0 B6R0.4 C#CCCC(=O)[O-] 4056AH [0,0,0,0,0,0|0,0,3]=3 1 B6R0.4 C#CCNC(C)=O 3665AL [0,0,0,0,0,0|2,0,2]=4 2 B6R0.4 C#CCNC(N)=O W6702 [0,0,0,0,0,0|2,0,2]=4 3 B6R0.4 C=C(C)CCCC 5699AL [0,0,0,0,0,0|2,0,0]=2 4 B6R0.4 C=CCCC(=C)C 5696AL [0,0,0,0,0,0|2,0,2]=4 5 B6R0.4 C=CCOC(N)=O 0515AQ [0,0,0,0,0,0|2,0,2]=4 6 B6R0.4 CC(=O)CCCBr W5938 [0,0,0,0,0,0|2,0,0]=2 7 B6R0.4 CC(=O)NCCCl W8163 [0,0,0,0,0,0|3,0,0]=3 8 B6R0.4 CC(=O)OCCCl 7237AF [0,0,0,0,0,0|3,0,0]=3 9 B6R0.4 CC(=O)SCC#N 6370AE [0,0,0,0,0,0|3,0,1]=4 10 B6R0.4 CC(=O)SCCN 5884AD [0,0,0,0,0,0|3,0,0]=3 11 B6R0.4 CC(C)CCCCl 6814AE [0,0,0,0,0,0|3,0,1]=4 12 B6R0.4 CCCC=C(C)C 5704AL [0,0,0,0,0,0|2,0,1]=3 13 B6R0.4 CCCCC(=O)Br 7391AF [0,0,0,0,0,0|1,0,0]=1 14 B6R0.4 CCCCC(C)Br 5535AL [0,0,0,0,0,0|2,0,1]=3 15 B6R0.4 CCCCC(C)C 5734AL [0,0,0,0,0,0|2,0,1]=3 16 B6R0.4 CCCCC(C)Cl 5578AL [0,0,0,0,0,0|2,0,1]=3 17 B6R0.4 CCCCC(C)N 7573AF [0,0,0,0,0,0|2,0,1]=3 18 B6R0.4 CCCCC(C)O 9467AB [0,0,0,0,0,0|1,0,1]=2 19 B6R0.4 CCCO[N+](=O)[O-] X5340 [0,0,0,0,0,0|2,0,1]=3 20 B6R0.4 CCOCC(C)N 0535AD [0,0,0,0,0,0|3,0,1]=4 21 B6R0.4 CC\C=C\C(=O)O 6805AA [0,0,0,0,0,0|0,0,2]=2 22 B6R0.4 CSCCC(=O)Cl 6126AL [0,0,0,0,0,0|2,0,0]=2 23 B6R0.4 FC(F)=CCCBr 4541AD [0,0,0,0,0,0|3,0,1]=4 24 B6R0.4 N#CCNC(N)=O X4454 [0,0,0,0,0,0|3,0,1]=4 25 B6R0.4 O=C(O)C#CCO 1204AC [0,0,0,0,0,0|1,0,2]=3 26 B5R0.1 C=CCC(N)=O Y1568 [1,0,0,0,0,0|1,0,2]=4 27 B5R0.1 CCC=C(C)C 7499AF [1,0,0,0,0,0|2,0,1]=4 28 B5R0.1 CCSC(=N)N 2034AH [1,0,0,0,0,0|3,0,0]=4 29 B5R0.1 CNCC(C)=O 4565AF [1,0,0,0,0,0|2,0,0]=3 30 B5R0.1 COCC(=N)N 1769AJ [1,0,0,0,0,0|3,0,0]=4 31 B5R0.1 COC[C@H](C)O W4988 [1,0,0,0,0,0|2,0,1]=4 32 B5R0.1 CSCC(=N)N 1816AJ [1,0,0,0,0,0|3,0,0]=4 33 B5R0.1 C\C=C\C(N)=O 7909AD [1,0,0,0,0,0|1,0,2]=4 34 B5R0.1 N#CCC(=O)[O-] 7007AF [1,0,0,0,0,0|1,0,2]=4 35 B5R0.1 NC(=O)CCO 8063AJ [1,0,0,0,0,0|2,0,0]=3 36 B5R0.1 O=C(O)CCF 6350AB [1,0,0,0,0,0|1,0,0]=2 37 B5R0.1 O=C(O)\C=C/Br V3608 [1,0,0,0,0,0|1,0,2]=4 38 B5R0.1 O=C(O)\C=C/I 9333AB [1,0,0,0,0,0|1,0,2]=4 39 B5R0.1 O=C(O)\C=C\I V7047 [1,0,0,0,0,0|1,0,2]=4 40 B5R0.2 C#CCCCBr 9466AL [1,0,0,0,0,0|2,0,1]=4 41 B5R0.2 C#CCCCI 0230AQ [1,0,0,0,0,0|2,0,1]=4 42 B5R0.2 C=CCCCN 7616AH [1,0,0,0,0,0|2,0,0]=3 43 B5R0.2 C=CCOCC 5601AE [1,0,0,0,0,0|2,0,0]=3 44 B5R0.2 C=CCSSC 7031AL [1,0,0,0,0,0|3,0,0]=4 45 B5R0.2 C=CC\C=C/C 0307AQ [1,0,0,0,0,0|1,0,2]=4 46 B5R0.2 CC#CCCO 6150AL [1,0,0,0,0,0|0,0,3]=4 47 B5R0.2 CCCCOC 7303AL [1,0,0,0,0,0|2,0,0]=3 48 B5R0.2 CCCNCC 8554AL [1,0,0,0,0,0|2,0,1]=4 49 B5R0.2 CCCOCC 7892AL [1,0,0,0,0,0|2,0,1]=4 50 B5R0.2 CCCOCCl 4494AB [1,0,0,0,0,0|2,0,1]=4 51 B5R0.2 CCCSCC R576 [1,0,0,0,0,0|2,0,1]=4 52 B5R0.2 CCC\C=N\O 7272AF [1,0,0,0,0,0|1,0,1]=3 53 B5R0.2 CCOCCN 3903AD [1,0,0,0,0,0|2,0,1]=4 54 B5R0.2 COCCCI 9890AH [1,0,0,0,0,0|2,0,1]=4 55 B5R0.2 CSCCC#N 5452AE [1,0,0,0,0,0|2,0,1]=4 56 B5R0.2 [C-]#[N+]CCOC V5938 [1,0,0,0,0,0|3,0,0]=4 57 B7R0.2 C=C(C)CC(C)CC 5312AL [0,1,0,0,0,0|2,0,0]=3 58 B7R0.2 C=CC(C)CC(=O)O 9796AA [0,1,0,0,0,0|0,0,2]=3 59 B7R0.2 CCC(C)CC(C)C 5322AL [0,1,0,0,0,0|2,0,1]=4 60 B7R0.2 CCC(N)CC(=O)O 2363AL [0,1,0,0,0,0|0,0,0]=1 61 B7R0.2 CCN(C)CC(C)=O 9608AC [0,1,0,0,0,0|2,0,0]=3 62 B7R0.2 CC[C@@H](N)CC(=O)O 9229AJ [0,1,0,0,0,0|0,0,0]=1 63 B7R0.2 CC[C@H](N)CC(=O)O 9250AJ [0,1,0,0,0,0|0,0,0]=1 64 B7R0.2 CNC(=O)CC(=O)O 3048AE [0,1,0,0,0,0|1,0,1]=3 65 B7R0.2 COC(C)CC(=O)O 0132AA [0,1,0,0,0,0|1,0,0]=2 66 B7R0.2 NCC(N)CC(=O)O 5843AA [0,1,0,0,0,0|1,0,0]=2 67 B7R0.3 C=C(CC)CCCC 5608AL [0,1,0,0,0,0|2,0,0]=3 68 B7R0.3 C=CC(=O)NCCC 3769AL [0,1,0,0,0,0|2,0,0]=3 69 B7R0.3 C=CC(=O)NCCN 1689AB [0,1,0,0,0,0|3,0,0]=4 70 B7R0.3 C=CCCC(=O)OC 0026AQ [0,1,0,0,0,0|0,0,2]=3 71 B7R0.3 CCC(=O)NCCN 3366AF [0,1,0,0,0,0|3,0,0]=4 72 B7R0.3 CCC(=O)NCCO 8325AL [0,1,0,0,0,0|3,0,0]=4 73 B7R0.3 CCCCC(C)CC 6251AE [0,1,0,0,0,0|2,0,1]=4 74 B7R0.3 CCCCC(O)CC 8762AB [0,1,0,0,0,0|1,0,1]=3 75 B7R0.3 CCCC[C@H](N)CO 7337AH [0,1,0,0,0,0|1,0,1]=3 76 B7R0.3 CCC\C=C(/C)CC 6104AL [0,1,0,0,0,0|2,0,1]=4 77 B7R0.3 CCNCC(=O)OC 2143AA [0,1,0,0,0,0|1,0,0]=2 78 B7R0.3 CCNCC(=O)OC 2988AC [0,1,0,0,0,0|1,0,0]=2 79 B7R0.3 CCOCC(=O)NN 2388AE [0,1,0,0,0,0|2,0,0]=3 80 B7R0.3 CCOCC(O)CN 1272AE [0,1,0,0,0,0|2,0,1]=4 81 B7R0.3 CNC(=O)CCCN 5583AD [0,1,0,0,0,0|2,0,0]=3 82 B7R0.3 CNCCC(=O)NC 4515AE [0,1,0,0,0,0|2,0,0]=3 83 B7R0.3 CNCCC(=O)NC 5845AE [0,1,0,0,0,0|2,0,0]=3 84 B7R0.3 CNCCC(=O)OC 1857AB [0,1,0,0,0,0|1,0,0]=2 85 B7R0.3 CNCCC(=O)OC X3419 [0,1,0,0,0,0|1,0,0]=2 86 B7R0.3 COC(=N)CCCCl 2164AC [0,1,0,0,0,0|2,0,0]=3 87 B7R0.3 COC(=O)C#CCO 3414AB [0,1,0,0,0,0|1,0,2]=4 88 B7R0.3 COC(=O)CCC=O W3030 [0,1,0,0,0,0|1,0,1]=3 89 B7R0.3 COC(=O)CCCS X9990 [0,1,0,0,0,0|1,0,0]=2 90 B7R0.3 COCC\C(N)=N/O 7855AE [0,1,0,0,0,0|2,0,0]=3 91 B7R0.3 CO\C=C\C(=O)OC W5649 [0,1,0,0,0,0|1,0,2]=4 92 B7R0.3 CSCCC(N)CO 8517AA [0,1,0,0,0,0|2,0,1]=4 93 B7R0.3 C\C=C\CC(=O)OC 9761AJ [0,1,0,0,0,0|0,0,2]=3 94 B7R0.3 NCC(=O)NCCO 0947AF [0,1,0,0,0,0|3,0,0]=4 95 B7R0.4 C=C(C)CCCCC 5698AL [0,1,0,0,0,0|2,0,0]=3 96 B7R0.4 C=CCCCB(O)O X0893 [0,1,0,0,0,0|1,0,2]=4 97 B7R0.4 C=CCCOC(C)=O 3121AL [0,1,0,0,0,0|1,0,2]=4 98 B7R0.4 C=CCSCC(=O)O 6981AD [0,1,0,0,0,0|0,0,2]=3 99 B7R0.4 CC(=O)CCCC#N 6789AL [0,1,0,0,0,0|1,0,1]=3 100 B7R0.4 CC(=O)NCCCN V5818 [0,1,0,0,0,0|2,0,0]=3 101 B7R0.4 CC(=O)NCCCN V6432 [0,1,0,0,0,0|2,0,0]=3 102 B7R0.4 CC(=O)NCCCO 8280AC [0,1,0,0,0,0|2,0,0]=3 103 B7R0.4 CC(C)CCCCO 6988AE [0,1,0,0,0,0|2,0,1]=4 104 B7R0.4 CC(O)CNCCO 7542AE [0,1,0,0,0,0|2,0,1]=4 105 B7R0.4 CCCCCC(C)C 5733AL [0,1,0,0,0,0|2,0,1]=4 106 B7R0.4 CCCCCC(C)Cl 5577AL [0,1,0,0,0,0|2,0,1]=4 107 B7R0.4 CCCCNC(C)=O 7541AF [0,1,0,0,0,0|1,0,0]=2 108 B7R0.4 CCCCNC(C)C 2334AE [0,1,0,0,0,0|2,0,1]=4 109 B7R0.4 CCCCOC(Cl)Cl 7617AL [0,1,0,0,0,0|2,0,1]=4 110 B7R0.4 CCOCCC(C)=O 6489AL [0,1,0,0,0,0|1,0,0]=2 111 B7R0.4 CCO\C=C\C(=O)Cl 6797AE [0,1,0,0,0,0|1,0,2]=4 112 B7R0.4 CCSCCC(=O)O 8721AE [0,1,0,0,0,0|0,0,0]=1 113 B7R0.4 CN(C)CCCCN 1354AE [0,1,0,0,0,0|3,0,0]=4 114 B7R0.4 COCCN=C(N)N 8527AC [0,1,0,0,0,0|3,0,0]=4 115 B7R0.4 COCCNC(N)=O V4427 [0,1,0,0,0,0|2,0,0]=3 116 B7R0.5 C=CCC(N)C(=O)O 7090AA [0,1,0,0,0,0|0,0,2]=3 117 B7R0.5 CCC[C@H](O)C(=O)O Z6053 [0,1,0,0,0,0|0,0,0]=1 118 B7R0.5 CCNC(C)C(N)=O 7697AD [0,1,0,0,0,0|2,0,0]=3 119 B7R0.5 CCSC(C)C(=O)O 6924AD [0,1,0,0,0,0|1,0,0]=2 120 B7R0.5 COCC(Cl)C(=O)O 2065AB [0,1,0,0,0,0|1,0,0]=2 121 B7R0.5 C[C@H](NC=O)C(=O)O 7555AH [0,1,0,0,0,0|2,0,1]=4 122 B7R0.5 N#CC[C@H](N)C(=O)O V6942 [0,1,0,0,0,0|1,0,1]=3 123 B7R0.5 NC(CCBr)C(=O)O 1883AC [0,1,0,0,0,0|1,0,0]=2 124 B7R0.5 NCCC(N)C(=O)O W7673 [0,1,0,0,0,0|1,0,0]=2 125 B7R0.5 NCC[C@@H](N)C(=O)O W5006 [0,1,0,0,0,0|1,0,0]=2 126 B7R0.5 NCC[C@H](N)C(=O)O 1360AC [0,1,0,0,0,0|1,0,0]=2 127 B7R0.6 C=C(C)CCC(=C)C 7929AF [0,1,0,0,0,0|2,0,1]=4 128 B7R0.6 C=C(C)CCC(C)C 5371AL [0,1,0,0,0,0|2,0,0]=3 129 B7R0.6 CC(=O)CCN(C)C 8474AD [0,1,0,0,0,0|2,0,0]=3 130 B7R0.6 CC(=O)NNC(C)C 6165AB [0,1,0,0,0,0|3,0,0]=4 131 B7R0.6 CC(=O)SCC(=O)O Y7206 [0,1,0,0,0,0|1,0,1]=3 132 