](N)C(N)=O Z4641 [0,0,0,0,1,0|2,0,1]=4 76 B5R0.5 NC(=O)C(=O)[O-] Z3402 [0,0,0,0,1,0|3,0,0]=4 77 B7R0.6 C=C(C)CCC(=O)O 0114AA [0,0,0,0,0,1|1,0,2]=4 78 B7R0.6 CC(=O)CNC(C)=O 2096AC [0,0,0,0,0,1|1,0,1]=3 79 B7R0.6 CC(=O)\C=C\N(C)C 3259AA [0,0,0,0,0,1|1,0,0]=2 80 B7R0.6 CC(C)OCC(=O)O 0549AE [0,0,0,0,0,1|1,0,2]=4 81 B7R0.6 C[S+](C)CCC(=O)O 4030AL [0,0,0,0,0,1|2,0,1]=4 82 B7R0.6 O=C(O)\C=C\C(=O)O X2063 [0,0,0,0,0,1|3,0,0]=4 83 B7R0.6 O=C([O-])\C=C/C(=O)O 8175AL [0,0,0,0,0,1|3,0,0]=4 84 B4R0.1 C=CC(=O)[O-] 7016AF [2,0,0,0,0,0|1,0,0]=3 85 B4R0.1 C=CC(C)O 6444AE [2,0,0,0,0,0|0,0,2]=4 86 B4R0.1 CC(=O)O[Cu] X3614 [2,0,0,0,0,0|2,0,0]=4 87 B4R0.1 CC(=O)O[Tl] 6845AF [2,0,0,0,0,0|2,0,0]=4 88 B4R0.1 CC(C)=CBr X6156 [2,0,0,0,0,0|1,0,0]=3 89 B4R0.1 CO[SiH](C)C 3278AL [2,0,0,0,0,0|1,1,0]=4 90 B4R0.2 C\C=C\CC 7309AF [2,0,0,0,0,0|0,0,1]=3 91 B4R0.2 C\C=C\OC 1641AL [2,0,0,0,0,0|1,0,0]=3 92 B6R0.1 C=COC(=O)CC 7389AF [1,1,0,0,0,0|1,0,1]=4 93 B6R0.1 CCNC(=O)CC 8553AL [1,1,0,0,0,0|1,0,1]=4 94 B6R0.1 CCOC(=O)CI 7240AF [1,1,0,0,0,0|1,0,1]=4 95 B6R0.1 CCOC(=O)OC 7884AL [1,1,0,0,0,0|1,0,1]=4 96 B6R0.1 COC(=O)\C=C\I 9331AB [1,1,0,0,0,0|1,0,0]=3 97 B6R0.1 C\C=C\C(=O)CC 2730AL [1,1,0,0,0,0|0,0,0]=2 98 B6R0.3 C=C(C)C(=O)NC 3763AL [1,1,0,0,0,0|1,0,1]=4 99 B6R0.3 C=CN(C)C(C)=O V0612 [1,1,0,0,0,0|1,0,1]=4 100 B6R0.3 CC(=O)C(=O)CBr W6757 [1,1,0,0,0,0|1,0,1]=4 101 B6R0.3 CCC(=O)C(C)=O 7386AF [1,1,0,0,0,0|0,0,1]=3 102 B6R0.3 COC(=N)C(C)C V5712 [1,1,0,0,0,0|1,0,1]=4 103 B6R0.4 C=C\C=C\C(=O)O Z4964 [1,1,0,0,0,0|1,0,1]=4 104 B6R0.4 CCC#CC(C)=O 6057AL [1,1,0,0,0,0|0,0,2]=4 105 B6R0.4 CCCSC(C)=O R568 [1,1,0,0,0,0|0,0,2]=4 106 B6R0.4 CSCCC(C)=O L760 [1,1,0,0,0,0|0,0,2]=4 107 B6R0.4 C\C=N\NC(N)=O 6977AL [1,1,0,0,0,0|2,0,0]=4 108 B6R0.5 CC(C)(C)NC=O 8674AL [1,1,0,0,0,0|1,0,1]=4 109 B6R0.5 C[N+](C)(C)CC=O 0004AQ [1,1,0,0,0,0|1,0,1]=4 110 B6R0.5 C\C=C/P(=O)(O)O 2056AB [1,1,0,0,0,0|2,0,0]=4 111 B6R0.5 C\C=N\C(C)(C)C 0877AC [1,1,0,0,0,0|1,0,1]=4 112 B6R0.7 CC(C)(C)C(=O)[O-] 7339AJ [0,1,0,0,1,0|1,0,1]=4 113 B6R0.7 CC(C)(C)C(=O)[O-] 7340AJ [0,1,0,0,1,0|1,0,1]=4 114 B6R0.7 CC(C)(F)C(=O)O 7217AE [0,1,0,0,1,0|1,0,1]=4 115 B8R0.9 CC(=O)NNC(=O)CCl 