0 B7R1.1 BrCC1=CCCC1 B7551 [0,0,0,0,0,0|2,0,1]=3 1 B7R1.1 BrCC1CCCC1 B23399 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.1 BrC[C@H]1CCCO1 B17294 [0,0,0,0,0,0|1,0,0]=1 3 B7R1.1 BrC[C@H]1CCOC1 T0399 [0,0,0,0,0,0|3,0,0]=3 4 B7R1.1 C#C[C@H]1CCOC1 E11326 [0,0,0,0,0,0|3,0,1]=4 5 B7R1.1 CC[C@@H]1CCNC1 E22541 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.1 CC[C@H]1CCNC1 E22542 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.1 CN[C@@H]1CCOC1 M15031 [0,0,0,0,0,0|4,0,0]=4 8 B7R1.1 CN[C@H]1CCOC1 M1156 [0,0,0,0,0,0|4,0,0]=4 9 B7R1.1 COC1=NCCC1 M69559 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.1 CO[C@@H]1CCNC1 M0200 [0,0,0,0,0,0|4,0,0]=4 11 B7R1.1 CO[C@@H]1CCNC1 M12251 [0,0,0,0,0,0|4,0,0]=4 12 B7R1.1 CO[C@H]1CCNC1 M1159 [0,0,0,0,0,0|4,0,0]=4 13 B7R1.1 CO[C@H]1CCNC1 M7459 [0,0,0,0,0,0|4,0,0]=4 14 B7R1.1 ClCC1=NCCN1 C69471 [0,0,0,0,0,0|3,0,1]=4 15 B7R1.1 FC[C@@H]1CCCN1 F1127 [0,0,0,0,0,0|2,0,0]=2 16 B7R1.1 FC[C@@H]1CCNC1 F60420 [0,0,0,0,0,0|3,0,0]=3 17 B7R1.1 FC[C@H]1CCCN1 F12954 [0,0,0,0,0,0|2,0,0]=2 18 B7R1.1 IC[C@H]1CCOC1 I12451 [0,0,0,0,0,0|3,0,0]=3 19 B7R1.1 N#C[C@@H]1CCCN1 C10155 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.1 N#C[C@@H]1CCCN1 C10523 [0,0,0,0,0,0|2,0,1]=3 21 B7R1.1 N#C[C@@H]1CCCN1 C12934 [0,0,0,0,0,0|2,0,1]=3 22 B7R1.1 N#C[C@@H]1CCCN1 C12935 [0,0,0,0,0,0|2,0,1]=3 23 B7R1.1 N#C[C@@H]1CCNC1 P1832 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.1 N#C[C@@H]1CCOC1 T12072 [0,0,0,0,0,0|3,0,1]=4 25 B7R1.1 N#C[C@H]1CCCN1 C10524 [0,0,0,0,0,0|2,0,1]=3 26 B7R1.1 N#C[C@H]1CCCN1 C12936 [0,0,0,0,0,0|2,0,1]=3 27 B7R1.1 N#C[C@H]1CCNC1 C7506 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.1 N#C[C@H]1CCNC1 P12308 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.1 N#C[C@H]1CCNC1 P1833 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.1 N#C[C@H]1CCOC1 T12073 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.1 N#C[C@H]1CCOC1 T12452 [0,0,0,0,0,0|3,0,1]=4 32 B7R1.1 NCC1CCCC1 C5395 [0,0,0,0,0,0|2,0,0]=2 33 B7R1.1 NC[C@@H]1CCCN1 A7822 [0,0,0,0,0,0|2,0,0]=2 34 B7R1.1 NC[C@@H]1CCCO1 T25038 [0,0,0,0,0,0|1,0,0]=1 35 B7R1.1 NC[C@@H]1CCOC1 T10325 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.1 NC[C@@H]1CCOC1 T1675 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.1 NC[C@H]1CCCN1 A60830 [0,0,0,0,0,0|2,0,0]=2 38 B7R1.1 NC[C@H]1CCOC1 T10324 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.1 NC[C@H]1CCOC1 T1153 [0,0,0,0,0,0|3,0,0]=3 40 B7R1.1 NC[C@H]1CCOC1 T1674 [0,0,0,0,0,0|3,0,0]=3 41 B7R1.1 NC[C@H]1CCOC1 T7262 [0,0,0,0,0,0|3,0,0]=3 42 B7R1.1 NNC1CCCC1 C22580 [0,0,0,0,0,0|3,0,0]=3 43 B7R1.1 O=CC1=CCCC1 C69466 [0,0,0,0,0,0|1,0,3]=4 44 B7R1.1 O=CC1CCCC1 C25963 [0,0,0,0,0,0|1,0,2]=3 45 B7R1.1 OCC1=CC=NO1 K40159 [0,0,0,0,0,0|1,0,3]=4 46 B7R1.1 OCC1=CN=CO1 X14033 [0,0,0,0,0,0|1,0,3]=4 47 B7R1.1 OCC1=NC=CO1 X14019 [0,0,0,0,0,0|1,0,3]=4 48 B7R1.1 OCC1CC=CC1 C11867 [0,0,0,0,0,0|1,0,2]=3 49 B7R1.1 OCC1CCCC1 C23297 [0,0,0,0,0,0|1,0,0]=1 50 B7R1.1 OCC1OCCO1 D40256 [0,0,0,0,0,0|1,0,0]=1 51 B7R1.1 OC[C@@H]1CCCN1 P1125 [0,0,0,0,0,0|1,0,0]=1 52 B7R1.1 OC[C@@H]1CCCN1 P1542 [0,0,0,0,0,0|1,0,0]=1 53 B7R1.1 OC[C@@H]1CCCO1 T40383 [0,0,0,0,0,0|0,0,0]=0 54 B7R1.1 OC[C@@H]1CCNC1 H11286 [0,0,0,0,0,0|2,0,0]=2 55 B7R1.1 OC[C@@H]1CCNC1 P1348 [0,0,0,0,0,0|2,0,0]=2 56 B7R1.1 OC[C@@H]1CCOC1 T0397 [0,0,0,0,0,0|2,0,0]=2 57 B7R1.1 OC[C@H]1CCCN1 P14128 [0,0,0,0,0,0|1,0,0]=1 58 B7R1.1 OC[C@H]1CCCN1 P67898 [0,0,0,0,0,0|1,0,0]=1 59 B7R1.1 OC[C@H]1CCCO1 T67581 [0,0,0,0,0,0|0,0,0]=0 60 B7R1.1 OC[C@H]1CCCO1 T68627 [0,0,0,0,0,0|0,0,0]=0 61 B7R1.1 OC[C@H]1CCNC1 H1594 [0,0,0,0,0,0|2,0,0]=2 62 B7R1.1 OC[C@H]1CCNC1 H7915 [0,0,0,0,0,0|2,0,0]=2 63 B7R1.1 OC[C@H]1CCNC1 P1155 [0,0,0,0,0,0|2,0,0]=2 64 B7R1.1 OC[C@H]1CCNC1 P41328 [0,0,0,0,0,0|2,0,0]=2 65 B7R1.1 OC[C@H]1CCNC1 P6954 [0,0,0,0,0,0|2,0,0]=2 66 B7R1.1 OC[C@H]1CCOC1 T0396 [0,0,0,0,0,0|2,0,0]=2 67 B7R1.1 OC[C@H]1CCOC1 T0398 [0,0,0,0,0,0|2,0,0]=2 68 B6R1.2 Br[C@H]1CCNC1 B40246 [1,0,0,0,0,0|3,0,0]=4 69 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,0,0,0|3,0,0]=4 70 B6R1.2 CC1=NCCC1 M41239 [1,0,0,0,0,0|1,0,1]=3 71 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,0,0,0|1,0,0]=2 72 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,0,0,0|1,0,0]=2 74 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,0,0,0|1,0,0]=2 75 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,0,0,0|1,0,0]=2 76 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,0,0,0|2,0,0]=3 77 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,0,0,0|2,0,0]=3 78 B6R1.2 F[C@@H]1CCNC1 F7494 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 F[C@H]1CCNC1 F0136 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 F[C@H]1CCNC1 F7493 [1,0,0,0,0,0|3,0,0]=4 81 B6R1.2 IC1CCCC1 I20419 [1,0,0,0,0,0|2,0,0]=3 82 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 NC1=NCCC1 D38561 [1,0,0,0,0,0|2,0,1]=4 86 B6R1.2 N[C@@H]1CCNC1 P16877 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 N[C@@H]1CCNC1 P16878 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 N[C@H]1CCNC1 P16879 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 N[C@H]1CCNC1 P68854 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,0,0,0|3,0,0]=4 93 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,0,0,0|3,0,0]=4 94 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,0,0,0|3,0,0]=4 95 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,0,0,0|3,0,0]=4 96 B6R1.2 OC1CC=CC1 C67522 [1,0,0,0,0,0|1,0,2]=4 97 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,0,0,0|2,0,0]=3 98 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,0,0,0|2,0,0]=3 99 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,0,0,0|2,0,0]=3 100 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,0,0,0|2,0,0]=3 101 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,0,0,0|2,0,0]=3 102 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,0,0,0|2,0,0]=3 103 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,0,0,0|2,0,0]=3 104 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,0,0,0|2,0,0]=3 105 B6R1.2 O[C@H]1CNOC1 K39924 [1,0,0,0,0,0|3,0,0]=4 106 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,0,0,0|3,0,0]=4 107 B8R1.1 CCN1CC[C@@H](N)C1 E29600 [0,1,0,0,0,0|3,0,0]=4 108 B8R1.1 CCN1CC[C@H](Cl)C1 C41542 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.1 CCN1CC[C@H](N)C1 E29616 [0,1,0,0,0,0|3,0,0]=4 110 B8R1.1 CCN1CC[C@H](O)C1 E41574 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.1 CN1CC[C@@H](CN)C1 M13066 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.1 CN1CC[C@@H](CN)C1 M30093 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [0,1,0,0,0,0|2,0,0]=3 114 B8R1.1 CN1CC[C@H](CN)C1 M13065 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.1 CN1CC[C@H](CO)C1 H7260 [0,1,0,0,0,0|2,0,0]=3 116 B8R1.1 COC1CCC(N)C1 M27196 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,0,0,0|2,0,1]=4 118 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,1,0,0,0,0|2,0,1]=4 119 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,0,0,0|2,0,1]=4 120 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,1,0,0,0,0|2,0,1]=4 121 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,1,0,0,0,0|2,0,1]=4 122 B8R1.1 N[C@H]1C=C[C@@H](CO)C1 A43437 [0,1,0,0,0,0|1,0,1]=3 123 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,0,0,0|2,0,1]=4 124 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,0,0,0|1,0,1]=3 125 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,0,0,0|0,0,1]=2 126 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,0,0,0|2,0,1]=4 127 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,0,0,0|1,0,1]=3 128 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,0,0,0|2,0,1]=4 129 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,0,0,0|1,0,1]=3 130 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,0,0,0|1,0,1]=3 131 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,0,0,0|1,0,1]=3 132 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,0,0,0|0,0,1]=2 