0 B7R0.4 C=C(C)CCCCC 5698AL [0,0,0,0,0,0|2,0,2]=4 1 B7R0.4 C=CCSCC(=O)O 6981AD [0,0,0,0,0,0|1,0,3]=4 2 B7R0.4 CC(=O)NCCCN V5818 [0,0,0,0,0,0|3,0,1]=4 3 B7R0.4 CC(=O)NCCCN V6432 [0,0,0,0,0,0|3,0,1]=4 4 B7R0.4 CC(=O)NCCCO 8280AC [0,0,0,0,0,0|3,0,1]=4 5 B7R0.4 CC(C)=C=CCCO 0509AQ [0,0,0,0,0,0|3,0,1]=4 6 B7R0.4 CCCCNC(C)=O 7541AF [0,0,0,0,0,0|2,0,1]=3 7 B7R0.4 CCOCCC(C)=O 6489AL [0,0,0,0,0,0|2,0,2]=4 8 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [0,0,0,0,0,0|2,0,0]=2 9 B7R0.4 CCSCCC(=O)O 8721AE [0,0,0,0,0,0|1,0,2]=3 10 B7R0.4 COCCNC(N)=O V4427 [0,0,0,0,0,0|3,0,1]=4 11 B7R0.4 C\C=C\C=C\C(=O)Cl Y2082 [0,0,0,0,0,0|1,0,2]=3 12 B6R0.4 C=C(C)CCCC 5699AL [1,0,0,0,0,0|2,0,1]=4 13 B6R0.4 CC(=O)CCCBr W5938 [1,0,0,0,0,0|2,0,1]=4 14 B6R0.4 CC(=O)NCCCl W8163 [1,0,0,0,0,0|3,0,0]=4 15 B6R0.4 CC(=O)OCCCl 7237AF [1,0,0,0,0,0|3,0,0]=4 16 B6R0.4 CC(=O)SCCN 5884AD [1,0,0,0,0,0|3,0,0]=4 17 B6R0.4 CCCC=C(C)C 5704AL [1,0,0,0,0,0|2,0,0]=3 18 B6R0.4 CCCCC(=O)Br 7391AF [1,0,0,0,0,0|1,0,1]=3 19 B6R0.4 CCCCC(C)O 9467AB [1,0,0,0,0,0|1,0,2]=4 20 B6R0.4 CCCO[N+](=O)[O-] X5340 [1,0,0,0,0,0|2,0,1]=4 21 B6R0.4 CC\C=C\C(=O)O 6805AA [1,0,0,0,0,0|0,0,0]=1 22 B6R0.4 CSCCC(=O)Cl 6126AL [1,0,0,0,0,0|2,0,1]=4 23 B6R0.4 FC(F)=CCCBr 4541AD [1,0,0,0,0,0|3,0,0]=4 24 B6R0.4 O=C(O)C#CCO 1204AC [1,0,0,0,0,0|1,0,2]=4 25 B6R0.4 OB(O)\C=C\CCl 0985AB [1,0,0,0,0,0|2,0,1]=4 26 B6R0.6 C=CCSCCC R577 [1,0,0,0,0,0|2,0,1]=4 27 B6R0.6 CC=C=CCCO 1076AQ [1,0,0,0,0,0|2,0,1]=4 28 B6R0.6 CCC\C=C/CO 7423AL [1,0,0,0,0,0|0,0,1]=2 29 B6R0.6 CC\C=C\CCC 9219AL [1,0,0,0,0,0|1,0,1]=3 30 B6R0.6 C\C=C/CCCC 7422AL [1,0,0,0,0,0|1,0,1]=3 31 B6R0.6 C\C=C/CCCCl 7455AL [1,0,0,0,0,0|2,0,1]=4 32 B6R0.6 C\C=C\CCCC 7780AF [1,0,0,0,0,0|1,0,1]=3 33 B6R0.6 C\C=C\SCCC U946 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.5 CCOC(=O)NC(N)=O 7871AL [0,1,0,0,0,0|3,0,0]=4 35 B8R0.5 CN(CCO)CC(=O)O 8726AD [0,1,0,0,0,0|2,0,1]=4 36 B8R0.6 C=CC(=O)NCCCC 2114AB [0,1,0,0,0,0|2,0,1]=4 37 B8R0.6 CCCCNC(=O)CCl W6790 [0,1,0,0,0,0|2,0,1]=4 38 B8R0.6 CCCCNC(=O)CN 7049AD [0,1,0,0,0,0|2,0,1]=4 39 B8R0.6 CCCCOC(=O)CF 1832AE [0,1,0,0,0,0|2,0,1]=4 40 