B7R0.6 CC(=O)\C=C\C(C)C 6802AL [0,1,0,0,0,0|1,0,2]=4 133 B7R0.6 CC(C)CCC(C)C 5381AL [0,1,0,0,0,0|2,0,1]=4 134 B7R0.6 C[C@H](O)CC[C@H](C)O 4119AB [0,1,0,0,0,0|1,0,1]=3 135 B7R0.6 N=C(N)NCC(=O)O 4588AD [0,1,0,0,0,0|2,0,1]=4 136 B7R0.8 CC(C)(O)CCCN 6321AJ [0,1,0,0,0,0|2,0,1]=4 137 B7R0.8 CCCCC(C)(C)C 5136AL [0,1,0,0,0,0|2,0,1]=4 138 B7R0.8 CCCC[Si](C)(C)Cl 8911AJ [0,1,0,0,0,0|2,1,0]=4 139 B7R0.8 CCCC[Si](Cl)(Cl)Cl 8519AL [0,1,0,0,0,0|2,1,0]=4 140 B7R0.8 CCNCC(C)(C)O 9524AH [0,1,0,0,0,0|2,0,1]=4 141 B7R0.8 COCCS(=O)(=O)Cl V6335 [0,1,0,0,0,0|2,0,1]=4 142 B7R0.8 CS(=O)(=O)CCCCl 7889AB [0,1,0,0,0,0|2,0,1]=4 143 B7R0.8 O=P(O)(O)CCCBr 4063AL [0,1,0,0,0,0|2,0,0]=3 144 B7R1.2 CC1CCC(C)O1 Z5431 [0,0,0,1,0,0|1,0,1]=3 145 B7R1.2 CC1CNC(=O)C1 X7991 [0,0,0,1,0,0|2,0,0]=3 146 B7R1.2 CC1CNC(=O)O1 8398AC [0,0,0,1,0,0|1,0,0]=2 147 B7R1.2 CC1CNC(=S)N1 7200AD [0,0,0,1,0,0|2,1,0]=4 148 B7R1.2 C[C@H]1C[C@H](O)CN1 1991AA [0,0,0,1,0,0|2,0,1]=4 149 B7R1.2 NC1=CC(=O)CC1 2359AL [0,0,0,1,0,0|2,0,1]=4 150 B7R1.2 NC1CCC(O)C1 6561AA [0,0,0,1,0,0|2,0,1]=4 151 B7R1.2 NC1CNC(=O)C1 9509AL [0,0,0,1,0,0|3,0,0]=4 152 B7R1.2 N[C@H]1CC[C@@H](O)C1 5418AA [0,0,0,1,0,0|2,0,1]=4 153 B7R1.2 O=C1C=C(O)CC1 6113AE [0,0,0,1,0,0|2,0,1]=4 154 B7R1.2 O=C1CCC(I)C1 3588AC [0,0,0,1,0,0|2,0,0]=3 155 B7R1.2 O=C1CCC(O)N1 W1140 [0,0,0,1,0,0|2,0,0]=3 156 B7R1.2 O=C1CNC(S)S1 5679AL [0,0,0,1,0,0|2,1,0]=4 157 B7R1.3 BrC1=CCCCC1 Z0360 [0,0,0,1,0,0|2,0,0]=3 158 B7R1.3 BrC1=CCOCC1 V4625 [0,0,0,1,0,0|3,0,0]=4 159 B7R1.3 BrC1=CCSCC1 Z8895 [0,0,0,1,0,0|3,0,0]=4 160 B7R1.3 C=C1CCOCC1 4680AB [0,0,0,1,0,0|3,0,0]=4 161 B7R1.3 CC1CCCCN1 7117AB [0,0,0,1,0,0|2,0,1]=4 162 B7R1.3 CC1CCOCO1 8171AJ [0,0,0,1,0,0|2,0,1]=4 163 B7R1.3 CC1CNCCO1 8808AB [0,0,0,1,0,0|2,0,1]=4 164 B7R1.3 FC1CCCCC1 1850AE [0,0,0,1,0,0|2,0,1]=4 165 B7R1.3 O=C1C=CCCN1 9030AB [0,0,0,1,0,0|1,0,2]=4 166 B7R1.3 O=C1C=CCOC1 6867AC [0,0,0,1,0,0|2,0,1]=4 167 B7R1.3 O=S1CCNCC1 V7654 [0,0,0,1,0,0|3,0,0]=4 168 B7R1.3 ON1CCCCC1 W6467 [0,0,0,1,0,0|2,0,0]=3 169 B7R1.3 S=C1NCCCS1 5563AE [0,0,0,1,0,0|1,2,0]=4 170 B7R1.7 CCOCC1CO1 7875AL [0,0,0,1,0,0|2,0,1]=4 171 B7R1.10 C=C1CC(CN)C1 5243AD [0,0,0,1,0,0|3,0,0]=4 172 B7R1.10 CCN1CC(O)C1 2284AJ [0,0,0,1,0,0|2,0,1]=4 173 B7R1.10 NC[C@H]1C[C@H](O)C1 2731AD [0,0,0,1,0,0|2,0,1]=4 174 B7R1.10 O=C1CC(CCl)C1 2253AL [0,0,0,1,0,0|2,0,0]=3 175 B7R1.10 O=C1CC(CO)C1 9616AA [0,0,0,1,0,0|2,0,0]=3 176 B7R1.14 CC1(N)CCCC1 0991AQ [0,0,0,1,0,0|2,0,1]=4 177 B7R1.14 O=S1(=O)CCCN1 W7199 [0,0,0,1,0,0|2,0,1]=4 178 B7R1.18 N=C(N)C1CCC1 9638AJ [0,0,0,1,0,0|2,0,0]=3 179 B7R1.18 NC(=O)C1CCN1 Z9521 [0,0,0,1,0,0|2,0,0]=3 180 B7R1.18 NC(=O)C1CNC1 1496AC [0,0,0,1,0,0|2,0,0]=3 181 B7R1.18 NC(=O)C1CNC1 Z4019 [0,0,0,1,0,0|2,0,0]=3 182 B7R1.18 O=C(O)C1CCN1 0741AC [0,0,0,1,0,0|1,0,0]=2 183 B7R1.18 O=C(O)C1CCO1 3540AC [0,0,0,1,0,0|1,0,0]=2 184 B7R1.20 NC(=S)NC1CC1 V6652 [0,0,0,1,0,0|2,1,0]=4 185 B7R1.20 NC(N)=NC1CC1 5423AD [0,0,0,1,0,0|3,0,0]=4 186 B4R0.1 CCC(=O)Br C859 [2,0,0,0,0,0|1,0,0]=3 187 B4R0.1 CSC(C)=O 9061AJ [2,0,0,0,0,0|2,0,0]=4 188 B4R0.1 NCC(=O)O 7986AL [2,0,0,0,0,0|1,0,0]=3 189 B4R0.1 NCC(=O)[O-] P522 [2,0,0,0,0,0|1,0,1]=4 190 B4R0.2 CCC=NO 0148AQ [2,0,0,0,0,0|1,0,1]=4 191 B4R0.2 CCCCF 8004AD [2,0,0,0,0,0|1,0,0]=3 192 B4R0.2 CCCNN 4415AE [2,0,0,0,0,0|2,0,0]=4 193 B4R0.2 CCCOC 4896AL [2,0,0,0,0,0|1,0,1]=4 194 B4R0.2 CCCON 6597AE [2,0,0,0,0,0|2,0,0]=4 195 B4R0.2 CCCSC U677 [2,0,0,0,0,0|1,0,1]=4 196 B4R0.2 CCSCC E138 [2,0,0,0,0,0|1,0,1]=4 197 B4R0.2 CSCCBr Y1764 [2,0,0,0,0,0|2,0,0]=4 198 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|1,0,1]=4 199 B6R0.1 C#CC(O)CCC X7102 [1,1,0,0,0,0|1,0,1]=4 200 B6R0.1 C#CCC(=O)OC 3698AB [1,1,0,0,0,0|0,0,2]=4 201 B6R0.1 CC#CC(=O)OC X7106 [1,1,0,0,0,0|0,0,2]=4 202 B6R0.1 CCC(=O)CSC K829 [1,1,0,0,0,0|2,0,0]=4 203 B6R0.1 CCCC(=O)SC 8847AJ [1,1,0,0,0,0|0,1,0]=3 204 B6R0.1 CCCC(C)CO 1207AA [1,1,0,0,0,0|1,0,1]=4 205 B6R0.1 CCCC(O)CC 7557AF [1,1,0,0,0,0|1,0,1]=4 206 B6R0.1 CCC[C@@H](N)CO 2554AC [1,1,0,0,0,0|1,0,1]=4 207 B6R0.1 CCNC(=O)CBr 5060AE [1,1,0,0,0,0|2,0,0]=4 208 B6R0.1 CCNC(=O)CN 8793AD [1,1,0,0,0,0|2,0,0]=4 209 B6R0.1 CCSC(=O)CC 8960AL [1,1,0,0,0,0|2,0,0]=4 210 B6R0.1 CNC(=O)CCCl 2983AE [1,1,0,0,0,0|2,0,0]=4 211 B6R0.1 CNC(=O)CCO 8079AE [1,1,0,0,0,0|2,0,0]=4 212 B6R0.1 CNCC(=O)NC V5990 [1,1,0,0,0,0|2,0,0]=4 213 B6R0.1 COC(=O)CCN 5700AB [1,1,0,0,0,0|1,0,0]=3 214 B6R0.1 CSC\C(N)=N\O 8012AC [1,1,0,0,0,0|2,0,0]=4 215 B6R0.1 N\C(CCO)=N/O 5078AE [1,1,0,0,0,0|2,0,0]=4 216 B6R0.2 CC(=O)CC(=O)[O-] 8151AL [1,1,0,0,0,0|0,0,2]=4 217 B6R0.2 CC(O)C[N+](=O)[O-] 0004AE [1,1,0,0,0,0|1,0,1]=4 218 B6R0.2 CN(C)CC(=O)[O-] 9593AA [1,1,0,0,0,0|1,0,1]=4 219 B6R0.2 C[C@H](Br)CC(=O)O V0016 [1,1,0,0,0,0|0,0,0]=2 220 B6R0.2 NC(=O)CC(=O)O 1571AB [1,1,0,0,0,0|1,0,1]=4 221 B6R0.3 C=C(CBr)C(=O)O 1795AL [1,1,0,0,0,0|1,0,1]=4 222 B6R0.3 CC(=O)C(N)CO 6844AC [1,1,0,0,0,0|2,0,0]=4 223 B6R0.3 CC(CS)C(=O)O Y3236 [1,1,0,0,0,0|1,0,0]=3 224 B6R0.3 CCC(Br)C(N)=O 5224AE [1,1,0,0,0,0|1,0,0]=3 225 B6R0.3 CCC(C)C(C)=O U423 [1,1,0,0,0,0|1,0,0]=3 226 B6R0.3 CCC(O)C(=O)[O-] 8154AL [1,1,0,0,0,0|0,0,1]=3 227 B6R0.3 CCC(S)C(C)=O 9471AJ [1,1,0,0,0,0|1,0,0]=3 228 B6R0.3 CC[C@@H](C)C(=O)O 1204AL [1,1,0,0,0,0|0,0,0]=2 229 B6R0.3 CC[C@@H](C)C(N)=O 5046AB [1,1,0,0,0,0|1,0,0]=3 230 B6R0.3 CC[C@@H](Cl)C(=O)O 4152AL [1,1,0,0,0,0|0,0,0]=2 231 B6R0.3 CC[C@H](Cl)C(=O)O Z6043 [1,1,0,0,0,0|0,0,0]=2 232 B6R0.3 CN[C@H](C)C(=O)O Z5607 [1,1,0,0,0,0|1,0,0]=3 233 B6R0.3 CSC(C)C(=O)O 6148AE [1,1,0,0,0,0|1,0,0]=3 234 B6R0.3 CSC(C)C(C)=O 6125AL [1,1,0,0,0,0|2,0,0]=4 235 B6R0.3 C[C@@H](CN)C(=O)O 5862AB [1,1,0,0,0,0|1,0,0]=3 236 B6R0.3 C\C=C(\C)C(=O)O 8382AJ [1,1,0,0,0,0|0,0,2]=4 237 B6R0.3 NC(=O)C(Br)CBr 5213AL [1,1,0,0,0,0|2,0,0]=4 238 B6R0.3 NC(=O)C(N)CO 2131AB [1,1,0,0,0,0|2,0,0]=4 239 B6R0.3 NC[C@H](N)C(=O)O 0179AB [1,1,0,0,0,0|1,0,0]=3 240 B6R0.3 N[C@@H](CCl)C(=O)O Z5908 [1,1,0,0,0,0|1,0,0]=3 241 B6R0.3 N[C@@H](CO)C(=O)O Z6084 [1,1,0,0,0,0|1,0,0]=3 242 B6R0.3 N[C@H](CCl)C(=O)O 5119AB [1,1,0,0,0,0|1,0,0]=3 243 B6R0.3 O=C(O)C(Br)CF 0454AQ [1,1,0,0,0,0|1,0,0]=3 244 B6R0.3 O=C(O)C(Cl)CO 0455AQ [1,1,0,0,0,0|1,0,0]=3 245 B6R0.3 O=C(O)C(O)CCl 2399AL [1,1,0,0,0,0|1,0,0]=3 246 B6R0.3 O=C([O-])C(O)CO 7310AL [1,1,0,0,0,0|1,0,1]=4 247 B6R0.5 CCNS(=O)(=O)O 4020AE [1,1,0,0,0,0|2,0,0]=4 248 B6R0.5 O=P(O)(O)CCBr 7025AC [1,1,0,0,0,0|2,0,0]=4 249 B6R0.6 C=CCCCC#N 6777AL [1,1,0,0,0,0|1,0,1]=4 250 B6R0.6 C=CCCCCI 0232AQ [1,1,0,0,0,0|1,0,0]=3 251 B6R0.6 C=CCC\C=C\C 4658AL [1,1,0,0,0,0|1,0,1]=4 252 B6R0.6 C=CCSCCC R577 [1,1,0,0,0,0|1,0,0]=3 253 B6R0.6 C=COCCCN 0206AC [1,1,0,0,0,0|2,0,0]=4 254 B6R0.6 CC#CCCCC 5638AL [1,1,0,0,0,0|1,0,1]=4 255 B6R0.6 CCCCCSC 7567AF [1,1,0,0,0,0|0,1,1]=4 256 B6R0.6 CCCCOCC 7302AL [1,1,0,0,0,0|1,0,1]=4 257 B6R0.6 CCCOCCC 7558AF [1,1,0,0,0,0|1,0,1]=4 258 B6R0.6 CCCSCCC 7569AF [1,1,0,0,0,0|1,0,1]=4 259 B6R0.6 CCC\C=C/CO 7423AL [1,1,0,0,0,0|0,0,1]=3 260 B6R0.6 CCOCCNC 