133 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,0,0,0|2,0,1]=4 134 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,1,0,0,0,0|2,0,1]=4 135 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,0,0,0|1,0,1]=3 136 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,0,0,0|1,0,1]=3 137 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,0,0,0|2,0,1]=4 138 B8R1.1 OC[C@@H]1C[C@@H](O)CN1 H23845 [0,1,0,0,0,0|1,0,0]=2 139 B8R1.1 OC[C@@H]1C[C@H](O)CO1 H40394 [0,1,0,0,0,0|0,0,0]=1 140 B8R1.1 OC[C@H]1C[C@@H](O)CN1 H41336 [0,1,0,0,0,0|1,0,0]=2 141 B8R1.7 CC(=O)C1CCCC1 C69351 [0,1,0,0,0,0|1,0,2]=4 142 B8R1.7 CC(C)[C@@H]1CCCN1 P29867 [0,1,0,0,0,0|2,0,0]=3 143 B8R1.7 CC(C)[C@H]1CCCN1 P29967 [0,1,0,0,0,0|2,0,0]=3 144 B8R1.7 CC(O)C1CCNC1 P61134 [0,1,0,0,0,0|2,0,0]=3 145 B8R1.7 C[C@H](N)C1CCCC1 C31670 [0,1,0,0,0,0|2,0,0]=3 146 B8R1.7 FC(F)[C@@H]1CCCN1 D19357 [0,1,0,0,0,0|2,0,0]=3 147 B8R1.7 FC(F)[C@@H]1CCCN1 D19603 [0,1,0,0,0,0|2,0,0]=3 148 B8R1.7 FC(F)[C@H]1CCNC1 D19206 [0,1,0,0,0,0|3,0,0]=4 149 B8R1.7 N=C(N)[C@@H]1CCCN1 P69767 [0,1,0,0,0,0|2,0,1]=4 150 B8R1.7 N=C(N)[C@@H]1CCCO1 T41316 [0,1,0,0,0,0|1,0,1]=3 151 B8R1.7 NC(=O)[C@@H]1CCCN1 P23637 [0,1,0,0,0,0|1,0,2]=4 152 B8R1.7 NC(=O)[C@@H]1CCCN1 P64914 [0,1,0,0,0,0|1,0,2]=4 153 B8R1.7 NC(=O)[C@@H]1CCCN1 P67734 [0,1,0,0,0,0|1,0,2]=4 154 B8R1.7 NC(=O)[C@H]1CCCN1 P40370 [0,1,0,0,0,0|1,0,2]=4 155 B8R1.7 O=C(O)C1=CCCC1 C43305 [0,1,0,0,0,0|1,0,2]=4 156 B8R1.7 O=C(O)C1CCCC1 C23144 [0,1,0,0,0,0|1,0,1]=3 157 B8R1.7 O=C(O)[C@@H]1CCCN1 P69799 [0,1,0,0,0,0|1,0,1]=3 158 B8R1.7 O=C(O)[C@@H]1CCCO1 T37842 [0,1,0,0,0,0|0,0,1]=2 159 B8R1.7 O=C(O)[C@@H]1CCCO1 X25975 [0,1,0,0,0,0|0,0,1]=2 160 B8R1.7 O=C(O)[C@@H]1CCCS1 T41225 [0,1,0,0,0,0|0,1,1]=3 161 B8R1.7 O=C(O)[C@@H]1CCNC1 P12309 [0,1,0,0,0,0|2,0,1]=4 162 B8R1.7 O=C(O)[C@@H]1CCNC1 P6961 [0,1,0,0,0,0|2,0,1]=4 163 B8R1.7 O=C(O)[C@@H]1CCOC1 T1673 [0,1,0,0,0,0|2,0,1]=4 164 B8R1.7 O=C(O)[C@@H]1COCN1 X40338 [0,1,0,0,0,0|2,0,1]=4 165 B8R1.7 O=C(O)[C@H]1CCCO1 T25974 [0,1,0,0,0,0|0,0,1]=2 166 B8R1.7 O=C(O)[C@H]1CCNC1 P1152 [0,1,0,0,0,0|2,0,1]=4 167 B8R1.7 O=C(O)[C@H]1CCNC1 P1524 [0,1,0,0,0,0|2,0,1]=4 168 B8R1.7 O=C(O)[C@H]1CCNC1 P15767 [0,1,0,0,0,0|2,0,1]=4 169 B8R1.7 O=C(O)[C@H]1CCNC1 P41372 [0,1,0,0,0,0|2,0,1]=4 170 B8R1.7 O=C(O)[C@H]1CCOC1 T0394 [0,1,0,0,0,0|2,0,1]=4 171 B8R1.7 O=C(O)[C@H]1CCOC1 T0395 [0,1,0,0,0,0|2,0,1]=4 172 B8R1.7 O=C(O)[C@H]1CSCN1 T63317 [0,1,0,0,0,0|2,0,1]=4 173 B8R1.7 OB(O)C1=CCCC1 C41265 [0,1,0,0,0,0|2,0,1]=4 174 B8R1.7 OB(O)C1CCCC1 C2400 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.8 BrCCC1OCCO1 B41267 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.8 C#CCN1CCCC1 P46471 [0,1,0,0,0,0|3,0,0]=4 177 B8R1.8 CCO[C@@H]1CCNC1 E13930 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.8 CCO[C@H]1CCNC1 E14045 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.8 CNC[C@H]1CCOC1 M1347 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.8 COC[C@@H]1CCCN1 M14243 [0,1,0,0,0,0|1,0,0]=2 181 B8R1.8 COC[C@@H]1CCNC1 M14792 [0,1,0,0,0,0|2,0,0]=3 182 B8R1.8 COC[C@@H]1CCNC1 M31656 [0,1,0,0,0,0|2,0,0]=3 183 B8R1.8 COC[C@H]1CCCN1 M14242 [0,1,0,0,0,0|1,0,0]=2 184 B8R1.8 COC[C@H]1CCNC1 M14793 [0,1,0,0,0,0|2,0,0]=3 185 B8R1.8 COC[C@H]1CCNC1 M26667 [0,1,0,0,0,0|2,0,0]=3 186 B8R1.8 COC[C@H]1CCNC1 M41581 [0,1,0,0,0,0|2,0,0]=3 187 B8R1.8 ClCCN1CCCC1 C41544 [0,1,0,0,0,0|3,0,0]=4 188 B8R1.8 N#CCN1CCCC1 C43583 [0,1,0,0,0,0|3,0,0]=4 189 B8R1.8 N#CCN1CCCC1 P38197 [0,1,0,0,0,0|3,0,0]=4 190 B8R1.8 NCCC1CCCC1 C46503 [0,1,0,0,0,0|2,0,0]=3 191 B8R1.8 NCCN1CCCC1 P41605 [0,1,0,0,0,0|3,0,0]=4 192 B8R1.8 NCC[C@H]1CCCO1 T1128 [0,1,0,0,0,0|1,0,0]=2 193 B8R1.8 OCC[C@H]1CCCN1 P11010 [0,1,0,0,0,0|1,0,0]=2 194 B8R1.8 OCC[C@H]1CCNC1 P29904 [0,1,0,0,0,0|2,0,0]=3 195 B8R1.8 [N-]=[N+]=NC1CCCC1 A5984 [0,1,0,0,0,0|3,0,0]=4 196 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,0,0,0|2,0,0]=3 197 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,1,0,0,0,0|2,0,0]=3 198 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,1,0,0,0,0|1,0,0]=2 199 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,1,0,0,0,0|1,0,0]=2 200 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,1,0,0,0,0|2,0,0]=3 201 B8R1.11 CN1CCC[C@H]1CN M0297 [0,1,0,0,0,0|2,0,0]=3 202 B8R1.11 CN1CCC[C@H]1CN M43564 [0,1,0,0,0,0|2,0,0]=3 203 B8R1.11 CN1CCC[C@H]1CO M12480 [0,1,0,0,0,0|1,0,0]=2 204 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.11 C[C@@H]1CNC[C@H]1CO M41583 [0,1,0,0,0,0|2,0,0]=3 206 B8R1.11 C[C@H]1CNC[C@@H]1CO M60070 [0,1,0,0,0,0|2,0,0]=3 207 B8R1.11 N#C[C@@H]1CCC[C@@H]1N A13659 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.11 N#C[C@H]1CCC[C@H]1N A20201 [0,1,0,0,0,0|2,0,1]=4 209 B8R1.11 NC[C@@H]1COC[C@H]1O A20782 [0,1,0,0,0,0|3,0,0]=4 210 B8R1.11 NC[C@H]1COC[C@H]1O A20734 [0,1,0,0,0,0|3,0,0]=4 211 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,0,0,0|1,0,0]=2 212 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,0,0,0|2,0,0]=3 213 B8R1.52 CC1(CBr)OCCO1 B5418 [0,1,0,0,0,0|2,0,0]=3 214 B8R1.52 CC1(CN)OCCO1 M40413 [0,1,0,0,0,0|2,0,0]=3 215 B8R1.52 CC1(CO)OCCO1 M37741 [0,1,0,0,0,0|1,0,0]=2 216 B8R1.52 CC[N+]1(C)CCCC1 E46620 [0,1,0,0,0,0|3,0,0]=4 217 B8R1.52 C[C@@]1(CO)CCCN1 M27669 [0,1,0,0,0,0|1,0,0]=2 218 B8R1.52 C[C@]1(CBr)CCOC1 B13265 [0,1,0,0,0,0|3,0,0]=4 219 B8R1.52 C[C@]1(CN)CCCO1 M31869 [0,1,0,0,0,0|1,0,0]=2 220 B8R1.52 C[C@]1(CN)CCNC1 M1124 [0,1,0,0,0,0|3,0,0]=4 221 B8R1.52 C[C@]1(CN)CCOC1 A11774 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.52 C[C@]1(CO)CCCN1 M27670 [0,1,0,0,0,0|1,0,0]=2 223 B8R1.52 C[C@]1(CO)CCOC1 M13264 [0,1,0,0,0,0|2,0,0]=3 224 B8R1.52 NCC1(F)CCCC1 F60053 [0,1,0,0,0,0|2,0,0]=3 225 B8R1.52 NCC1(O)CCCC1 A1151 [0,1,0,0,0,0|2,0,0]=3 226 B8R1.52 NCC1(O)CCCC1 A43483 [0,1,0,0,0,0|2,0,0]=3 227 B8R1.52 N[C@@]1(CO)CCOC1 A11595 [0,1,0,0,0,0|2,0,0]=3 228 B8R1.52 OC[C@]1(O)CCNC1 H14632 [0,1,0,0,0,0|2,0,0]=3 229 B8R1.52 OC[C@]1(O)CCNC1 H31243 [0,1,0,0,0,0|2,0,0]=3 230 B8R1.52 O[C@@]1(CF)CCNC1 F27103 [0,1,0,0,0,0|3,0,0]=4 231 B6R0.1 C=CC[C@@H](N)CO A41325 [0,0,1,0,0,0|1,0,2]=4 232 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,1,0,0,0|2,0,0]=3 233 B6R0.1 CCC[C@H](N)CO A40443 [0,0,1,0,0,0|1,0,0]=2 234 B6R0.1 CCC[C@H](N)CO A66421 [0,0,1,0,0,0|1,0,0]=2 235 B6R0.1 CCOC(=O)CN G69291 [0,0,1,0,0,0|2,0,1]=4 236 B6R0.1 CCOC(=O)CO E37817 [0,0,1,0,0,0|1,0,1]=3 237 B6R0.1 CCO\C(C)=N\O E68624 [0,0,1,0,0,0|1,0,1]=3 238 B6R0.1 CNC[C@H](O)CO M37886 [0,0,1,0,0,0|1,0,0]=2 239 B6R0.1 N#CC[C@H](O)CCl C39152 [0,0,1,0,0,0|2,0,1]=4 240 B6R0.6 BrCCNCCBr B28721 [0,0,1,0,0,0|3,0,0]=4 241 B6R0.6 C#CCCCCI K43321 [0,0,1,0,0,0|2,0,1]=4 242 B6R0.6 C#CCCCCO H41456 [0,0,1,0,0,0|1,0,1]=3 243 B6R0.6 C=CCCCCBr B9212 [0,0,1,0,0,0|2,0,1]=4 244 B6R0.6 C=CCCCCO H41549 [0,0,1,0,0,0|1,0,1]=3 245 B6R0.6 C=CCCCC[Mg+] H5025 [0,0,1,0,0,0|2,0,1]=4 246 B6R0.6 CC=CCCCO H41548 [0,0,1,0,0,0|1,0,2]=4 247 B6R0.6 CCCCCC[Mg+] H31703 [0,0,1,0,0,0|2,0,0]=3 248 B6R0.6 CCCCCNC M41618 [0,0,1,0,0,0|3,0,0]=4 249 B6R0.6 CCC\C=C\CO H41550 [0,0,1,0,0,0|1,0,1]=3 250 B6R0.6 CNCCCCBr B40429 [0,0,1,0,0,0|3,0,0]=4 251 B6R0.6 CNCCCCO M38840 [0,0,1,0,0,0|2,0,0]=3 252 B6R0.6 COCCCCBr B40422 [0,0,1,0,0,0|3,0,0]=4 253 B6R0.6 ClCCCCCBr B39164 [0,0,1,0,0,0|2,0,0]=3 254 B6R0.6 ClCCNCCCl B69332 [0,0,1,0,0,0|3,0,0]=4 255 B6R0.6 FCCCCCBr B37978 [0,0,1,0,0,0|2,0,0]=3 256 B6R0.6 ICCCCCI D24633 [0,0,1,0,0,0|2,0,0]=3 257 B6R0.6 N#CCCCCBr B41217 [0,0,1,0,0,0|2,0,1]=4 258 B6R0.6 N#CCCCCCl C69554 [0,0,1,0,0,0|2,0,1]=4 259 B6R0.6 N#CCCCCN A6983 [0,0,1,0,0,0|2,0,1]=4 260 B6R0.6 NCCNCCO A68374 [0,0,1,0,0,0|2,0,0]=3 261 B6R0.6 NCCOCCN X39968 [0,0,1,0,0,0|2,0,0]=3 262 B6R0.6 NCCOCCN X40357 [0,0,1,0,0,0|2,0,0]=3 263 B6R0.6 O=CCCCCCl C41277 [0,0,1,0,0,0|1,0,2]=4 264 B6R0.6 O=CCCCCO H32202 [0,0,1,0,0,0|0,0,2]=3 265 B6R0.6 OCCOCCCl C60784 [0,0,1,0,0,0|1,0,0]=2 266 B6R0.6 OCCOCCO D43939 [0,0,1,0,0,0|1,0,0]=2 267 B6R0.9 CCC(CC)C[Mg+] E31704 [0,0,1,0,0,0|2,0,0]=3 268 B6R0.9 COC(C=O)OC D38564 [0,0,1,0,0,0|1,0,2]=4 269 B6R0.9 