0 B6R0.6 C=CCC\C=C\C 4658AL [0,0,0,0,0,0|1,0,3]=4 1 B6R0.6 C=CCSCCC R577 [0,0,0,0,0,0|2,0,2]=4 2 B6R0.6 CC#CCCCC 5638AL [0,0,0,0,0,0|1,0,3]=4 3 B6R0.6 CC=C=CCCO 1076AQ [0,0,0,0,0,0|0,0,2]=2 4 B6R0.6 CCCCCSC 7567AF [0,0,0,0,0,0|2,0,2]=4 5 B6R0.6 CCCCOCC 7302AL [0,0,0,0,0,0|2,0,1]=3 6 B6R0.6 CCCOCCC 7558AF [0,0,0,0,0,0|2,0,1]=3 7 B6R0.6 CCCSCCC 7569AF [0,0,0,0,0,0|2,0,1]=3 8 B6R0.6 CCC\C=C/CO 7423AL [0,0,0,0,0,0|0,0,2]=2 9 B6R0.6 CCOCCNC 5385AD [0,0,0,0,0,0|3,0,1]=4 10 B6R0.6 CC\C=C\CCC 9219AL [0,0,0,0,0,0|1,0,0]=1 11 B6R0.6 C\C=C/CCCC 7422AL [0,0,0,0,0,0|1,0,2]=3 12 B6R0.6 C\C=C/CCCCl 7455AL [0,0,0,0,0,0|1,0,2]=3 13 B6R0.6 C\C=C\CCCC 7780AF [0,0,0,0,0,0|1,0,2]=3 14 B6R0.6 C\C=C\SCCC U946 [0,0,0,0,0,0|2,0,1]=3 15 B6R0.6 NCCNCCCl 8169AB [0,0,0,0,0,0|3,0,1]=4 16 B6R0.6 NCCOCCN 1537AL [0,0,0,0,0,0|3,0,1]=4 17 B6R0.6 NCCSCCN K553 [0,0,0,0,0,0|3,0,1]=4 18 B6R0.6 NCCSCCO 8189AD [0,0,0,0,0,0|2,0,1]=3 19 B6R0.6 SCCSCCS Q406 [0,0,0,0,0,0|2,1,1]=4 20 B5R0.2 C=CCCCN 7616AH [1,0,0,0,0,0|1,0,2]=4 21 B5R0.2 C=CCOCC 5601AE [1,0,0,0,0,0|2,0,1]=4 22 B5R0.2 C=CC\C=C/C 0307AQ [1,0,0,0,0,0|1,0,1]=3 23 B5R0.2 CC#CCCO 6150AL [1,0,0,0,0,0|0,0,2]=3 24 B5R0.2 CCCCOC 7303AL [1,0,0,0,0,0|1,0,2]=4 25 B5R0.2 CCCNCC 8554AL [1,0,0,0,0,0|1,0,1]=3 26 B5R0.2 CCCOCC 7892AL [1,0,0,0,0,0|1,0,1]=3 27 B5R0.2 CCCOCCl 4494AB [1,0,0,0,0,0|2,0,1]=4 28 B5R0.2 CCCSCC R576 [1,0,0,0,0,0|1,0,1]=3 29 B5R0.2 CCC\C=N\O 7272AF [1,0,0,0,0,0|1,0,1]=3 30 B5R0.2 CCOCCN 3903AD [1,0,0,0,0,0|2,0,0]=3 31 B5R0.2 CC[Se][Se]CC 7651AL [1,0,0,0,0,0|2,0,0]=3 32 B5R0.2 CC\C=C\C#N 5776AL [1,0,0,0,0,0|1,0,1]=3 33 B5R0.2 COCCCI 9890AH [1,0,0,0,0,0|2,0,1]=4 34 B5R0.2 ClCCOCCl 7247AA [1,0,0,0,0,0|3,0,0]=4 35 B5R0.2 NC\C=C/CCl 3552AH [1,0,0,0,0,0|2,0,0]=3 36 B5R0.2 NC\C=C/CN Z2171 [1,0,0,0,0,0|2,0,0]=3 37 B5R0.2 NOC\C=C\Cl 6798AC [1,0,0,0,0,0|3,0,0]=4 38 B5R0.2 OCC#CCCl 0022AQ [1,0,0,0,0,0|1,0,2]=4 39 B7R0.1 CCC#CCCCC 7931AF [0,1,0,0,0,0|1,0,2]=4 40 B7R0.1 CCCCCC[Mg]Br 8700AJ [0,1,0,0,0,0|1,0,2]=4 41 B7R0.1 CCCCOCCCl 5574AL [0,1,0,0,0,0|1,0,2]=4 42 B7R0.1 CCCCOCCN 7133AE [0,1,0,0,0,0|1,0,2]=4 43 B7R0.1 CCCC\C=C\CO 9204AL [0,1,0,0,0,0|0,0,2]=3 44 B7R0.1 CCNCCOCC 2091AE [0,1,0,0,0,0|2,0,1]=4 45 B7R0.1 CC\C=C\CCCC 9221AL [0,1,0,0,0,0|1,0,0]=2 46 B7R0.1 COCCOCCI 0278AP [0,1,0,0,0,0|2,0,1]=4 47 B7R0.1 COCCOCCS 1037AQ [0,1,0,0,0,0|1,1,1]=4 48 B7R0.1 C\C=C/CCCCC 7427AL [0,1,0,0,0,0|1,0,2]=4 49 B7R0.1 C\C=C\CCCCC 7960AF [0,1,0,0,0,0|1,0,2]=4 50 B7R0.1 N#CCCSCCO 4958AD [0,1,0,0,0,0|1,0,2]=4 51 B7R0.1 N#CC\C=C\CC#N 