2532AE [0,1,0,0,0,1|2,0,0]=4 116 B8R0.9 CC(C)CNC(=O)CCl 0237AE [0,1,0,0,0,1|0,0,2]=4 117 B8R0.9 CNC(=O)CNC(C)=O 4960AH [0,1,0,0,0,1|1,0,1]=4 118 B8R0.23 C=C(C)C(=O)OC(C)C 8106AL [0,1,0,0,0,1|1,0,1]=4 119 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,0,0,0,1|0,0,1]=3 120 B8R0.23 CC(C)CC(=O)C(=O)[O-] 5986AC [0,1,0,0,0,1|1,0,1]=4 121 B8R0.23 CC(C)NC(=O)C(=O)O 9278AD [0,1,0,0,0,1|1,0,1]=4 122 B8R0.29 CC(=O)OC[Si](C)(C)C 9323AL [0,1,0,0,0,1|0,1,1]=4 123 B8R0.2 CC(C)N(C)C(=O)CCl 2328AE [0,2,0,0,0,0|1,0,1]=4 124 B8R0.2 COC(=O)C(F)=C(F)F 2386AE [0,2,0,0,0,0|2,0,0]=4 125 B8R0.2 [C@@H](O)(C(=O)OC)C(C)C 9861AL [0,2,0,0,0,0|0,0,2]=4 126 B8R0.5 CC(C)NC(=O)CCCl 7774AD [0,2,0,0,0,0|1,0,1]=4 127 B8R0.5 CC(C)OC(=O)CCS 6074AL [0,2,0,0,0,0|1,0,1]=4 128 B8R0.19 CCC(C)NC(=O)CCl 0194AE [0,2,0,0,0,0|1,0,1]=4 129 B8R0.24 CC(C)(C)OC(=O)CN 7163AH [0,2,0,0,0,0|1,0,1]=4 130 B8R0.24 CCC(=O)OC(C)(C)C 0517AB [0,2,0,0,0,0|1,0,1]=4 131 B8R0.24 COC(=O)C[Si](C)(C)C 8796AJ [0,2,0,0,0,0|0,1,1]=4 132 B8R0.27 CC(=O)N(C)[Si](C)(C)C 8608AL [0,2,0,0,0,0|1,1,0]=4 133 B8R0.18 CON(C(C)=O)C(C)=O 8592AL [0,2,0,0,0,0|2,0,0]=4 134 B6R1.2 O=C1C=CNN1 X9987 [1,0,0,1,0,0|2,0,0]=4 135 B6R1.2 O=C1C=CSN1 Z3786 [1,0,0,1,0,0|2,0,0]=4 136 B6R1.2 O=C1CCNN1 W3840 [1,0,0,1,0,0|2,0,0]=4 137 B6R1.2 O=C1CCON1 3285AA [1,0,0,1,0,0|2,0,0]=4 138 B6R1.3 O=CNC1CC1 V6779 [1,0,0,1,0,0|1,0,1]=4 139 B6R1.5 CC1CC(=O)O1 7160AL [1,0,0,1,0,0|1,0,1]=4 140 B8R1.3 CC1=NNC(=O)C=C1 6455AJ [0,0,0,1,0,1|2,0,0]=4 141 B8R1.3 CC1=NNC(=O)C=C1 Y9893 [0,0,0,1,0,1|2,0,0]=4 142 B8R1.51 CC1(C)CNC(=O)C1 0268AC [0,0,0,1,0,1|0,0,2]=4 143 B8R1.1 CC1=CC(CO)=NO1 W5683 [0,1,0,1,0,0|1,0,1]=4 144 B8R1.1 CC1=CSC(C=O)=C1 Y9589 [0,1,0,1,0,0|1,0,1]=4 145 B8R1.1 CC1=CSC(CO)=C1 Y9977 [0,1,0,1,0,0|0,1,1]=4 146 B8R1.1 CC1=NOC(CBr)=C1 Y8895 [0,1,0,1,0,0|1,0,1]=4 147 B8R1.1 CC1=NOC(CO)=C1 Y7569 [0,1,0,1,0,0|1,0,1]=4 148 B8R1.1 COC1=CC(=O)CC1 6398AB [0,1,0,1,0,0|0,0,0]=2 149 B8R1.1 COC1=CC(=O)OC1 1405AQ [0,1,0,1,0,0|1,0,0]=3 150 B8R1.1 NCC1CCC(=O)N1 2507AA [0,1,0,1,0,0|1,0,1]=4 151 B8R1.1 O=C1C=C(CBr)CO1 5995AJ [0,1,0,1,0,0|1,0,0]=3 152 B8R1.1 O=C1CCC(CBr)O1 3312AH [0,1,0,1,0,0|1,0,1]=4 