COC(CBr)OC B25077 [0,0,1,0,0,0|2,0,0]=3 270 B6R0.9 COC(CN)OC D39146 [0,0,1,0,0,0|2,0,0]=3 271 B6R0.9 OCC(CO)CO H36774 [0,0,1,0,0,0|3,0,0]=4 272 B8R2.11 NC1C2COCC12 X38891 [0,0,0,1,0,0|3,0,0]=4 273 B8R2.11 N[C@@H]1[C@H]2COC[C@H]21 A13626 [0,0,0,1,0,0|3,0,0]=4 274 B8R2.11 O[C@H]1[C@@H]2CNC[C@H]12 A27611 [0,0,0,1,0,0|2,0,0]=3 275 B8R2.22 C1CC2CNCC12 A11809 [0,0,0,1,0,0|3,0,0]=4 276 B8R2.22 C1CC2CNCC12 A15175 [0,0,0,1,0,0|3,0,0]=4 277 B8R2.34 C1=CC2CC1CN2 A13306 [0,0,0,1,0,0|2,0,1]=4 278 B8R2.34 C1=CC2CC1CN2 B30096 [0,0,0,1,0,0|2,0,1]=4 279 B8R2.34 C1CC2CCC1N2 A0698 [0,0,0,1,0,0|2,0,0]=3 280 B8R2.34 C1CC2CCC1N2 A8159 [0,0,0,1,0,0|2,0,0]=3 281 B8R2.34 C1OC2CNC1C2 X26396 [0,0,0,1,0,0|1,0,0]=2 282 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X11751 [0,0,0,1,0,0|1,0,0]=2 283 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X14975 [0,0,0,1,0,0|1,0,0]=2 284 B8R2.34 C1O[C@@H]2CN[C@H]1C2 X20221 [0,0,0,1,0,0|1,0,0]=2 285 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11749 [0,0,0,1,0,0|1,0,0]=2 286 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X11750 [0,0,0,1,0,0|1,0,0]=2 287 B8R2.34 C1O[C@H]2CN[C@@H]1C2 X20220 [0,0,0,1,0,0|1,0,0]=2 288 B8R2.55 C1CC2(CC2)CN1 A8605 [0,0,0,1,0,0|3,0,0]=4 289 B8R2.55 C1CNC2(C1)CC2 A8604 [0,0,0,1,0,0|2,0,0]=3 290 B6R1.6 BrCC1COC1 B19169 [0,0,0,0,1,0|2,0,0]=3 291 B6R1.6 BrC[C@H]1CCO1 B0614 [0,0,0,0,1,0|1,0,0]=2 292 B6R1.6 C#CC1COC1 E59987 [0,0,0,0,1,0|2,0,1]=4 293 B6R1.6 CNC1CNC1 M1333 [0,0,0,0,1,0|3,0,0]=4 294 B6R1.6 CNC1COC1 M5690 [0,0,0,0,1,0|3,0,0]=4 295 B6R1.6 CN[C@@H]1CCN1 A7337 [0,0,0,0,1,0|3,0,0]=4 296 B6R1.6 COC1CNC1 M0107 [0,0,0,0,1,0|3,0,0]=4 297 B6R1.6 CSC1CNC1 M0303 [0,0,0,0,1,0|3,0,0]=4 298 B6R1.6 FCC1CNC1 F21648 [0,0,0,0,1,0|2,0,0]=3 299 B6R1.6 ICC1CCC1 I29708 [0,0,0,0,1,0|1,0,0]=2 300 B6R1.6 ICC1COC1 I6937 [0,0,0,0,1,0|2,0,0]=3 301 B6R1.6 IC[C@H]1CCO1 I6940 [0,0,0,0,1,0|1,0,0]=2 302 B6R1.6 N#CC1CCC1 C5653 [0,0,0,0,1,0|1,0,1]=3 303 B6R1.6 N#CC1CNC1 A0188 [0,0,0,0,1,0|2,0,1]=4 304 B6R1.6 N#CC1COC1 X61554 [0,0,0,0,1,0|2,0,1]=4 305 B6R1.6 N#C[C@H]1CCN1 A60326 [0,0,0,0,1,0|2,0,1]=4 306 B6R1.6 NCC1CCC1 C0310 [0,0,0,0,1,0|1,0,0]=2 307 B6R1.6 NCC1CCC1 C1144 [0,0,0,0,1,0|1,0,0]=2 308 B6R1.6 NCC1CNC1 A13410 [0,0,0,0,1,0|2,0,0]=3 309 B6R1.6 NCC1COC1 O5691 [0,0,0,0,1,0|2,0,0]=3 310 B6R1.6 NCC1CSC1 T6978 [0,0,0,0,1,0|2,0,0]=3 311 B6R1.6 NC[C@H]1CCO1 X6187 [0,0,0,0,1,0|1,0,0]=2 312 B6R1.6 NNC1CCC1 C37776 [0,0,0,0,1,0|2,0,0]=3 313 B6R1.6 OCC1CCC1 C67424 [0,0,0,0,1,0|0,0,0]=1 314 B6R1.6 OCC1CNC1 A5874 [0,0,0,0,1,0|1,0,0]=2 315 B6R1.6 OCC1CNC1 H12177 [0,0,0,0,1,0|1,0,0]=2 316 B6R1.6 OCC1COC1 X6263 [0,0,0,0,1,0|1,0,0]=2 317 B6R1.6 OCC1CSC1 T20107 [0,0,0,0,1,0|1,0,0]=2 318 B6R1.6 OC[C@@H]1CCN1 A11256 [0,0,0,0,1,0|1,0,0]=2 319 B6R1.6 OC[C@H]1CCN1 A11255 [0,0,0,0,1,0|1,0,0]=2 320 B6R1.6 OC[C@H]1CCN1 A11257 [0,0,0,0,1,0|1,0,0]=2 321 B6R1.6 OC[C@H]1CCO1 X6188 [0,0,0,0,1,0|0,0,0]=1 322 B6R1.6 [Mg+]CC1CCC1 C5036 [0,0,0,0,1,0|1,0,0]=2 323 B8R1.2 BrCC1=CCCCC1 B10308 [0,0,0,0,0,1|2,0,1]=4 324 B8R1.2 BrCC1CCCCC1 B43832 [0,0,0,0,0,1|2,0,0]=3 325 B8R1.2 BrCC1CCNCC1 B1292 [0,0,0,0,0,1|2,0,0]=3 326 B8R1.2 BrCC1CCOCC1 B3933 [0,0,0,0,0,1|2,0,0]=3 327 B8R1.2 BrC[C@H]1CCCOC1 B8026 [0,0,0,0,0,1|1,0,0]=2 328 B8R1.2 C#CC1CCNCC1 E24220 [0,0,0,0,0,1|2,0,1]=4 329 B8R1.2 C#CC1CCOCC1 E0568 [0,0,0,0,0,1|2,0,1]=4 330 B8R1.2 C#CC1CCSCC1 E13094 [0,0,0,0,0,1|2,0,1]=4 331 B8R1.2 C#C[C@H]1CCCNC1 E14072 [0,0,0,0,0,1|2,0,1]=4 332 B8R1.2 C#C[C@H]1CCCOC1 E14193 [0,0,0,0,0,1|1,0,1]=3 333 B8R1.2 CCC1COCCN1 O5554 [0,0,0,0,0,1|2,0,0]=3 334 B8R1.2 CCN1CCNCC1 E13368 [0,0,0,0,0,1|3,0,0]=4 335 B8R1.2 CC[C@@H]1CNCCN1 E67103 [0,0,0,0,0,1|2,0,0]=3 336 B8R1.2 CC[C@H]1CCCCN1 E46502 [0,0,0,0,0,1|2,0,0]=3 337 B8R1.2 CC[C@H]1CNCCN1 E13389 [0,0,0,0,0,1|2,0,0]=3 338 B8R1.2 CC[C@H]1CNCCN1 E13401 [0,0,0,0,0,1|2,0,0]=3 339 B8R1.2 CC[C@H]1CNCCN1 E65175 [0,0,0,0,0,1|2,0,0]=3 340 B8R1.2 CC[C@H]1COCCN1 E22377 [0,0,0,0,0,1|2,0,0]=3 341 B8R1.2 CNC1CCNCC1 M13774 [0,0,0,0,0,1|3,0,0]=4 342 B8R1.2 CNC1CCOCC1 M10218 [0,0,0,0,0,1|3,0,0]=4 343 B8R1.2 CN[C@H]1CCCNC1 M43509 [0,0,0,0,0,1|3,0,0]=4 344 B8R1.2 CN[C@H]1CCCNC1 M43560 [0,0,0,0,0,1|3,0,0]=4 345 B8R1.2 COC1CCNCC1 M0482 [0,0,0,0,0,1|3,0,0]=4 346 B8R1.2 COC1CCNCC1 M1164 [0,0,0,0,0,1|3,0,0]=4 347 B8R1.2 CO[C@@H]1CCCNC1 M10269 [0,0,0,0,0,1|3,0,0]=4 348 B8R1.2 CO[C@@H]1CCCNC1 M10270 [0,0,0,0,0,1|3,0,0]=4 349 B8R1.2 CO[C@H]1CCCNC1 M10271 [0,0,0,0,0,1|3,0,0]=4 350 B8R1.2 CO[C@H]1CCCNC1 M1167 [0,0,0,0,0,1|3,0,0]=4 351 B8R1.2 CO[C@H]1CCCNC1 M7502 [0,0,0,0,0,1|3,0,0]=4 352 B8R1.2 ClC[C@H]1CCCCN1 C41543 [0,0,0,0,0,1|2,0,0]=3 353 B8R1.2 FCC1CCNCC1 F1237 [0,0,0,0,0,1|2,0,0]=3 354 B8R1.2 FCC1CCNCC1 F14211 [0,0,0,0,0,1|2,0,0]=3 355 B8R1.2 FC[C@H]1CCCCN1 F1342 [0,0,0,0,0,1|2,0,0]=3 356 B8R1.2 ICC1CCCCC1 I38363 [0,0,0,0,0,1|2,0,0]=3 357 B8R1.2 ICC1CCOCC1 I10217 [0,0,0,0,0,1|2,0,0]=3 358 B8R1.2 I[Zn]C1CCOCC1 T31854 [0,0,0,0,0,1|3,0,0]=4 359 B8R1.2 N#CC1=CCCCO1 D43135 [0,0,0,0,0,1|1,0,2]=4 360 B8R1.2 N#CC1CCCCC1 C69224 [0,0,0,0,0,1|2,0,1]=4 361 B8R1.2 N#CC1CCCCN1 P20239 [0,0,0,0,0,1|2,0,1]=4 362 B8R1.2 N#CC1CCNCC1 C10273 [0,0,0,0,0,1|2,0,1]=4 363 B8R1.2 N#CC1CCOCC1 C1508 [0,0,0,0,0,1|2,0,1]=4 364 B8R1.2 N#CC1CCSCC1 T13089 [0,0,0,0,0,1|2,0,1]=4 365 B8R1.2 N#C[C@@H]1CCCCN1 C13305 [0,0,0,0,0,1|2,0,1]=4 366 B8R1.2 N#C[C@@H]1CCCCN1 P43432 [0,0,0,0,0,1|2,0,1]=4 367 B8R1.2 N#C[C@@H]1CCCNC1 C15044 [0,0,0,0,0,1|2,0,1]=4 368 B8R1.2 N#C[C@@H]1CNCCN1 P41397 [0,0,0,0,0,1|2,0,1]=4 369 B8R1.2 N#C[C@@H]1CNCCO1 M41361 [0,0,0,0,0,1|1,0,1]=3 370 B8R1.2 N#C[C@@H]1CNCCO1 M41363 [0,0,0,0,0,1|1,0,1]=3 371 B8R1.2 N#C[C@@H]1COCCN1 M41194 [0,0,0,0,0,1|2,0,1]=4 372 B8R1.2 N#C[C@H]1CCCNC1 C15045 [0,0,0,0,0,1|2,0,1]=4 373 B8R1.2 N#C[C@H]1CCCNC1 C1622 [0,0,0,0,0,1|2,0,1]=4 374 B8R1.2 N#C[C@H]1CNCCN1 P64311 [0,0,0,0,0,1|2,0,1]=4 375 B8R1.2 NCC1CCCCC1 C43900 [0,0,0,0,0,1|2,0,0]=3 376 B8R1.2 NCC1CCOCC1 T1166 [0,0,0,0,0,1|2,0,0]=3 377 B8R1.2 NCC1CCSCC1 T13090 [0,0,0,0,0,1|2,0,0]=3 378 B8R1.2 NC[C@@H]1CCCOC1 T14517 [0,0,0,0,0,1|1,0,0]=2 379 B8R1.2 NC[C@@H]1COCCO1 D11964 [0,0,0,0,0,1|1,0,0]=2 380 B8R1.2 NC[C@H]1CCCCN1 P68366 [0,0,0,0,0,1|2,0,0]=3 381 B8R1.2 NC[C@H]1CCCNC1 P60926 [0,0,0,0,0,1|2,0,0]=3 382 B8R1.2 NC[C@H]1CCCOC1 A14515 [0,0,0,0,0,1|1,0,0]=2 383 B8R1.2 NC[C@H]1CCCOC1 T14516 [0,0,0,0,0,1|1,0,0]=2 384 B8R1.2 NC[C@H]1CNCCO1 M61772 [0,0,0,0,0,1|1,0,0]=2 385 B8R1.2 NC[C@H]1COCCO1 D11965 [0,0,0,0,0,1|1,0,0]=2 386 B8R1.2 NC[C@H]1COCCO1 D15491 [0,0,0,0,0,1|1,0,0]=2 387 B8R1.2 NNC1CCCCC1 C43508 [0,0,0,0,0,1|3,0,0]=4 388 B8R1.2 NNC1CCOCC1 T12041 [0,0,0,0,0,1|3,0,0]=4 389 B8R1.2 NNC1CCOCC1 T64234 [0,0,0,0,0,1|3,0,0]=4 390 B8R1.2 NO[C@@H]1CCCCO1 T24832 [0,0,0,0,0,1|2,0,0]=3 391 B8R1.2 O=CC1=COCCC1 D43307 [0,0,0,0,0,1|0,0,3]=4 392 B8R1.2 O=CC1CCOCC1 T0115 [0,0,0,0,0,1|1,0,2]=4 393 B8R1.2 O=CC1CCSCC1 T31827 [0,0,0,0,0,1|1,0,2]=4 394 B8R1.2 O=C[C@@H]1CCC=CO1 D15376 [0,0,0,0,0,1|0,0,3]=4 395 B8R1.2 OCC1CCNCC1 P0766 [0,0,0,0,0,1|1,0,0]=2 396 B8R1.2 OCC1CCOCC1 H0390 [0,0,0,0,0,1|1,0,0]=2 397 B8R1.2 OCC1CCSCC1 T13093 [0,0,0,0,0,1|1,0,0]=2 398 B8R1.2 OC[C@@H]1CC=CCC1 C43800 [0,0,0,0,0,1|1,0,1]=3 399 B8R1.2 OC[C@@H]1CCCCN1 P7111 [0,0,0,0,0,1|1,0,0]=2 400 B8R1.2 OC[C@@H]1CCCCO1 X24024 [0,0,0,0,0,1|0,0,0]=1 401 B8R1.2 OC[C@@H]1CCCNC1 P41579 [0,0,0,0,0,1|1,0,0]=2 402 B8R1.2 OC[C@@H]1CCCNC1 P60999 [0,0,0,0,0,1|1,0,0]=2 403 B8R1.2 OC[C@@H]1CCCOC1 X59846 [0,0,0,0,0,1|0,0,0]=1 404 B8R1.2 OC[C@@H]1CNCCO1 M18586 [0,0,0,0,0,1|0,0,0]=1 405 B8R1.2 OC[C@@H]1COCCN1 H40409 [0,0,0,0,0,1|1,0,0]=2 406 B8R1.2 OC[C@@H]1COCCN1 M41331 [0,0,0,0,0,1|1,0,0]=2 407 B8R1.2 OC[C@@H]1COCCO1 D23560 [0,0,0,0,0,1|0,0,0]=1 408 B8R1.2 OC[C@H]1CCCCN1 H41578 [0,0,0,0,0,1|1,0,0]=2 409 B8R1.2 OC[C@H]1CCCCN1 P7110 [0,0,0,0,0,1|1,0,0]=2 410 B8R1.2 OC[C@H]1CCCNC1 P0762 [0,0,0,0,0,1|1,0,0]=2 411 B8R1.2 OC[C@H]1CCCNC1 P41576 [0,0,0,0,0,1|1,0,0]=2 412 B8R1.2 OC[C@H]1CCCOC1 H11515 [0,0,0,0,0,1|0,0,0]=1 413 B8R1.2 OC[C@H]1CCCOC1 X59849 [0,0,0,0,0,1|0,0,0]=1 414 B8R1.2 OC[C@H]1CNCCN1 P41389 [0,0,0,0,0,1|1,0,0]=2 415 B8R1.2 