7650AF [0,1,0,0,0,0|1,0,2]=4 52 B7R0.1 OCCCNCCO 2316AL [0,1,0,0,0,0|1,0,1]=3 53 B7R0.1 OCC\C=C\CCO 0001AQ [0,1,0,0,0,0|0,0,0]=1 54 B7R0.3 C=C(CC)CCCC 5608AL [0,1,0,0,0,0|1,0,1]=3 55 B7R0.3 CCC(=O)NCCN 3366AF [0,1,0,0,0,0|2,0,0]=3 56 B7R0.3 CCC(=O)NCCO 8325AL [0,1,0,0,0,0|1,0,0]=2 57 B7R0.3 CCC(Cl)CCCCl 4475AE [0,1,0,0,0,0|1,0,2]=4 58 B7R0.3 CCCCC(C)CC 6251AE [0,1,0,0,0,0|1,0,2]=4 59 B7R0.3 CCCCC(O)CC 8762AB [0,1,0,0,0,0|1,0,2]=4 60 B7R0.3 CCCC[C@H](N)CO 7337AH [0,1,0,0,0,0|0,0,2]=3 61 B7R0.3 CCC\C=C(/C)CC 6104AL [0,1,0,0,0,0|1,0,0]=2 62 B7R0.3 CCN(C)CCCO 4272AE [0,1,0,0,0,0|1,0,1]=3 63 B7R0.3 CCOCC(N)CC 8270AE [0,1,0,0,0,0|2,0,1]=4 64 B7R0.3 CCOCC(O)CN 1272AE [0,1,0,0,0,0|2,0,1]=4 65 B7R0.3 CC[C@H](C)CCCO 4203AL [0,1,0,0,0,0|0,0,2]=3 66 B7R0.3 CNC(=O)CCCN 5583AD [0,1,0,0,0,0|2,0,1]=4 67 B7R0.3 COC(=N)CCCCl 2164AC [0,1,0,0,0,0|2,0,1]=4 68 B7R0.3 COC(=O)C#CCO 3414AB [0,1,0,0,0,0|1,0,2]=4 69 B7R0.3 COC(=O)CCCS X9990 [0,1,0,0,0,0|1,1,1]=4 70 B7R0.3 COCO[C@@H](C)CO X7350 [0,1,0,0,0,0|2,0,1]=4 71 B7R0.3 CSCCC(N)CO 8517AA [0,1,0,0,0,0|1,0,2]=4 72 B7R0.3 NCC(=O)NCCO 0947AF [0,1,0,0,0,0|2,0,0]=3 73 B7R0.4 CC(=O)NCCCO 8280AC [0,1,0,0,0,0|1,0,2]=4 74 B7R0.4 CC(C)=C=CCCO 0509AQ [0,1,0,0,0,0|0,0,2]=3 75 B7R0.4 CC(C)CCCCO 6988AE [0,1,0,0,0,0|0,0,2]=3 76 B7R0.4 CC(C)COCCN 0042AD [0,1,0,0,0,0|2,0,1]=4 77 B7R0.4 CC(C)CSCCO 5051AL [0,1,0,0,0,0|1,0,1]=3 78 B7R0.4 CC(C)OCCCCl U192 [0,1,0,0,0,0|2,0,1]=4 79 B7R0.4 CC(C)OCCCO 9315AD [0,1,0,0,0,0|1,0,1]=3 80 B7R0.4 CC(O)CNCCO 7542AE [0,1,0,0,0,0|1,0,1]=3 81 B7R0.4 CCCCCC(C)C 5733AL [0,1,0,0,0,0|1,0,2]=4 82 B7R0.4 CCCCCC(C)Cl 5577AL [0,1,0,0,0,0|1,0,2]=4 83 B7R0.4 CCCCNC(C)C 2334AE [0,1,0,0,0,0|2,0,1]=4 84 B7R0.4 CCSCCC(=O)O 8721AE [0,1,0,0,0,0|1,0,2]=4 85 B7R0.7 C=CCC(=O)OCC X3652 [0,1,0,0,0,0|2,0,1]=4 86 B7R0.7 CCCC(C)CCO 6091AL [0,1,0,0,0,0|0,0,2]=3 87 B7R0.7 CCCN(C)CCC 0883AE [0,1,0,0,0,0|2,0,1]=4 88 B7R0.7 CCC[C@H](N)CCO 0636AC [0,1,0,0,0,0|0,0,2]=3 89 B7R0.7 CCNC(=O)CCN 1836AD [0,1,0,0,0,0|2,0,0]=3 90 B7R0.7 CCOC(=N)CCCl 7257AD [0,1,0,0,0,0|2,0,0]=3 91 B7R1.1 BrCC1CCCN1 6324AA [0,0,0,1,0,0|2,0,1]=4 92 B7R1.1 BrCC1CCOC1 8390AA [0,0,0,1,0,0|2,0,1]=4 93 B7R1.1 CCC1=CC=NO1 3273AB [0,0,0,1,0,0|1,0,1]=3 94 B7R1.1 CCC1=CNC=N1 6226AL [0,0,0,1,0,0|2,0,1]=4 95 B7R1.1 CCC1=CNN=C1 5501AD [0,0,0,1,0,0|3,0,0]=4 96 B7R1.1 CCC1=NN=CO1 5828AA [0,0,0,1,0,0|2,0,1]=4 97 B7R1.1 CCC1=NNC=C1 6654AA [0,0,0,1,0,0|2,0,1]=4 98 B7R1.1 CCC1CCCC1 7901AL [0,0,0,1,0,0|1,0,2]=4 99 B7R1.1 CCC1CCCN1 7143AC [0,0,0,1,0,0|1,0,2]=4 100 