0 B7R0.5 C=COC(=O)C(=C)C 9402AL [0,0,0,0,0,0|1,0,3]=4 1 B7R0.5 CC(C)C(=O)CC#N W5204 [0,0,0,0,0,0|3,0,1]=4 2 B7R0.5 CCOC(=O)C(Cl)Cl 7192AF [0,0,0,0,0,0|2,0,0]=2 3 B7R0.5 CCOC(=O)C(F)Cl 2611AE [0,0,0,0,0,0|2,0,0]=2 4 B7R0.5 CCOC(=O)C(F)I 2612AE [0,0,0,0,0,0|2,0,0]=2 5 B6R0.1 C=COC(=O)CC 7389AF [1,0,0,0,0,0|0,0,2]=3 6 B6R0.1 CCC(=O)CC#N 0486AE [1,0,0,0,0,0|2,0,1]=4 7 B6R0.1 CCNC(=O)CC 8553AL [1,0,0,0,0,0|1,0,0]=2 8 B6R0.1 CCOC(=O)CI 7240AF [1,0,0,0,0,0|1,0,0]=2 9 B6R0.1 CCOC(=O)NO 6247AE [1,0,0,0,0,0|1,1,0]=3 10 B6R0.1 CCOC(=O)OC 7884AL [1,0,0,0,0,0|1,0,0]=2 11 B6R0.1 CNC(=O)CCN 4757AE [1,0,0,0,0,0|3,0,0]=4 12 B6R0.1 COC(=O)OCCl 0229AP [1,0,0,0,0,0|2,0,0]=3 13 B6R0.1 C\C=C\C(=O)CC 2730AL [1,0,0,0,0,0|1,0,1]=3 14 B6R0.3 C=C(C)C(=O)NC 3763AL [1,0,0,0,0,0|2,0,1]=4 15 B6R0.3 CC(=O)C(=O)CBr W6757 [1,0,0,0,0,0|1,1,1]=4 16 B6R0.3 CC(C)C(=O)CBr W4222 [1,0,0,0,0,0|2,0,0]=3 17 B6R0.3 CCC(=O)C(C)=O 7386AF [1,0,0,0,0,0|0,1,1]=3 18 B6R0.3 CCC(O)C(C)C 8275AB [1,0,0,0,0,0|1,0,2]=4 19 B6R0.3 CN(C)C(=O)CN Z5718 [1,0,0,0,0,0|3,0,0]=4 20 B6R0.3 CN(C)C(=O)CO 4466AD [1,0,0,0,0,0|3,0,0]=4 21 B6R0.3 CNC(=O)C(C)Cl 3091AE [1,0,0,0,0,0|2,0,0]=3 22 B6R0.3 CNC(=O)C(F)Br 5096AE [1,0,0,0,0,0|3,0,0]=4 23 B6R0.3 CNC(=O)C(F)I 1593AF [1,0,0,0,0,0|3,0,0]=4 24 B6R0.3 COC(=N)C(C)C V5712 [1,0,0,0,0,0|2,0,0]=3 25 B6R0.3 COC(C)C(C)O V6491 [1,0,0,0,0,0|1,1,1]=4 26 B6R0.4 CCCSC(C)C 8111AL [1,0,0,0,0,0|3,0,0]=4 27 B8R0.3 CCCC(=O)C(=O)OC 8222AL [0,1,0,0,0,0|1,1,1]=4 28 B8R0.3 CCCC(=O)N(C)OC 1862AA [0,1,0,0,0,0|2,1,0]=4 29 B8R0.3 CCOC(=O)C(=O)CC W3459 [0,1,0,0,0,0|0,1,1]=3 30 B8R0.3 CCOC(=O)C(C)CN X7010 [0,1,0,0,0,0|1,0,0]=2 31 B8R0.3 CCOC(=O)C(Cl)CCl 7382AF [0,1,0,0,0,0|1,0,0]=2 32 B8R0.3 CCOC(=O)C(Cl)CCl X7347 [0,1,0,0,0,0|1,0,0]=2 33 B8R0.3 CCOC(=O)C(N)C#N X3969 [0,1,0,0,0,0|1,0,1]=3 34 B8R0.3 CCOC(=O)C(O)CC 5067AH [0,1,0,0,0,0|0,1,0]=2 35 B8R0.8 C=CCOC(=O)[C@H](C)N V4209 [0,1,0,0,0,0|1,0,1]=3 36 B8R0.8 CCCOC(=O)C(C)C 8881AL [0,1,0,0,0,0|1,0,0]=2 37 B8R0.8 CCCOC(=O)C(C)O 8130AL [0,1,0,0,0,0|0,1,0]=2 38 B8R0.14 C=COC(=O)C(C)(C)C 9404AL [0,1,0,0,0,0|1,0,2]=4 39 B8R0.14 CCOC(=O)C(Br)(Br)Br 1206AQ [0,1,0,0,0,0|2,0,0]=3 40 B8R0.14 CCOC(=O)C(C)(C)C 7793AF [0,1,0,0,0,0|1,0,0]=2 41 B8R0.14 CCOC(=O)C(C)(C)N V3777 [0,1,0,0,0,0|1,0,0]=2 42 B8R0.14 CCOC(=O)C(F)(F)I 1907AC [0,1,0,0,0,0|2,0,0]=3 43 B8R0.23 C=C(C)C(=O)OC(C)C 8106AL [0,1,0,0,0,0|1,0,1]=3 44 B8R0.23 CC(=O)CC(=O)C(C)C 8868AE [0,1,0,0,0,0|2,0,1]=4 45 B8R0.23 CC(C)CC(=O)N(C)C 5171AE [0,1,0,0,0,0|3,0,0]=4 46 B8R0.23 CC(C)OC(=O)C(C)C 7796AF [0,1,0,0,0,0|1,0,0]=2 47 B8R0.23 CC(C)OC(=O)[C@H](C)N V5718 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.5 CC1CCCNC1=O Y8918 [0,0,0,1,0,0|2,0,0]=3 49 B8R1.5 CC1CNCCC1=O W6393 [0,0,0,1,0,0|3,0,0]=4 50 B8R1.5 CC1SCCNC1=O 8229AE [0,0,0,1,0,0|1,0,0]=2 51 B8R1.5 CN1CCCNC1=O 7411AC [0,0,0,1,0,0|3,0,0]=4 52 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [0,0,0,1,0,0|2,0,0]=3 53 B8R1.5 C[C@H]1NCCNC1=O 5574AC [0,0,0,1,0,0|2,0,0]=3 54 B8R1.5 N[C@@H]1CCCNC1=O 4809AJ [0,0,0,1,0,0|2,0,0]=3 55 B8R1.5 N[C@H]1CCCNC1=O 5871AB [0,0,0,1,0,0|2,0,0]=3 56 B8R1.5 O=C1NCCCC1O W4139 [0,0,0,1,0,0|1,1,0]=3 57 B8R1.18 C=C1CC(C)OC1=O 7069AL [0,0,0,1,0,0|1,0,1]=3 58 B8R1.18 C[C@@H]1NC(=O)OC1=O Z1644 [0,0,0,1,0,0|2,0,1]=4 59 B8R1.18 N[C@@H]1CC(=O)OC1=O W3122 [0,0,0,1,0,0|2,0,1]=4 60 B8R1.19 CC1(C)CCNC1=O 4182AE [0,0,0,1,0,0|2,0,0]=3 61 B8R1.37 CCOC(=N)C1CC1 9615AB [0,0,0,1,0,0|2,0,0]=3 62 B8R0.5 CC(C)NC(=O)CCCl 7774AD [0,0,0,0,0,1|3,0,0]=4 63 B8R0.5 CC(C)OC(=O)CCS 6074AL [0,0,0,0,0,1|3,0,0]=4 64 B8R0.5 CCOC(=O)CC(=N)N W7089 [0,0,0,0,0,1|2,0,1]=4 65 B8R0.5 CCOC(=O)CC(C)N W6751 [0,0,0,0,0,1|1,0,0]=2 66 B8R0.5 CCOC(=O)CC(N)=S 6448AA [0,0,0,0,0,1|1,0,2]=4 67 B5R0.1 C=C(C)CCC 5700AL [2,0,0,0,0,0|2,0,0]=4 68 B5R0.1 CNOC(C)=O 8699AL [2,0,0,0,0,0|1,0,0]=3 69 B5R0.1 COCC(C)=O U020 [2,0,0,0,0,0|2,0,0]=4 70 B5R0.1 COCC(C)N 0442AC [2,0,0,0,0,0|1,0,1]=4 71 B5R0.1 