0 B6R1.1 C1=NCCCN1 0674AQ [0,0,0,0,0,0|2,0,1]=3 1 B6R1.1 C1CCONC1 9605AH [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 BrC1=CCCCC1 Z0360 [0,1,0,0,0,0|2,0,1]=4 5 B7R1.3 BrC1=CCOCC1 V4625 [0,1,0,0,0,0|1,0,1]=3 6 B7R1.3 BrC1=CCSCC1 Z8895 [0,1,0,0,0,0|1,1,1]=4 7 B7R1.3 C=C1CCOCC1 4680AB [0,1,0,0,0,0|1,0,0]=2 8 B7R1.3 CC1C=CCCC1 6090AL [0,1,0,0,0,0|2,0,1]=4 9 B7R1.3 CC1CCCCN1 7117AB [0,1,0,0,0,0|1,0,0]=2 10 B7R1.3 CC1CCOCO1 8171AJ [0,1,0,0,0,0|2,0,0]=3 11 B7R1.3 CC1CNCCO1 8808AB [0,1,0,0,0,0|0,0,0]=1 12 B7R1.3 C[C@@H]1CCCNC1 Z4441 [0,1,0,0,0,0|1,0,0]=2 13 B7R1.3 FC1CCCCC1 1850AE [0,1,0,0,0,0|2,0,0]=3 14 B7R1.3 FC1CCCNC1 0816AQ [0,1,0,0,0,0|1,0,0]=2 15 B7R1.3 IC1CCNCC1 Z9919 [0,1,0,0,0,0|1,0,0]=2 16 B7R1.3 NC1CC=CCC1 3966AJ [0,1,0,0,0,0|2,0,1]=4 17 B7R1.3 NC1CCCOC1 0386AC [0,1,0,0,0,0|1,0,0]=2 18 B7R1.3 N[C@@H]1CCCNC1 X9699 [0,1,0,0,0,0|1,0,0]=2 19 B7R1.3 N[C@H]1CCCNC1 Y4134 [0,1,0,0,0,0|1,0,0]=2 20 B7R1.3 O=C1C=CCCN1 9030AB [0,1,0,0,0,0|1,0,2]=4 21 B7R1.3 O=C1C=CCOC1 6867AC [0,1,0,0,0,0|1,0,2]=4 22 B7R1.3 O=S1CCNCC1 V7654 [0,1,0,0,0,0|0,1,0]=2 23 B7R1.3 ON1CCCCC1 W6467 [0,1,0,0,0,0|1,0,0]=2 24 B7R1.3 S=C1NCCCS1 5563AE [0,1,0,0,0,0|2,0,1]=4 25 B5R0.2 C=CCCCN 7616AH [0,0,1,0,0,0|1,0,2]=4 26 B5R0.2 C=CCOCC 5601AE [0,0,1,0,0,0|1,0,1]=3 27 B5R0.2 CC#CCCO 6150AL [0,0,1,0,0,0|1,0,1]=3 28 B5R0.2 CCCCOC 7303AL [0,0,1,0,0,0|1,0,0]=2 29 B5R0.2 CCCNCC 8554AL [0,0,1,0,0,0|1,0,0]=2 30 B5R0.2 CCCOCC 7892AL [0,0,1,0,0,0|1,0,0]=2 31 B5R0.2 CCCOCCl 4494AB [0,0,1,0,0,0|2,0,0]=3 32 B5R0.2 CCCSCC R576 [0,0,1,0,0,0|1,1,0]=3 33 B5R0.2 CCC\C=N\O 7272AF [0,0,1,0,0,0|2,0,1]=4 34 B5R0.2 CCOCCN 3903AD [0,0,1,0,0,0|0,0,0]=1 35 B5R0.2 CC[Se][Se]CC 7651AL [0,0,1,0,0,0|2,1,0]=4 36 B5R0.2 COCCCI 9890AH [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 CSCCC#N 5452AE [0,0,1,0,0,0|2,1,0]=4 39 B5R0.2 ClCCOCCl 7247AA [0,0,1,0,0,0|2,0,0]=3 40 B5R0.2 NC\C=C/CCl 3552AH [0,0,1,0,0,0|2,0,1]=4 41 B5R0.2 NC\C=C/CN Z2171 [0,0,1,0,0,0|2,0,1]=4 42 B5R0.2 OCC#CCCl 0022AQ [0,0,1,0,0,0|2,0,1]=4 43 B5R0.2 [C-]#[N+]CCOC V5938 [0,0,1,0,0,0|0,0,2]=3 44 B7R2.13 C1CC2CC2N1 1555AJ [0,0,0,1,0,0|1,0,0]=2 45 B7R2.13 C1NCC2CC12 Z1877 [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 C1CNOC1 2460AE [0,0,0,0,1,0|1,0,0]=2 49 B5R1.1 C1CSCS1 0673AQ [0,0,0,0,1,0|1,1,0]=3 50 B7R1.24 C1=CCCCCC1 7508AL [0,0,0,0,0,1|2,0,0]=3 51 B4R0.2 CCC=NO 0148AQ [1,0,1,0,0,0|1,0,1]=4 52 B4R0.2 CCCCF 8004AD [1,0,1,0,0,0|1,0,0]=3 53 B4R0.2 CCCNN 4415AE [1,0,1,0,0,0|1,0,0]=3 54 B4R0.2 CCCOC 4896AL [1,0,1,0,0,0|0,0,0]=2 55 B4R0.2 CCCON 6597AE [1,0,1,0,0,0|1,0,0]=3 56 B4R0.2 CCCSC U677 [1,0,1,0,0,0|0,1,0]=3 57 B4R0.2 CCSCC E138 [1,0,1,0,0,0|0,1,0]=3 58 B4R0.2 CNCC#N 8258AL [1,0,1,0,0,0|1,0,1]=4 59 B4R0.2 CSCCBr Y1764 [1,0,1,0,0,0|1,1,0]=4 60 B4R0.2 C\C=C/CC 7428AL [1,0,1,0,0,0|1,0,1]=4 61 B4R0.2 NCCON 6473AB [1,0,1,0,0,0|1,0,0]=3 62 B4R0.2 NCCON 7871AA [1,0,1,0,0,0|1,0,0]=3 63 B6R0.1 CCC(O)CNN 2943AE [0,1,1,0,0,0|2,0,0]=4 64 B6R0.1 CCCC(Br)CC 3975AB [0,1,1,0,0,0|2,0,0]=4 65 B6R0.1 CCCC(C)CC 7810AF [0,1,1,0,0,0|2,0,0]=4 66 B6R0.1 CCCC(C)CO 1207AA [0,1,1,0,0,0|1,0,0]=3 67 B6R0.1 CCCC(O)CC 7557AF [0,1,1,0,0,0|2,0,0]=4 68 B6R0.1 CCC[C@@H](N)CO 2554AC [0,1,1,0,0,0|1,0,0]=3 69 B6R0.1 CCNC(=O)CBr 5060AE [0,1,1,0,0,0|1,0,1]=4 70 B6R0.1 CCNC(=O)CN 8793AD [0,1,1,0,0,0|1,0,1]=4 71 B6R0.1 CCNC(C)CC 7145AD [0,1,1,0,0,0|1,0,0]=3 72 B6R0.1 CCNC(C)CO 8218AD [0,1,1,0,0,0|0,0,0]=2 73 B6R0.1 CCOC(=N)CC 8352AC [0,1,1,0,0,0|1,0,1]=4 74 B6R0.1 CCOC(C)CC 8956AL [0,1,1,0,0,0|1,0,0]=3 75 B6R0.1 CCOC(C)CN 0082AD [0,1,1,0,0,0|0,0,0]=2 76 B6R0.1 CC[C@H](C)CCO 4202AL [0,1,1,0,0,0|1,0,0]=3 77 B6R0.1 CNC(=O)CCO 8079AE [0,1,1,0,0,0|2,0,0]=4 78 B6R0.1 CNC(C)CCO 8891AD [0,1,1,0,0,0|2,0,0]=4 79 B6R0.1 CNCC(=O)NC V5990 [0,1,1,0,0,0|1,0,1]=4 80 B6R0.1 CNCC(C)OC 1691AF [0,1,1,0,0,0|0,0,0]=2 81 B6R0.1 COC(=O)CCN 5700AB [0,1,1,0,0,0|2,0,0]=4 82 B6R0.1 OCC[C@@H](O)CO W7968 [0,1,1,0,0,0|2,0,0]=4 83 B6R0.4 C=C(C)CCCC 5699AL [0,1,1,0,0,0|2,0,0]=4 84 B6R0.4 CC(=O)NCCCl W8163 [0,1,1,0,0,0|1,0,1]=4 85 B6R0.4 CC(=O)OCCCl 7237AF [0,1,1,0,0,0|1,0,1]=4 86 B6R0.4 CC(=O)SCCN 5884AD [0,1,1,0,0,0|0,1,1]=4 87 B6R0.4 CC(C)CCCCl 6814AE [0,1,1,0,0,0|2,0,0]=4 88 B6R0.4 CC(C)NCC#N Y7768 [0,1,1,0,0,0|1,0,1]=4 89 B6R0.4 CC(C)NCCCl 9576AB [0,1,1,0,0,0|1,0,0]=3 90 B6R0.4 CC(C)SCCCl 3252AE [0,1,1,0,0,0|1,1,0]=4 91 B6R0.4 CCCCC(C)Br 5535AL [0,1,1,0,0,0|2,0,0]=4 92 B6R0.4 CCCCC(C)C 5734AL [0,1,1,0,0,0|2,0,0]=4 93 B6R0.4 CCCCC(C)Cl 5578AL [0,1,1,0,0,0|2,0,0]=4 94 B6R0.4 CCCCC(C)N 7573AF [0,1,1,0,0,0|1,0,0]=3 95 B6R0.4 CCCCC(C)O 9467AB [0,1,1,0,0,0|1,0,0]=3 96 B6R0.4 CCOCC(C)N 0535AD [0,1,1,0,0,0|0,0,0]=2 97 B6R0.6 C=COCCCN 0206AC [0,1,1,0,0,0|0,0,2]=4 98 B6R0.6 CC#CCCCC 5638AL [0,1,1,0,0,0|2,0,0]=4 99 B6R0.6 CC=C=CCCO 1076AQ [0,1,1,0,0,0|1,0,1]=4 100 B6R0.6 CCCCCSC 7567AF [0,1,1,0,0,0|1,1,0]=4 101 B6R0.6 CCCCOCC 7302AL [0,1,1,0,0,0|1,0,0]=3 102 B6R0.6 CCCOCCC 7558AF [0,1,1,0,0,0|1,0,0]=3 103 B6R0.6 CCCSCCC 7569AF [0,1,1,0,0,0|1,1,0]=4 104 B6R0.6 CCC\C=C/CO 7423AL [0,1,1,0,0,0|1,0,1]=4 105 B6R0.6 CCOCCNC 5385AD [0,1,1,0,0,0|0,0,0]=2 106 B6R0.6 CC\C=C\CCC 9219AL [0,1,1,0,0,0|2,0,0]=4 107 B6R0.6 CNCCCOC V6596 [0,1,1,0,0,0|0,0,0]=2 108 B6R0.6 COCCN=C=O 3069AE [0,1,1,0,0,0|0,0,2]=4 109 B6R0.6 C\C=C/CCCC 7422AL [0,1,1,0,0,0|2,0,0]=4 110 B6R0.6 C\C=C\CCCC 7780AF [0,1,1,0,0,0|2,0,0]=4 111 B6R0.6 NCCNCCCl 8169AB [0,1,1,0,0,0|1,0,0]=3 112 B6R0.6 NCCOCCN 1537AL [0,1,1,0,0,0|0,0,0]=2 113 B6R0.6 NCCSCCN K553 [0,1,1,0,0,0|0,1,0]=3 114 B6R0.6 NCCSCCO 8189AD [0,1,1,0,0,0|0,1,0]=3 115 B6R0.6 SCCSCCS Q406 [0,1,1,0,0,0|1,1,0]=4 116 B6R1.2 CC1=CCCC1 9313AJ [0,1,0,0,1,0|1,0,1]=4 117 B6R1.2 CC1=CCCO1 0728AQ [0,1,0,0,1,0|0,0,2]=4 118 B6R1.2 CC1=NNCC1 6440AD [0,1,0,0,1,0|1,0,1]=4 119 B6R1.2 CC1CCCN1 0591AQ [0,1,0,0,1,0|0,0,0]=2 120 B6R1.2 CC1CCCS1 7972AJ [0,1,0,0,1,0|0,1,0]=3 121 B6R1.2 CC1CCNC1 X9461 [0,1,0,0,1,0|0,0,0]=2 122 B6R1.2 CC1CCOC1 6124AL [0,1,0,0,1,0|0,0,0]=2 123 B6R1.2 CC1COCO1 6593AL [0,1,0,0,1,0|1,0,0]=3 124 B6R1.2 CC1OCCO1 7260AF [0,1,0,0,1,0|1,0,0]=3 125 B6R1.2 C[C@@H]1CCCN1 V2030 [0,1,0,0,1,0|0,0,0]=2 126 B6R1.2 ClC1=CCCC1 9304AJ [0,1,0,0,1,0|1,0,1]=4 127 B6R1.2 FC1CCCC1 7941AL [0,1,0,0,1,0|1,0,0]=3 128 B6R1.2 FC1CCNC1 W3697 [0,1,0,0,1,0|0,0,0]=2 129 B6R1.2 FC1CCNC1 X9172 [0,1,0,0,1,0|0,0,0]=2 130 B6R1.2 F[C@H]1CCNC1 9169AH [0,1,0,0,1,0|0,0,0]=2 131 B6R1.2 NC1=NCCO1 5489AL [0,1,0,0,1,0|0,0,2]=4 132 B6R1.2 NC1CCOC1 W9158 [0,1,0,0,1,0|0,0,0]=2 133 B6R1.2 NN1CCCC1 8436AA [0,1,0,0,1,0|0,0,0]=2 134 B6R1.2 N[C@H]1CCNC1 N118 [0,1,0,0,1,0|0,0,0]=2 135 B6R1.2 N[C@H]1CCOC1 W4304 [0,1,0,0,1,0|0,0,0]=2 136 B6R1.2 OC1CNOC1 0177AF [0,1,0,0,1,0|1,0,0]=3 137 B6R1.2 O[C@H]1CCSC1 Y1948 [0,1,0,0,1,0|0,1,0]=3 138 B6R1.2 S=C1NCCO1 1519AL [0,1,0,0,1,0|0,0,1]=3 139 B8R1.22 BrC1=CCCCCC1 V3936 [0,1,0,0,0,1|2,0,0]=4 140 B8R1.22 CC1CCCNCC1 2641AE [0,1,0,0,0,1|1,0,0]=3 141 B8R1.22 CC1CCNCCN1 W4646 [0,1,0,0,0,1|1,0,0]=3 142 B8R1.22 ClC1CCCCCC1 1856AB [0,1,0,0,0,1|2,0,0]=4 143 B8R1.22 N[C@H]1CCCCNC1 1604AA [0,1,0,0,0,1|1,0,0]=3 144 B8R1.22 O=C1CCCCNC1 0003AC [0,1,0,0,0,1|1,0,0]=3 145 B8R1.22 O=C1CCNCCN1 W5590 [0,1,0,0,0,1|1,0,0]=3 146 B8R1.22 O=C1CCSCCN1 9235AD [0,1,0,0,0,1|0,1,0]=3 147 B8R1.22 OC1CCCNCC1 V5726 [0,1,0,0,0,1|1,0,0]=3 148 B8R1.22 OC1CCCNCC1 X9141 [0,1,0,0,0,1|1,0,0]=3 149 B8R1.22 O[C@@H]1CNCCOC1 8939AH [0,1,0,0,0,1|0,0,0]=2 150 B8R1.2 BrC=C1CCCCC1 0651AQ [0,2,0,0,0,0|2,0,0]=4 151 B8R1.2 BrCC1CCCCN1 4115AB [0,2,0,0,0,0|1,0,0]=3 152 B8R1.2 BrCC1CCNCC1 X0255 [0,2,0,0,0,0|1,0,0]=3 153 B8R1.2 C#CC1CCOCC1 0859AD [0,2,0,0,0,0|1,0,0]=3 154 B8R1.2 C=CC1CCCCC1 Z3463 [0,2,0,0,0,0|2,0,0]=4 155 B8R1.2 CCC1CNCCN1 W6296 [0,2,0,0,0,0|1,0,0]=3 156 B8R1.2 CCC1CNCCN1 Y7494 [0,2,0,0,0,0|1,0,0]=3 157 B8R1.2 CCC1CNCCO1 Z8593 [0,2,0,0,0,0|0,0,0]=2 158 B8R1.2 CC[C@@H]1CNCCN1 9227AJ [0,2,0,0,0,0|1,0,0]=3 159 B8R1.2 CC[C@@H]1COCCN1 1582AC [0,2,0,0,0,0|0,0,0]=2 160 B8R1.2 CC[C@H]1CNCCN1 5419AA [0,2,0,0,0,0|1,0,0]=3 161 B8R1.2 CC[C@H]1COCCN1 X3457 [0,2,0,0,0,0|0,0,0]=2 162 B8R1.2 CNC1CCCNC1 7535AA [0,2,0,0,0,0|1,0,0]=3 163 B8R1.2 CNC1CCCOC1 4420AJ [0,2,0,0,0,0|1,0,0]=3 164 B8R1.2 CNC1CCNCC1 V0325 [0,2,0,0,0,0|1,0,0]=3 165 B8R1.2 COC1=CCOCC1 Y5304 [0,2,0,0,0,0|1,0,1]=4 166 B8R1.2 COC1CCCCC1 7515AL [0,2,0,0,0,0|2,0,0]=4 167 B8R1.2 CSC1CCNCC1 W4370 [0,2,0,0,0,0|1,0,0]=3 168 B8R1.2 FCC1CCCCN1 1886AF [0,2,0,0,0,0|1,0,0]=3 169 B8R1.2 FCC1CCNCC1 9762AE [0,2,0,0,0,0|1,0,0]=3 170 B8R1.2 ICC1CCNCC1 6189AJ [0,2,0,0,0,0|1,0,0]=3 171 B8R1.2 N#CC1CCCCN1 W6222 [0,2,0,0,0,0|1,0,0]=3 172 B8R1.2 N#CC1CCCNC1 W8248 [0,2,0,0,0,0|1,0,0]=3 173 B8R1.2 N#CC1CCNCC1 W4760 [0,2,0,0,0,0|1,0,0]=3 174 B8R1.2 N#CC1CCSCC1 0101AB [0,2,0,0,0,0|1,1,0]=4 175 B8R1.2 N#CC1CNCCN1 W4048 [0,2,0,0,0,0|1,0,0]=3 176 B8R1.2 N#CC1CNCCO1 3567AA [0,2,0,0,0,0|0,0,0]=2 177 B8R1.2 N#CC1COCCN1 6801AC [0,2,0,0,0,0|0,0,0]=2 178 B8R1.2 N#CN1CCCCC1 1396AQ [0,2,0,0,0,0|1,0,0]=3 179 B8R1.2 N#C[C@@H]1CNCCN1 3771AA [0,2,0,0,0,0|1,0,0]=3 180 B8R1.2 NCC1CCCCN1 8197AB [0,2,0,0,0,0|1,0,0]=3 181 B8R1.2 NCC1CCCCO1 Y9814 [0,2,0,0,0,0|1,0,0]=3 182 B8R1.2 NCC1CCCNC1 1145AC [0,2,0,0,0,0|1,0,0]=3 183 B8R1.2 NCC1CCCOC1 W8070 [0,2,0,0,0,0|1,0,0]=3 184 B8R1.2 NCC1COCCO1 9635AH [0,2,0,0,0,0|1,0,0]=3 185 B8R1.2 NC[C@@H]1COCCO1 8541AH [0,2,0,0,0,0|1,0,0]=3 186 B8R1.2 NNC1CCNCC1 2019AE [0,2,0,0,0,0|1,0,0]=3 187 B8R1.2 O=CC1CCCCN1 X3865 [0,2,0,0,0,0|1,0,0]=3 188 B8R1.2 O=CC1CCCNC1 4398AB [0,2,0,0,0,0|1,0,0]=3 189 B8R1.2 O=CC1CCNCC1 0201AP [0,2,0,0,0,0|1,0,0]=3 190 B8R1.2 O=CC1CCNCC1 Y9263 [0,2,0,0,0,0|1,0,0]=3 191 B8R1.2 O=CC1CCSCC1 Y9262 [0,2,0,0,0,0|1,1,0]=4 192 B8R1.2 O=NN1CCOCC1 8616AL [0,2,0,0,0,0|0,0,0]=2 193 B8R1.2 OCC1CCCNC1 W3153 [0,2,0,0,0,0|1,0,0]=3 194 B8R1.2 OCC1CCOCO1 6434AB [0,2,0,0,0,0|2,0,0]=4 195 B8R1.2 OCC1CNCCN1 4453AJ [0,2,0,0,0,0|1,0,0]=3 196 B8R1.2 OCC1CNCCN1 X9517 [0,2,0,0,0,0|1,0,0]=3 197 B8R1.2 OCC1COCCO1 9399AD [0,2,0,0,0,0|1,0,0]=3 198 B8R1.2 OC[C@@H]1CCCNC1 W5857 [0,2,0,0,0,0|1,0,0]=3 199 B8R1.2 OC[C@@H]1CNCCN1 W3264 [0,2,0,0,0,0|1,0,0]=3 200 B8R1.2 OC[C@@H]1COCCO1 8542AH [0,2,0,0,0,0|1,0,0]=3 201 B8R1.2 OC[C@H]1CCCNC1 2192AA [0,2,0,0,0,0|1,0,0]=3 202 B8R1.2 OC[C@H]1CNCCO1 W3408 [0,2,0,0,0,0|0,0,0]=2 203 B8R1.2 OC[C@H]1COCCN1 W4406 [0,2,0,0,0,0|0,0,0]=2 204 B8R1.3 CC1CCC(=O)NC1 3753AB [0,2,0,0,0,0|1,0,1]=4 205 B8R1.3 CC1CCC(C)CC1 