OC[C@H]1CNCCN1 P41390 [0,0,0,0,0,1|1,0,0]=2 416 B8R1.2 OC[C@H]1CNCCO1 M19813 [0,0,0,0,0,1|0,0,0]=1 417 B8R1.2 OC[C@H]1CNCCO1 M40407 [0,0,0,0,0,1|0,0,0]=1 418 B8R1.2 OC[C@H]1CNCCO1 M41329 [0,0,0,0,0,1|0,0,0]=1 419 B8R1.2 OC[C@H]1COCCN1 M41332 [0,0,0,0,0,1|1,0,0]=2 420 B8R1.2 OC[C@H]1COCCN1 M61069 [0,0,0,0,0,1|1,0,0]=2 421 B8R1.2 OC[C@H]1COCCN1 M61885 [0,0,0,0,0,1|1,0,0]=2 422 B8R1.2 OC[C@H]1COCCO1 D23561 [0,0,0,0,0,1|0,0,0]=1 423 B8R1.2 OC[C@H]1COCCO1 D40389 [0,0,0,0,0,1|0,0,0]=1 424 B8R1.2 ON=C1CCOCC1 T0658 [0,0,0,0,0,1|2,0,1]=4 425 B8R1.2 ON=C1CCSCC1 T6161 [0,0,0,0,0,1|2,0,1]=4 426 B8R1.2 ONC1CCCCC1 C43480 [0,0,0,0,0,1|2,0,0]=3 427 B8R1.2 [Mg+]CC1CCCCC1 C31706 [0,0,0,0,0,1|2,0,0]=3 428 B5R0.1 C=C(C)OCC E5573 [1,0,1,0,0,0|0,0,2]=4 429 B5R0.1 C=CC[C@H](C)O P62507 [1,0,1,0,0,0|0,0,2]=4 430 B5R0.1 CC#C[C@H](C)O B1790 [1,0,1,0,0,0|0,0,2]=4 431 B5R0.1 CCCB(O)O P5056 [1,0,1,0,0,0|1,0,0]=3 432 B5R0.1 CCC[C@@H](C)N P16023 [1,0,1,0,0,0|1,0,0]=3 433 B5R0.1 CCC[C@H](C)N P22363 [1,0,1,0,0,0|1,0,0]=3 434 B5R0.1 CCOC(C)=N E68065 [1,0,1,0,0,0|1,0,1]=4 435 B5R0.1 COC[C@@H](C)N M40311 [1,0,1,0,0,0|2,0,0]=4 436 B5R0.1 COC[C@@H](C)O M39959 [1,0,1,0,0,0|1,0,0]=3 437 B5R0.1 COC[C@H](C)O M61064 [1,0,1,0,0,0|1,0,0]=3 438 B5R0.1 C[C@@H](N)CCO A10772 [1,0,1,0,0,0|2,0,0]=4 439 B5R0.1 C[C@H](N)CCO A10771 [1,0,1,0,0,0|2,0,0]=4 440 B5R0.1 C[C@H](N)CCO A39964 [1,0,1,0,0,0|2,0,0]=4 441 B5R0.1 C[C@H](O)CCO B68917 [1,0,1,0,0,0|1,0,0]=3 442 B5R0.2 BrCCCCBr D69410 [1,0,1,0,0,0|2,0,0]=4 443 B5R0.2 C#CCCCO P68382 [1,0,1,0,0,0|0,0,2]=4 444 B5R0.2 C=CCCCO P36921 [1,0,1,0,0,0|0,0,2]=4 445 B5R0.2 CCCCON B40310 [1,0,1,0,0,0|2,0,0]=4 446 B5R0.2 CNCCCCl C39954 [1,0,1,0,0,0|2,0,0]=4 447 B5R0.2 CNCCCO M36844 [1,0,1,0,0,0|1,0,0]=3 448 B5R0.2 COCCCBr B68335 [1,0,1,0,0,0|2,0,0]=4 449 B5R0.2 COCCCO M69411 [1,0,1,0,0,0|1,0,0]=3 450 B5R0.2 ClCCCCI C40239 [1,0,1,0,0,0|2,0,0]=4 451 B5R0.2 ICCCCI D37834 [1,0,1,0,0,0|2,0,0]=4 452 B5R0.2 NCCCCBr B39952 [1,0,1,0,0,0|2,0,0]=4 453 B5R0.2 NCCCCN D39162 [1,0,1,0,0,0|2,0,0]=4 454 B5R0.2 OCCCCBr B67330 [1,0,1,0,0,0|1,0,0]=3 455 B5R0.2 OC\C=C\CO B64254 [1,0,1,0,0,0|0,0,2]=4 456 B5R0.3 CC(CBr)CBr D40238 [1,0,1,0,0,0|2,0,0]=4 457 B5R0.3 CC(CO)CO M60880 [1,0,1,0,0,0|1,0,0]=3 458 B5R0.3 CCC(=O)CO H36713 [1,0,1,0,0,0|0,0,2]=4 459 B5R0.3 CCC(N)CC P40440 [1,0,1,0,0,0|2,0,0]=4 460 B5R0.3 CC[C@@H](N)CO A39144 [1,0,1,0,0,0|1,0,0]=3 461 B5R0.3 CC[C@@H](O)CO B39955 [1,0,1,0,0,0|0,0,0]=2 462 B5R0.3 CC[C@H](N)CO A39145 [1,0,1,0,0,0|1,0,0]=3 463 B5R0.3 CC[C@H](O)CO B39956 [1,0,1,0,0,0|0,0,0]=2 464 B5R0.3 COC(=O)CO M67586 [1,0,1,0,0,0|1,0,1]=4 465 B5R0.3 CO[C@@H](C)CN M40313 [1,0,1,0,0,0|1,0,0]=3 466 B5R0.3 CO[C@@H](C)CO M68380 [1,0,1,0,0,0|0,0,0]=2 467 B5R0.3 CO[C@H](C)CN M40312 [1,0,1,0,0,0|1,0,0]=3 468 B5R0.3 CO[C@H](C)CO M68381 [1,0,1,0,0,0|0,0,0]=2 469 B5R0.3 NCC(O)CN D38498 [1,0,1,0,0,0|2,0,0]=4 470 B5R0.3 NC[C@@H](O)CCl A39888 [1,0,1,0,0,0|2,0,0]=4 471 B5R0.3 NC[C@@H](O)CO A67523 [1,0,1,0,0,0|1,0,0]=3 472 B5R0.3 NC[C@H](O)CCl A36622 [1,0,1,0,0,0|2,0,0]=4 473 B5R0.3 NC[C@H](O)CCl A39887 [1,0,1,0,0,0|2,0,0]=4 474 B5R0.3 NC[C@H](O)CF A28629 [1,0,1,0,0,0|2,0,0]=4 475 B5R0.3 NC[C@H](O)CO A38562 [1,0,1,0,0,0|1,0,0]=3 476 B5R0.3 NC[C@H](O)CO A67451 [1,0,1,0,0,0|1,0,0]=3 477 B5R0.3 O=C[C@H](O)CO D39873 [1,0,1,0,0,0|1,0,1]=4 478 B5R0.3 OC[C@@H](O)CCl C69122 [1,0,1,0,0,0|1,0,0]=3 479 B5R0.3 OC[C@@H](O)CF F60905 [1,0,1,0,0,0|1,0,0]=3 480 B5R0.3 OC[C@H](O)CCl C68371 [1,0,1,0,0,0|1,0,0]=3 481 B5R0.3 OC[C@H](O)CF F60904 [1,0,1,0,0,0|1,0,0]=3 482 B5R1.1 C1CNNC1 P39938 [2,0,0,0,0,0|2,0,0]=4 483 B5R1.1 C1CSCN1 T38217 [2,0,0,0,0,0|1,1,0]=4 484 B5R1.1 C1CSCN1 T60563 [2,0,0,0,0,0|1,1,0]=4 485 B7R0.2 CC(C)C[C@@H](N)CO L41620 [0,1,1,0,0,0|1,0,0]=3 486 B7R0.2 CC(C)C[C@H](N)CO A68907 [0,1,1,0,0,0|1,0,0]=3 487 B7R0.2 CC(C)OC(=O)CO I38145 [0,1,1,0,0,0|1,0,1]=4 488 B7R0.2 CN(C)C[C@H](O)CO D68905 [0,1,1,0,0,0|1,0,0]=3 489 B7R0.3 CCCC[C@@H](N)CO A43512 [0,1,1,0,0,0|1,0,0]=3 490 B7R0.3 CCCC[C@@H]([Mg+])CC E31708 [0,1,1,0,0,0|2,0,0]=4 491 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,1,0,0,0|1,0,1]=4 492 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,1,0,0,0|0,0,1]=3 493 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,1,0,0,0|1,0,1]=4 494 B7R0.5 NCC[C@H](O)C(=O)O A39157 [0,1,1,0,0,0|1,0,1]=4 495 B7R0.7 CCC[C@H](N)CCO A43513 [0,1,1,0,0,0|1,0,0]=3 496 B7R0.7 CCOC(=O)CCO E36682 [0,1,1,0,0,0|1,0,1]=4 497 B7R0.7 COCC(N)COC D40447 [0,1,1,0,0,0|2,0,0]=4 498 B7R0.10 CC[C@H](C)[C@H](N)CO K68906 [0,1,1,0,0,0|1,0,0]=3 499 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,1,1,0,0,0|2,0,0]=4 500 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,1,0,0,0|1,0,1]=4 501 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,1,1,0,0,0|2,0,0]=4 502 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,1,0,0,0|1,0,1]=4 503 B7R0.1 BrCCCCCCBr D41534 [0,1,1,0,0,0|2,0,0]=4 504 B7R0.1 C#CCCCCCO H67855 [0,1,1,0,0,0|1,0,0]=3 505 B7R0.1 C=CCCCCCBr B43831 [0,1,1,0,0,0|2,0,0]=4 506 B7R0.1 CCCCCCCBr B43897 [0,1,1,0,0,0|2,0,0]=4 507 B7R0.1 CCCCCCC[Mg+] H31707 [0,1,1,0,0,0|2,0,0]=4 508 B7R0.1 COCCOCCI K40420 [0,1,1,0,0,0|1,0,0]=3 509 B7R0.1 COCCOCCN M38824 [0,1,1,0,0,0|1,0,0]=3 510 B7R0.1 ClCCCCCCBr B39200 [0,1,1,0,0,0|2,0,0]=4 511 B7R0.1 ClCCCCCCI C38559 [0,1,1,0,0,0|2,0,0]=4 512 B7R0.1 ICCCCCCI D41535 [0,1,1,0,0,0|2,0,0]=4 513 B7R0.1 N#CCOCCCO H31839 [0,1,1,0,0,0|1,0,1]=4 514 B7R0.1 NCCCCCCN H68834 [0,1,1,0,0,0|2,0,0]=4 515 B7R0.1 NCCCCCCO A36606 [0,1,1,0,0,0|1,0,0]=3 516 B7R0.1 NCCCNCCBr B40441 [0,1,1,0,0,0|2,0,0]=4 517 B7R0.1 NCCCNCCO H38578 [0,1,1,0,0,0|1,0,0]=3 518 B7R0.1 OCCCCCCBr B41603 [0,1,1,0,0,0|1,0,0]=3 519 B7R0.1 OCCCCCCCl C64682 [0,1,1,0,0,0|1,0,0]=3 520 B7R0.1 OCCCCCCI I4468 [0,1,1,0,0,0|1,0,0]=3 521 B7R0.1 [N-]=[N+]=NCCCCO A3815 [0,1,1,0,0,0|2,0,0]=4 522 B7R0.4 CC(C)CCCCBr B43898 [0,1,1,0,0,0|2,0,0]=4 523 B7R0.4 CCCCCB(O)O P38628 [0,1,1,0,0,0|2,0,0]=4 524 B7R0.4 CCCCC[C@H](C)O H43947 [0,1,1,0,0,0|1,0,0]=3 525 B7R0.4 CCCOCC(=O)O P40387 [0,1,1,0,0,0|0,0,1]=3 526 B7R0.4 CN(C)CCCCO D41621 [0,1,1,0,0,0|2,0,0]=4 527 B7R0.4 C[C@H](O)CNCCO H40448 [0,1,1,0,0,0|1,0,0]=3 528 B7R0.4 O=C(O)CCCCBr B39187 [0,1,1,0,0,0|1,0,1]=4 529 B7R0.4 O=C(O)CCCCCl C39191 [0,1,1,0,0,0|1,0,1]=4 530 B7R0.4 O=C(O)CCCCO H37199 [0,1,1,0,0,0|0,0,1]=3 531 B7R0.4 O=C(O)CNCCO H40270 [0,1,1,0,0,0|1,0,1]=4 532 B7R0.4 O=C(O)COCCCl C40236 [0,1,1,0,0,0|1,0,1]=4 533 B7R0.4 O=C([O-])CCCCO S41306 [0,1,1,0,0,0|0,0,2]=4 534 B7R0.15 CC[C@@H](CO)C(C)C E43948 [0,1,1,0,0,0|1,0,0]=3 535 B7R0.15 COC(OC)[C@H](C)Br B4889 [0,1,1,0,0,0|2,0,0]=4 536 B7R0.18 CCC(Br)(CC)CC B43899 [0,1,1,0,0,0|2,0,0]=4 537 B7R0.18 COC(C)(CBr)OC B40418 [0,1,1,0,0,0|2,0,0]=4 538 B7R0.18 COC(C)(CN)OC D32389 [0,1,1,0,0,0|2,0,0]=4 539 B7R0.18 COP(=O)(CO)OC D39894 [0,1,1,0,0,0|2,0,0]=4 540 B7R1.2 CN1CC[C@@H](N)C1 M0134 [1,1,0,0,0,0|2,0,0]=4 541 B7R1.2 CN1CC[C@@H](O)C1 H0285 [1,1,0,0,0,0|2,0,0]=4 542 B7R1.2 CN1CC[C@H](N)C1 M0133 [1,1,0,0,0,0|2,0,0]=4 543 B7R1.2 CN1CC[C@H](N)C1 M0135 [1,1,0,0,0,0|2,0,0]=4 544 B7R1.2 CN1CC[C@H](O)C1 H0283 [1,1,0,0,0,0|2,0,0]=4 545 B7R1.2 CN1CC[C@H](O)C1 H0284 [1,1,0,0,0,0|2,0,0]=4 546 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [1,1,0,0,0,0|1,0,0]=3 547 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [1,1,0,0,0,0|1,0,0]=3 548 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,1,0,0,0,0|1,0,1]=4 549 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [1,1,0,0,0,0|1,0,0]=3 550 B7R1.2 NC1CCC(O)C1 A1764 [1,1,0,0,0,0|1,0,0]=3 551 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [1,1,0,0,0,0|1,0,0]=3 552 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [1,1,0,0,0,0|1,0,0]=3 553 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [1,1,0,0,0,0|1,0,0]=3 554 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,1,0,0,0,0|0,0,2]=4 555 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [1,1,0,0,0,0|2,0,0]=4 556 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [1,1,0,0,0,0|2,0,0]=4 557 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [1,1,0,0,0,0|1,0,0]=3 