B7R1.1 CCC1CCNC1 9496AE [0,0,0,1,0,0|2,0,1]=4 101 B7R1.1 CCN1CCCC1 8555AL [0,0,0,1,0,0|2,0,1]=4 102 B7R1.1 COC1=CC=CO1 2109AL [0,0,0,1,0,0|1,0,2]=4 103 B7R1.1 COC1=NCCN1 2725AB [0,0,0,1,0,0|3,0,0]=4 104 B7R1.1 CSC1=NCCN1 1402AQ [0,0,0,1,0,0|3,0,0]=4 105 B7R1.1 CSC1=NCCS1 X2626 [0,0,0,1,0,0|2,1,0]=4 106 B7R1.1 ClCC1=CN=CO1 8892AA [0,0,0,1,0,0|2,0,1]=4 107 B7R1.1 ClC[C@@H]1CCCN1 9398AA [0,0,0,1,0,0|2,0,1]=4 108 B7R1.1 FC[C@@H]1CCCN1 1290AF [0,0,0,1,0,0|2,0,1]=4 109 B7R1.1 NCC1CCCC1 3974AJ [0,0,0,1,0,0|1,0,2]=4 110 B7R1.1 NCC1CCCC1 3975AJ [0,0,0,1,0,0|1,0,2]=4 111 B7R1.1 NCC1CCNC1 0361AC [0,0,0,1,0,0|2,0,1]=4 112 B7R1.1 NCC1OCCO1 6055AB [0,0,0,1,0,0|2,0,1]=4 113 B7R1.1 NC[C@@H]1CCCN1 O008 [0,0,0,1,0,0|2,0,1]=4 114 B7R1.1 NC[C@H]1CCCN1 1217AC [0,0,0,1,0,0|2,0,1]=4 115 B7R1.1 OCC1=CC=NO1 6850AC [0,0,0,1,0,0|2,0,1]=4 116 B7R1.1 OCC1=NNC=C1 X6393 [0,0,0,1,0,0|2,0,1]=4 117 B7R1.1 OCC1CCNC1 W6601 [0,0,0,1,0,0|1,0,1]=3 118 B7R1.1 OCN1C=CN=C1 9540AF [0,0,0,1,0,0|2,0,1]=4 119 B7R1.3 CC1=CCC=CC1 7751AF [0,0,0,1,0,0|1,0,2]=4 120 B7R1.3 CC1C=CCCC1 6090AL [0,0,0,1,0,0|1,0,0]=2 121 B7R1.3 CC1CCCCN1 7117AB [0,0,0,1,0,0|1,0,2]=4 122 B7R1.3 CC1CCOCO1 8171AJ [0,0,0,1,0,0|1,0,2]=4 123 B7R1.3 CC1CNCCO1 8808AB [0,0,0,1,0,0|1,0,1]=3 124 B7R1.3 C[C@@H]1CCCNC1 Z4441 [0,0,0,1,0,0|2,0,1]=4 125 B7R1.3 FC1CCCCC1 1850AE [0,0,0,1,0,0|1,0,2]=4 126 B7R1.3 FC1CCCNC1 0816AQ [0,0,0,1,0,0|2,0,1]=4 127 B7R1.3 IC1CCNCC1 Z9919 [0,0,0,1,0,0|2,0,1]=4 128 B7R1.3 NC1CC=CCC1 3966AJ [0,0,0,1,0,0|1,0,0]=2 129 B7R1.3 NC1CCCOC1 0386AC [0,0,0,1,0,0|2,0,1]=4 130 B7R1.3 N[C@@H]1CCCNC1 X9699 [0,0,0,1,0,0|2,0,1]=4 131 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,0,0,1,0,0|2,0,1]=4 132 B7R1.3 O=C1C=CCCN1 9030AB [0,0,0,1,0,0|2,0,1]=4 133 B7R1.3 ON1CCCCC1 W6467 [0,0,0,1,0,0|1,0,2]=4 134 B7R1.4 NC1COCC1O 5780AA [0,0,0,1,0,0|2,0,1]=4 135 B7R1.4 NC1COCC1O 7148AA [0,0,0,1,0,0|2,0,1]=4 136 B7R1.4 NC1CSCC1O 0027AD [0,0,0,1,0,0|2,0,1]=4 137 B7R1.4 N[C@@H]1COC[C@H]1O 8700AH [0,0,0,1,0,0|2,0,1]=4 138 B7R1.4 N[C@H]1CCC[C@@H]1O 5744AC [0,0,0,1,0,0|1,0,2]=4 139 B7R1.4 N[C@H]1COC[C@@H]1O 4688AJ [0,0,0,1,0,0|2,0,1]=4 140 B7R1.4 O[C@H]1CCC[C@H]1O 0705AP [0,0,0,1,0,0|1,0,2]=4 141 B7R1.4 O[C@H]1CNC[C@@H]1O Z4539 [0,0,0,1,0,0|2,0,1]=4 142 B7R1.6 ClCCN1CCC1 2792AA [0,0,0,1,0,0|2,0,1]=4 143 B7R1.6 OCCN1CCC1 0462AC [0,0,0,1,0,0|1,0,1]=3 144 B7R1.7 CCNCC1CC1 8749AD [0,0,0,1,0,0|2,0,1]=4 145 B7R1.7 CCOCC1CO1 7875AL [0,0,0,1,0,0|1,0,1]=3 146 B7R1.7 CO\C=C\C1CC1 8518AH [0,0,0,1,0,0|2,0,0]=3 147 B7R1.24 