COC[C@@H](C)N W7467 [2,0,0,0,0,0|1,0,1]=4 72 B5R0.1 CSCC(C)=O Y1373 [2,0,0,0,0,0|2,0,0]=4 73 B5R0.2 CC\C=C/CC 7431AL [2,0,0,0,0,0|1,0,0]=3 74 B5R0.2 CC\C=C/CO 3214AL [2,0,0,0,0,0|1,1,0]=4 75 B5R0.2 CC\C=C\CC 3771AD [2,0,0,0,0,0|1,0,0]=3 76 B5R0.3 CCC(=O)NC 7273AF [2,0,0,0,0,0|1,0,0]=3 77 B5R0.3 CCC(=O)NN 6023AE [2,0,0,0,0,0|2,0,0]=4 78 B5R0.3 CCC(C)CC 6117AL [2,0,0,0,0,0|1,0,1]=4 79 B5R0.3 CCN(C)CC 7490AH [2,0,0,0,0,0|2,0,0]=4 80 B5R0.3 COS(=O)OC 6871AF [2,0,0,0,0,0|2,0,0]=4 81 B5R0.5 CC(=O)N(C)C B355 [2,0,0,0,0,0|2,0,0]=4 82 B5R0.5 CC(=O)[C@H](C)N 2350AA [2,0,0,0,0,0|1,0,0]=3 83 B5R0.5 CC(C)C(=O)[O-] 7249AF [2,0,0,0,0,0|1,0,1]=4 84 B5R0.5 CC(Cl)C(N)=O 9013AD [2,0,0,0,0,0|2,0,0]=4 85 B5R0.5 CC(N)C(N)=O 9942AE [2,0,0,0,0,0|2,0,0]=4 86 B5R0.5 CC(N)C(N)=O V6080 [2,0,0,0,0,0|2,0,0]=4 87 B5R0.5 CC(O)C(=O)[O-] 7038AF [2,0,0,0,0,0|0,1,1]=4 88 B5R0.5 CC(O)C(=O)[O-] O583 [2,0,0,0,0,0|0,1,1]=4 89 B5R0.5 CC(S)C(C)S 9352AJ [2,0,0,0,0,0|0,1,1]=4 90 B5R0.5 C[C@@H](N)C(N)=O Z4641 [2,0,0,0,0,0|2,0,0]=4 91 B5R0.5 O=C(O)C(Br)Br 6811AF [2,0,0,0,0,0|2,0,0]=4 92 B7R0.2 CC(C)NC(=O)CN 6712AE [1,1,0,0,0,0|2,0,0]=4 93 B7R0.2 CC(C)OC(=O)CN Y6052 [1,1,0,0,0,0|1,0,0]=3 94 B7R0.2 CCC(=O)CC(C)C 9385AB [1,1,0,0,0,0|1,0,0]=3 95 B7R0.2 CCC(=O)OC(C)C 7522AF [1,1,0,0,0,0|0,0,0]=2 96 B7R0.2 COC(=O)CC(C)C 8842AJ [1,1,0,0,0,0|2,0,0]=4 97 B7R0.3 C=CCOC(=O)OC Z3261 [1,1,0,0,0,0|1,0,1]=4 98 B7R0.3 CCCCC(=O)CC 7786AF [1,1,0,0,0,0|1,0,0]=3 99 B7R0.3 CCCNC(=O)CN V6930 [1,1,0,0,0,0|2,0,0]=4 100 B7R0.3 CCCOC(=O)CBr U694 [1,1,0,0,0,0|1,0,0]=3 101 B7R0.3 CCCOC(=O)CC 7524AF [1,1,0,0,0,0|0,0,0]=2 102 B7R0.3 COC(=O)CCCN 3563AL [1,1,0,0,0,0|2,0,0]=4 103 B7R0.7 CCNC(=O)CC#N 4652AD [1,1,0,0,0,0|1,0,1]=4 104 B7R0.7 CCNC(=O)CCCl 3193AE [1,1,0,0,0,0|1,0,0]=3 105 B7R0.7 CCOC(=O)OCCl Z4637 [1,1,0,0,0,0|1,0,0]=3 106 B7R0.7 CCOC(=O)\C=C\I V5131 [1,1,0,0,0,0|0,0,2]=4 107 B7R0.7 CCOC(=O)\C=C\[O-] 8763AB [1,1,0,0,0,0|0,0,2]=4 108 B7R0.7 CCOC(C)OCC U086 