558 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [1,1,0,0,0,0|2,0,0]=4 559 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [1,1,0,0,0,0|1,0,0]=3 560 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [1,1,0,0,0,0|1,0,0]=3 561 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,1,0,0,0,0|0,0,2]=4 562 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,1,0,0,0,0|1,0,1]=4 563 B7R1.2 OC1CCC(O)C1 C24450 [1,1,0,0,0,0|1,0,0]=3 564 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [1,1,0,0,0,0|1,0,0]=3 565 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [1,1,0,0,0,0|1,0,0]=3 566 B7R1.4 CN1CCCC1=S M6872 [1,1,0,0,0,0|2,0,0]=4 567 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [1,1,0,0,0,0|2,0,0]=4 568 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [1,1,0,0,0,0|2,0,0]=4 569 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,1,0,0,0,0|0,0,1]=3 570 B7R1.4 C[C@H]1CCCC1=O M41458 [1,1,0,0,0,0|1,0,0]=3 571 B7R1.4 C[C@H]1CCNC1=O M41257 [1,1,0,0,0,0|2,0,0]=4 572 B7R1.4 C[C@H]1CCOC1=O M41224 [1,1,0,0,0,0|0,0,2]=4 573 B7R1.4 NC1CCCC1O A40401 [1,1,0,0,0,0|1,0,0]=3 574 B7R1.4 NC1COCC1O A32163 [1,1,0,0,0,0|2,0,0]=4 575 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [1,1,0,0,0,0|1,0,0]=3 576 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [1,1,0,0,0,0|2,0,0]=4 577 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [1,1,0,0,0,0|2,0,0]=4 578 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [1,1,0,0,0,0|1,0,0]=3 579 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [1,1,0,0,0,0|1,0,0]=3 580 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [1,1,0,0,0,0|1,0,0]=3 581 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,1,0,0,0,0|0,0,2]=4 582 B7R1.4 N[C@@H]1COC[C@H]1O A13516 [1,1,0,0,0,0|2,0,0]=4 583 B7R1.4 N[C@@H]1COC[C@H]1O A20318 [1,1,0,0,0,0|2,0,0]=4 584 B7R1.4 N[C@@H]1COC[C@H]1O A40351 [1,1,0,0,0,0|2,0,0]=4 585 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [1,1,0,0,0,0|1,0,0]=3 586 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [1,1,0,0,0,0|1,0,0]=3 587 B7R1.4 N[C@H]1CCOC1=O A40300 [1,1,0,0,0,0|0,0,2]=4 588 B7R1.4 N[C@H]1CCOC1=O A40335 [1,1,0,0,0,0|0,0,2]=4 589 B7R1.4 N[C@H]1COC[C@@H]1O A13517 [1,1,0,0,0,0|2,0,0]=4 590 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,1,0,0,0,0|2,0,0]=4 591 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,1,0,0,0,0|2,0,0]=4 592 B7R1.4 O=C1NCC[C@H]1O H40227 [1,1,0,0,0,0|2,0,0]=4 593 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,1,0,0,0,0|0,0,2]=4 594 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [1,1,0,0,0,0|1,0,0]=3 595 B7R1.4 O[C@@H]1CNC[C@@H]1F F59931 [1,1,0,0,0,0|2,0,0]=4 596 B7R1.4 O[C@@H]1CNC[C@H]1F F11643 [1,1,0,0,0,0|2,0,0]=4 597 B7R1.4 O[C@@H]1CNC[C@H]1F F20203 [1,1,0,0,0,0|2,0,0]=4 598 B7R1.4 O[C@@H]1CNC[C@H]1O P11870 [1,1,0,0,0,0|2,0,0]=4 599 B7R1.4 O[C@H]1CNC[C@@H]1O D11637 [1,1,0,0,0,0|2,0,0]=4 600 B7R1.4 O[C@H]1CNC[C@@H]1O P11869 [1,1,0,0,0,0|2,0,0]=4 601 B7R1.4 O[C@H]1CNC[C@@H]1O P31835 [1,1,0,0,0,0|2,0,0]=4 602 B7R1.4 O[C@H]1CNC[C@H]1O D11638 [1,1,0,0,0,0|2,0,0]=4 603 B7R1.4 O[C@H]1COC[C@H]1O A10821 [1,1,0,0,0,0|2,0,0]=4 604 B7R1.14 CC1(C)CCCN1 D24602 [1,1,0,0,0,0|1,0,0]=3 605 B7R1.14 CC1(C)CCNC1 D1149 [1,1,0,0,0,0|2,0,0]=4 606 B7R1.14 CC1(O)CCCC1 M41551 [1,1,0,0,0,0|1,0,0]=3 607 B7R1.14 C[C@@]1(O)CCNC1 M23456 [1,1,0,0,0,0|2,0,0]=4 608 B7R1.14 C[C@]1(F)CCNC1 F29656 [1,1,0,0,0,0|2,0,0]=4 609 B7R1.14 C[C@]1(N)CCOC1 A11772 [1,1,0,0,0,0|2,0,0]=4 610 B7R1.14 C[C@]1(O)CCNC1 H0280 [1,1,0,0,0,0|2,0,0]=4 611 B7R1.14 C[C@]1(O)CCNC1 M10113 [1,1,0,0,0,0|2,0,0]=4 612 B7R1.14 C[C@]1(O)CCNC1 M18574 [1,1,0,0,0,0|2,0,0]=4 613 B7R1.14 C[C@]1(O)CCNC1 M59983 [1,1,0,0,0,0|2,0,0]=4 614 B7R1.14 O=S1(=O)CCCO1 X68360 [1,1,0,0,0,0|1,0,1]=4 615 B7R1.6 C=CCC1CNC1 P20750 [0,1,0,0,1,0|2,0,0]=4 616 B7R1.6 CCNC1COC1 E8452 [0,1,0,0,1,0|2,0,0]=4 617 B7R1.6 CCOC1CNC1 E41322 [0,1,0,0,1,0|2,0,0]=4 618 B7R1.6 CNCC1COC1 M8438 [0,1,0,0,1,0|2,0,0]=4 619 B7R1.6 COCC1CNC1 A0186 [0,1,0,0,1,0|1,0,0]=3 620 B7R1.6 COCC1CNC1 M1326 [0,1,0,0,1,0|1,0,0]=3 621 B7R1.6 COC[C@@H]1CCN1 M11645 [0,1,0,0,1,0|1,0,0]=3 622 B7R1.6 COC[C@@H]1CCN1 M20218 [0,1,0,0,1,0|1,0,0]=3 623 B7R1.6 COC[C@H]1CCN1 M11646 [0,1,0,0,1,0|1,0,0]=3 624 B7R1.6 COC[C@H]1CCN1 M14791 [0,1,0,0,1,0|1,0,0]=3 625 B7R1.6 ClCCN1CCC1 C11577 [0,1,0,0,1,0|2,0,0]=4 626 B7R1.6 N#CCC1CNC1 A19606 [0,1,0,0,1,0|2,0,0]=4 627 B7R1.6 NCCC1CCC1 C15341 [0,1,0,0,1,0|1,0,0]=3 628 B7R1.6 NCCN1CCC1 A25439 [0,1,0,0,1,0|2,0,0]=4 629 B7R1.6 NNCC1CCC1 C17979 [0,1,0,0,1,0|1,0,0]=3 630 B7R1.6 OCCC1COC1 X6653 [0,1,0,0,1,0|1,0,0]=3 631 B7R1.6 OCCN1CCC1 A25441 [0,1,0,0,1,0|1,0,0]=3 632 B7R1.6 OCC[C@H]1CCO1 X59677 [0,1,0,0,1,0|0,0,0]=2 633 B7R1.8 CN1CC[C@@H]1CN A14392 [0,1,0,0,1,0|2,0,0]=4 634 B7R1.8 CN1CC[C@@H]1CN A14394 [0,1,0,0,1,0|2,0,0]=4 635 B7R1.8 CN1CC[C@H]1CN A14393 [0,1,0,0,1,0|2,0,0]=4 636 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [0,1,0,0,1,0|2,0,0]=4 637 B7R1.8 NCC1CCC1F F59751 [0,1,0,0,1,0|1,0,0]=3 638 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,0,1,0|0,0,1]=3 639 B7R1.8 OCC1CCC1F F60214 [0,1,0,0,1,0|0,0,0]=2 640 B7R1.10 CCN1CC(N)C1 A11460 [0,1,0,0,1,0|2,0,0]=4 641 B7R1.10 CCN1CC(O)C1 A0524 [0,1,0,0,1,0|2,0,0]=4 642 B7R1.10 CN1CC(CN)C1 M7239 [0,1,0,0,1,0|2,0,0]=4 643 B7R1.10 CNC1CC(O)C1 M10596 [0,1,0,0,1,0|2,0,0]=4 644 B7R1.10 CN[C@H]1C[C@@H](O)C1 M27665 [0,1,0,0,1,0|2,0,0]=4 645 B7R1.10 CN[C@H]1C[C@H](O)C1 M14921 [0,1,0,0,1,0|2,0,0]=4 646 B7R1.10 CN[C@H]1C[C@H](O)C1 M15745 [0,1,0,0,1,0|2,0,0]=4 647 B7R1.10 COC1CC(N)C1 M0320 [0,1,0,0,1,0|2,0,0]=4 648 B7R1.10 CO[C@H]1C[C@@H](N)C1 SB7404 [0,1,0,0,1,0|2,0,0]=4 649 B7R1.10 CO[C@H]1C[C@H](N)C1 SB7405 [0,1,0,0,1,0|2,0,0]=4 650 B7R1.10 N#CC1CC(F)C1 F20403 [0,1,0,0,1,0|1,0,1]=4 651 B7R1.10 N#CC1CC(N)C1 A10726 [0,1,0,0,1,0|1,0,1]=4 652 B7R1.10 N#CC1CC(O)C1 H22204 [0,1,0,0,1,0|1,0,1]=4 653 B7R1.10 N#C[C@H]1C[C@@H](O)C1 H7468 [0,1,0,0,1,0|1,0,1]=4 654 B7R1.10 N#C[C@H]1C[C@H](O)C1 H60435 [0,1,0,0,1,0|1,0,1]=4 655 B7R1.10 NC1CC(CO)C1 A0314 [0,1,0,0,1,0|0,0,0]=2 656 B7R1.10 NC1CC(CO)C1 A12367 [0,1,0,0,1,0|0,0,0]=2 657 B7R1.10 NCC1CC(=O)C1 SB7355 [0,1,0,0,1,0|1,0,1]=4 658 B7R1.10 NCC1CC(O)C1 A12368 [0,1,0,0,1,0|1,0,0]=3 659 B7R1.10 NCC1CC(O)C1 A7528 [0,1,0,0,1,0|1,0,0]=3 660 B7R1.10 NC[C@H]1C[C@@H](F)C1 F14480 [0,1,0,0,1,0|1,0,0]=3 661 B7R1.10 NC[C@H]1C[C@@H](O)C1 A0603 [0,1,0,0,1,0|1,0,0]=3 662 B7R1.10 NC[C@H]1C[C@@H](O)C1 A7737 [0,1,0,0,1,0|1,0,0]=3 663 B7R1.10 NC[C@H]1C[C@H](F)C1 F11496 [0,1,0,0,1,0|1,0,0]=3 664 B7R1.10 NC[C@H]1C[C@H](O)C1 A0604 [0,1,0,0,1,0|1,0,0]=3 665 B7R1.10 NC[C@H]1C[C@H](O)C1 A10510 [0,1,0,0,1,0|1,0,0]=3 666 B7R1.10 N[C@H]1C[C@@H](CO)C1 A12639 [0,1,0,0,1,0|0,0,0]=2 667 B7R1.10 N[C@H]1C[C@@H](CO)C1 SB7650 [0,1,0,0,1,0|0,0,0]=2 668 B7R1.10 N[C@H]1C[C@H](CO)C1 A12640 [0,1,0,0,1,0|0,0,0]=2 669 B7R1.10 N[C@H]1C[C@H](CO)C1 SB7651 [0,1,0,0,1,0|0,0,0]=2 670 B7R1.10 O=C1CC(CBr)C1 B11904 [0,1,0,0,1,0|1,0,1]=4 671 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,0,1,0|0,0,1]=3 672 B7R1.10 OCC1CC(Cl)C1 C11852 [0,1,0,0,1,0|0,0,0]=2 673 B7R1.10 OCC1CC(F)C1 F31669 [0,1,0,0,1,0|0,0,0]=2 674 B7R1.10 OCC1CC(O)C1 H40382 [0,1,0,0,1,0|0,0,0]=2 675 B7R1.18 CC(=O)C1CCC1 C22926 [0,1,0,0,1,0|0,0,2]=4 676 B7R1.18 C[C@H](N)C1CCC1 C29990 [0,1,0,0,1,0|1,0,0]=3 677 B7R1.18 FC(F)C1CNC1 D13777 [0,1,0,0,1,0|2,0,0]=4 678 B7R1.18 N=C(N)C1CCC1 C11379 [0,1,0,0,1,0|1,0,1]=4 679 B7R1.18 NC(=O)C1CCC1 C36760 [0,1,0,0,1,0|0,0,2]=4 680 B7R1.18 O=C(O)C1CCC1 C39184 [0,1,0,0,1,0|0,0,1]=3 681 B7R1.18 O=C(O)C1CNC1 A0022 [0,1,0,0,1,0|1,0,1]=4 682 B7R1.18 O=C(O)C1CNC1 A62344 [0,1,0,0,1,0|1,0,1]=4 683 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,1,0,0,1,0|1,0,1]=4 684 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,1,0,0,1,0|1,0,1]=4 685 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,1,0,0,1,0|0,0,1]=3 686 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,1,0,0,1,0|0,0,1]=3 687 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,1,0,0,1,0|1,0,1]=4 