5385AD [1,1,0,0,0,0|2,0,0]=4 261 B6R0.6 CC\C=C\CCC 9219AL [1,1,0,0,0,0|1,0,1]=4 262 B6R0.6 CNCCCOC V6596 [1,1,0,0,0,0|1,0,1]=4 263 B6R0.6 COCCN=C=O 3069AE [1,1,0,0,0,0|1,0,1]=4 264 B6R0.6 C\C=C/CCCC 7422AL [1,1,0,0,0,0|1,0,0]=3 265 B6R0.6 C\C=C/CCCCl 7455AL [1,1,0,0,0,0|1,0,1]=4 266 B6R0.6 C\C=C\CCCC 7780AF [1,1,0,0,0,0|1,0,0]=3 267 B6R0.6 C\C=C\SCCC U946 [1,1,0,0,0,0|1,0,1]=4 268 B6R0.6 NCCSCCO 8189AD [1,1,0,0,0,0|1,0,1]=4 269 B8R0.2 CC[C@@H](C)[C@H](N)C(=O)O E693 [0,2,0,0,0,0|0,0,0]=2 270 B8R0.2 COC(=O)C(C)C(=O)O 2314AJ [0,2,0,0,0,0|1,0,1]=4 271 B8R0.5 C#CC[C@@H](N)CC(=O)O 3836AB [0,2,0,0,0,0|0,0,1]=3 272 B8R0.5 C#CC[C@H](N)CC(=O)O 3835AB [0,2,0,0,0,0|0,0,1]=3 273 B8R0.5 C=C(C)CC(C)CCC 5311AL [0,2,0,0,0,0|2,0,0]=4 274 B8R0.5 C=CC[C@@H](N)CC(=O)O Z5979 [0,2,0,0,0,0|0,0,1]=3 275 B8R0.5 C=CC[C@H](N)CC(=O)O Z5808 [0,2,0,0,0,0|0,0,1]=3 276 B8R0.5 CN(CCO)CC(=O)O 8726AD [0,2,0,0,0,0|1,0,0]=3 277 B8R0.16 C=CC(CC)OC(C)=O 4942AL [0,2,0,0,0,0|2,0,0]=4 278 B8R0.16 CCN(CC)CC(=O)O 5131AD [0,2,0,0,0,0|1,0,0]=3 279 B8R0.16 CCN(CC)CC(=O)[O-] 8434AL [0,2,0,0,0,0|1,0,1]=4 280 B8R0.19 CCC(C)NC(=O)CN 1865AD [0,2,0,0,0,0|2,0,0]=4 281 B8R0.19 CCN(C)CC(=O)NN 0866AD [0,2,0,0,0,0|2,0,0]=4 282 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [0,2,0,0,0,0|1,0,0]=3 283 B8R0.23 C=C(C)C[C@H](N)C(=O)O 7037AH [0,2,0,0,0,0|0,0,1]=3 284 B8R0.23 CC(=O)C(=O)CC(C)C 6793AL [0,2,0,0,0,0|1,0,1]=4 285 B8R0.23 CC(=O)C(N)CC(C)C 5475AB [0,2,0,0,0,0|1,0,0]=3 286 B8R0.23 CC(=O)CC(C)C(=O)O 7660AE [0,2,0,0,0,0|0,0,1]=3 287 B8R0.23 CC(=O)N(C)CC(=O)O 6236AE [0,2,0,0,0,0|1,0,1]=4 288 B8R0.23 CC(C)[C@@H](N)CC(=O)O 0469AP [0,2,0,0,0,0|0,0,0]=2 289 B8R0.23 CC(C)[C@@H](N)CC(=O)O Z5862 [0,2,0,0,0,0|0,0,0]=2 290 B8R0.23 CC(C)[C@H](N)CC(=O)O Z5766 [0,2,0,0,0,0|0,0,0]=2 291 B8R0.23 C[C@@H](O)[C@H](N)CC(=O)O 9975AA [0,2,0,0,0,0|0,0,0]=2 292 B8R0.23 C[C@H](CC(=O)O)C(=O)O 9223AJ [0,2,0,0,0,0|1,0,1]=4 293 B8R0.23 NC(=O)[C@@H](N)CC(=O)O 6580AH [0,2,0,0,0,0|1,0,1]=4 294 B8R0.34 CSC(C)(C)CC(C)=O U806 [0,2,0,0,0,0|2,0,0]=4 295 B8R0.1 CCCCC(=O)CCC 8758AB [0,2,0,0,0,0|1,0,0]=3 296 B8R0.1 CCCNC(=O)CCN 2039AD [0,2,0,0,0,0|2,0,0]=4 297 B8R0.1 CCCNC(=O)CNC 2661AF [0,2,0,0,0,0|2,0,0]=4 298 B8R0.1 CCCNC(=O)CNC 8106AC [0,2,0,0,0,0|2,0,0]=4 299 B8R0.1 CCOC(=O)CCOC 6085AL [0,2,0,0,0,0|1,0,0]=3 300 B8R0.1 COCCC(=O)CC#N 3252AJ [0,2,0,0,0,0|2,0,0]=4 301 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,2,0,0,0,0|1,0,0]=3 302 B8R0.3 C=CCC(N)C(=O)OC 4218AJ [0,2,0,0,0,0|0,0,2]=4 303 B8R0.3 C=CCC(N)C(=O)OC 4219AJ [0,2,0,0,0,0|0,0,2]=4 304 B8R0.3 CCCC(N)C(=O)NC 1487AF [0,2,0,0,0,0|1,0,0]=3 305 B8R0.3 CNCC(C)C(=O)OC Z2743 [0,2,0,0,0,0|1,0,0]=3 306 B8R0.3 COCC(Br)C(=O)OC V4873 [0,2,0,0,0,0|1,0,0]=3 307 B8R0.6 C#C[C@@H](O)CCCCC 4835AJ [0,2,0,0,0,0|1,0,1]=4 308 B8R0.6 C=CC(=O)NCCCC 2114AB [0,2,0,0,0,0|1,0,0]=3 309 B8R0.6 C=CCCCC(=O)OC 6778AL [0,2,0,0,0,0|0,0,1]=3 310 B8R0.6 CCCCNC(=O)CCl W6790 [0,2,0,0,0,0|1,0,0]=3 311 B8R0.6 CCCCNC(=O)CN 7049AD [0,2,0,0,0,0|1,0,0]=3 312 B8R0.6 CCCCNC(=S)NN 7591AE [0,2,0,0,0,0|1,1,0]=4 313 B8R0.6 CCCCOC(=O)CF 1832AE [0,2,0,0,0,0|1,0,0]=3 314 B8R0.6 CCCCOC(=O)CN 3583AD [0,2,0,0,0,0|1,0,0]=3 315 B8R0.6 CCNCCC(=O)OC 6995AJ [0,2,0,0,0,0|0,0,0]=2 316 B8R0.6 CCOCCC(=O)NN 2006AE [0,2,0,0,0,0|1,0,0]=3 317 B8R0.6 COC(=O)CCCCN 9801AB [0,2,0,0,0,0|0,0,0]=2 318 B8R0.6 COC(=O)CCN=C=O 4514AE [0,2,0,0,0,0|1,0,1]=4 319 B8R0.6 COCCNC(=O)CCl 0644AA [0,2,0,0,0,0|2,0,0]=4 320 B8R0.6 