B8R0.6 CCCCOC(=O)CN 3583AD [0,1,0,0,0,0|2,0,1]=4 41 B8R0.6 CCNCCC(=O)OC 6995AJ [0,1,0,0,0,0|1,0,2]=4 42 B8R0.6 COC(=O)CCCCN 9801AB [0,1,0,0,0,0|1,0,2]=4 43 B8R0.7 CCCC\C=C\C(=O)O 6400AD [0,1,0,0,0,0|0,0,0]=1 44 B8R0.7 COCCCNC(N)=O 8899AC [0,1,0,0,0,0|2,0,1]=4 45 B8R0.7 NC(=O)CCCCCO 3555AJ [0,1,0,0,0,0|1,0,2]=4 46 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,1,0,0,0,0|1,0,1]=3 47 B8R0.8 CCCCC(N)C(N)=O 6641AH [0,1,0,0,0,0|1,0,2]=4 48 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,1,0,0,0,0|1,0,0]=2 49 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,1,0,0,0,0|2,0,1]=4 50 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,1,0,0,0,0|1,0,1]=3 51 B8R0.8 CSCCC(O)C(=O)O 5652AL [0,1,0,0,0,0|1,0,2]=4 52 B8R0.9 CCC(=O)NCC(=O)O 7387AD [0,1,0,0,0,0|1,0,2]=4 53 B8R0.9 CCC(C)COC(C)=O 1426AQ [0,1,0,0,0,0|2,0,1]=4 54 B8R0.9 COC(=O)\C=C\C(C)=O 7011AL [0,1,0,0,0,0|2,0,1]=4 55 B8R0.28 CC(C)CCOC(=O)Cl 6828AJ [0,1,0,0,0,0|2,0,1]=4 56 B8R0.28 CC(C)C\C=C\B(O)O X0620 [0,1,0,0,0,0|1,0,1]=3 57 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [0,1,0,0,0,0|2,0,1]=4 58 B8R0.28 CN(C)C\C=C\C(=O)O 1119AQ [0,1,0,0,0,0|1,0,0]=2 59 B8R1.1 CCC1COC(=O)N1 5157AD [0,0,0,1,0,0|2,0,1]=4 60 B8R1.1 CCN1C=CC(Br)=N1 1225AD [0,0,0,1,0,0|3,0,0]=4 61 B8R1.1 CCN1C=CC(C)=N1 9609AD [0,0,0,1,0,0|3,0,0]=4 62 B8R1.1 CCN1C=CC(I)=N1 X6246 [0,0,0,1,0,0|3,0,0]=4 63 B8R1.1 O=C1NCC(CO)O1 V7609 [0,0,0,1,0,0|2,0,1]=4 64 B8R1.1 OCC1=CC=C(Br)O1 Z4532 [0,0,0,1,0,0|2,0,1]=4 65 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,0,0,1,0,0|1,0,2]=4 66 B8R1.4 CC1COCC(=O)N1 V7159 [0,0,0,1,0,0|2,0,1]=4 67 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,0,0,1,0,0|2,0,1]=4 68 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,0,0,1,0,0|2,0,1]=4 69 B8R1.4 C[C@H]1COCC(=O)N1 Z8132 [0,0,0,1,0,0|2,0,1]=4 70 B8R1.7 CC(=O)N1CCCC1 4743AL [0,0,0,1,0,0|2,0,1]=4 71 B8R1.7 O=C(O)C1=COCC1 W9830 [0,0,0,1,0,0|1,0,0]=2 72 B8R1.7 O=C(O)C1=NSC=C1 6302AB [0,0,0,1,0,0|2,0,1]=4 73 B8R1.7 O=C(O)C1C=CCO1 1916AL [0,0,0,1,0,0|1,0,2]=4 74 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,0,0,1,0,0|1,0,1]=3 75 