7953AF [0,2,0,0,0,0|2,0,0]=4 206 B8R1.3 CC1CCC(N)CC1 0306AA [0,2,0,0,0,0|2,0,0]=4 207 B8R1.3 CC1CNC(=O)CO1 6453AJ [0,2,0,0,0,0|0,0,1]=3 208 B8R1.3 CN1CCC(Br)CC1 7812AB [0,2,0,0,0,0|1,0,0]=3 209 B8R1.3 C[C@H]1CC[C@@H](C)CC1 7416AL [0,2,0,0,0,0|2,0,0]=4 210 B8R1.3 C[C@H]1CC[C@@H](N)CC1 3945AJ [0,2,0,0,0,0|2,0,0]=4 211 B8R1.3 C[C@H]1CC[C@H](C)CC1 3891AL [0,2,0,0,0,0|2,0,0]=4 212 B8R1.3 NC1CCC(=O)NC1 7736AA [0,2,0,0,0,0|1,0,1]=4 213 B8R1.3 NC1CCC(Br)CC1 6965AC [0,2,0,0,0,0|2,0,0]=4 214 B8R1.3 N[C@@H]1CCC(=O)NC1 0145AA [0,2,0,0,0,0|1,0,1]=4 215 B8R1.3 N[C@H]1CCC(=O)NC1 0353AC [0,2,0,0,0,0|1,0,1]=4 216 B8R1.3 O=C1CC[C@@H](O)CN1 X8626 [0,2,0,0,0,0|1,0,1]=4 217 B8R1.3 O=C1CC[C@H](O)CN1 W4776 [0,2,0,0,0,0|1,0,1]=4 218 B8R1.4 CC1CC(=O)CCN1 1072AC [0,2,0,0,0,0|1,0,0]=3 219 B8R1.4 CC1CC(O)CCN1 1810AJ [0,2,0,0,0,0|1,0,0]=3 220 B8R1.4 CC1CCCC(=O)N1 6454AJ [0,2,0,0,0,0|1,0,1]=4 221 B8R1.4 CC1CCCC(N)C1 V8849 [0,2,0,0,0,0|2,0,0]=4 222 B8R1.4 CC1CCCC(N)C1 W7860 [0,2,0,0,0,0|2,0,0]=4 223 B8R1.4 CC1CCOC(C)O1 5310AL [0,2,0,0,0,0|2,0,0]=4 224 B8R1.4 CC1CN(C)CCN1 Z2448 [0,2,0,0,0,0|1,0,0]=3 225 B8R1.4 CC1COCC(=O)N1 V7159 [0,2,0,0,0,0|0,0,1]=3 226 B8R1.4 CC1COCC(C)N1 4497AA [0,2,0,0,0,0|0,0,0]=2 227 B8R1.4 CN1CCC=C(Br)C1 1699AE [0,2,0,0,0,0|1,0,1]=4 228 B8R1.4 CN1CCC=C(Br)C1 2180AJ [0,2,0,0,0,0|1,0,1]=4 229 B8R1.4 CN1CCCC(=O)C1 9933AH [0,2,0,0,0,0|1,0,1]=4 230 B8R1.4 CN1CCCC(=O)C1 9934AH [0,2,0,0,0,0|1,0,1]=4 231 B8R1.4 CN1CCC[C@H](N)C1 9156AH [0,2,0,0,0,0|1,0,0]=3 232 B8R1.4 CN1CCC[C@H](N)C1 9157AH [0,2,0,0,0,0|1,0,0]=3 233 B8R1.4 CN1CCC[C@H](O)C1 Z2139 [0,2,0,0,0,0|1,0,0]=3 234 B8R1.4 C[C@@H]1CCC[C@@H](C)C1 9192AL [0,2,0,0,0,0|2,0,0]=4 235 B8R1.4 C[C@@H]1CNCC(=O)N1 9027AH [0,2,0,0,0,0|1,0,1]=4 236 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 1079AL [0,2,0,0,0,0|1,0,0]=3 237 B8R1.4 C[C@@H]1CNC[C@@H](C)O1 8828AA [0,2,0,0,0,0|0,0,0]=2 238 B8R1.4 C[C@@H]1COCC(=O)N1 3435AA [0,2,0,0,0,0|0,0,1]=3 239 B8R1.4 C[C@H]1CCC[C@@H](C)C1 7412AL [0,2,0,0,0,0|2,0,0]=4 240 B8R1.4 C[C@H]1CN(C)CCN1 2498AA [0,2,0,0,0,0|1,0,0]=3 