COCCNC(=O)CN 2350AD [0,2,0,0,0,0|2,0,0]=4 321 B8R0.6 NCC(=O)NCCCO 2231AD [0,2,0,0,0,0|2,0,0]=4 322 B8R0.6 NCCCC[C@H](N)CO 1979AA [0,2,0,0,0,0|1,0,1]=4 323 B8R0.8 CC(O)C(=O)NCCO 8324AL [0,2,0,0,0,0|2,0,0]=4 324 B8R0.8 CCCCC(=O)C(C)=O 5249AL [0,2,0,0,0,0|0,0,1]=3 325 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,2,0,0,0,0|1,0,0]=3 326 B8R0.8 CCCCC(N)C(N)=O 6641AH [0,2,0,0,0,0|1,0,0]=3 327 B8R0.8 CCCNC(=O)C(=O)O 0106AF [0,2,0,0,0,0|0,0,1]=3 328 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,2,0,0,0,0|1,0,0]=3 329 B8R0.8 CCCOC(C)C(=O)O 5764AE [0,2,0,0,0,0|0,0,0]=2 330 B8R0.8 CN(C)C(=O)CCCCl 7775AD [0,2,0,0,0,0|2,0,0]=4 331 B8R0.8 CSCCC(O)C(=O)O 5652AL [0,2,0,0,0,0|0,0,0]=2 332 B8R0.8 CSCC[C@@H](N)C(=O)[O-] 8519AE [0,2,0,0,0,0|0,0,1]=3 333 B8R0.8 NOCC[C@@H](N)C(=O)O 5415AA [0,2,0,0,0,0|1,0,0]=3 334 B8R0.8 NOCC[C@H](N)C(=O)O 6738AB [0,2,0,0,0,0|1,0,0]=3 335 B8R0.9 CC(C)CNC(=O)CBr 4255AF [0,2,0,0,0,0|2,0,0]=4 336 B8R0.9 CC(C)CNC(=O)CN 5727AD [0,2,0,0,0,0|2,0,0]=4 337 B8R0.9 CC(C)OCC(=O)NN 2431AF [0,2,0,0,0,0|2,0,0]=4 338 B8R0.9 CCC(=O)CCC(C)=O 8738AA [0,2,0,0,0,0|1,0,0]=3 339 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,2,0,0,0,0|1,0,0]=3 340 B8R0.9 CCC(=O)COC(C)=O X5648 [0,2,0,0,0,0|1,0,1]=4 341 B8R0.9 CCC(=O)NCC(=O)O 7387AD [0,2,0,0,0,0|0,0,1]=3 342 B8R0.9 CCC(C)CCC(C)O 6794AL [0,2,0,0,0,0|1,0,1]=4 343 B8R0.9 CCC(C)COC(C)=O 1426AQ [0,2,0,0,0,0|1,0,0]=3 344 B8R0.9 CN(C)CCC(=O)NN 7730AD [0,2,0,0,0,0|2,0,0]=4 345 B8R0.9 CNC(=O)CCC(=O)O 5678AE [0,2,0,0,0,0|0,0,1]=3 346 B8R0.9 C\C(CCC(C)C)=N/O 6797AL [0,2,0,0,0,0|1,0,0]=3 347 B8R0.11 CCCCC(CO)CO 2148AL [0,2,0,0,0,0|0,0,2]=4 348 B8R0.25 CCCCC(C)(O)CC 6103AL [0,2,0,0,0,0|1,0,1]=4 349 B8R0.7 C=C(C)CCCCCCl 6449AD [0,2,0,0,0,0|2,0,0]=4 350 B8R0.7 CCCCCC[C@H](C)O D263 [0,2,0,0,0,0|1,0,1]=4 351 B8R0.7 CCCCCO[N+](=O)[O-] 8770AL [0,2,0,0,0,0|1,0,1]=4 352 B8R0.7 CCCC\C=C\C(=O)O 6400AD [0,2,0,0,0,0|0,0,0]=2 353 B8R0.7 COCCCNC(N)=O 8899AC [0,2,0,0,0,0|1,0,0]=3 354 B8R0.7 N=C(N)NCCCCN X3130 [0,2,0,0,0,0|2,0,0]=4 355 B8R0.7 NC(=O)CCCCCO 3555AJ [0,2,0,0,0,0|1,0,0]=3 356 B8R0.21 COCCCS(=O)(=O)O 5909AJ [0,2,0,0,0,0|1,0,0]=3 357 B8R0.28 CC(=O)CCCN(C)C Y9101 [0,2,0,0,0,0|1,0,0]=3 358 B8R0.28 CC(=O)CCOC(C)C 6552AL [0,2,0,0,0,0|1,0,0]=3 359 B8R0.28 CC(C)CCOC(=O)Cl 6828AJ [0,2,0,0,0,0|1,0,0]=3 360 B8R0.28 CC(C)NCCC(N)=O 6779AD [0,2,0,0,0,0|1,0,0]=3 361 B8R0.28 CN(C)C\C=C\C(=O)O 1119AQ [0,2,0,0,0,0|0,0,2]=4 362 B8R0.28 NC(=O)CCCC(=O)O 8447AD [0,2,0,0,0,0|0,0,1]=3 363 B8R0.28 NC(=O)COCC(=O)O 7538AD [0,2,0,0,0,0|1,0,1]=4 364 B8R0.12 C=CCC(F)(F)C(=O)O 8010AB [0,2,0,0,0,0|0,0,2]=4 365 B8R0.12 C=CC[C@@](C)(N)C(=O)O Q366 [0,2,0,0,0,0|0,0,2]=4 366 B8R0.14 CCCC(C)C(C)(C)O 7989AF [0,2,0,0,0,0|1,0,1]=4 367 B8R0.15 CCCC(OC)C(=O)O 5382AE [0,2,0,0,0,0|0,0,0]=2 368 B8R0.15 CCC[C@@H](NC)C(=O)O 0554AP [0,2,0,0,0,0|0,0,0]=2 369 B8R0.29 CC(C)(C)CCC(=O)O 8824AC [0,2,0,0,0,0|0,0,0]=2 370 B8R0.29 CC(C)(N)CCC(=O)O 0201AE [0,2,0,0,0,0|0,0,0]=2 371 B8R0.29 CC(C)(N)CNC(N)=O 1059AL [0,2,0,0,0,0|2,0,0]=4 372 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,1,0,0|2,0,0]=4 373 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,1,0,0|1,0,1]=4 374 B6R1.2 ClC1=CCCC1 9304AJ [1,0,0,1,0,0|2,0,0]=4 375 B6R1.2 NC1=NCCO1 5489AL [1,0,0,1,0,0|2,0,0]=4 376 B6R1.2 S=C1NCCO1 1519AL [1,0,0,1,0,0|1,1,0]=4 377 B6R1.3 CCCC1CO1 4468AL [1,0,0,1,0,0|1,0,1]=4 378 B6R1.10 O=S1(=O)CCC1 V6677 [1,0,0,1,0,0|1,0,1]=4 379 B6R1.11 