B8R1.7 O=C(O)[C@@H]1CCOC1 W7757 [0,0,0,1,0,0|1,0,2]=4 76 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [0,0,0,1,0,0|1,0,2]=4 77 B8R1.22 BrC1=CCCCCC1 V3936 [0,0,0,1,0,0|2,0,1]=4 78 B8R1.22 O=C1CCCCNC1 0003AC [0,0,0,1,0,0|2,0,1]=4 79 B8R1.34 O=C(O)C=C1CCC1 1680AJ [0,0,0,1,0,0|0,0,0]=1 80 B8R1.34 O=C(O)CC1CNC1 1241AJ [0,0,0,1,0,0|1,0,2]=4 81 B8R1.35 O=C(O)C#CC1CC1 0479AQ [0,0,0,1,0,0|0,0,2]=3 82 B8R1.35 OB(O)\C=C\C1CC1 V8900 [0,0,0,1,0,0|1,0,1]=3 83 B5R0.1 CCC=C(C)C 7499AF [2,0,0,0,0,0|2,0,0]=4 84 B5R0.1 CNCC(C)=O 4565AF [2,0,0,0,0,0|2,0,0]=4 85 B5R0.1 C\C=C\B(O)O X4905 [2,0,0,0,0,0|1,0,1]=4 86 B5R0.1 C\C=C\C(N)=O 7909AD [2,0,0,0,0,0|1,0,0]=3 87 B5R0.1 NC(=O)CCO 8063AJ [2,0,0,0,0,0|2,0,0]=4 88 B5R0.1 O=C(O)CCF 6350AB [2,0,0,0,0,0|1,0,0]=3 89 B5R0.1 O=C(O)\C=C/Br V3608 [2,0,0,0,0,0|1,0,0]=3 90 B5R0.1 O=C(O)\C=C/I 9333AB [2,0,0,0,0,0|1,0,0]=3 91 B5R0.1 O=C(O)\C=C\I V7047 [2,0,0,0,0,0|1,0,0]=3 92 B5R0.2 C=CCCCN 7616AH [2,0,0,0,0,0|1,0,1]=4 93 B5R0.2 C=CCOCC 5601AE [2,0,0,0,0,0|1,0,1]=4 94 B5R0.2 CCC\C=N\O 7272AF [2,0,0,0,0,0|1,0,0]=3 95 B5R0.2 CC\C=C\C#N 5776AL [2,0,0,0,0,0|1,0,1]=4 96 B7R0.2 CCC(N)CC(=O)O 2363AL [1,1,0,0,0,0|0,0,1]=3 97 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [1,1,0,0,0,0|0,0,1]=3 98 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [1,1,0,0,0,0|0,0,1]=3 99 B7R0.2 CNC(=O)CC(=O)O 3048AE [1,1,0,0,0,0|1,0,1]=4 100 B7R0.2 CN\C(C)=C\C(C)=O 3696AC [1,1,0,0,0,0|2,0,0]=4 101 B7R0.2 COC(C)CC(=O)O 0132AA [1,1,0,0,0,0|1,0,1]=4 102 B7R0.2 NCC(N)CC(=O)O 5843AA [1,1,0,0,0,0|1,0,1]=4 103 B7R0.3 C=CC(=O)NCCC 3769AL [1,1,0,0,0,0|2,0,0]=4 104 B7R0.3 CCC\C=C(/C)CC 6104AL [1,1,0,0,0,0|2,0,0]=4 105 B7R0.3 CCNCC(=O)OC 2143AA [1,1,0,0,0,0|1,0,1]=4 106 B7R0.3 CCNCC(=O)OC 2988AC [1,1,0,0,0,0|1,0,1]=4 107 B7R0.3 CNCCC(=O)OC 1857AB [1,1,0,0,0,0|1,0,1]=4 108 B7R0.3 CNCCC(=O)OC X3419 [1,1,0,0,0,0|1,0,1]=4 109 B7R0.3 COC(=O)CCCS X9990 [1,1,0,0,0,0|1,0,1]=4 110 B7R0.3 CO\C=C\C(=O)OC W5649 [1,1,0,0,0,0|1,0,0]=3 111 B7R0.3 C\C=C\CC(=O)OC 9761AJ [1,1,0,0,0,0|0,0,2]=4 112 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [1,1,0,0,0,0|0,0,1]=3 113 