C1=CCCCCC1 7508AL [0,0,0,1,0,0|1,0,0]=2 148 B4R0.2 C=C=CCO 0432AQ [2,0,0,0,0,0|0,0,2]=4 149 B4R0.2 CCC=NO 0148AQ [2,0,0,0,0,0|1,0,0]=3 150 B4R0.2 CCCCF 8004AD [2,0,0,0,0,0|1,0,0]=3 151 B4R0.2 CCCNN 4415AE [2,0,0,0,0,0|2,0,0]=4 152 B4R0.2 CCCOC 4896AL [2,0,0,0,0,0|1,0,1]=4 153 B4R0.2 CCCON 6597AE [2,0,0,0,0,0|2,0,0]=4 154 B4R0.2 CCCSC U677 [2,0,0,0,0,0|1,0,1]=4 155 B4R0.2 CCSCC E138 [2,0,0,0,0,0|1,0,0]=3 156 B4R0.2 CSCCBr Y1764 [2,0,0,0,0,0|2,0,0]=4 157 B4R0.2 C\C=C/CC 7428AL [2,0,0,0,0,0|0,0,0]=2 158 B4R0.2 Cl\C=C/CCl 7411AL [2,0,0,0,0,0|2,0,0]=4 159 B6R0.1 CCC(=O)CSC K829 [1,1,0,0,0,0|1,0,1]=4 160 B6R0.1 CCCC(=O)SC 8847AJ [1,1,0,0,0,0|1,0,1]=4 161 B6R0.1 CCCC(Br)CC 3975AB [1,1,0,0,0,0|0,0,2]=4 162 B6R0.1 CCCC(C)CC 7810AF [1,1,0,0,0,0|0,0,2]=4 163 B6R0.1 CCCC(C)CO 1207AA [1,1,0,0,0,0|0,0,1]=3 164 B6R0.1 CCCC(O)CC 7557AF [1,1,0,0,0,0|0,0,2]=4 165 B6R0.1 CCC[C@@H](N)CO 2554AC [1,1,0,0,0,0|0,0,1]=3 166 B6R0.1 CCNC(=O)CBr 5060AE [1,1,0,0,0,0|2,0,0]=4 167 B6R0.1 CCNC(=O)CN 8793AD [1,1,0,0,0,0|2,0,0]=4 168 B6R0.1 CCNC(C)CC 7145AD [1,1,0,0,0,0|1,0,1]=4 169 B6R0.1 CCNC(C)CO 8218AD [1,1,0,0,0,0|1,0,0]=3 170 B6R0.1 CCOC(=N)CC 8352AC [1,1,0,0,0,0|1,0,0]=3 171 B6R0.1 CCOC(C)CC 8956AL [1,1,0,0,0,0|1,0,1]=4 172 B6R0.1 CCOC(C)CN 0082AD [1,1,0,0,0,0|2,0,0]=4 173 B6R0.1 CCSC(=O)CC 8960AL [1,1,0,0,0,0|1,0,0]=3 174 B6R0.1 CC[C@H](C)CCO 4202AL [1,1,0,0,0,0|0,0,1]=3 175 B6R0.1 CNC(=O)CCCl 2983AE [1,1,0,0,0,0|2,0,0]=4 176 B6R0.1 CNC(=O)CCO 8079AE [1,1,0,0,0,0|1,0,0]=3 177 B6R0.1 CNC(C)CCO 8891AD [1,1,0,0,0,0|1,0,1]=4 178 B6R0.1 COC(=O)CCN 5700AB [1,1,0,0,0,0|2,0,0]=4 179 B6R0.1 N\C(CCO)=N/O 5078AE [1,1,0,0,0,0|2,0,0]=4 180 B6R0.1 OCC[C@@H](O)CO W7968 [1,1,0,0,0,0|1,0,1]=4 181 B6R0.4 C=C(C)CCCC 5699AL [1,1,0,0,0,0|1,0,1]=4 182 B6R0.4 CC(=O)CCCBr W5938 [1,1,0,0,0,0|1,0,1]=4 183 B6R0.4 CC(=O)NCCCl W8163 [1,1,0,0,0,0|2,0,0]=4 184 B6R0.4 CC(=O)OCCCl 7237AF [1,1,0,0,0,0|2,0,0]=4 185 B6R0.4 CC(=O)SCCN 5884AD [1,1,0,0,0,0|2,0,0]=4 186 B6R0.4 CC(C)CCCCl 6814AE [1,1,0,0,0,0|1,0,1]=4 187 B6R0.4 CC(C)NCCCl 9576AB [1,1,0,0,0,0|2,0,0]=4 188 B6R0.4 CC(C)SCCCl 3252AE [1,1,0,0,0,0|2,0,0]=4 189 B6R0.4 CCCC=C(C)C 5704AL [1,1,0,0,0,0|1,0,0]=3 190 B6R0.4 CCCCC(C)Br 5535AL [1,1,0,0,0,0|0,0,2]=4 191 B6R0.4 CCCCC(C)C 5734AL [1,1,0,0,0,0|0,0,2]=4 192 B6R0.4 CCCCC(C)Cl 5578AL [1,1,0,0,0,0|0,0,2]=4 193 B6R0.4 CCCCC(C)N 7573AF [1,1,0,0,0,0|0,0,2]=4 194 B6R0.4 CCCCC(C)O 9467AB [1,1,0,0,0,0|0,0,1]=3 195 B6R0.4 CCOCC(C)N 0535AD [1,1,0,0,0,0|1,0,1]=4 196 B6R0.4 CC\C=C\C(=O)O 6805AA [1,1,0,0,0,0|0,0,1]=3 197 B6R0.4 C\C=C\CC(C)C 6798AL [1,1,0,0,0,0|1,0,0]=3 198 B6R0.4 FC(F)=CCCBr 4541AD [1,1,0,0,0,0|2,0,0]=4 199 B6R0.4 OB(O)\C=C\CCl 0985AB [1,1,0,0,0,0|2,0,0]=4 200 B8R0.1 CCCCC(=O)CCC 8758AB [0,2,0,0,0,0|1,0,1]=4 201 B8R0.1 CCCNC(=O)CCN 2039AD [0,2,0,0,0,0|1,0,1]=4 202 B8R0.1 CCCNC(=O)CNC 2661AF [0,2,0,0,0,0|2,0,0]=4 203 B8R0.1 CCCNC(=O)CNC 8106AC [0,2,0,0,0,0|2,0,0]=4 204 B8R0.1 CCOC(=O)CCOC 6085AL [0,2,0,0,0,0|1,0,0]=3 205 B8R0.1 CNCC(=O)NCCO 2049AD [0,2,0,0,0,0|1,0,0]=3 206 B8R0.1 C\C=C\C(=O)CCCC 5771AL [0,2,0,0,0,0|1,0,1]=4 207 B8R0.1 NCCC(=O)NCCO 2327AD [0,2,0,0,0,0|1,0,0]=3 208 B8R0.4 CCC\C=C/CCCC 7450AL [0,2,0,0,0,0|1,0,0]=3 209 B8R0.4 CNCCCCCCO 4396AE [0,2,0,0,0,0|0,0,2]=4 210 B8R0.4 COCCCCCOC 4651AL [0,2,0,0,0,0|0,0,2]=4 211 B8R0.4 COCCNCCCN 6292AD [0,2,0,0,0,0|1,0,1]=4 212 B8R0.4 COCCOCCCBr 5812AL [0,2,0,0,0,0|1,0,1]=4 213 B8R0.4 N#CCCNCCCO 0976AE [0,2,0,0,0,0|1,0,1]=4 214 B8R0.4 NCCCNCCCO 2647AE [0,2,0,0,0,0|0,0,2]=4 215 B8R0.6 C#C[C@@H](O)CCCCC 4835AJ [0,2,0,0,0,0|0,0,2]=4 216 B8R0.6 COCCNC(=O)CCl 0644AA [0,2,0,0,0,0|2,0,0]=4 217 B8R0.6 COCCNC(=O)CN 2350AD [0,2,0,0,0,0|2,0,0]=4 218 B8R0.6 NCC(=O)NCCCO 2231AD [0,2,0,0,0,0|1,0,1]=4 219 B8R0.6 NCCCC[C@H](N)CO 1979AA [0,2,0,0,0,0|0,0,2]=4 220 B8R0.7 CC(C)CNCCCO 9143AD [0,2,0,0,0,0|0,0,2]=4 221 B8R0.7 CCCCCC[C@H](C)O D263 [0,2,0,0,0,0|0,0,2]=4 222 B8R0.7 CN(C)CCNCCO 2146AE [0,2,0,0,0,0|1,0,1]=4 223 B8R0.3 C=C(CO)C(=O)OCC X8486 [0,2,0,0,0,0|1,0,1]=4 224 B8R0.3 CCCC(=O)C(C)CC 7877AA [0,2,0,0,0,0|1,0,1]=4 225 B8R0.3 CN(CCO)C(=O)CN 2090AD [0,2,0,0,0,0|2,0,0]=4 226 B8R0.8 CC(N)C(=O)NCCO 2846AD [0,2,0,0,0,0|1,0,0]=3 227 B8R0.8 CC(O)C(=O)NCCO 8324AL [0,2,0,0,0,0|1,0,0]=3 228 B8R0.8 CCCCC(=O)C(C)C 5543AA [0,2,0,0,0,0|1,0,1]=4 229 B8R0.8 CCCOC(=O)[C@H](C)O 7652AB [0,2,0,0,0,0|2,0,0]=4 230 B8R0.9 CCC(=O)CCC(C)C 7962AF [0,2,0,0,0,0|1,0,1]=4 231 B8R0.9 CCC(=O)NCC(=O)O 7387AD [0,2,0,0,0,0|1,0,1]=4 232 B8R0.9 CCC(C)CCC(C)O 6794AL [0,2,0,0,0,0|0,0,2]=4 233 B8R0.11 CCCCC(CO)CO 2148AL [0,2,0,0,0,0|0,0,2]=4 234 B8R0.19 COC(=O)C[C@H](O)CO 5051AC [0,2,0,0,0,0|1,0,1]=4 235 B8R0.5 CC(C)NC(=O)CCN 9774AC [0,2,0,0,0,0|2,0,0]=4 236 B8R0.5 CCCC(=O)NC(C)C 4245AA [0,2,0,0,0,0|2,0,0]=4 237 B8R0.5 CCOC(=O)CC(C)Br 1536AC [0,2,0,0,0,0|2,0,0]=4 238 B8R0.28 CC(C)\C=C\CC(C)C 5417AL [0,2,0,0,0,0|1,0,0]=3 239 B6R1.1 C1=NCCCN1 0674AQ [1,0,0,1,0,0|2,0,0]=4 240 B6R1.1 C1CCONC1 9605AH [1,0,0,1,0,0|1,0,1]=4 241 B6R1.1 C1COCCO1 7285AL [1,0,0,1,0,0|1,0,0]=3 242 B6R1.1 C1CSCCN1 8883AB [1,0,0,1,0,0|1,1,0]=4 