0 B6R1.1 C1CCNNC1 6958AB [0,0,0,0,0,0|2,0,0]=2 1 B6R1.1 C1CCONC1 1721AE [0,0,0,0,0,0|2,0,0]=2 2 B6R1.1 C1COCCO1 7285AL [0,0,0,0,0,0|1,0,0]=1 3 B6R1.1 C1CSCCN1 8883AB [0,0,0,0,0,0|0,1,0]=1 4 B7R1.3 BrC1CCCOC1 X9769 [0,1,0,0,0,0|1,0,0]=2 5 B7R1.3 CC1=CCCNC1 V9748 [0,1,0,0,0,0|1,0,1]=3 6 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,0,0,0|2,0,1]=4 7 B7R1.3 CC1CCCCN1 7117AB [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 CC1CCOCO1 8171AJ [0,1,0,0,0,0|2,0,0]=3 9 B7R1.3 C[C@H]1CNCCO1 W8218 [0,1,0,0,0,0|0,0,0]=1 10 B7R1.3 ClC1=CCCCC1 5746AC [0,1,0,0,0,0|2,0,1]=4 11 B7R1.3 ClN1CCOCC1 X5216 [0,1,0,0,0,0|0,0,0]=1 12 B7R1.3 FC1CCCCC1 1850AE [0,1,0,0,0,0|2,0,0]=3 13 B7R1.3 IC1CCNCC1 Z9919 [0,1,0,0,0,0|1,0,0]=2 14 B7R1.3 IC1CCOCC1 W4893 [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 NC1CC=CCC1 3966AJ [0,1,0,0,0,0|2,0,1]=4 16 B7R1.3 NC1CCCOC1 X9447 [0,1,0,0,0,0|1,0,0]=2 17 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,1,0,0,0,0|1,0,0]=2 18 B7R1.3 O=C1C=CCCO1 X2978 [0,1,0,0,0,0|1,0,2]=4 19 B7R1.3 O=C1C=CCOC1 6867AC [0,1,0,0,0,0|1,0,2]=4 20 B7R1.3 O=C1NCCCO1 V6397 [0,1,0,0,0,0|2,0,1]=4 21 B7R1.3 S=C1NCCCS1 5563AE [0,1,0,0,0,0|2,0,1]=4 22 B5R0.2 C=CCCCN 7616AH [0,0,1,0,0,0|1,0,2]=4 23 B5R0.2 C=CCCON 2267AA [0,0,1,0,0,0|2,0,1]=4 24 B5R0.2 C=CCOCC 5601AE [0,0,1,0,0,0|1,0,1]=3 25 B5R0.2 CC#CCCO 6150AL [0,0,1,0,0,0|1,0,1]=3 26 B5R0.2 CCCCOC 7303AL [0,0,1,0,0,0|1,0,0]=2 27 B5R0.2 CCCNCC 8554AL [0,0,1,0,0,0|1,0,0]=2 28 B5R0.2 CCCOCC 7892AL [0,0,1,0,0,0|1,0,0]=2 29 B5R0.2 CCCOCCl 4494AB [0,0,1,0,0,0|2,0,0]=3 30 B5R0.2 CCCSCC R576 [0,0,1,0,0,0|1,1,0]=3 31 B5R0.2 CCOCCCl 7903AJ [0,0,1,0,0,0|1,0,0]=2 32 B5R0.2 CCOCCN 3903AD [0,0,1,0,0,0|0,0,0]=1 33 B5R0.2 CC[Se][Se]CC 7651AL [0,0,1,0,0,0|2,1,0]=4 34 B5R0.2 CNCCSC 7146AJ [0,0,1,0,0,0|0,1,0]=2 35 B5R0.2 COCCCI 9890AH [0,0,1,0,0,0|2,0,0]=3 36 B5R0.2 COCCON Y9404 [0,0,1,0,0,0|2,0,0]=3 37 B5R0.2 COCN=C=S 6701AD [0,0,1,0,0,0|3,0,0]=4 38 B5R0.2 ClCCOCCl 7247AA [0,0,1,0,0,0|2,0,0]=3 39 B5R0.2 NCC#CCCl 5604AH [0,0,1,0,0,0|2,0,1]=4 40 B5R0.2 NC\C=C/CN Z2171 [0,0,1,0,0,0|2,0,1]=4 41 B5R0.2 OCC#CCCl 0022AQ [0,0,1,0,0,0|2,0,1]=4 42 B5R0.2 [C-]#[N+]CCOC V5938 [0,0,1,0,0,0|0,0,2]=3 43 B5R0.2 [N-]=[N+]=NCCN 9854AL [0,0,1,0,0,0|3,0,0]=4 44 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,1,0,0|1,0,0]=2 45 B7R2.13 C1NCC2CC12 2805AB [0,0,0,1,0,0|1,0,0]=2 46 B5R1.1 C1=NNCC1 5793AL [0,0,0,0,1,0|1,0,1]=3 47 B5R1.1 C1CNNC1 Z5309 [0,0,0,0,1,0|1,0,0]=2 48 B5R1.1 C1CSCS1 0673AQ [0,0,0,0,1,0|1,1,0]=3 49 B7R1.24 C1=CCCCCC1 7508AL [0,0,0,0,0,1|2,0,0]=3 50 B4R0.2 CCCCF 8004AD [1,0,1,0,0,0|1,0,0]=3 51 B4R0.2 CCCCN 7306AL [1,0,1,0,0,0|0,0,0]=2 52 B4R0.2 CCCNN 4415AE [1,0,1,0,0,0|1,0,0]=3 53 B4R0.2 CCCOC 4896AL [1,0,1,0,0,0|0,0,0]=2 54 B4R0.2 CCCSC U677 [1,0,1,0,0,0|0,1,0]=3 55 B4R0.2 CCNCC 7650AL [1,0,1,0,0,0|0,0,0]=2 56 B4R0.2 CNCC#N 8258AL [1,0,1,0,0,0|1,0,1]=4 57 B4R0.2 CSCCCl 7809AB [1,0,1,0,0,0|1,1,0]=4 58 B4R0.2 C\C=C/CC 7428AL [1,0,1,0,0,0|1,0,1]=4 59 B4R0.2 NCCON 7871AA [1,0,1,0,0,0|1,0,0]=3 60 B4R0.2 NCCON W5869 [1,0,1,0,0,0|1,0,0]=3 61 B6R0.1 CCC(O)CNN 2943AE [0,1,1,0,0,0|2,0,0]=4 62 B6R0.1 CCCC(Br)CC 3975AB [0,1,1,0,0,0|2,0,0]=4 63 B6R0.1 CCCC(C)CC 7810AF [0,1,1,0,0,0|2,0,0]=4 64 B6R0.1 CCCC(C)CO 1207AA [0,1,1,0,0,0|1,0,0]=3 65 B6R0.1 CCCC(O)CC 7557AF [0,1,1,0,0,0|2,0,0]=4 66 B6R0.1 CCNC(C)CC 7145AD [0,1,1,0,0,0|1,0,0]=3 67 B6R0.1 CCOC(=N)CC 8352AC [0,1,1,0,0,0|1,0,1]=4 68 B6R0.1 CCOC(C)CN 0082AD [0,1,1,0,0,0|0,0,0]=2 69 B6R0.1 CCOC(C)CN Y4465 [0,1,1,0,0,0|0,0,0]=2 70 B6R0.1 CC[C@@H](N)COC 8948AH [0,1,1,0,0,0|1,0,0]=3 71 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,1,0,0,0|1,0,0]=3 72 B6R0.1 CC[C@H](N)COC 9106AH [0,1,1,0,0,0|1,0,0]=3 73 B6R0.1 CNC(=O)CCN 4757AE [0,1,1,0,0,0|2,0,0]=4 74 B6R0.1 CNC(=O)CCO 8079AE [0,1,1,0,0,0|2,0,0]=4 75 B6R0.1 CNCC(C)OC 1691AF [0,1,1,0,0,0|0,0,0]=2 76 B6R0.1 COCC(=O)OC J70196 [0,1,1,0,0,0|1,0,1]=4 77 B6R0.1 C[C@H](CO)CCO 1249AL [0,1,1,0,0,0|2,0,0]=4 78 B6R0.4 C=C(C)CCCC 5699AL [0,1,1,0,0,0|2,0,0]=4 79 B6R0.4 C=C(C)CCCO 2774AL [0,1,1,0,0,0|1,0,1]=4 80 B6R0.4 CC(=O)NCCCl W8163 [0,1,1,0,0,0|1,0,1]=4 81 B6R0.4 CC(=O)OCCCl 7237AF [0,1,1,0,0,0|1,0,1]=4 82 B6R0.4 CC(=O)SCCN 5884AD [0,1,1,0,0,0|0,1,1]=4 83 B6R0.4 CC(C)CCCCl 6814AE [0,1,1,0,0,0|2,0,0]=4 84 B6R0.4 CC(C)CCCN 7575AF [0,1,1,0,0,0|1,0,0]=3 85 B6R0.4 CC(C)NCC#N Y7768 [0,1,1,0,0,0|1,0,1]=4 86 B6R0.4 CC(C)NCCCl 9576AB [0,1,1,0,0,0|1,0,0]=3 87 B6R0.4 CC(C)OCCN 2664AC [0,1,1,0,0,0|0,0,0]=2 88 B6R0.4 CCCCC(C)C 5734AL [0,1,1,0,0,0|2,0,0]=4 89 B6R0.4 CCCCC(C)Cl 5578AL [0,1,1,0,0,0|2,0,0]=4 90 B6R0.4 CCCCC(C)O 9467AB [0,1,1,0,0,0|1,0,0]=3 91 B6R0.4 CCCNC(C)C 7560AH [0,1,1,0,0,0|1,0,0]=3 92 B6R0.4 CCCSC(C)C 8111AL [0,1,1,0,0,0|1,1,0]=4 93 B6R0.4 CCNCC(=O)O X5133 [0,1,1,0,0,0|0,0,1]=3 94 B6R0.4 CCNCC(C)O 2626AE [0,1,1,0,0,0|0,0,0]=2 95 B6R0.4 CN(C)CCNN 5929AE [0,1,1,0,0,0|2,0,0]=4 96 B6R0.4 CNCCC(=O)O 5026AF [0,1,1,0,0,0|2,0,0]=4 97 B6R0.4 CNCCN(C)C J70105 [0,1,1,0,0,0|1,0,0]=3 98 B6R0.4 COCCC(C)=O B939 [0,1,1,0,0,0|1,0,0]=3 99 B6R0.4 N=C(N)NCCO 7232AE [0,1,1,0,0,0|1,0,1]=4 100 B6R0.6 C=CCOCCCl 1941AJ [0,1,1,0,0,0|1,0,1]=4 101 B6R0.6 C=COCCCN 0206AC [0,1,1,0,0,0|0,0,2]=4 102 B6R0.6 C=COCCON Y6202 [0,1,1,0,0,0|0,0,2]=4 103 B6R0.6 CC#CCCCC 5638AL [0,1,1,0,0,0|2,0,0]=4 104 B6R0.6 CCCCCC#N 8042AL [0,1,1,0,0,0|1,0,1]=4 105 B6R0.6 CCCCCSC 7567AF [0,1,1,0,0,0|1,1,0]=4 106 B6R0.6 CCCCOCC 7302AL [0,1,1,0,0,0|1,0,0]=3 107 B6R0.6 CCCCOCCl S779 [0,1,1,0,0,0|1,0,0]=3 108 B6R0.6 CCCOCCC 7558AF [0,1,1,0,0,0|1,0,0]=3 109 B6R0.6 CCCOCCN 5789AL [0,1,1,0,0,0|0,0,0]=2 110 B6R0.6 CCCSCCC 7569AF [0,1,1,0,0,0|1,1,0]=4 111 B6R0.6 CCC\C=C/CO 7423AL [0,1,1,0,0,0|1,0,1]=4 112 B6R0.6 CCNCCCN 8239AC [0,1,1,0,0,0|1,0,0]=3 113 B6R0.6 CCNCCCO 5711AJ [0,1,1,0,0,0|0,0,0]=2 114 B6R0.6 CCOCCCO D587 [0,1,1,0,0,0|1,0,0]=3 115 B6R0.6 CCOCCNC 5385AD [0,1,1,0,0,0|0,0,0]=2 116 B6R0.6 CC\C=C\CCC 9219AL [0,1,1,0,0,0|2,0,0]=4 117 B6R0.6 COCCCCN AMTGC536 [0,1,1,0,0,0|1,0,0]=3 118 B6R0.6 COCCN=[N+]=[N-] AMTGC680 [0,1,1,0,0,0|1,0,1]=4 119 B6R0.6 C\C=C/CCCC 7422AL [0,1,1,0,0,0|2,0,0]=4 120 B6R0.6 C\C=C\CCCC 7780AF [0,1,1,0,0,0|2,0,0]=4 121 B6R0.6 NCCNCCCl 8169AB [0,1,1,0,0,0|1,0,0]=3 122 B6R0.6 NCCOCCN 1537AL [0,1,1,0,0,0|0,0,0]=2 123 B6R0.6 NCCSCCN K553 [0,1,1,0,0,0|0,1,0]=3 124 B6R0.6 NCCSCCO 8189AD [0,1,1,0,0,0|0,1,0]=3 125 B6R0.6 O=CCCCCO Z3600 [0,1,1,0,0,0|1,0,1]=4 126 B6R0.6 [C-]#[N+]CCCOC Y2595 [0,1,1,0,0,0|0,0,2]=4 127 B6R1.2 BrC1=CCCC1 Z8081 [0,1,0,0,1,0|1,0,1]=4 128 B6R1.2 CC1=CCCC1 9313AJ [0,1,0,0,1,0|1,0,1]=4 129 B6R1.2 CC1CCCN1 0591AQ [0,1,0,0,1,0|0,0,0]=2 130 B6R1.2 CC1CCCS1 7972AJ [0,1,0,0,1,0|0,1,0]=3 131 B6R1.2 CC1CCNC1 X9461 [0,1,0,0,1,0|0,0,0]=2 132 B6R1.2 CC1CCOC1 6124AL [0,1,0,0,1,0|0,0,0]=2 133 B6R1.2 CC1COCO1 6593AL [0,1,0,0,1,0|1,0,0]=3 134 B6R1.2 CC1OCCO1 7260AF [0,1,0,0,1,0|1,0,0]=3 135 B6R1.2 C[C@@H]1CCNC1 1585AB [0,1,0,0,1,0|0,0,0]=2 136 B6R1.2 C[C@H]1CCNC1 W4034 [0,1,0,0,1,0|0,0,0]=2 137 B6R1.2 ClC1=CCCC1 9304AJ [0,1,0,0,1,0|1,0,1]=4 138 B6R1.2 FC1CCCC1 7941AL [0,1,0,0,1,0|1,0,0]=3 139 B6R1.2 FC1CCNC1 X9172 [0,1,0,0,1,0|0,0,0]=2 140 B6R1.2 F[C@H]1CCNC1 9169AH [0,1,0,0,1,0|0,0,0]=2 141 B6R1.2 NC1=NCCC1 3788AC [0,1,0,0,1,0|0,0,2]=4 142 B6R1.2 NC1CC=CC1 W9476 [0,1,0,0,1,0|1,0,1]=4 143 B6R1.2 NC1CCOC1 W9158 [0,1,0,0,1,0|0,0,0]=2 144 B6R1.2 NN1CCCC1 8436AA [0,1,0,0,1,0|0,0,0]=2 145 B6R1.2 N[C@H]1CCNC1 N118 [0,1,0,0,1,0|0,0,0]=2 146 B6R1.2 O[C@@H]1CCSC1 1245AL [0,1,0,0,1,0|0,1,0]=3 147 B6R1.2 O[C@H]1CCSC1 Y1948 [0,1,0,0,1,0|0,1,0]=3 148 B6R1.2 S=C1CCCN1 7821AD [0,1,0,0,1,0|0,0,1]=3 149 B6R1.2 S=C1NCCO1 1519AL [0,1,0,0,1,0|0,0,1]=3 150 B8R1.22 CC1CCNCCN1 W4646 [0,1,0,0,0,1|1,0,0]=3 151 B8R1.22 CC1CNCCCN1 0125AC [0,1,0,0,0,1|1,0,0]=3 152 B8R1.22 ClC1CCCCCC1 1856AB [0,1,0,0,0,1|2,0,0]=4 153 B8R1.22 NC1CCCCNC1 3820AJ [0,1,0,0,0,1|1,0,0]=3 154 B8R1.22 NN1CCCCCC1 4752AL [0,1,0,0,0,1|1,0,0]=3 155 B8R1.22 N[C@H]1CCCCNC1 1604AA [0,1,0,0,0,1|1,0,0]=3 156 B8R1.22 O=C1CCCCNC1 0003AC [0,1,0,0,0,1|1,0,0]=3 157 B8R1.22 O=C1CCCNCC1 X2001 [0,1,0,0,0,1|1,0,0]=3 158 B8R1.22 O=C1CCNCCN1 W5590 [0,1,0,0,0,1|1,0,0]=3 159 B8R1.22 O=C1CCOCCO1 4654AL [0,1,0,0,0,1|1,0,0]=3 160 B8R1.22 O=C1CCSCCN1 9235AD [0,1,0,0,0,1|0,1,0]=3 161 B8R1.22 O=C1CNCCCN1 5019AJ [0,1,0,0,0,1|1,0,1]=4 162 B8R1.22 OC1CNCCOC1 9639AH [0,1,0,0,0,1|0,0,0]=2 163 B8R1.22 O[C@@H]1CNCCOC1 8939AH [0,1,0,0,0,1|0,0,0]=2 164 B8R1.2 BrCC1CCCCN1 4115AB [0,2,0,0,0,0|1,0,0]=3 165 B8R1.2 BrCC1CCCOC1 2659AA [0,2,0,0,0,0|1,0,0]=3 166 B8R1.2 BrCC1CCNCC1 X0255 [0,2,0,0,0,0|1,0,0]=3 167 B8R1.2 C#CC1CCOCC1 0859AD [0,2,0,0,0,0|1,0,0]=3 168 B8R1.2 C=CC1CCCCC1 Z3463 [0,2,0,0,0,0|2,0,0]=4 169 B8R1.2 CCC1CCCCC1 8567AA [0,2,0,0,0,0|2,0,0]=4 170 B8R1.2 CCC1CCCNC1 6423AA [0,2,0,0,0,0|1,0,0]=3 171 B8R1.2 CCC1CNCCN1 Y7494 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.2 CC[C@@H]1CCCCN1 0072AQ [0,2,0,0,0,0|1,0,0]=3 173 B8R1.2 CC[C@@H]1CNCCN1 9227AJ [0,2,0,0,0,0|1,0,0]=3 174 B8R1.2 CC[C@H]1CNCCN1 5419AA [0,2,0,0,0,0|1,0,0]=3 175 B8R1.2 CC[C@H]1COCCN1 1076AB [0,2,0,0,0,0|0,0,0]=2 176 B8R1.2 CNC1CCCNC1 7535AA [0,2,0,0,0,0|1,0,0]=3 177 B8R1.2 CNC1CCCOC1 2031AJ [0,2,0,0,0,0|1,0,0]=3 178 B8R1.2 CNC1CCCOC1 4420AJ [0,2,0,0,0,0|1,0,0]=3 179 B8R1.2 COC1CCCCC1 7515AL [0,2,0,0,0,0|2,0,0]=4 180 B8R1.2 CSC1CCNCC1 W4370 [0,2,0,0,0,0|1,0,0]=3 181 B8R1.2 ClCC1COCCO1 7155AD [0,2,0,0,0,0|1,0,0]=3 182 B8R1.2 FCC1CCCCN1 1886AF [0,2,0,0,0,0|1,0,0]=3 183 B8R1.2 FCC1CCNCC1 9762AE [0,2,0,0,0,0|1,0,0]=3 184 B8R1.2 ICC1CCNCC1 6189AJ [0,2,0,0,0,0|1,0,0]=3 185 B8R1.2 N#CC1CCCCN1 W6222 [0,2,0,0,0,0|1,0,0]=3 186 B8R1.2 N#CC1CCCNC1 W8248 [0,2,0,0,0,0|1,0,0]=3 187 B8R1.2 N#CC1CCSCC1 0101AB [0,2,0,0,0,0|1,1,0]=4 188 B8R1.2 N#CC1CNCCO1 3567AA [0,2,0,0,0,0|0,0,0]=2 189 B8R1.2 N#C[C@@H]1CNCCN1 3771AA [0,2,0,0,0,0|1,0,0]=3 190 B8R1.2 NCC1CCCCN1 8197AB [0,2,0,0,0,0|1,0,0]=3 191 B8R1.2 NCC1CCCCO1 Y9814 [0,2,0,0,0,0|1,0,0]=3 192 B8R1.2 NCC1CNCCO1 Z7761 [0,2,0,0,0,0|0,0,0]=2 193 B8R1.2 NCC1COCCO1 4083AC [0,2,0,0,0,0|1,0,0]=3 194 B8R1.2 NC[C@H]1COCCO1 9210AH [0,2,0,0,0,0|1,0,0]=3 195 B8R1.2 NNC1CCNCC1 2019AE [0,2,0,0,0,0|1,0,0]=3 196 B8R1.2 O=CC1=CCCOC1 Z4103 [0,2,0,0,0,0|1,0,1]=4 197 B8R1.2 O=CC1CCCCN1 X3865 [0,2,0,0,0,0|1,0,0]=3 198 B8R1.2 O=CC1CCCNC1 4398AB [0,2,0,0,0,0|1,0,0]=3 199 B8R1.2 O=CC1CCNCC1 0201AP [0,2,0,0,0,0|1,0,0]=3 200 B8R1.2 O=NN1CCOCC1 8616AL [0,2,0,0,0,0|0,0,0]=2 201 B8R1.2 OCC1CCCNC1 W3153 [0,2,0,0,0,0|1,0,0]=3 202 B8R1.2 OCC1CCNCC1 J70061 [0,2,0,0,0,0|1,0,0]=3 203 B8R1.2 OCC1CCOCO1 6434AB [0,2,0,0,0,0|2,0,0]=4 204 B8R1.2 OCC1CCSCC1 Y6767 [0,2,0,0,0,0|1,1,0]=4 205 B8R1.2 OCC1CNCCN1 4453AJ [0,2,0,0,0,0|1,0,0]=3 206 B8R1.2 OC[C@@H]1CNCCN1 W3264 [0,2,0,0,0,0|1,0,0]=3 207 B8R1.2 OC[C@@H]1COCCN1 X9480 [0,2,0,0,0,0|0,0,0]=2 208 B8R1.2 OC[C@H]1CNCCO1 W3408 [0,2,0,0,0,0|0,0,0]=2 209 B8R1.2 OC[C@H]1COCCO1 8565AH [0,2,0,0,0,0|1,0,0]=3 210 B8R1.3 CC1CCC(C)CC1 7953AF [0,2,0,0,0,0|2,0,0]=4 211 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,2,0,0,0,0|0,0,1]=3 212 B8R1.3 CN1CCC(=O)CC1 A394 [0,2,0,0,0,0|1,0,0]=3 213 B8R1.3 CN1CCC(Br)CC1 7812AB [0,2,0,0,0,0|1,0,0]=3 214 B8R1.3 CN1CCC(Br)CC1 N805 [0,2,0,0,0,0|1,0,0]=3 215 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [0,2,0,0,0,0|2,0,0]=4 216 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [0,2,0,0,0,0|2,0,0]=4 217 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [0,2,0,0,0,0|2,0,0]=4 218 B8R1.3 Cl[C@H]1CC[C@H](Cl)CC1 9194AL [0,2,0,0,0,0|2,0,0]=4 219 B8R1.3 NC1CCC(=O)NC1 7736AA [0,2,0,0,0,0|1,0,1]=4 220 B8R1.3 NC1CCC(O)CC1 W7862 [0,2,0,0,0,0|2,0,0]=4 221 B8R1.3 NN1CCC(O)CC1 2414AC [0,2,0,0,0,0|1,0,0]=3 222 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,2,0,0,0,0|1,0,1]=4 223 B8R1.3 O=C1CCS(=O)CC1 5611AD [0,2,0,0,0,0|1,1,0]=4 224 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,2,0,0,0,0|1,0,1]=4 