B7R0.5 CCSC(C)C(=O)O 6924AD [1,1,0,0,0,0|1,0,1]=4 114 B7R0.5 COCC(Cl)C(=O)O 2065AB [1,1,0,0,0,0|1,0,1]=4 115 B7R0.5 NC(CCBr)C(=O)O 1883AC [1,1,0,0,0,0|1,0,1]=4 116 B7R0.5 NCCC(N)C(=O)O W7673 [1,1,0,0,0,0|1,0,1]=4 117 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [1,1,0,0,0,0|1,0,1]=4 118 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [1,1,0,0,0,0|1,0,1]=4 119 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [1,1,0,0,0,0|1,0,0]=3 120 B7R0.6 CC(C)\C=C\[N+](=O)[O-] 2447AL [1,1,0,0,0,0|1,0,1]=4 121 B7R0.1 CCCC\C=C\CO 9204AL [1,1,0,0,0,0|0,0,1]=3 122 B7R0.1 CC\C=C\CCCC 9221AL [1,1,0,0,0,0|1,0,1]=4 123 B7R0.1 C\C=C/CCCCC 7427AL [1,1,0,0,0,0|1,0,1]=4 124 B7R0.1 C\C=C\CCCCC 7960AF [1,1,0,0,0,0|1,0,1]=4 125 B7R0.1 O=CCCCCCCl Y9332 [1,1,0,0,0,0|0,0,2]=4 126 B7R0.1 OCC\C=C\CCO 0001AQ [1,1,0,0,0,0|1,0,1]=4 127 B7R0.7 CCOC(=O)\C=C/Br 8650AJ [1,1,0,0,0,0|2,0,0]=4 128 B7R0.7 CCOC(=O)\C=C/I 7873AL [1,1,0,0,0,0|2,0,0]=4 129 B9R0.4 CCCCC(N)CC(=O)O 8056AC [0,2,0,0,0,0|0,0,2]=4 130 B9R0.4 CCCOC(=O)\C=C(\C)N 2141AJ [0,2,0,0,0,0|2,0,0]=4 131 B9R0.4 COCCN(C)CC(=O)O 9512AL [0,2,0,0,0,0|1,0,1]=4 132 B9R0.6 CCOC(=O)C(C)C(=O)O 2263AJ [0,2,0,0,0,0|1,0,1]=4 133 B9R0.23 CCC(C)C(N)CC(=O)O 2728AE [0,2,0,0,0,0|0,0,2]=4 134 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5270AC [0,2,0,0,0,0|0,0,2]=4 135 B9R0.53 CC(C)C[C@@H](N)CC(=O)O 5354AA [0,2,0,0,0,0|0,0,2]=4 136 B9R0.1 COC(=O)\C=C\CC(C)C 9254AE [0,2,0,0,0,0|0,0,0]=2 137 B9R0.5 CCCNCC(=O)OCC 0138AP [0,2,0,0,0,0|1,0,1]=4 138 B9R0.46 CCCNCCC(=O)OC 4406AE [0,2,0,0,0,0|0,0,2]=4 139 B9R0.47 CCCCC[C@H](N)C(=O)O 6196AB [0,2,0,0,0,0|0,0,2]=4 140 B9R0.47 CCSCCC(N)C(=O)O K104 [0,2,0,0,0,0|0,0,2]=4 141 B9R0.2 C=CCCCCCC(=O)O 6293AD [0,2,0,0,0,0|0,0,2]=4 142 B9R0.2 COCCCCCC(=O)O 5735AB [0,2,0,0,0,0|0,0,2]=4 143 B9R0.55 CC(C)CC\C=C\B(O)O X0603 [0,2,0,0,0,0|1,0,1]=4 144 B9R0.55 CN(C)CCCCC(=O)O V8850 [0,2,0,0,0,0|0,0,2]=4 145 B9R0.7 CC(C)CC[C@H](N)C(=O)O 7177AH [0,2,0,0,0,0|0,0,2]=4 146 B9R0.7 CC(C)CNC(=O)C(=O)O 9215AE [0,2,0,0,0,0|1,0,0]=3 147 B9R0.13 CCCC[C@H](NC)C(=O)O 7564AH [0,2,0,0,0,0|0,0,2]=4 148 B7R1.2 CC1CNC(=O)C1 