243 B6R1.2 CC1=CCCC1 9313AJ [1,0,0,1,0,0|1,0,0]=3 244 B6R1.2 CC1=CCCO1 0728AQ [1,0,0,1,0,0|0,0,0]=2 245 B6R1.2 CC1CCCN1 0591AQ [1,0,0,1,0,0|1,0,1]=4 246 B6R1.2 CC1CCCS1 7972AJ [1,0,0,1,0,0|0,1,1]=4 247 B6R1.2 CC1CCNC1 X9461 [1,0,0,1,0,0|1,0,1]=4 248 B6R1.2 CC1CCOC1 6124AL [1,0,0,1,0,0|1,0,1]=4 249 B6R1.2 CC1COCO1 6593AL [1,0,0,1,0,0|1,0,1]=4 250 B6R1.2 CC1OCCO1 7260AF [1,0,0,1,0,0|1,0,0]=3 251 B6R1.2 C[C@@H]1CCCN1 V2030 [1,0,0,1,0,0|1,0,1]=4 252 B6R1.2 ClC1=CCCC1 9304AJ [1,0,0,1,0,0|2,0,0]=4 253 B6R1.2 FC1CCCC1 7941AL [1,0,0,1,0,0|1,0,1]=4 254 B6R1.2 FC1CCNC1 W3697 [1,0,0,1,0,0|2,0,0]=4 255 B6R1.2 FC1CCNC1 X9172 [1,0,0,1,0,0|2,0,0]=4 256 B6R1.2 F[C@H]1CCNC1 9169AH [1,0,0,1,0,0|2,0,0]=4 257 B6R1.2 NC1=NCCO1 5489AL [1,0,0,1,0,0|2,0,0]=4 258 B6R1.2 NC1CCOC1 W9158 [1,0,0,1,0,0|2,0,0]=4 259 B6R1.2 N[C@H]1CCNC1 N118 [1,0,0,1,0,0|2,0,0]=4 260 B6R1.2 N[C@H]1CCOC1 W4304 [1,0,0,1,0,0|2,0,0]=4 261 B6R1.2 OC1CNOC1 0177AF [1,0,0,1,0,0|2,0,0]=4 262 B6R1.2 O[C@H]1CCSC1 Y1948 [1,0,0,1,0,0|1,0,0]=3 263 B6R1.2 S=C1NCCO1 1519AL [1,0,0,1,0,0|2,0,0]=4 264 B6R1.3 BrCCC1CC1 8486AH [1,0,0,1,0,0|1,0,1]=4 265 B6R1.3 CCCC1CO1 4468AL [1,0,0,1,0,0|0,0,1]=3 266 B6R1.3 CCNC1CC1 2347AB [1,0,0,1,0,0|1,0,1]=4 267 B6R1.3 CCNC1CC1 3977AJ [1,0,0,1,0,0|1,0,1]=4 268 B6R1.3 COC[C@@H]1CO1 9238AJ [1,0,0,1,0,0|1,0,1]=4 269 B6R1.3 COC[C@H]1CO1 9221AJ [1,0,0,1,0,0|1,0,1]=4 270 B6R1.3 ICCC1CC1 8514AH [1,0,0,1,0,0|1,0,1]=4 271 B6R1.6 NCC1CCN1 0858AA [1,0,0,1,0,0|2,0,0]=4 272 B6R1.6 NCC1CCN1 6521AH [1,0,0,1,0,0|2,0,0]=4 273 B6R1.6 NCC1CCO1 V8594 [1,0,0,1,0,0|1,0,1]=4 274 B8R1.2 CCC1CNCCO1 Z8593 [0,1,0,1,0,0|0,0,2]=4 275 B8R1.2 CC[C@@H]1COCCN1 1582AC [0,1,0,1,0,0|1,0,1]=4 276 B8R1.2 CC[C@H]1COCCN1 X3457 [0,1,0,1,0,0|1,0,1]=4 277 B8R1.2 COC1=CCOCC1 Y5304 [0,1,0,1,0,0|2,0,0]=4 278 B8R1.2 COC1CCCCC1 7515AL [0,1,0,1,0,0|0,0,2]=4 279 B8R1.2 N#CC1CC=CCC1 6461AL [0,1,0,1,0,0|1,0,0]=3 280 B8R1.2 NCC1=CCCCC1 3737AB [0,1,0,1,0,0|2,0,0]=4 281 B8R1.2 NCC1CCCCO1 Y9814 [0,1,0,1,0,0|0,0,2]=4 282 B8R1.2 NCC1COCCO1 9635AH [0,1,0,1,0,0|1,0,1]=4 283 B8R1.2 NC[C@@H]1COCCO1 8541AH [0,1,0,1,0,0|1,0,1]=4 284 B8R1.2 OCC1CCCNC1 W3153 [0,1,0,1,0,0|0,0,2]=4 285 B8R1.2 OCC1CCOCO1 6434AB [0,1,0,1,0,0|1,0,1]=4 286 B8R1.2 OCC1CNCCN1 4453AJ [0,1,0,1,0,0|1,0,1]=4 287 B8R1.2 OCC1CNCCN1 X9517 [0,1,0,1,0,0|1,0,1]=4 288 B8R1.2 OCC1COCCO1 9399AD [0,1,0,1,0,0|1,0,1]=4 289 B8R1.2 OC[C@@H]1CCCNC1 W5857 [0,1,0,1,0,0|0,0,2]=4 290 B8R1.2 OC[C@@H]1CNCCN1 W3264 [0,1,0,1,0,0|1,0,1]=4 291 B8R1.2 OC[C@@H]1COCCO1 8542AH [0,1,0,1,0,0|1,0,1]=4 292 B8R1.2 OC[C@H]1CCCNC1 2192AA [0,1,0,1,0,0|0,0,2]=4 293 B8R1.2 OC[C@H]1CNCCO1 W3408 [0,1,0,1,0,0|1,0,1]=4 294 B8R1.2 OC[C@H]1COCCN1 W4406 [0,1,0,1,0,0|1,0,1]=4 295 B8R1.5 CC1CCNCC1O 2895AJ [0,1,0,1,0,0|0,0,2]=4 296 B8R1.5 CC1CNCCC1O 3011AA [0,1,0,1,0,0|0,0,2]=4 297 B8R1.5 CC1NCCNC1=O 1693AB [0,1,0,1,0,0|2,0,0]=4 298 B8R1.5 CC1OCCNC1=O 5590AJ [0,1,0,1,0,0|1,0,0]=3 299 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,1,0,1,0,0|0,0,2]=4 300 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [0,1,0,1,0,0|0,0,2]=4 301 B8R1.5 NC1CCNCC1O 0385AQ [0,1,0,1,0,0|1,0,1]=4 302 B8R1.5 NC1COCCC1O Y6179 [0,1,0,1,0,0|1,0,1]=4 303 B8R1.5 N[C@@H]1CC=CC[C@H]1N 0209AQ [0,1,0,1,0,0|1,0,0]=3 304 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [0,1,0,1,0,0|0,0,2]=4 305 B8R1.5 O[C@H]1CCNC[C@@H]1O 5210AB [0,1,0,1,0,0|1,0,1]=4 306 B8R1.8 CCCC1=CC=CO1 Z5525 [0,1,0,1,0,0|0,0,2]=4 307 B8R1.8 CCCC1=NCCN1 5769AL [0,1,0,1,0,0|1,0,1]=4 308 B8R1.8 CCCC1=NCCO1 5790AL [0,1,0,1,0,0|0,0,1]=3 309 B8R1.8 CNCC1=CC=CO1 7008AC [0,1,0,1,0,0|0,0,2]=4 310 B8R1.8 CNCC1=CC=NO1 4172AJ [0,1,0,1,0,0|1,0,1]=4 311 B8R1.8 CNCC1OCCO1 1363AQ [0,1,0,1,0,0|1,0,1]=4 312 B8R1.8 COC[C@@H]1CCNC1 8987AH [0,1,0,1,0,0|1,0,1]=4 313 B8R1.8 COC[C@H]1CCNC1 9152AH [0,1,0,1,0,0|1,0,1]=4 314 B8R1.8 N#CCC1=CCCC1 4828AL [0,1,0,1,0,0|1,0,1]=4 315 B8R1.8 NCCC1CCCO1 4604AF [0,1,0,1,0,0|0,0,2]=4 316 B8R1.8 OCCC1=CON=C1 4140AC [0,1,0,1,0,0|1,0,1]=4 317 B8R1.8 OCCC1CCCC1 1930AC [0,1,0,1,0,0|0,0,2]=4 318 B8R1.8 OCCC1CCNC1 1286AJ [0,1,0,1,0,0|0,0,2]=4 319 B8R1.8 OCCN1C=CC=C1 4278AL [0,1,0,1,0,0|0,0,2]=4 320 B8R1.8 OCCN1CCC=N1 5780AE [0,1,0,1,0,0|1,0,0]=3 321 B8R1.8 OCCN1CCCC1 3251AB [0,1,0,1,0,0|0,0,2]=4 322 B8R1.11 CC1=C(CO)C=CO1 8108AB [0,1,0,1,0,0|0,0,2]=4 323 B8R1.11 CC1=C(CO)OC=C1 6906AD [0,1,0,1,0,0|0,0,2]=4 324 B8R1.11 CC1=C(CO)SC=C1 W7564 [0,1,0,1,0,0|0,0,2]=4 325 B8R1.11 CN1C=CC=C1CO 7329AB [0,1,0,1,0,0|0,0,2]=4 326 B8R1.11 C[C@H]1CNC[C@@H]1CO Z5382 [0,1,0,1,0,0|0,0,2]=4 327 B8R1.11 NC1CCCC1CO 6199AB [0,1,0,1,0,0|0,0,2]=4 328 B8R1.11 O=C1CCCN1CO 7398AF [0,1,0,1,0,0|1,0,1]=4 329 B8R1.22 BrC1=CCCCCC1 V3936 [0,1,0,1,0,0|1,0,0]=3 330 B8R1.22 O=C1CCNCCN1 W5590 [0,1,0,1,0,0|2,0,0]=4 331 B8R1.22 O=C1CCSCCN1 9235AD [0,1,0,1,0,0|1,1,0]=4 332 B8R1.22 OC1CCCNCC1 V5726 [0,1,0,1,0,0|0,0,2]=4 333 B8R1.22 OC1CCCNCC1 X9141 [0,1,0,1,0,0|0,0,2]=4 334 B8R1.22 O[C@@H]1CNCCOC1 8939AH [0,1,0,1,0,0|1,0,1]=4 335 B8R1.49 C1=CCCC=CCC1 3897AA [0,1,0,1,0,0|1,0,0]=3 336 B8R1.49 C1=CCCC=CCC1 6196AH [0,1,0,1,0,0|1,0,0]=3 337 B8R1.49 C1=CCCC=CCC1 6604AH [0,1,0,1,0,0|1,0,0]=3 338 B8R1.49 C1=CCCC=CCC1 G780 [0,1,0,1,0,0|1,0,0]=3 339 B8R1.49 C1=CCCC=CCC1 K782 [0,1,0,1,0,0|1,0,0]=3 340 B8R1.49 C1=CCCCCC=C1 1372AQ [0,1,0,1,0,0|1,0,1]=4 341 B8R1.49 C1=CCCCCC=C1 7920AF [0,1,0,1,0,0|1,0,1]=4 342 B8R1.1 CC1=CC=C(CO)S1 V7056 [0,1,0,1,0,0|0,0,2]=4 343 B8R1.1 CN1C=CC(CO)=N1 Y5569 [0,1,0,1,0,0|1,0,1]=4 344 B8R1.1 CN1CC[C@H](CO)C1 9151AH [0,1,0,1,0,0|1,0,1]=4 345 B8R1.1 NCC1CCC(=O)N1 X3339 [0,1,0,1,0,0|2,0,0]=4 346 B8R1.1 N[C@@H]1C=C[C@H](CO)C1 2847AB [0,1,0,1,0,0|0,0,0]=2 347 B8R1.1 O=C1CC(CO)CN1 7314AE [0,1,0,1,0,0|1,0,1]=4 348 B8R1.1 O=C1CCC(CO)C1 W1896 [0,1,0,1,0,0|0,0,1]=3 349 B8R1.1 O=C1CCC(CO)N1 9405AB [0,1,0,1,0,0|1,0,0]=3 350 B8R1.1 O=C1NCC(CO)O1 V7609 [0,1,0,1,0,0|2,0,0]=4 351 B8R1.1 OCC1CCC(O)C1 W1894 [0,1,0,1,0,0|0,0,2]=4 352 B8R1.3 CC1CCC(=O)NC1 3753AB [0,1,0,1,0,0|2,0,0]=4 353 B8R1.3 NC1CCC(=O)NC1 7736AA [0,1,0,1,0,0|2,0,0]=4 354 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,1,0,1,0,0|2,0,0]=4 355 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,1,0,1,0,0|2,0,0]=4 356 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,1,0,1,0,0|1,0,0]=3 357 B8R1.3 O=C1CC[C@H](O)CN1 W4776 [0,1,0,1,0,0|1,0,0]=3 358 B8R1.4 CC1CC(=O)CCN1 1072AC [0,1,0,1,0,0|1,0,1]=4 359 B8R1.4 CC1CC(O)CCN1 1810AJ [0,1,0,1,0,0|1,0,1]=4 360 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,1,0,1,0,0|2,0,0]=4 361 B8R1.4 CC1CCOC(C)O1 5310AL [0,1,0,1,0,0|1,0,1]=4 362 B8R1.4 CN1CCC=C(Br)C1 1699AE [0,1,0,1,0,0|2,0,0]=4 363 B8R1.4 CN1CCC=C(Br)C1 2180AJ [0,1,0,1,0,0|2,0,0]=4 364 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [0,1,0,1,0,0|1,0,1]=4 365 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 8828AA [0,1,0,1,0,0|1,0,1]=4 366 B8R1.4 C[C@H]1CNC[C@H](C)O1 8589AH [0,1,0,1,0,0|1,0,1]=4 367 B8R1.4 NC1CCNC(=O)C1 X9664 [0,1,0,1,0,0|2,0,0]=4 368 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [0,1,0,1,0,0|0,0,2]=4 369 B8R1.7 CC(C)C1=NCCO1 5673AL [0,1,0,1,0,0|1,0,0]=3 370 B8R1.7 CC(O)C1=CC=CO1 0311AQ [0,1,0,1,0,0|0,0,2]=4 371 B8R1.7 O=C(O)C1C=CCO1 1916AL [0,1,0,1,0,0|1,0,1]=4 372 B8R1.72 CC1(C)CNCCO1 5391AD [0,1,0,1,0,0|1,0,1]=4 373 B8R1.37 CCOC(=O)[C@H]1CO1 3304AL [0,1,0,1,0,0|1,0,0]=3 374 B8R2.34 C12CCC(CC1)O2 6894AL [0,0,0,2,0,0|0,0,2]=4 375 B8R2.34 C1=CC2CC1CN2 0247AC [0,0,0,2,0,0|1,0,0]=3 376 B8R2.18 OC1CC2CC2C1 4817AC [0,0,0,2,0,0|0,0,2]=4 377 B8R2.23 C1NCC2CC1O2 3619AJ [0,0,0,2,0,0|1,0,1]=4 378 B8R2.25 C1=CC2OC2CC1 0136AQ [0,0,0,2,0,0|0,0,0]=2