153 B8R1.1 O=C1CCC(CO)O1 X3393 [0,1,0,1,0,0|1,0,1]=4 154 B8R1.1 O=C1CC[C@@H](CBr)N1 W8109 [0,1,0,1,0,0|1,0,1]=4 155 B8R1.1 O=C1CC[C@@H](CO)O1 N841 [0,1,0,1,0,0|1,0,1]=4 156 B8R1.1 O=C1CC[C@H](CBr)N1 W9851 [0,1,0,1,0,0|1,0,1]=4 157 B8R1.1 O=C1CC[C@H](CO)O1 B249 [0,1,0,1,0,0|1,0,1]=4 158 B8R1.4 CC1CC(=O)CCN1 6568AA [0,1,0,1,0,0|0,0,2]=4 159 B8R1.4 CC1CC(=O)CCO1 3309AA [0,1,0,1,0,0|0,0,2]=4 160 B8R1.4 CN1CCOC(=O)C1 9637AA [0,1,0,1,0,0|1,0,1]=4 161 B8R1.4 O=C1CNCC(=O)N1 W6436 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.4 O=C1COCC(=O)C1 9192AB [0,1,0,1,0,0|1,0,1]=4 163 B8R1.18 CC1=CC(Br)=NN1C Z2700 [0,1,0,1,0,0|2,0,0]=4 164 B8R1.18 CC1=CC(C)=C(Br)S1 0587AQ [0,1,0,1,0,0|0,1,1]=4 165 B8R1.18 CC1=CC(N)=NN1C Z2262 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.18 CC1=NC(C)=C(C)O1 0593AB [0,1,0,1,0,0|1,0,1]=4 167 B8R1.18 CC1=NN(C)C(Br)=C1 Y9520 [0,1,0,1,0,0|2,0,0]=4 168 B8R1.18 N[C@@H]1CC(=O)OC1=O W3122 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.40 NCC(=O)NC1CC1 3544AA [0,1,0,1,0,0|1,0,1]=4 170 B8R1.40 O=C(CCl)NC1CC1 Y8105 [0,1,0,1,0,0|1,0,1]=4 171 B8R1.50 CC1=C(O)COC1=O 2737AL [0,1,0,1,0,0|2,0,0]=4 172 B8R1.50 CC1=NNC(C)=C1Cl 5060AD [0,1,0,1,0,0|2,0,0]=4 173 B8R1.50 CC1=NOC(C)=C1N V0678 [0,1,0,1,0,0|1,0,1]=4 174 B8R1.50 CC1CCC(=O)C1=O 6795AA [0,1,0,1,0,0|0,0,1]=3 175 B8R1.50 NN1C(=O)CCC1=O 8496AL [0,1,0,1,0,0|2,0,0]=4 176 B8R1.50 O=C1CCC(=O)N1O 4715AH [0,1,0,1,0,0|2,0,0]=4 177 B8R1.50 O=C1OCC(Br)=C1Br 4605AD [0,1,0,1,0,0|2,0,0]=4 178 B8R0.28 CC(=O)CCCC(C)C 5697AC [0,0,0,0,0,2|0,0,2]=4 179 B8R0.28 CC(=O)CCOC(C)=O 0405AA [0,0,0,0,0,2|1,0,1]=4 180 B8R0.28 CC(=O)OCC=C(C)C 3268AA [0,0,0,0,0,2|0,0,0]=2 181 B8R0.28 CC(=O)OCCN(C)C 6940AA [0,0,0,0,0,2|1,0,1]=4 182 B8R0.28 CC(=O)OCOC(C)=O 9512AB [0,0,0,0,0,2|1,0,1]=4 183 B8R0.28 CC(=O)O[Ca]OC(C)=O 7185AF [0,0,0,0,0,2|2,0,0]=4 184 B8R0.28 CC(=O)O[Fe]OC(C)=O 3281AB [0,0,0,0,0,2|2,0,0]=4 185 B8R0.28 CC(=O)O[Ni]OC(C)=O 7210AF [0,0,0,0,0,2|2,0,0]=4 186 B8R0.28 CC(=O)O[Pd]OC(C)=O 8735AL [0,0,0,0,0,2|2,0,0]=4 187 B8R0.28 CC(=O)\C=C\C=C(C)C 8087AA [0,0,0,0,0,2|0,0,0]=2 188 B8R0.28 CC(=O)\C=C\CC(C)C 2964AL [0,0,0,0,0,2|0,0,1]=3