X7991 [1,0,0,1,0,0|2,0,0]=4 149 B7R1.2 CC1CNC(=O)O1 8398AC [1,0,0,1,0,0|1,0,0]=3 150 B7R1.3 BrC1=CCCCC1 Z0360 [1,0,0,1,0,0|2,0,0]=4 151 B7R1.3 O=C1C=CCCN1 9030AB [1,0,0,1,0,0|1,0,0]=3 152 B7R1.3 O=C1C=CCOC1 6867AC [1,0,0,1,0,0|2,0,0]=4 153 B7R1.14 O=S1(=O)C=CCC1 Z8082 [1,0,0,1,0,0|1,0,1]=4 154 B7R1.18 O=C(O)C1CCN1 0741AC [1,0,0,1,0,0|1,0,1]=4 155 B7R1.18 O=C(O)C1CCO1 3540AC [1,0,0,1,0,0|1,0,1]=4 156 B7R1.1 CCC1=CC=NO1 3273AB [1,0,0,1,0,0|1,0,1]=4 157 B7R1.1 COC1=CC=CO1 2109AL [1,0,0,1,0,0|1,0,1]=4 158 B7R1.1 O=CC1=CCSC1 2331AA [1,0,0,1,0,0|1,0,0]=3 159 B7R1.1 O=CN1CCCC1 0706AQ [1,0,0,1,0,0|1,0,1]=4 160 B7R1.4 CN1SC=CC1=O P432 [1,0,0,1,0,0|2,0,0]=4 161 B7R1.6 O=CC=C1COC1 5578AC [1,0,0,1,0,0|1,0,0]=3 162 B7R1.6 O=CCC1CCC1 0019AC [1,0,0,1,0,0|0,0,2]=4 163 B7R1.24 C1=CCCCCC1 7508AL [1,0,0,1,0,0|1,0,1]=4 164 B9R1.7 CCCC1=CSC(N)=N1 Y6326 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.7 CCCC1=NC(C)=CN1 4781AB [0,1,0,1,0,0|2,0,0]=4 166 B9R1.7 CCCC1=NC(N)=NO1 5513AD [0,1,0,1,0,0|2,0,0]=4 167 B9R1.7 CCCC1=NOC(N)=C1 Z2752 [0,1,0,1,0,0|1,0,0]=3 168 B9R1.7 CCCN1C=CC(I)=N1 Z9713 [0,1,0,1,0,0|2,0,0]=4 169 B9R1.7 CCOC1=CC(N)=NO1 5802AJ [0,1,0,1,0,0|2,0,0]=4 170 B9R1.7 CNCC1=CC=C(Br)O1 2148AF [0,1,0,1,0,0|1,0,1]=4 171 B9R1.7 COC[C@@H]1COC(=O)O1 4142AL [0,1,0,1,0,0|1,0,1]=4 172 B9R1.7 COC[C@H]1CNC(=O)O1 1743AB [0,1,0,1,0,0|1,0,1]=4 173 B9R1.7 COC[C@H]1COC(=O)O1 4184AL [0,1,0,1,0,0|1,0,1]=4 174 B9R1.13 O=C(O)C=C1CCCC1 9908AA [0,1,0,1,0,0|0,0,0]=2 175 B9R1.13 O=C(O)CC1CCCN1 8327AB [0,1,0,1,0,0|0,0,2]=4 176 B9R1.34 CC1=CC(=O)OC(C)=C1 1366AQ [0,1,0,1,0,0|0,0,2]=4 177 B9R1.41 CC1=C(C(=O)O)NC=C1 W9332 [0,1,0,1,0,0|0,0,2]=4 178 B9R1.41 CN1N=NC=C1C(=O)O Z5066 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.41 NC(=O)C1CCCC1=O 6858AE [0,1,0,1,0,0|1,0,1]=4 180 B9R1.41 O=C(O)C1CSCC1=O 3411AD [0,1,0,1,0,0|1,0,1]=4 181 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8555AH [0,1,0,1,0,0|1,0,1]=4 182 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O 8692AH [0,1,0,1,0,0|1,0,1]=4 183 B9R1.48 O=C1CCCNC(=O)C1 3822AJ [0,1,0,1,0,0|1,0,1]=4 184 B9R1.137 CC(=CC(=O)O)C1CC1 