688 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,1,0,0,1,0|1,0,1]=4 689 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,1,0,0,1,0|0,0,1]=3 690 B7R1.18 OB(O)C1CCC1 C38656 [0,1,0,0,1,0|1,0,0]=3 691 B7R1.25 CC1(CBr)COC1 B0548 [0,1,0,0,1,0|2,0,0]=4 692 B7R1.25 CC1(CCl)COC1 C8473 [0,1,0,0,1,0|2,0,0]=4 693 B7R1.25 CC1(CI)COC1 I1186 [0,1,0,0,1,0|2,0,0]=4 694 B7R1.25 CC1(CN)CCC1 M1145 [0,1,0,0,1,0|1,0,0]=3 695 B7R1.25 CC1(CN)CCC1 M14421 [0,1,0,0,1,0|1,0,0]=3 696 B7R1.25 CC1(CN)CNC1 M7823 [0,1,0,0,1,0|2,0,0]=4 697 B7R1.25 CC1(CN)COC1 A5692 [0,1,0,0,1,0|2,0,0]=4 698 B7R1.25 CC1(CO)CNC1 M29667 [0,1,0,0,1,0|1,0,0]=3 699 B7R1.25 CC1(CO)COC1 M6652 [0,1,0,0,1,0|1,0,0]=3 700 B7R1.25 CC1(CO)CSC1 M1298 [0,1,0,0,1,0|1,0,0]=3 701 B7R1.25 CC1(CS)COC1 M8472 [0,1,0,0,1,0|1,1,0]=4 702 B7R1.25 CCC1(N)CNC1 A14400 [0,1,0,0,1,0|2,0,0]=4 703 B7R1.25 CCC1(N)COC1 E7159 [0,1,0,0,1,0|2,0,0]=4 704 B7R1.25 CCC1(O)CNC1 E11455 [0,1,0,0,1,0|2,0,0]=4 705 B7R1.25 CCC1(O)COC1 E40380 [0,1,0,0,1,0|2,0,0]=4 706 B7R1.25 FC1(CBr)COC1 B6265 [0,1,0,0,1,0|2,0,0]=4 707 B7R1.25 FC1(CI)COC1 F8394 [0,1,0,0,1,0|2,0,0]=4 708 B7R1.25 NC1(CO)CCC1 A10610 [0,1,0,0,1,0|0,0,0]=2 709 B7R1.25 NC1(CO)CCC1 A13167 [0,1,0,0,1,0|0,0,0]=2 710 B7R1.25 NC1(CO)COC1 A6679 [0,1,0,0,1,0|1,0,0]=3 711 B7R1.25 NCC1(F)CCC1 F19982 [0,1,0,0,1,0|1,0,0]=3 712 B7R1.25 NCC1(F)COC1 A8392 [0,1,0,0,1,0|2,0,0]=4 713 B7R1.25 NCC1(N)COC1 A11911 [0,1,0,0,1,0|2,0,0]=4 714 B7R1.25 NCC1(O)CCC1 A21927 [0,1,0,0,1,0|1,0,0]=3 715 B7R1.25 NCC1(O)COC1 H7163 [0,1,0,0,1,0|2,0,0]=4 716 B7R1.25 OCC1(F)CNC1 F11720 [0,1,0,0,1,0|1,0,0]=3 717 B7R1.25 OCC1(F)COC1 F6264 [0,1,0,0,1,0|1,0,0]=3 718 B7R1.25 OCC1(O)CNC1 B30129 [0,1,0,0,1,0|1,0,0]=3 719 B7R1.25 OCC1(O)COC1 H31091 [0,1,0,0,1,0|1,0,0]=3 720 B9R1.1 CC1CCC(CO)CN1 M29794 [0,1,0,0,0,1|1,0,0]=3 721 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,1,0,0,0,1|2,0,0]=4 722 B9R1.1 CCC1CCC(O)CC1 E47155 [0,1,0,0,0,1|2,0,0]=4 723 B9R1.1 CN1CCC(CN)CC1 M7514 [0,1,0,0,0,1|2,0,0]=4 724 B9R1.1 CN1CCC(CO)CC1 M0388 [0,1,0,0,0,1|1,0,0]=3 725 B9R1.1 NC[C@H]1CC[C@@H](O)CC1 A13284 [0,1,0,0,0,1|2,0,0]=4 726 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A10700 [0,1,0,0,0,1|2,0,0]=4 727 B9R1.1 NC[C@H]1CC[C@H](O)CC1 A18732 [0,1,0,0,0,1|2,0,0]=4 728 B9R1.1 N[C@H]1CC[C@@H](CO)CC1 A12151 [0,1,0,0,0,1|1,0,0]=3 729 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A12152 [0,1,0,0,0,1|1,0,0]=3 730 B9R1.1 N[C@H]1CC[C@H](CO)CC1 A19999 [0,1,0,0,0,1|1,0,0]=3 731 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,1,0,0,0,1|1,0,1]=4 732 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,1,0,0,0,1|0,0,1]=3 733 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,1,0,0,0,1|0,0,1]=3 734 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,1,0,0,0,1|0,0,1]=3 735 B9R1.2 CC1CCCC(CO)N1 M13497 [0,1,0,0,0,1|1,0,0]=3 736 B9R1.2 CN1CCC[C@@H](CN)C1 M7250 [0,1,0,0,0,1|2,0,0]=4 737 B9R1.2 CN1CCC[C@@H](CN)C1 M7515 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.2 CN1CCC[C@@H](CO)C1 M22241 [0,1,0,0,0,1|1,0,0]=3 739 B9R1.2 CN1CCC[C@H](CN)C1 M0254 [0,1,0,0,0,1|2,0,0]=4 740 B9R1.2 CN1CCC[C@H](CN)C1 M12326 [0,1,0,0,0,1|2,0,0]=4 741 B9R1.2 CN1CCC[C@H](CN)C1 M7251 [0,1,0,0,0,1|2,0,0]=4 742 B9R1.2 CN1CCC[C@H](CO)C1 M43913 [0,1,0,0,0,1|1,0,0]=3 743 B9R1.2 CN1CCO[C@@H](CN)C1 M38222 [0,1,0,0,0,1|1,0,0]=3 744 B9R1.2 CN1CCO[C@@H](CO)C1 M62084 [0,1,0,0,0,1|0,0,0]=2 745 B9R1.2 CN1CCO[C@@H](CO)C1 M62085 [0,1,0,0,0,1|0,0,0]=2 746 B9R1.2 CN1CCO[C@H](CO)C1 M62083 [0,1,0,0,0,1|0,0,0]=2 747 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,0,0,1|2,0,0]=4 748 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,0,0,1|1,0,1]=4 749 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,0,0,1|1,0,1]=4 750 B9R1.6 C[C@H](Br)C1CCCCC1 B37545 [0,1,0,0,0,1|2,0,0]=4 751 B9R1.6 FC(F)C1CCNCC1 D1937 [0,1,0,0,0,1|2,0,0]=4 752 B9R1.6 FC(F)[C@H]1CCCNC1 D6079 [0,1,0,0,0,1|2,0,0]=4 753 B9R1.6 O=C(O)C1=CCCCO1 D43311 [0,1,0,0,0,1|0,0,2]=4 754 B9R1.6 O=C(O)C1=COCCC1 D23573 [0,1,0,0,0,1|0,0,2]=4 755 B9R1.6 O=C(O)C1CCCCC1 C64950 [0,1,0,0,0,1|1,0,1]=4 756 B9R1.6 O=C(O)C1CCNCC1 P23933 [0,1,0,0,0,1|1,0,1]=4 757 B9R1.6 O=C(O)C1CCNCC1 P24453 [0,1,0,0,0,1|1,0,1]=4 758 B9R1.6 O=C(O)C1CCOCC1 T0117 [0,1,0,0,0,1|1,0,1]=4 759 B9R1.6 O=C(O)C1CCSCC1 T13091 [0,1,0,0,0,1|1,0,1]=4 760 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43440 [0,1,0,0,0,1|1,0,1]=4 761 B9R1.6 O=C(O)[C@@H]1CCCCN1 P43443 [0,1,0,0,0,1|1,0,1]=4 762 B9R1.6 O=C(O)[C@@H]1CCCCO1 T31331 [0,1,0,0,0,1|0,0,1]=3 763 B9R1.6 O=C(O)[C@@H]1CCCNC1 P12310 [0,1,0,0,0,1|1,0,1]=4 764 B9R1.6 O=C(O)[C@@H]1CNCCN1 P10721 [0,1,0,0,0,1|1,0,1]=4 765 B9R1.6 O=C(O)[C@@H]1CNCCN1 P11877 [0,1,0,0,0,1|1,0,1]=4 766 B9R1.6 O=C(O)[C@@H]1CNCCN1 P13373 [0,1,0,0,0,1|1,0,1]=4 767 B9R1.6 O=C(O)[C@@H]1CNCCN1 P41382 [0,1,0,0,0,1|1,0,1]=4 768 B9R1.6 O=C(O)[C@@H]1CNCCO1 M41374 [0,1,0,0,0,1|0,0,1]=3 769 B9R1.6 O=C(O)[C@@H]1CNCCO1 M61070 [0,1,0,0,0,1|0,0,1]=3 770 B9R1.6 O=C(O)[C@@H]1COCCN1 M15337 [0,1,0,0,0,1|1,0,1]=4 771 B9R1.6 O=C(O)[C@@H]1COCCN1 M17082 [0,1,0,0,0,1|1,0,1]=4 772 B9R1.6 O=C(O)[C@@H]1COCCN1 M31616 [0,1,0,0,0,1|1,0,1]=4 773 B9R1.6 O=C(O)[C@@H]1COCCO1 D41234 [0,1,0,0,0,1|0,0,1]=3 774 B9R1.6 O=C(O)[C@H]1CCCCN1 P28251 [0,1,0,0,0,1|1,0,1]=4 775 B9R1.6 O=C(O)[C@H]1CCCNC1 P12311 [0,1,0,0,0,1|1,0,1]=4 776 B9R1.6 O=C(O)[C@H]1CCCNC1 P43444 [0,1,0,0,0,1|1,0,1]=4 777 B9R1.6 O=C(O)[C@H]1CCCOC1 T0697 [0,1,0,0,0,1|0,0,1]=3 778 B9R1.6 O=C(O)[C@H]1CCCSC1 T1163 [0,1,0,0,0,1|0,1,1]=4 779 B9R1.6 O=C(O)[C@H]1CNCCN1 P10722 [0,1,0,0,0,1|1,0,1]=4 780 B9R1.6 O=C(O)[C@H]1CNCCN1 P11878 [0,1,0,0,0,1|1,0,1]=4 781 B9R1.6 O=C(O)[C@H]1CNCCO1 M18388 [0,1,0,0,0,1|0,0,1]=3 782 B9R1.6 O=C(O)[C@H]1CNCCO1 M63934 [0,1,0,0,0,1|0,0,1]=3 783 B9R1.6 O=C(O)[C@H]1COCCN1 M15338 [0,1,0,0,0,1|1,0,1]=4 784 B9R1.6 O=C(O)[C@H]1COCCN1 M41376 [0,1,0,0,0,1|1,0,1]=4 785 B9R1.6 O=C(O)[C@H]1COCCO1 D41233 [0,1,0,0,0,1|0,0,1]=3 786 B9R1.6 OB(O)C1CCCCC1 C2380 [0,1,0,0,0,1|2,0,0]=4 787 B9R1.6 OB(O)C1CCSCC1 T31828 [0,1,0,0,0,1|2,0,0]=4 788 B9R1.8 BrCCC1CCCCC1 B0374 [0,1,0,0,0,1|2,0,0]=4 789 B9R1.8 BrCCC1OCCCO1 B41524 [0,1,0,0,0,1|1,0,0]=3 790 B9R1.8 C=CC[C@H]1COCCN1 A37189 [0,1,0,0,0,1|2,0,0]=4 791 B9R1.8 CCCC1CCNCC1 P49579 [0,1,0,0,0,1|2,0,0]=4 792 B9R1.8 CCC[C@H]1CCCCN1 P49580 [0,1,0,0,0,1|2,0,0]=4 793 B9R1.8 CCNC1CCOCC1 E43915 [0,1,0,0,0,1|2,0,0]=4 794 B9R1.8 CNCC1CCOCC1 M1162 [0,1,0,0,0,1|2,0,0]=4 795 B9R1.8 CNC[C@H]1CCCOC1 M13661 [0,1,0,0,0,1|1,0,0]=3 796 B9R1.8 COCC1CCNCC1 M14337 [0,1,0,0,0,1|1,0,0]=3 797 B9R1.8 COCC1CCNCC1 M26475 [0,1,0,0,0,1|1,0,0]=3 798 B9R1.8 COC[C@@H]1CNCCO1 M43500 [0,1,0,0,0,1|0,0,0]=2 799 B9R1.8 COC[C@@H]1COCCN1 M43499 [0,1,0,0,0,1|1,0,0]=3 800 B9R1.8 COC[C@H]1CCCCN1 M46509 [0,1,0,0,0,1|1,0,0]=3 801 B9R1.8 COC[C@H]1CCCCN1 M46512 [0,1,0,0,0,1|1,0,0]=3 802 B9R1.8 COC[C@H]1CNCCO1 M41585 [0,1,0,0,0,1|0,0,0]=2 803 B9R1.8 COC[C@H]1CNCCO1 M43493 [0,1,0,0,0,1|0,0,0]=2 804 B9R1.8 COC[C@H]1CNCCO1 M43498 [0,1,0,0,0,1|0,0,0]=2 805 B9R1.8 COC[C@H]1COCCN1 M43494 [0,1,0,0,0,1|1,0,0]=3 806 B9R1.8 ICCC1CCCCC1 I0264 [0,1,0,0,0,1|2,0,0]=4 807 B9R1.8 N#CCC1CCCCC1 C47050 [0,1,0,0,0,1|2,0,0]=4 808 B9R1.8 N#CCC1CCNCC1 P0816 [0,1,0,0,0,1|2,0,0]=4 809 B9R1.8 N#CCC1CCOCC1 T43772 [0,1,0,0,0,1|2,0,0]=4 810 B9R1.8 N#CC[C@@H]1CNCCN1 P59980 [0,1,0,0,0,1|2,0,0]=4 811 B9R1.8 N#CC[C@H]1CCCNC1 P0995 [0,1,0,0,0,1|2,0,0]=4 812 B9R1.8 NCCC1CCCCC1 C49581 [0,1,0,0,0,1|2,0,0]=4 813 B9R1.8 NCCC1CCOCC1 A1671 [0,1,0,0,0,1|2,0,0]=4 814 B9R1.8 NCCC1CCOCC1 T46515 [0,1,0,0,0,1|2,0,0]=4 815 B9R1.8 NNCC1CCOCC1 T18614 [0,1,0,0,0,1|2,0,0]=4 816 B9R1.8 O=CCC1CCOCC1 T12448 [0,1,0,0,0,1|1,0,1]=4 817 B9R1.8 OCCC1CCNCC1 P24598 [0,1,0,0,0,1|1,0,0]=3 818 B9R1.8 OCCC1CCOCC1 H10319 [0,1,0,0,0,1|1,0,0]=3 819 B9R1.8 OCCC1SCCCS1 D41570 [0,1,0,0,0,1|0,1,0]=3 820 B9R1.8 OCCN1CCNCC1 H13372 [0,1,0,0,0,1|2,0,0]=4 821 B9R1.8 OCC[C@@H]1CCCCN1 P16189 [0,1,0,0,0,1|1,0,0]=3 822 B9R1.8 OCC[C@@H]1CNCCN1 P43566 [0,1,0,0,0,1|1,0,0]=3 823 B9R1.8 OCC[C@H]1CCCCN1 P39300 [0,1,0,0,0,1|1,0,0]=3 824 B9R1.8 OCC[C@H]1CCCCN1 