225 B8R1.3 O[C@H]1CC[C@@H](O)CC1 U023 [0,2,0,0,0,0|2,0,0]=4 226 B8R1.4 CC1CC(=O)CCN1 1072AC [0,2,0,0,0,0|1,0,0]=3 227 B8R1.4 CC1CC(=O)CCN1 6568AA [0,2,0,0,0,0|1,0,0]=3 228 B8R1.4 CC1CC(N)CCO1 1818AJ [0,2,0,0,0,0|1,0,0]=3 229 B8R1.4 CC1CC(O)CCN1 1810AJ [0,2,0,0,0,0|1,0,0]=3 230 B8R1.4 CC1CCCC(N)C1 W7860 [0,2,0,0,0,0|2,0,0]=4 231 B8R1.4 CC1CCOC(C)O1 5310AL [0,2,0,0,0,0|2,0,0]=4 232 B8R1.4 CC1CN(C)CCN1 Z2448 [0,2,0,0,0,0|1,0,0]=3 233 B8R1.4 CC1CNCC(=O)N1 3610AJ [0,2,0,0,0,0|1,0,1]=4 234 B8R1.4 CC1COCC(=O)N1 V7159 [0,2,0,0,0,0|0,0,1]=3 235 B8R1.4 CC1COCC(C)N1 4497AA [0,2,0,0,0,0|0,0,0]=2 236 B8R1.4 CN1CCC=C(Br)C1 2180AJ [0,2,0,0,0,0|1,0,1]=4 237 B8R1.4 CN1CCCC(=O)C1 9933AH [0,2,0,0,0,0|1,0,1]=4 238 B8R1.4 CN1CCCC(=O)C1 9934AH [0,2,0,0,0,0|1,0,1]=4 239 B8R1.4 CN1CCCC(=O)C1 W6919 [0,2,0,0,0,0|1,0,1]=4 240 B8R1.4 CN1CCC[C@@H](N)C1 8990AH [0,2,0,0,0,0|1,0,0]=3 241 B8R1.4 CN1CCC[C@@H](O)C1 Z2109 [0,2,0,0,0,0|1,0,0]=3 242 B8R1.4 CN1CCC[C@H](N)C1 9156AH [0,2,0,0,0,0|1,0,0]=3 243 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [0,2,0,0,0,0|1,0,0]=3 244 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [0,2,0,0,0,0|2,0,0]=4 245 B8R1.4 C[C@@H]1CN(C)CCN1 8938AH [0,2,0,0,0,0|1,0,0]=3 246 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,2,0,0,0,0|1,0,1]=4 247 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 1079AL [0,2,0,0,0,0|1,0,0]=3 248 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 8828AA [0,2,0,0,0,0|0,0,0]=2 249 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [0,2,0,0,0,0|2,0,0]=4 250 B8R1.4 C[C@H]1COC[C@@H](C)N1 3934AJ [0,2,0,0,0,0|0,0,0]=2 251 B8R1.4 C[C@H]1COC[C@@H](C)N1 6090AC [0,2,0,0,0,0|0,0,0]=2 252 B8R1.4 C[C@H]1COC[C@H](C)N1 7763AA [0,2,0,0,0,0|0,0,0]=2 253 B8R1.4 N[C@H]1CCC[C@@H](N)C1 7409AL [0,2,0,0,0,0|2,0,0]=4 254 B8R1.4 N[C@H]1CCC[C@H](N)C1 9190AL [0,2,0,0,0,0|2,0,0]=4 255 B8R1.4 O=C1COCC(=O)N1 7446AH [0,2,0,0,0,0|0,0,2]=4 256 B8R1.4 O=C1C[C@@H](O)CCN1 W6428 [0,2,0,0,0,0|1,0,1]=4 257 B8R1.4 O[C@@H]1CCC[C@@H](O)C1 9191AL [0,2,0,0,0,0|2,0,0]=4 258 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [0,2,0,0,0,0|2,0,0]=4 259 B8R1.5 CC1CCCCC1C 4454AL [0,2,0,0,0,0|2,0,0]=4 260 B8R1.5 CC1CCCNC1C 7615AB [0,2,0,0,0,0|1,0,0]=3 261 B8R1.5 CC1CCCOC1=O 3885AL [0,2,0,0,0,0|1,0,1]=4 262 B8R1.5 CC1CCNCC1O 2895AJ [0,2,0,0,0,0|1,0,0]=3 