CC(=O)C1CO1 3696AE [1,0,0,1,0,0|2,0,0]=4 380 B6R1.11 O=C(O)C1CN1 7766AB [1,0,0,1,0,0|1,0,0]=3 381 B6R1.1 C1=NCCCN1 0674AQ [1,0,0,1,0,0|2,0,0]=4 382 B6R1.1 C1CCONC1 9605AH [1,0,0,1,0,0|1,0,0]=3 383 B6R1.1 C1COCCO1 7285AL [1,0,0,1,0,0|1,0,1]=4 384 B6R1.6 NCC1CCO1 V8594 [1,0,0,1,0,0|1,0,1]=4 385 B6R1.6 NNC1CCC1 3961AJ [1,0,0,1,0,0|2,0,0]=4 386 B6R1.6 O=CC1COC1 5573AA [1,0,0,1,0,0|1,0,0]=3 387 B8R1.1 C=CC1CCC(=O)N1 X4185 [0,1,0,1,0,0|1,0,1]=4 388 B8R1.1 CC1=NOC(CN)C1 0418AD [0,1,0,1,0,0|2,0,0]=4 389 B8R1.1 CCC1COC(=O)N1 5157AD [0,1,0,1,0,0|1,0,0]=3 390 B8R1.1 CCC1CSC(C)=N1 5718AL [0,1,0,1,0,0|2,0,0]=4 391 B8R1.1 NCC1CCC(=O)N1 X3339 [0,1,0,1,0,0|1,0,0]=3 392 B8R1.1 O=C1CC(CO)CN1 7314AE [0,1,0,1,0,0|2,0,0]=4 393 B8R1.1 O=C1CCC(CO)C1 W1896 [0,1,0,1,0,0|1,0,0]=3 394 B8R1.1 O=C1CCC(CO)N1 9405AB [0,1,0,1,0,0|1,0,0]=3 395 B8R1.1 O=C1NCC(CO)O1 V7609 [0,1,0,1,0,0|1,0,0]=3 396 B8R1.1 OCC1CCC(O)C1 W1894 [0,1,0,1,0,0|1,0,1]=4 397 B8R1.4 CC1CC(=O)CCN1 1072AC [0,1,0,1,0,0|1,0,0]=3 398 B8R1.4 CC1CC(O)CCN1 1810AJ [0,1,0,1,0,0|1,0,1]=4 399 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,1,0,1,0,0|1,0,0]=3 400 B8R1.4 CC1CCOC(C)O1 5310AL [0,1,0,1,0,0|1,0,1]=4 401 B8R1.4 CC1COCC(=O)N1 V7159 [0,1,0,1,0,0|1,0,0]=3 402 B8R1.4 CN1CCCC(=O)C1 9933AH [0,1,0,1,0,0|1,0,0]=3 403 B8R1.4 CN1CCCC(=O)C1 9934AH [0,1,0,1,0,0|1,0,0]=3 404 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [0,1,0,1,0,0|1,0,1]=4 405 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,1,0,1,0,0|1,0,0]=3 406 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 8828AA [0,1,0,1,0,0|1,0,1]=4 407 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,1,0,1,0,0|1,0,0]=3 408 B8R1.4 C[C@H]1CNC[C@H](C)O1 8589AH [0,1,0,1,0,0|1,0,1]=4 409 B8R1.4 C[C@H]1COCC(=O)N1 Z8132 [0,1,0,1,0,0|1,0,0]=3 410 B8R1.4 NC1CCNC(=O)C1 X9664 [0,1,0,1,0,0|1,0,0]=3 411 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [0,1,0,1,0,0|1,0,1]=4 412 B8R1.18 CC1CC(Br)C(=O)O1 1181AQ [0,1,0,1,0,0|0,0,0]=2 413 B8R1.18 O=C1OC(Cl)C(Cl)O1 2585AL [0,1,0,1,0,0|2,0,0]=4 414 B8R1.34 CC(=O)OC1CNC1 9055AE [0,1,0,1,0,0|2,0,0]=4 415 B8R1.34 O=C(O)C=C1CCC1 1680AJ [0,1,0,1,0,0|0,0,1]=3 416 B8R1.34 O=C(O)CC1CNC1 1241AJ [0,1,0,1,0,0|0,0,0]=2 417 B8R1.40 NCC(=O)NC1CC1 4993AH [0,1,0,1,0,0|2,0,0]=4 418 B8R1.51 CC1(C)CC(=O)CS1 3715AB [0,1,0,1,0,0|2,0,0]=4 419 B8R1.51 CC1(C)CCC(=O)C1 V4062 [0,1,0,1,0,0|1,0,0]=3 420 B8R1.51 CC1(C)CNC(=O)O1 2855AL [0,1,0,1,0,0|1,0,0]=3 421 B8R1.51 CC1(C)COC(=O)C1 2579AL [0,1,0,1,0,0|2,0,0]=4 422 B8R1.51 CC1(C)OCC(=O)O1 5725AB [0,1,0,1,0,0|1,0,0]=3 423 B8R1.2 BrC=C1CCCCC1 0651AQ [0,1,0,1,0,0|2,0,0]=4 424 B8R1.2 COC1=CCOCC1 Y5304 [0,1,0,1,0,0|2,0,0]=4 425 B8R1.2 COC1CCCCC1 7515AL [0,1,0,1,0,0|1,0,1]=4 426 B8R1.2 N#CC1=CCCCC1 0160AQ [0,1,0,1,0,0|2,0,0]=4 427 B8R1.2 NCC1=CCCCC1 3737AB [0,1,0,1,0,0|2,0,0]=4 428 B8R1.2 NCC1CCCCO1 Y9814 [0,1,0,1,0,0|1,0,1]=4 429 B8R1.2 O=CC1CCCCN1 X3865 [0,1,0,1,0,0|1,0,1]=4 430 B8R1.3 CC1CCC(=O)NC1 3753AB [0,1,0,1,0,0|1,0,0]=3 431 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,1,0,1,0,0|1,0,0]=3 432 B8R1.3 NC1CCC(=O)NC1 7736AA [0,1,0,1,0,0|1,0,0]=3 433 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,1,0,1,0,0|1,0,0]=3 434 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,1,0,1,0,0|1,0,0]=3 435 B8R1.3 O=C1CCC(=O)NC1 7306AB [0,1,0,1,0,0|1,0,1]=4 436 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,1,0,1,0,0|1,0,0]=3 437 B8R1.3 O=C1CC[C@H](O)CN1 W4776 [0,1,0,1,0,0|1,0,0]=3 438 B8R1.5 CC1COCCC1=O Z3955 [0,1,0,1,0,0|2,0,0]=4 439 B8R1.5 CC1NCCNC1=O 1693AB [0,1,0,1,0,0|2,0,0]=4 440 B8R1.5 CC1OCCNC1=O 5590AJ [0,1,0,1,0,0|2,0,0]=4 441 B8R1.5 CN1CCNCC1=O 7723AJ [0,1,0,1,0,0|2,0,0]=4 442 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,1,0,1,0,0|1,0,1]=4 443 B8R1.5 NN1CCCCC1=O Z4590 [0,1,0,1,0,0|1,0,0]=3 444 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,1,0,1,0,0|1,0,0]=3 445 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,1,0,1,0,0|1,0,0]=3 446 B8R1.5 O=C1CCCC=C1Br V6293 [0,1,0,1,0,0|1,0,1]=4 447 B8R1.5 O=C1CCCC=C1I 2099AL [0,1,0,1,0,0|1,0,1]=4 448 B8R1.5 O=C1CCCCC1Br X5630 [0,1,0,1,0,0|1,0,0]=3 449 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,1,0,1,0,0|1,0,0]=3 450 B8R1.5 O=C1CCOCC1F W7452 [0,1,0,1,0,0|2,0,0]=4 451 B8R1.5 O=C1NCCCC1Br 4146AB [0,1,0,1,0,0|1,0,0]=3 452 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [0,1,0,1,0,0|1,0,1]=4 453 B8R1.22 BrC1=CCCCCC1 V3936 [0,1,0,1,0,0|2,0,0]=4 454 B8R1.22 O=C1CCCCNC1 0003AC [0,1,0,1,0,0|1,0,0]=3 455 B8R1.22 O=C1CCNCCN1 W5590 [0,1,0,1,0,0|1,0,0]=3 456 B8R1.22 O=C1CCSCCN1 9235AD [0,1,0,1,0,0|1,0,0]=3 457 B8R1.22 OC1CCCNCC1 V5726 [0,1,0,1,0,0|1,0,1]=4 458 B8R1.22 OC1CCCNCC1 X9141 [0,1,0,1,0,0|1,0,1]=4 459 B8R1.38 CNC(=O)C1CCC1 4798AA [0,1,0,1,0,0|1,0,0]=3 460 B8R1.38 COC(=O)C1CCN1 6194AA [0,1,0,1,0,0|1,0,0]=3 461 B8R1.38 COC(=O)[C@@H]1CCN1 W7941 [0,1,0,1,0,0|1,0,0]=3 462 B8R1.38 O=C(CBr)N1CCC1 4165AC [0,1,0,1,0,0|2,0,0]=4 463 B8R1.50 CC1=C(Br)C(=O)CC1 1360AQ [0,1,0,1,0,0|1,0,1]=4 464 B8R1.50 CC1CCC(=O)N1C 0337AQ [0,1,0,1,0,0|1,0,0]=3 465 B8R1.52 N#CC1(O)CCCC1 1636AL [0,1,0,1,0,0|1,0,1]=4 466 B8R1.52 NCC1(O)CCCC1 W8313 [0,1,0,1,0,0|1,0,1]=4 467 B8R1.7 CC(=O)C1CCNC1 Y4441 [0,1,0,1,0,0|1,0,0]=3 468 B8R1.7 CC(=O)N1CCCC1 4743AL [0,1,0,1,0,0|1,0,0]=3 469 B8R1.7 N=C(N)N1CCCC1 6760AA [0,1,0,1,0,0|2,0,0]=4 470 B8R1.7 NC(=O)C1CCNC1 Z4774 [0,1,0,1,0,0|1,0,0]=3 471 B8R1.7 NC(=O)[C@@H]1CCNC1 Z9357 [0,1,0,1,0,0|1,0,0]=3 472 B8R1.7 NC(=O)[C@H]1CCNC1 4853AJ [0,1,0,1,0,0|1,0,0]=3 473 B8R1.7 NC(=S)N1CCCC1 V5782 [0,1,0,1,0,0|1,1,0]=4 474 B8R1.7 O=C(O)C1=COCC1 W9830 [0,1,0,1,0,0|0,0,2]=4 475 B8R1.7 O=C(O)C1C=CCO1 1916AL [0,1,0,1,0,0|0,0,2]=4 476 B8R1.7 O=C(O)[C@@H]1CCCN1 2188AC [0,1,0,1,0,0|0,0,0]=2 477 B8R1.7 O=C(O)[C@@H]1CCOC1 W7757 [0,1,0,1,0,0|0,0,0]=2 478 B8R1.7 O=C(O)[C@H]1CCOC1 Z1983 [0,1,0,1,0,0|0,0,0]=2 479 B8R1.35 N=C(N)SCC1CC1 3978AJ [0,1,0,1,0,0|2,0,0]=4 480 B8R1.35 O=C(O)C#CC1CC1 0479AQ [0,1,0,1,0,0|0,0,1]=3 481 B8R1.72 N=S1(=O)CCOCC1 X2152 [0,1,0,1,0,0|2,0,0]=4 482 B8R1.23 CC1CC(C(=O)O)C1 3997AC [0,1,0,1,0,0|0,0,0]=2 483 B8R1.23 C[C@H]1C[C@@H](C(=O)O)C1 3996AC [0,1,0,1,0,0|0,0,0]=2 484 B8R1.23 NC1CC(C(=O)O)C1 2935AC [0,1,0,1,0,0|0,0,0]=2 485 B8R1.23 NC1CC(C(=O)O)C1 3481AA [0,1,0,1,0,0|0,0,0]=2 486 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 W8206 [0,1,0,1,0,0|0,0,0]=2 487 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 2936AC [0,1,0,1,0,0|0,0,0]=2 488 B8R1.23 N[C@H]1C[C@H](C(=O)O)C1 W8205 [0,1,0,1,0,0|0,0,0]=2 489 B8R1.54 NC(C(=O)O)C1CC1 7918AA [0,1,0,1,0,0|0,0,0]=2 490 B8R1.78 NC1(C(=O)O)CNC1 6694AA [0,1,0,1,0,0|1,0,0]=3 491 B8R1.77 CC1(C)CC1C(N)=O 5881AD [0,1,0,1,0,0|1,0,0]=3 492 B8R1.77 O=C(O)C1CC1(Cl)Cl 5151AE [0,1,0,1,0,0|1,0,0]=3 493 B8R1.77 O=C(O)C1CC1(F)Cl 2031AL [0,1,0,1,0,0|1,0,0]=3 494 B8R2.18 OC1CC2CC2C1 4817AC [0,0,0,2,0,0|1,0,1]=4 495 B8R2.34 C12CCC(CC1)O2 6894AL [0,0,0,2,0,0|1,0,1]=4