P43911 [0,1,0,0,0,1|1,0,0]=3 825 B9R1.8 OCC[C@H]1CCCCN1 P46511 [0,1,0,0,0,1|1,0,0]=3 826 B9R1.8 OCC[C@H]1CCCNC1 P69769 [0,1,0,0,0,1|1,0,0]=3 827 B9R1.8 OCC[C@H]1CNCCN1 P43565 [0,1,0,0,0,1|1,0,0]=3 828 B9R1.8 OCC[C@H]1CNCCN1 P43567 [0,1,0,0,0,1|1,0,0]=3 829 B9R1.8 [Mg+]CCC1CCCCC1 C31709 [0,1,0,0,0,1|2,0,0]=4 830 B9R1.8 [Mg+]CCC1OCCCO1 D31711 [0,1,0,0,0,1|1,0,0]=3 831 B9R1.15 CN1CCCC[C@@H]1CCl C43885 [0,1,0,0,0,1|2,0,0]=4 832 B9R1.15 CN1CCCC[C@@H]1CO M43912 [0,1,0,0,0,1|1,0,0]=3 833 B9R1.15 CN1CCCC[C@@H]1CO M43916 [0,1,0,0,0,1|1,0,0]=3 834 B9R1.15 CN1CCCC[C@H]1CO M43917 [0,1,0,0,0,1|1,0,0]=3 835 B9R1.15 CN1CCOC[C@@H]1CO M41586 [0,1,0,0,0,1|1,0,0]=3 836 B9R1.15 CN1CCOC[C@@H]1CO M62086 [0,1,0,0,0,1|1,0,0]=3 837 B9R1.15 CN1CCOC[C@H]1CO M63660 [0,1,0,0,0,1|1,0,0]=3 838 B9R1.15 CO[C@@H]1COCC[C@@H]1N M59942 [0,1,0,0,0,1|2,0,0]=4 839 B9R1.15 CO[C@@H]1COCC[C@H]1N A10508 [0,1,0,0,0,1|2,0,0]=4 840 B9R1.15 CO[C@H]1COCC[C@@H]1N A10509 [0,1,0,0,0,1|2,0,0]=4 841 B9R1.15 CO[C@H]1COCC[C@H]1N A1571 [0,1,0,0,0,1|2,0,0]=4 842 B9R1.15 C[C@H]1OCCN[C@@H]1CO M43503 [0,1,0,0,0,1|1,0,0]=3 843 B9R1.15 NC[C@@H]1CCNC[C@@H]1O A14826 [0,1,0,0,0,1|2,0,0]=4 844 B9R1.15 NC[C@@H]1CCNC[C@H]1O A15422 [0,1,0,0,0,1|2,0,0]=4 845 B9R1.15 OC[C@@H]1CCNC[C@@H]1O H15443 [0,1,0,0,0,1|1,0,0]=3 846 B9R1.15 OC[C@@H]1CCNC[C@H]1O H15444 [0,1,0,0,0,1|1,0,0]=3 847 B9R1.15 OC[C@H]1CCNC[C@H]1F F1908 [0,1,0,0,0,1|1,0,0]=3 848 B9R1.118 CC1(CN)CCOCC1 A14519 [0,1,0,0,0,1|2,0,0]=4 849 B9R1.118 CC1(CO)CCNCC1 H7952 [0,1,0,0,0,1|1,0,0]=3 850 B9R1.118 CC1(CO)CCOCC1 H14518 [0,1,0,0,0,1|1,0,0]=3 851 B9R1.118 CCC1(N)CCOCC1 E29635 [0,1,0,0,0,1|2,0,0]=4 852 B9R1.118 CCC1(O)CCNCC1 E1770 [0,1,0,0,0,1|2,0,0]=4 853 B9R1.118 CCC1(O)CCNCC1 E7766 [0,1,0,0,0,1|2,0,0]=4 854 B9R1.118 C[C@]1(CO)CCCNC1 H1804 [0,1,0,0,0,1|1,0,0]=3 855 B9R1.118 C[C@]1(CO)CCCNC1 H7938 [0,1,0,0,0,1|1,0,0]=3 856 B9R1.118 NC1(CO)CCOCC1 A1161 [0,1,0,0,0,1|1,0,0]=3 857 B9R1.118 NCC1(F)CCOCC1 A11518 [0,1,0,0,0,1|2,0,0]=4 858 B9R1.118 NCC1(F)CCOCC1 F37083 [0,1,0,0,0,1|2,0,0]=4 859 B9R1.118 NCC1(N)CCCCC1 A62273 [0,1,0,0,0,1|2,0,0]=4 860 B9R1.118 NCC1(O)CCCCC1 A63077 [0,1,0,0,0,1|2,0,0]=4 861 B9R1.118 NCC1(O)CCOCC1 A15691 [0,1,0,0,0,1|2,0,0]=4 862 B9R1.118 OC1(CF)CCNCC1 F11344 [0,1,0,0,0,1|2,0,0]=4 863 B9R1.118 OCC1(F)CCNCC1 F1707 [0,1,0,0,0,1|1,0,0]=3 864 B9R1.118 OCC1(F)CCNCC1 F36854 [0,1,0,0,0,1|1,0,0]=3 865 B9R1.118 OCC1(F)CCOCC1 H8035 [0,1,0,0,0,1|1,0,0]=3 866 B9R1.118 OCC1(O)CCNCC1 H0546 [0,1,0,0,0,1|1,0,0]=3 867 B9R1.118 OCC1(O)CCNCC1 H7646 [0,1,0,0,0,1|1,0,0]=3 868 B9R1.118 OC[C@]1(O)CCCNC1 H0769 [0,1,0,0,0,1|1,0,0]=3 869 B9R1.7 CN1CC[C@H](CCO)C1 M7517 [0,2,0,0,0,0|2,0,0]=4 870 B9R1.21 COC1CCC(OC)O1 D41557 [0,2,0,0,0,0|2,0,0]=4 871 B9R1.22 N[C@H]1C[C@H](O)[C@H](CO)C1 A66885 [0,2,0,0,0,0|1,0,0]=3 872 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [0,2,0,0,0,0|0,0,1]=3 873 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O H40397 [0,2,0,0,0,0|0,0,0]=2 874 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,2,0,0,0,0|1,0,1]=4 875 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,2,0,0,0,0|1,0,1]=4 876 B9R1.35 NC1CCC(C(=O)O)C1 A11845 [0,2,0,0,0,0|1,0,1]=4 877 B9R1.35 NC1CCC(C(=O)O)C1 A15670 [0,2,0,0,0,0|1,0,1]=4 878 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A15249 [0,2,0,0,0,0|1,0,1]=4 879 B9R1.35 N[C@@H]1CC[C@@H](C(=O)O)C1 A20649 [0,2,0,0,0,0|1,0,1]=4 880 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A15248 [0,2,0,0,0,0|1,0,1]=4 881 B9R1.35 N[C@@H]1CC[C@H](C(=O)O)C1 A43449 [0,2,0,0,0,0|1,0,1]=4 882 B9R1.35 N[C@@H]1CN[C@@H](C(=O)O)C1 A41383 [0,2,0,0,0,0|1,0,1]=4 883 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 A41384 [0,2,0,0,0,0|1,0,1]=4 884 B9R1.35 N[C@H]1CC[C@@H](C(=O)O)C1 A25040 [0,2,0,0,0,0|1,0,1]=4 885 B9R1.35 N[C@H]1CC[C@H](C(=O)O)C1 A43450 [0,2,0,0,0,0|1,0,1]=4 886 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 A60941 [0,2,0,0,0,0|1,0,1]=4 887 B9R1.35 O=C(O)C1CCC(O)C1 H41473 [0,2,0,0,0,0|1,0,1]=4 888 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F24489 [0,2,0,0,0,0|1,0,1]=4 889 B9R1.35 O=C(O)[C@@H]1C[C@@H](F)CN1 F4406 [0,2,0,0,0,0|1,0,1]=4 890 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H24020 [0,2,0,0,0,0|1,0,1]=4 891 B9R1.35 O=C(O)[C@@H]1C[C@@H](O)CN1 H41377 [0,2,0,0,0,0|1,0,1]=4 892 B9R1.35 O=C(O)[C@@H]1C[C@@H](S)CN1 S60350 [0,2,0,0,0,0|1,0,1]=4 893 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13520 [0,2,0,0,0,0|1,0,1]=4 894 B9R1.35 O=C(O)[C@@H]1C[C@H](F)CN1 F13680 [0,2,0,0,0,0|1,0,1]=4 895 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 H41378 [0,2,0,0,0,0|1,0,1]=4 896 B9R1.35 O=C(O)[C@@H]1C[C@H](S)CN1 M15630 [0,2,0,0,0,0|1,0,1]=4 897 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F13522 [0,2,0,0,0,0|1,0,1]=4 898 B9R1.35 O=C(O)[C@H]1C[C@@H](F)CN1 F20223 [0,2,0,0,0,0|1,0,1]=4 899 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H15420 [0,2,0,0,0,0|1,0,1]=4 900 B9R1.35 O=C(O)[C@H]1C[C@@H](O)CN1 H29938 [0,2,0,0,0,0|1,0,1]=4 901 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F13521 [0,2,0,0,0,0|1,0,1]=4 902 B9R1.35 O=C(O)[C@H]1C[C@H](F)CN1 F4408 [0,2,0,0,0,0|1,0,1]=4 903 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 H41373 [0,2,0,0,0,0|1,0,1]=4 904 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,2,0,0,0,0|0,0,2]=4 905 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,2,0,0,0,0|0,0,2]=4 906 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,2,0,0,0,0|0,0,2]=4 907 B9R1.132 CN1CC[C@H](CO)C1=O H41509 [0,2,0,0,0,0|2,0,0]=4 908 B9R1.133 CC1(C)CN[C@@H](CO)C1 D43918 [0,2,0,0,0,0|1,0,0]=3 909 B9R1.133 CC1(C)OC[C@@H](CCl)O1 C41528 [0,2,0,0,0,0|2,0,0]=4 910 B9R1.133 CC1(C)OC[C@@H](CN)O1 D67711 [0,2,0,0,0,0|2,0,0]=4 911 B9R1.133 CC1(C)OC[C@@H](CO)O1 D68020 [0,2,0,0,0,0|1,0,0]=3 912 B9R1.133 CC1(C)OC[C@H](CCl)O1 C0538 [0,2,0,0,0,0|2,0,0]=4 913 B9R1.133 CC1(C)OC[C@H](CCl)O1 C67510 [0,2,0,0,0,0|2,0,0]=4 914 B9R1.133 CC1(C)OC[C@H](CI)O1 K41530 [0,2,0,0,0,0|2,0,0]=4 915 B9R1.133 CC1(C)OC[C@H](CN)O1 D43504 [0,2,0,0,0,0|2,0,0]=4 916 B9R1.133 CC1(C)OC[C@H](CN)O1 D63086 [0,2,0,0,0,0|2,0,0]=4 917 B9R1.133 CC1(C)OC[C@H](CO)O1 D41561 [0,2,0,0,0,0|1,0,0]=3 918 B9R1.133 CC1(C)OC[C@H](CO)O1 D69140 [0,2,0,0,0,0|1,0,0]=3 919 B9R1.133 NC[C@@H]1CCC(F)(F)C1 D14946 [0,2,0,0,0,0|2,0,0]=4 920 B9R1.133 NC[C@@H]1CCC(F)(F)C1 D59854 [0,2,0,0,0,0|2,0,0]=4 921 B9R1.133 NC[C@H]1CCC(F)(F)C1 D14015 [0,2,0,0,0,0|2,0,0]=4 922 B9R1.133 NC[C@H]1CCC(F)(F)C1 D14947 [0,2,0,0,0,0|2,0,0]=4 923 B9R1.133 NC[C@H]1CCC(F)(F)C1 D29738 [0,2,0,0,0,0|2,0,0]=4 924 B9R1.133 NC[C@H]1CCC(F)(F)C1 D59841 [0,2,0,0,0,0|2,0,0]=4 925 B9R1.133 OC[C@@H]1CC(F)(F)CN1 H14535 [0,2,0,0,0,0|1,0,0]=3 926 B9R1.133 OC[C@@H]1CCC(F)(F)C1 D14945 [0,2,0,0,0,0|1,0,0]=3 927 B9R1.133 OC[C@H]1CC(F)(F)CN1 H15114 [0,2,0,0,0,0|1,0,0]=3 928 B9R1.133 OC[C@H]1CCC(F)(F)C1 D11725 [0,2,0,0,0,0|1,0,0]=3 929 B9R1.133 OC[C@H]1CCC(F)(F)C1 D14953 [0,2,0,0,0,0|1,0,0]=3 930 B9R1.11 COC(=O)C1CCCC1 M43805 [0,2,0,0,0,0|1,0,1]=4 931 B9R1.11 COC(=O)[C@@H]1CCCN1 M38491 [0,2,0,0,0,0|1,0,1]=4 932 B9R1.19 CC(C)(O)[C@@H]1CCCN1 P26516 [0,2,0,0,0,0|1,0,0]=3 933 B9R1.19 CC(C)(O)[C@@H]1CCNC1 P11558 [0,2,0,0,0,0|2,0,0]=4 934 B9R1.19 CC(C)(O)[C@H]1CCCN1 P46514 [0,2,0,0,0,0|1,0,0]=3 935 B9R1.19 CC(C)(O)[C@H]1CCNC1 P11559 [0,2,0,0,0,0|2,0,0]=4 936 B9R1.19 CC(C)(O)[C@H]1CCNC1 P14634 [0,2,0,0,0,0|2,0,0]=4 937 B9R1.19 O=S(=O)(O)C1CCCC1 C29755 [0,2,0,0,0,0|2,0,0]=4 938 B9R1.41 CN1CCC[C@@H]1C(=O)O M24378 [0,2,0,0,0,0|1,0,1]=4 939 B9R1.41 CN1CCC[C@@H]1C(=O)O M29559 [0,2,0,0,0,0|1,0,1]=4 940 B9R1.41 CN1CCC[C@@H]1C(=O)O M43438 [0,2,0,0,0,0|1,0,1]=4 941 B9R1.41 CN1CCC[C@H]1C(=O)O M22169 [0,2,0,0,0,0|1,0,1]=4 942 B9R1.41 CN1CCC[C@H]1C(=O)O M24873 [0,2,0,0,0,0|1,0,1]=4 943 B9R1.41 CN1CCC[C@H]1C(=O)O M43447 [0,2,0,0,0,0|1,0,1]=4 944 B9R1.41 N[C@H]1CCC[C@@H]1C(=O)O A23278 [0,2,0,0,0,0|1,0,1]=4 945 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H13252 [0,2,0,0,0,0|1,0,1]=4 946 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H23787 [0,2,0,0,0,0|1,0,1]=4 