263 B8R1.5 CC1CNCCC1O 3930AB [0,2,0,0,0,0|1,0,0]=3 264 B8R1.5 CC1COCCC1=O Z3955 [0,2,0,0,0,0|1,0,0]=3 265 B8R1.5 CC1COCCC1N 2364AJ [0,2,0,0,0,0|1,0,0]=3 266 B8R1.5 CC1COCCC1O 2365AJ [0,2,0,0,0,0|1,0,0]=3 267 B8R1.5 CC1OCCNC1=O 5590AJ [0,2,0,0,0,0|0,0,1]=3 268 B8R1.5 CN1CCNCC1=O 1842AA [0,2,0,0,0,0|1,0,1]=4 269 B8R1.5 CN1CCNCC1=O 7723AJ [0,2,0,0,0,0|1,0,1]=4 270 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,2,0,0,0,0|2,0,0]=4 271 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [0,2,0,0,0,0|1,0,0]=3 272 B8R1.5 C[C@@H]1CNCCN1C 8539AH [0,2,0,0,0,0|1,0,0]=3 273 B8R1.5 C[C@@H]1CNCCN1C 8540AH [0,2,0,0,0,0|1,0,0]=3 274 B8R1.5 C[C@@H]1NCCNC1=O 2295AC [0,2,0,0,0,0|1,0,1]=4 275 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [0,2,0,0,0,0|2,0,0]=4 276 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [0,2,0,0,0,0|2,0,0]=4 277 B8R1.5 C[C@H]1CNCCN1C 9092AH [0,2,0,0,0,0|1,0,0]=3 278 B8R1.5 C[C@H]1NCCNC1=O 5574AC [0,2,0,0,0,0|1,0,1]=4 279 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl 9197AL [0,2,0,0,0,0|1,0,0]=3 280 B8R1.5 FC1CCCCC1Br 7512AE [0,2,0,0,0,0|2,0,0]=4 281 B8R1.5 NC1CCCCC1=O 0726AC [0,2,0,0,0,0|2,0,0]=4 282 B8R1.5 NC1CCNCC1O 0385AQ [0,2,0,0,0,0|1,0,0]=3 283 B8R1.5 NC1COCCC1O Y6179 [0,2,0,0,0,0|1,0,0]=3 284 B8R1.5 NN1CCCCC1=O 3513AB [0,2,0,0,0,0|1,0,1]=4 285 B8R1.5 NN1CCCCC1=O Z4590 [0,2,0,0,0,0|1,0,1]=4 286 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,2,0,0,0,0|1,0,1]=4 287 B8R1.5 N[C@H]1CCCC[C@H]1N 0141AA [0,2,0,0,0,0|2,0,0]=4 288 B8R1.5 N[C@H]1CCCC[C@H]1O 0705AC [0,2,0,0,0,0|2,0,0]=4 289 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,2,0,0,0,0|1,0,1]=4 290 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,2,0,0,0,0|2,0,0]=4 291 B8R1.5 O=C1NCCCC1Br 4146AB [0,2,0,0,0,0|1,0,1]=4 292 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [0,2,0,0,0,0|2,0,0]=4 293 B8R1.5 O[C@H]1CCNC[C@@H]1O 5210AB [0,2,0,0,0,0|1,0,0]=3 294 B8R1.5 [NH-]C1CCCCC1[NH-] Z1842 [0,2,0,0,0,0|2,0,0]=4 295 B8R1.72 CC1(C)CCCCN1 1328AJ [0,2,0,0,0,0|1,0,0]=3 296 B8R1.72 CC1(C)COCCN1 2066AJ [0,2,0,0,0,0|0,0,0]=2 297 B8R1.72 CC1(N)CCCCC1 X6756 [0,2,0,0,0,0|2,0,0]=4 298 B8R1.72 CC1(N)CCCOC1 2360AJ [0,2,0,0,0,0|1,0,0]=3 299 B8R1.72 CC1(N)CCNCC1 6612AB [0,2,0,0,0,0|1,0,0]=3 300 B8R1.72 CC1(N)CCOCC1 0694AC [0,2,0,0,0,0|1,0,0]=3 301 B8R1.72 N=S1(=O)CCOCC1 X2152 [0,2,0,0,0,0|1,0,0]=3 302 B6R1.3 CCCC1CO1 4468AL [0,0,1,1,0,0|1,0,0]=3 303 B6R1.3 CCNC1CC1 2347AB [0,0,1,1,0,0|1,0,0]=3 304 B6R1.3 CCNC1CC1 3977AJ [0,0,1,1,0,0|1,0,0]=3 305 B6R1.3 CCNC1CC1 4401AJ [0,0,1,1,0,0|1,0,0]=3 306 B6R1.3 COCC1CO1 1812AL [0,0,1,1,0,0|1,0,0]=3 307 B6R1.3 COC[C@@H]1CO1 9238AJ [0,0,1,1,0,0|1,0,0]=3 308 B6R1.3 COC[C@H]1CO1 9221AJ [0,0,1,1,0,0|1,0,0]=3 309 B6R1.3 ICCC1CC1 8514AH [0,0,1,1,0,0|2,0,0]=4 310 B6R1.3 OCCC1CC1 8510AD [0,0,1,1,0,0|1,0,0]=3 311 B6R1.6 BrCC1CCO1 6025AC [0,0,1,1,0,0|1,0,0]=3 312 B6R1.6 CNC1CCC1 4414AJ [0,0,1,1,0,0|1,0,0]=3 313 B6R1.6 CNC1CCC1 X2043 [0,0,1,1,0,0|1,0,0]=3 314 B6R1.6 CNC1CNC1 1896AB [0,0,1,1,0,0|1,0,0]=3 315 B6R1.6 COC1CNC1 Y5064 [0,0,1,1,0,0|0,0,0]=2 316 B6R1.6 ICC1CCO1 1038AD [0,0,1,1,0,0|1,0,0]=3 317 B6R1.6 NCC1CCN1 0858AA [0,0,1,1,0,0|1,0,0]=3 318 B6R1.6 NCC1CCN1 6521AH [0,0,1,1,0,0|1,0,0]=3 319 B6R1.6 NCC1CCO1 V8594 [0,0,1,1,0,0|0,0,0]=2 320 B6R1.6 NCC1CNC1 2747AA [0,0,1,1,0,0|2,0,0]=4 321 B6R1.6 NCC1COC1 4443AJ [0,0,1,1,0,0|2,0,0]=4 322 B6R1.6 NCC1COC1 W7450 [0,0,1,1,0,0|2,0,0]=4 323 B6R1.6 NNC1CCC1 3961AJ [0,0,1,1,0,0|2,0,0]=4 324 B6R1.6 O=CC1COC1 5573AA [0,0,1,1,0,0|2,0,0]=4 325 B6R1.6 OCC1CCN1 Z3841 [0,0,1,1,0,0|0,0,0]=2 326 B8R2.25 C1=CC2OC2CC1 0136AQ [0,0,0,1,0,1|1,0,1]=4 327 B8R2.18 OC1CC2CC2C1 4817AC [0,1,0,1,0,0|2,0,0]=4 328 B8R2.23 C1NCC2CC1O2 3619AJ [0,1,0,1,0,0|0,0,0]=2 329 B8R2.34 C12CCC(CC1)C2 8648AL [0,1,0,1,0,0|2,0,0]=4 330 B8R2.34 C12CCC(CC1)O2 6894AL [0,1,0,1,0,0|2,0,0]=4 331 B8R2.34 C1=CC2CC1CN2 0247AC [0,1,0,1,0,0|1,0,1]=4 332 B8R2.34 C1CC2CC1CN2 Z4541 [0,1,0,1,0,0|1,0,0]=3 333 B8R2.34 [C@@H]12CO[C@@H](CN1)C2 8386AH [0,1,0,1,0,0|0,0,0]=2 334 B4R1.1 C1CNC1 F654 [0,0,0,0,2,0|0,0,0]=2 335 B4R1.1 C1CSC1 7055AF [0,0,0,0,2,0|0,1,0]=3 336 B8R1.49 C1=CCCC=CCC1 3668AB [0,0,0,0,0,2|2,0,0]=4 337 B8R1.49 C1=CCCC=CCC1 4303AA [0,0,0,0,0,2|2,0,0]=4 338 B8R1.49 C1=CCCC=CCC1 4331AB [0,0,0,0,0,2|2,0,0]=4 339 B8R1.49 C1=CCCC=CCC1 9494AB [0,0,0,0,0,2|2,0,0]=4 340 B8R1.49 C1=CCCC=CCC1 E814 [0,0,0,0,0,2|2,0,0]=4 341 B8R1.49 C1=CCCC=CCC1 G766 [0,0,0,0,0,2|2,0,0]=4 342 B8R1.49 C1=CCCC=CCC1 G780 [0,0,0,0,0,2|2,0,0]=4 343 B8R1.49 C1=CCCC=CCC1 J92903 [0,0,0,0,0,2|2,0,0]=4 344 B8R1.49 C1=CCCC=CCC1 K782 [0,0,0,0,0,2|2,0,0]=4 345 B8R1.49 C1=CCCC=CCC1 X4617 [0,0,0,0,0,2|2,0,0]=4 346 B8R1.49 C1=CCCC=CCC1 X4908 [0,0,0,0,0,2|2,0,0]=4