241 B8R1.4 C[C@H]1CN(C)CCN1 9093AH [0,2,0,0,0,0|1,0,0]=3 242 B8R1.4 C[C@H]1CNC[C@H](C)O1 8589AH [0,2,0,0,0,0|0,0,0]=2 243 B8R1.4 C[C@H]1COCC(=O)N1 Z8132 [0,2,0,0,0,0|0,0,1]=3 244 B8R1.4 NC1CCNC(=O)C1 X9664 [0,2,0,0,0,0|1,0,1]=4 245 B8R1.4 N[C@H]1CCC[C@@H](N)C1 6766AB [0,2,0,0,0,0|2,0,0]=4 246 B8R1.4 N[C@H]1CCC[C@@H](N)C1 7409AL [0,2,0,0,0,0|2,0,0]=4 247 B8R1.4 N[C@H]1CCC[C@H](N)C1 9190AL [0,2,0,0,0,0|2,0,0]=4 248 B8R1.4 O=C1COCC(=O)N1 7446AH [0,2,0,0,0,0|0,0,2]=4 249 B8R1.4 O[C@H]1CCC[C@@H](O)C1 7408AL [0,2,0,0,0,0|2,0,0]=4 250 B8R1.5 CC1CCCCC1C 4454AL [0,2,0,0,0,0|2,0,0]=4 251 B8R1.5 CC1CCNCC1O 2895AJ [0,2,0,0,0,0|1,0,0]=3 252 B8R1.5 CC1CNCCC1O 3011AA [0,2,0,0,0,0|1,0,0]=3 253 B8R1.5 CC1COCCC1=O Z3955 [0,2,0,0,0,0|1,0,0]=3 254 B8R1.5 CC1NCCNC1=O 1693AB [0,2,0,0,0,0|1,0,1]=4 255 B8R1.5 CC1NCCNC1C 0452AF [0,2,0,0,0,0|1,0,0]=3 256 B8R1.5 CC1OCCNC1=O 5590AJ [0,2,0,0,0,0|0,0,1]=3 257 B8R1.5 CN1CCNCC1=O 7723AJ [0,2,0,0,0,0|1,0,1]=4 258 B8R1.5 C[C@@H]1CCCC[C@@H]1O 7425AL [0,2,0,0,0,0|2,0,0]=4 259 B8R1.5 C[C@@H]1CCNC[C@H]1O 4686AJ [0,2,0,0,0,0|1,0,0]=3 260 B8R1.5 C[C@@H]1CNCCN1C 8539AH [0,2,0,0,0,0|1,0,0]=3 261 B8R1.5 C[C@H]1CCCC[C@@H]1C 9189AL [0,2,0,0,0,0|2,0,0]=4 262 B8R1.5 C[C@H]1CCCC[C@H]1C 7956AF [0,2,0,0,0,0|2,0,0]=4 263 B8R1.5 C[C@H]1CCCC[C@H]1N 8371AH [0,2,0,0,0,0|2,0,0]=4 264 B8R1.5 Cl[C@@H]1OCCO[C@H]1Cl 9197AL [0,2,0,0,0,0|1,0,0]=3 265 B8R1.5 FC1CCCCC1Br 7512AE [0,2,0,0,0,0|2,0,0]=4 266 B8R1.5 NC1CCNCC1O 0385AQ [0,2,0,0,0,0|1,0,0]=3 267 B8R1.5 NC1COCCC1O Y6179 [0,2,0,0,0,0|1,0,0]=3 268 B8R1.5 NN1CCCCC1=O Z4590 [0,2,0,0,0,0|1,0,1]=4 269 B8R1.5 N[C@@H]1CCCNC1=O 4620AC [0,2,0,0,0,0|1,0,1]=4 270 B8R1.5 N[C@H]1CCCC[C@H]1N 0141AA [0,2,0,0,0,0|2,0,0]=4 271 B8R1.5 N[C@H]1CCCNC1=O 4844AJ [0,2,0,0,0,0|1,0,1]=4 272 B8R1.5 O=C1CCCCC1Br X5630 [0,2,0,0,0,0|2,0,0]=4 273 B8R1.5 O=C1CCCCC1Cl 7902AJ [0,2,0,0,0,0|2,0,0]=4 274 B8R1.5 O=C1CCOCC1F W7452 [0,2,0,0,0,0|1,0,0]=3 275 B8R1.5 O=C1NCCCC1Br 4146AB [0,2,0,0,0,0|1,0,1]=4 276 B8R1.5 O[C@@H]1CCCC[C@H]1F 0067AC [0,2,0,0,0,0|2,0,0]=4 277 