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.7 COCC(=O)COC 9752AA [1,1,0,0,0,0|2,0,0]=4 110 B7R0.7 O=C(CCO)CCO 5879AB [1,1,0,0,0,0|2,0,0]=4 111 B7R0.10 CC[C@H](O)C(=O)OC 9869AL [1,1,0,0,0,0|2,0,0]=4 112 B7R0.13 CCS(=O)(=O)C(C)C 7881AL [1,1,0,0,0,0|2,0,0]=4 113 B7R0.14 CC(C)(C)C(=O)CN 3787AB [1,1,0,0,0,0|2,0,0]=4 114 B7R0.14 CCC(=O)C(C)(C)C Y9483 [1,1,0,0,0,0|1,0,0]=3 115 B7R0.14 CNC(=O)C(C)(C)Br V7364 [1,1,0,0,0,0|2,0,0]=4 116 B7R0.14 COC(=O)C(F)(F)Cl 8839AJ [1,1,0,0,0,0|2,0,0]=4 117 B7R0.16 CC(Br)C(=O)C(C)Br 0261AQ [1,1,0,0,0,0|1,0,0]=3 118 B7R0.16 CC(N)C(=O)N(C)C 3024AD [1,1,0,0,0,0|2,0,0]=4 119 B9R0.6 CCOC(=O)C(=O)C(C)Br 5871AE [0,1,0,0,0,1|1,0,0]=3 120 B9R0.6 CCOC(=O)C(N)C(C)=O W4269 [0,1,0,0,0,1|0,1,1]=4 121 B9R0.6 CCOC(=O)[C@@H](N)[C@@H](C)O 5285AB [0,1,0,0,0,1|0,1,0]=3 122 B9R0.34 CCOC(=O)CC(O)CCl X6126 [0,1,0,0,0,1|0,1,0]=3 123 B9R0.34 CCOC(=O)\C=C(\C)NC X6618 [0,1,0,0,0,1|1,0,1]=4 124 B9R0.44 CCNC(=O)OC(C)(C)C V5615 [0,1,0,0,0,1|2,0,0]=4 125 B9R0.44 CCOC(=O)CC(C)(C)C 3423AL [0,1,0,0,0,1|1,0,0]=3 126 B9R0.44 CCOC(=O)CC(C)(C)N W8811 [0,1,0,0,0,1|1,0,0]=3 127 B9R0.53 CC(C)CC(=O)CC(C)C 1756AA [0,1,0,0,0,1|2,0,0]=4 128 B9R0.53 CC(C)NC(=O)NC(C)C 2911AE [0,1,0,0,0,1|2,0,0]=4 129 B9R0.53 CC(C)OS(=O)OC(C)C 6518AB [0,1,0,0,0,1|2,0,0]=4 130 B9R0.8 CCCOC(=O)C(C)CC 4721AB [0,2,0,0,0,0|1,0,0]=3 131 B9R0.19 CCOC(=O)C(C)(C)CN 4058AJ [0,2,0,0,0,0|1,0,0]=3 132 B9R0.19 CCOC(=O)C(C)(C)CN V7825 [0,2,0,0,0,0|1,0,0]=3 133 B9R0.19 CCOC(=O)C(C)(C)CO W3060 [0,2,0,0,0,0|0,1,0]=3 134 B9R0.19 CCOC(=O)C(F)(F)CBr X0330 [0,2,0,0,0,0|1,0,0]=3 135 B9R0.35 CCCC(=O)C(O)CCC 6732AB [0,2,0,0,0,0|1,1,0]=4 136 B9R0.35 CCOC(=N)C(=O)OCC Z5154 [0,2,0,0,0,0|1,0,1]=4 137 B9R0.35 CCOC(=O)C(=O)CC#N Y1142 [0,2,0,0,0,0|0,1,1]=4 138 B9R0.37 CCOC(=O)C(C#N)CC 8192AA [0,2,0,0,0,0|1,0,0]=3 139 B9R0.37 CCOC(=O)C(CBr)CBr 8678AB [0,2,0,0,0,0|1,0,0]=3 140 B9R0.47 CCCCOC(=O)[C@H](C)N W5153 [0,2,0,0,0,0|1,0,0]=3 141 B9R0.10 