Y5784 [0,1,0,1,0,0|0,0,0]=2 185 B9R1.1 CCC1=CNC(=O)C=C1 7602AB [0,1,0,1,0,0|1,0,1]=4 186 B9R1.21 CCN1C=CC(C=O)=N1 Y5670 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.79 COC(=O)C=C1COC1 1968AA [0,1,0,1,0,0|1,0,0]=3 188 B9R1.6 CC(=O)C1=CSCCN1 8361AA [0,1,0,1,0,0|2,0,0]=4 189 B9R1.6 NC(=O)C1=CNCCC1 8430AE [0,1,0,1,0,0|1,0,0]=3 190 B9R1.6 O=C(O)C1=CCCOC1 X8488 [0,1,0,1,0,0|0,0,0]=2 191 B9R1.6 O=C(O)C1C=CCC=C1 Y5447 [0,1,0,1,0,0|0,0,2]=4 192 B9R1.6 O=C(O)C1CCCNC1 8993AB [0,1,0,1,0,0|0,0,2]=4 193 B9R1.6 O=C(O)C1CCSCN1 6491AE [0,1,0,1,0,0|1,0,1]=4 194 B9R1.6 O=C(O)C1CNCCO1 W9016 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.6 O=C(O)C1COCCN1 W7764 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.6 O=C(O)[C@@H]1COCCN1 X8814 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.6 O=C(O)[C@@H]1CSCCN1 9064AH [0,1,0,1,0,0|1,0,1]=4 198 B9R1.6 O=[N+]([O-])C1=CCCCC1 Y8459 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.35 CC1=CC(C(=O)O)=CN1 X8465 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.35 CC1=CC=C(C(=O)O)N1 4808AB [0,1,0,1,0,0|0,0,2]=4 201 B9R1.35 NC1CNC(C(=O)O)C1 Y7723 [0,1,0,1,0,0|1,0,1]=4 202 B9R1.35 N[C@@H]1C=C[C@H](C(=O)O)C1 Y6706 [0,1,0,1,0,0|0,0,2]=4 203 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 Y6730 [0,1,0,1,0,0|0,0,2]=4 204 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 W4980 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.35 N[C@H]1C=C[C@@H](C(=O)O)C1 0632AA [0,1,0,1,0,0|0,0,2]=4 206 B9R1.35 O=C(O)C1CCC(O)C1 0331AA [0,1,0,1,0,0|0,0,2]=4 207 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 Z5831 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 U345 [0,1,0,1,0,0|1,0,1]=4 209 B9R1.35 O=C1C=C(C(=O)O)CC1 Y5171 [0,1,0,1,0,0|0,0,1]=3 210 B9R1.110 NC(C(=O)O)C1CCC1 X5232 [0,1,0,1,0,0|0,0,2]=4 211 B9R1.110 N[C@@H](C(=O)O)C1CCC1 X5301 [0,1,0,1,0,0|0,0,2]=4 212 B9R1.163 CC1(C(=O)O)CCCN1 6631AH [0,1,0,1,0,0|1,0,1]=4 213 B9R1.163 O=C(O)C1(O)CCCC1 Z4267 [0,1,0,1,0,0|0,0,2]=4 214 B9R2.39 [C@@H]12CN[C@@H](C1)C(=O)O2 W8358 [0,0,0,2,0,0|1,0,1]=4 215 B9R2.143 O=C(O)C1CC12CC2 8844AA [0,0,0,2,0,0|0,0,2]=4