B8R1.5 O[C@H]1CCNC[C@@H]1O 5210AB [0,2,0,0,0,0|1,0,0]=3 278 B8R1.72 CC1(C)CCNCC1 5453AB [0,2,0,0,0,0|1,0,0]=3 279 B8R1.72 CC1(C)CNCCN1 1323AJ [0,2,0,0,0,0|1,0,0]=3 280 B8R1.72 CC1(C)CNCCO1 5391AD [0,2,0,0,0,0|0,0,0]=2 281 B8R1.72 CC1(C)COCCN1 2066AJ [0,2,0,0,0,0|0,0,0]=2 282 B8R1.72 CC1(N)CCCCC1 X6756 [0,2,0,0,0,0|2,0,0]=4 283 B8R1.72 CC1(N)CCNCC1 6612AB [0,2,0,0,0,0|1,0,0]=3 284 B8R1.72 N=S1(=O)CCOCC1 X2152 [0,2,0,0,0,0|1,0,0]=3 285 B6R1.3 BrCCC1CC1 8486AH [0,0,1,1,0,0|2,0,0]=4 286 B6R1.3 CCCC1CO1 4468AL [0,0,1,1,0,0|1,0,0]=3 287 B6R1.3 CCNC1CC1 2347AB [0,0,1,1,0,0|1,0,0]=3 288 B6R1.3 CCNC1CC1 3977AJ [0,0,1,1,0,0|1,0,0]=3 289 B6R1.3 COC[C@@H]1CO1 9238AJ [0,0,1,1,0,0|1,0,0]=3 290 B6R1.3 COC[C@H]1CO1 9221AJ [0,0,1,1,0,0|1,0,0]=3 291 B6R1.3 CONC1CC1 Z3770 [0,0,1,1,0,0|2,0,0]=4 292 B6R1.3 ICCC1CC1 8514AH [0,0,1,1,0,0|2,0,0]=4 293 B6R1.3 NNCC1CC1 4780AJ [0,0,1,1,0,0|2,0,0]=4 294 B6R1.6 CNC1CNC1 1896AB [0,0,1,1,0,0|1,0,0]=3 295 B6R1.6 COC1CNC1 Y5064 [0,0,1,1,0,0|0,0,0]=2 296 B6R1.6 ClCC1COC1 2027AJ [0,0,1,1,0,0|2,0,0]=4 297 B6R1.6 NCC1CCN1 0858AA [0,0,1,1,0,0|1,0,0]=3 298 B6R1.6 NCC1CCN1 6521AH [0,0,1,1,0,0|1,0,0]=3 299 B6R1.6 NCC1CCO1 V8594 [0,0,1,1,0,0|0,0,0]=2 300 B6R1.6 NCC1CNC1 2747AA [0,0,1,1,0,0|2,0,0]=4 301 B6R1.6 NCC1COC1 W7450 [0,0,1,1,0,0|2,0,0]=4 302 B6R1.6 NNC1CCC1 3961AJ [0,0,1,1,0,0|2,0,0]=4 303 B6R1.6 O=CC1COC1 5573AA [0,0,1,1,0,0|2,0,0]=4 304 B8R2.25 C1=CC2OC2CC1 0136AQ [0,0,0,1,0,1|1,0,1]=4 305 B8R2.18 OC1CC2CC2C1 4817AC [0,1,0,1,0,0|2,0,0]=4 306 B8R2.23 C1NCC2CC1O2 3619AJ [0,1,0,1,0,0|0,0,0]=2 307 B8R2.34 C12CCC(CC1)O2 6894AL [0,1,0,1,0,0|2,0,0]=4 308 B8R2.34 C1=CC2CC1CN2 0247AC [0,1,0,1,0,0|1,0,1]=4 309 B8R2.34 [C@@H]12CN[C@@H](CN1)C2 1392AJ [0,1,0,1,0,0|1,0,0]=3 310 B4R1.1 C1CSC1 7055AF [0,0,0,0,2,0|0,1,0]=3 311 B8R1.49 C1=CCCC=CCC1 3897AA [0,0,0,0,0,2|2,0,0]=4 312 B8R1.49 C1=CCCC=CCC1 6196AH [0,0,0,0,0,2|2,0,0]=4 313 B8R1.49 C1=CCCC=CCC1 6604AH [0,0,0,0,0,2|2,0,0]=4 314 B8R1.49 C1=CCCC=CCC1 G780 [0,0,0,0,0,2|2,0,0]=4 315 B8R1.49 C1=CCCC=CCC1 K782 [0,0,0,0,0,2|2,0,0]=4