CC(C)OC(=O)C(F)(F)F 2537AE [0,2,0,0,0,0|2,0,0]=4 142 B7R1.1 CCC1=NCCN1 5611AL [1,0,0,1,0,0|2,0,0]=4 143 B7R1.2 CC1CCC(=O)N1 1659AA [1,0,0,1,0,0|1,0,0]=3 144 B7R1.2 CC1COC(=O)N1 5156AD [1,0,0,1,0,0|2,0,0]=4 145 B7R1.2 C[C@@H]1COC(=O)N1 5441AB [1,0,0,1,0,0|2,0,0]=4 146 B7R1.2 C[C@H]1COC(=O)N1 5440AB [1,0,0,1,0,0|2,0,0]=4 147 B7R1.2 O=C1OCC(Cl)O1 E933 [1,0,0,1,0,0|2,0,0]=4 148 B7R1.3 O=C1CCCNC1 7001AB [1,0,0,1,0,0|2,0,0]=4 149 B7R1.3 O=C1CCCSC1 Z4344 [1,0,0,1,0,0|1,0,0]=3 150 B7R1.3 O=C1CCNCC1 5781AB [1,0,0,1,0,0|2,0,0]=4 151 B7R1.3 O=C1COCCO1 3182AB [1,0,0,1,0,0|0,1,0]=3 152 B7R1.4 CC1CCNC1=O Y8455 [1,0,0,1,0,0|1,0,0]=3 153 B7R1.4 CC1CCOC1=O W3659 [1,0,0,1,0,0|0,0,0]=2 154 B7R1.4 CC1CSCC1=O 6972AB [1,0,0,1,0,0|2,0,0]=4 155 B7R1.4 CC1SCCC1=O 6512AA [1,0,0,1,0,0|2,0,0]=4 156 B7R1.4 NC1CCNC1=O 0020AD [1,0,0,1,0,0|2,0,0]=4 157 B7R1.4 O=C1OCCC1O 0071AB [1,0,0,1,0,0|0,1,0]=3 158 B7R1.4 O=C1OCC[C@H]1O 8329AB [1,0,0,1,0,0|0,1,0]=3 159 B9R1.34 CC1CC(=O)CC(C)O1 1555AA [0,0,0,1,0,1|1,1,0]=4 160 B9R1.41 CC(=O)N1CCOC1=O 1403AQ [0,0,0,1,0,1|0,1,1]=4 161 B9R1.66 CC1(O)CCOC(=O)C1 I616 [0,0,0,1,0,1|0,1,0]=3 162 B9R1.5 NC1CCCCNC1=O W5198 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.5 N[C@@H]1CCCCNC1=O 2227AB [0,1,0,1,0,0|2,0,0]=4 164 B9R1.5 N[C@@H]1CCCCNC1=O W5158 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.5 N[C@H]1CCCCNC1=O V2119 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.15 COC1CCCCC1=O 5686AL [0,1,0,1,0,0|1,1,0]=4 167 B9R1.15 N#CC1CCCCC1=O 6221AB [0,1,0,1,0,0|2,0,0]=4 168 B9R1.73 CCOC(=O)C1CCC1 V0726 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.73 CCOC(=O)C1CNC1 W6099 [0,1,0,1,0,0|1,0,0]=3 170 B9R1.74 CCOC(=O)C1(C)CC1 W8035 [0,1,0,1,0,0|1,0,0]=3 171 B9R1.40 CC1(C)NCCNC1=O W4622 [0,1,0,1,0,0|2,0,0]=4 172 B9R2.109 O=C1CCCC2OC12 7860AE [0,0,0,2,0,0|1,1,0]=4 173 B9R0.48 CCOC(=O)CCC(C)C 6706AH [0,0,0,0,0,2|1,0,0]=3 174 B9R0.48 CCOC(=O)\C=C\C(C)=O 1161AL [0,0,0,0,0,2|0,1,1]=4