947 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27028 [0,2,0,0,0,0|1,0,1]=4 948 B9R1.41 O=C(O)[C@@H]1NCC[C@@H]1O H27029 [0,2,0,0,0,0|1,0,1]=4 949 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H13665 [0,2,0,0,0,0|1,0,1]=4 950 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1O H27030 [0,2,0,0,0,0|1,0,1]=4 951 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H14383 [0,2,0,0,0,0|1,0,1]=4 952 B9R1.41 O=C(O)[C@H]1NCC[C@@H]1O H27031 [0,2,0,0,0,0|1,0,1]=4 953 B9R1.41 O=C(O)[C@H]1NCC[C@H]1O H13249 [0,2,0,0,0,0|1,0,1]=4 954 B9R1.163 C[C@@]1(C(=O)O)CCCN1 M20146 [0,2,0,0,0,0|1,0,1]=4 955 B9R1.163 C[C@]1(C(=O)O)CCCN1 M17794 [0,2,0,0,0,0|1,0,1]=4 956 B9R1.163 C[C@]1(C(=O)O)CCCN1 M7933 [0,2,0,0,0,0|1,0,1]=4 957 B9R1.163 O=C(O)C1(F)CCCC1 F38406 [0,2,0,0,0,0|1,0,1]=4 958 B9R1.163 O=C(O)C1(O)CCCC1 H41472 [0,2,0,0,0,0|1,0,1]=4 959 B9R1.12 C#CCCC1OCCO1 B5679 [0,2,0,0,0,0|2,0,0]=4 960 B9R1.12 COCC[C@H]1CCCN1 M9079 [0,2,0,0,0,0|1,0,0]=3 961 B9R1.12 ClCCCC1OCCO1 C69086 [0,2,0,0,0,0|2,0,0]=4 962 B9R1.12 OCCCN1CCCC1 P43909 [0,2,0,0,0,0|2,0,0]=4 963 B9R1.13 CN(C)C[C@@H]1CCCN1 D1126 [0,2,0,0,0,0|2,0,0]=4 964 B9R1.13 CN(C)C[C@@H]1CCCN1 D14240 [0,2,0,0,0,0|2,0,0]=4 965 B9R1.13 CN(C)C[C@H]1CCCN1 D11352 [0,2,0,0,0,0|2,0,0]=4 966 B9R1.13 O=C(O)CC1CCCC1 C16642 [0,2,0,0,0,0|1,0,0]=3 967 B9R1.13 O=C(O)CN1CCCC1 P41503 [0,2,0,0,0,0|2,0,0]=4 968 B9R1.13 O=C(O)CN1CCCC1 P43441 [0,2,0,0,0,0|2,0,0]=4 969 B9R1.13 O=C(O)C[C@@H]1CCCN1 H14057 [0,2,0,0,0,0|1,0,0]=3 970 B9R1.13 O=C(O)C[C@@H]1CCCN1 P41505 [0,2,0,0,0,0|1,0,0]=3 971 B9R1.13 O=C(O)C[C@@H]1CCNC1 P14180 [0,2,0,0,0,0|2,0,0]=4 972 B9R1.13 O=C(O)C[C@H]1CCCN1 H14056 [0,2,0,0,0,0|1,0,0]=3 973 B9R1.13 O=C(O)C[C@H]1CCCN1 P43445 [0,2,0,0,0,0|1,0,0]=3 974 B9R1.13 O=C(O)C[C@H]1CCCN1 P69047 [0,2,0,0,0,0|1,0,0]=3 975 B9R1.13 O=C(O)C[C@H]1CCNC1 P10341 [0,2,0,0,0,0|2,0,0]=4 976 B9R1.13 O=C(O)C[C@H]1CCNC1 P14181 [0,2,0,0,0,0|2,0,0]=4 977 B9R1.13 O=C(O)C[C@H]1CCNC1 P43442 [0,2,0,0,0,0|2,0,0]=4 978 B9R1.13 O=C(O)C[C@H]1CCOC1 X19979 [0,2,0,0,0,0|2,0,0]=4 979 B9R1.33 CN1CCC[C@@H]1CCN A68588 [0,2,0,0,0,0|2,0,0]=4 980 B9R1.33 CN1CCC[C@@H]1CCN M30075 [0,2,0,0,0,0|2,0,0]=4 981 B9R1.33 CN1CCC[C@@H]1CCO M24819 [0,2,0,0,0,0|1,0,0]=3 982 B9R1.33 CN1CCC[C@H]1CCN M13734 [0,2,0,0,0,0|2,0,0]=4 983 B9R1.134 CC1(CCN)OCCO1 M5779 [0,2,0,0,0,0|2,0,0]=4 984 B9R1.134 COC[C@]1(F)CCNC1 F60364 [0,2,0,0,0,0|2,0,0]=4 985 B9R1.134 N#CCC1(N)CCCC1 A46479 [0,2,0,0,0,0|2,0,0]=4 986 B9R1.134 OCCC1(O)CCCC1 H6282 [0,2,0,0,0,0|1,0,0]=3 987 B9R1.14 CCN1CCC[C@@H]1CN A15583 [0,2,0,0,0,0|2,0,0]=4 988 B9R1.14 CCN1CCC[C@@H]1CN A15585 [0,2,0,0,0,0|2,0,0]=4 989 B9R1.14 CCN1CCC[C@H]1CN A15584 [0,2,0,0,0,0|2,0,0]=4 990 B7R1.3 BrC1CCCCC1 B69054 [0,0,1,1,0,0|2,0,0]=4 991 B7R1.3 C[C@@H]1CCCNC1 M43474 [0,0,1,1,0,0|2,0,0]=4 992 B7R1.3 C[C@@H]1CNCCN1 M10716 [0,0,1,1,0,0|2,0,0]=4 993 B7R1.3 C[C@@H]1CNCCO1 M15403 [0,0,1,1,0,0|1,0,0]=3 994 B7R1.3 C[C@@H]1CNCCO1 M28760 [0,0,1,1,0,0|1,0,0]=3 995 B7R1.3 C[C@@H]1COCCN1 M26868 [0,0,1,1,0,0|1,0,0]=3 996 B7R1.3 C[C@@H]1COCCN1 M9009 [0,0,1,1,0,0|1,0,0]=3 997 B7R1.3 C[C@H]1CCCCN1 M43475 [0,0,1,1,0,0|2,0,0]=4 998 B7R1.3 C[C@H]1CNCCN1 M10717 [0,0,1,1,0,0|2,0,0]=4 999 B7R1.3 C[C@H]1CNCCO1 M15401 [0,0,1,1,0,0|1,0,0]=3 1000 B7R1.3 C[C@H]1CNCCO1 M15402 [0,0,1,1,0,0|1,0,0]=3 1001 B7R1.3 C[C@H]1CNCCO1 M29509 [0,0,1,1,0,0|1,0,0]=3 1002 B7R1.3 C[C@H]1CNCCO1 M41323 [0,0,1,1,0,0|1,0,0]=3 1003 B7R1.3 C[C@H]1COCCN1 M23631 [0,0,1,1,0,0|1,0,0]=3 1004 B7R1.3 C[C@H]1COCCN1 M41324 [0,0,1,1,0,0|1,0,0]=3 1005 B7R1.3 C[C@H]1COCCN1 M8924 [0,0,1,1,0,0|1,0,0]=3 1006 B7R1.3 F[C@@H]1CCCNC1 F7495 [0,0,1,1,0,0|2,0,0]=4 1007 B7R1.3 F[C@H]1CCCNC1 F1651 [0,0,1,1,0,0|2,0,0]=4 1008 B7R1.3 F[C@H]1CCCNC1 F7461 [0,0,1,1,0,0|2,0,0]=4 1009 B7R1.3 NC1CCCCC1 C39283 [0,0,1,1,0,0|2,0,0]=4 1010 B7R1.3 N[C@@H]1CCCNC1 A10836 [0,0,1,1,0,0|2,0,0]=4 1011 B7R1.3 N[C@@H]1CCCNC1 P32424 [0,0,1,1,0,0|2,0,0]=4 1012 B7R1.3 N[C@@H]1CCCOC1 X18615 [0,0,1,1,0,0|1,0,0]=3 1013 B7R1.3 N[C@H]1CCCNC1 P41385 [0,0,1,1,0,0|2,0,0]=4 1014 B7R1.3 N[C@H]1CCCNC1 P67457 [0,0,1,1,0,0|2,0,0]=4 1015 B7R1.3 N[C@H]1CCCOC1 T1132 [0,0,1,1,0,0|1,0,0]=3 1016 B7R1.3 N[C@H]1CCCOC1 X17960 [0,0,1,1,0,0|1,0,0]=3 1017 B7R1.3 O=C1CCCOC1 T7026 [0,0,1,1,0,0|0,0,2]=4 1018 B7R1.3 O=C1COCCO1 D38663 [0,0,1,1,0,0|1,0,1]=4 1019 B7R1.3 OC1CCNCC1 P24137 [0,0,1,1,0,0|2,0,0]=4 1020 B7R1.3 OC1CCNCC1 P41321 [0,0,1,1,0,0|2,0,0]=4 1021 B7R1.3 OC1CCOCC1 H0389 [0,0,1,1,0,0|2,0,0]=4 1022 B7R1.3 OC1CCSCC1 H31816 [0,0,1,1,0,0|2,0,0]=4 1023 B7R1.3 OC1COCOC1 D38760 [0,0,1,1,0,0|1,0,0]=3 1024 B7R1.3 O[C@@H]1CCCNC1 H12298 [0,0,1,1,0,0|1,0,0]=3 1025 B7R1.3 O[C@@H]1CCCNC1 H1652 [0,0,1,1,0,0|1,0,0]=3 1026 B7R1.3 O[C@@H]1CCCOC1 T15984 [0,0,1,1,0,0|0,0,0]=2 1027 B7R1.3 O[C@@H]1CNCCO1 M40347 [0,0,1,1,0,0|2,0,0]=4 1028 B7R1.3 O[C@H]1CCCNC1 H0276 [0,0,1,1,0,0|1,0,0]=3 1029 B7R1.3 O[C@H]1CCCNC1 H10264 [0,0,1,1,0,0|1,0,0]=3 1030 B7R1.3 O[C@H]1CCCNC1 H10265 [0,0,1,1,0,0|1,0,0]=3 1031 B7R1.3 O[C@H]1CCCNC1 H4736 [0,0,1,1,0,0|1,0,0]=3 1032 B7R1.3 O[C@H]1CCCOC1 H11398 [0,0,1,1,0,0|0,0,0]=2 1033 B7R1.3 O[C@H]1CCCOC1 T25087 [0,0,1,1,0,0|0,0,0]=2 1034 B7R1.3 S[C@H]1CCCNC1 P15399 [0,0,1,1,0,0|1,1,0]=4 1035 B7R1.3 [Mg+]C1CCCCC1 C31701 [0,0,1,1,0,0|2,0,0]=4 1036 B7R1.5 CCC[C@@H]1ON1C M65450 [0,0,1,1,0,0|2,0,0]=4 1037 B7R1.22 CC[C@H](O)C1CC1 C29750 [0,0,1,1,0,0|1,0,0]=3 1038 B7R1.27 CC[C@]1(C)ON1C E65451 [0,0,1,1,0,0|2,0,0]=4 1039 B7R1.24 C1CCCNCC1 H64495 [0,0,1,1,0,0|2,0,0]=4 1040 B7R1.24 C1CNCCNC1 H67920 [0,0,1,1,0,0|2,0,0]=4 1041 B7R1.24 C1CNCCOC1 X1345 [0,0,1,1,0,0|1,0,0]=3 1042 B7R1.24 C1CNCCSC1 H6236 [0,0,1,1,0,0|1,1,0]=4 1043 B7R1.29 C#CC1(CO)CC1 E60229 [0,0,1,1,0,0|1,0,1]=4 1044 B7R1.29 N#CC1(CO)CC1 H41165 [0,0,1,1,0,0|2,0,0]=4 1045 B7R1.29 OCC1(CO)CC1 B3821 [0,0,1,1,0,0|2,0,0]=4 1046 B7R2.11 C1NC2CC1C2 A10797 [1,0,0,1,0,0|1,0,0]=3 1047 B7R2.11 C1NC2CC1C2 A6593 [1,0,0,1,0,0|1,0,0]=3 1048 B7R2.13 C1CC2CC2N1 A13958 [1,0,0,1,0,0|1,0,0]=3 1049 B7R2.13 C1CC2CC2N1 A25593 [1,0,0,1,0,0|1,0,0]=3 1050 B7R2.13 C1NCC2CC12 A13737 [1,0,0,1,0,0|2,0,0]=4 1051 B7R2.13 C1NCC2CC12 A1579 [1,0,0,1,0,0|2,0,0]=4 1052 B7R2.13 C1OCC2OC12 E12004 [1,0,0,1,0,0|2,0,0]=4 1053 B7R2.16 C1CC12CNC2 A21417 [0,0,0,1,1,0|2,0,0]=4 1054 B9R2.49 C1CC2CCC1CN2 A11448 [0,0,0,1,0,1|2,0,0]=4 1055 B9R2.49 C1CC2CCC1CN2 A8975 [0,0,0,1,0,1|2,0,0]=4 1056 B9R2.49 C1CC2CNC1CO2 X11762 [0,0,0,1,0,1|1,0,0]=3 1057 B9R2.49 C1CN2CCC1CC2 Q68615 [0,0,0,1,0,1|2,0,0]=4 1058 B9R2.50 C1CNC2CNC2C1 D14370 [0,0,0,1,0,1|2,0,0]=4 1059 B9R2.53 OC1C2CNCC1C2 A13735 [0,0,0,1,0,1|1,0,0]=3 1060 B9R2.53 OC1C2CNCC1C2 A7297 [0,0,0,1,0,1|1,0,0]=3 1061 B9R2.56 OCC12CNCC1C2 A11517 [0,0,0,1,0,1|1,0,0]=3 1062 B9R2.56 OCC12CNCC1C2 A14525 [0,0,0,1,0,1|1,0,0]=3 1063 B9R2.65 NC[C@H]1[C@@H]2COC[C@H]12 X13543 [0,0,0,1,0,1|2,0,0]=4 1064 B9R2.65 OC[C@@H]1[C@H]2CNC[C@H]21 A10413 [0,0,0,1,0,1|1,0,0]=3 1065 B9R2.65 OC[C@H]1[C@@H]2COC[C@H]12 X10839 [0,0,0,1,0,1|1,0,0]=3 1066 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E13455 [0,0,0,1,0,1|1,0,0]=3 1067 B9R2.65 OC[C@H]1[C@H]2CNC[C@@H]12 E31654 [0,0,0,1,0,1|1,0,0]=3 1068 B9R2.68 C1CC2CCC(C1)N2 A1635 [0,0,0,1,0,1|2,0,0]=4 1069 B9R2.68 C1CC2CCC(C1)N2 A29908 [0,0,0,1,0,1|2,0,0]=4 1070 B9R2.68 C1CC2CNCC1N2 D43558 [0,0,0,1,0,1|2,0,0]=4 1071 B9R2.68 C1CC2CNCC1O2 X14974 [0,0,0,1,0,1|1,0,0]=3 1072 B9R2.68 C1CC2CNCC1O2 X6234 [0,0,0,1,0,1|1,0,0]=3 1073 B9R2.68 C1CC2COCC1N2 X11304 [0,0,0,1,0,1|2,0,0]=4 1074 B9R2.68 C1CC2COCC1N2 X14120 [0,0,0,1,0,1|2,0,0]=4 1075 B9R2.68 C1CN2CCC(C2)N1 D11752 [0,0,0,1,0,1|2,0,0]=4 1076 B9R2.68 C1CN2CC[C@@H](C2)N1 D14976 [0,0,0,1,0,1|2,0,0]=4 1077 B9R2.68 C1CN2CC[C@H](C2)N1 D11753 [0,0,0,1,0,1|2,0,0]=4 1078 B9R2.70 OC[C@H]1NC[C@@H]2C[C@H]12 A30151 [0,0,0,1,0,1|1,0,0]=3 1079 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A1762 [0,0,0,1,0,1|1,0,0]=3 1080 B9R2.70 OC[C@H]1NC[C@H]2C[C@H]21 A27172 [0,0,0,1,0,1|1,0,0]=3 1081 B9R2.123 NC1C2CCCCC12 B60253 [0,0,0,1,0,1|2,0,0]=4 1082 B9R2.174 C1CC2(CCN1)CC2 A8606 [0,0,0,1,0,1|2,0,0]=4 1083 B9R2.174 C1CC2(CCO1)CO2 D22002 [0,0,0,1,0,1|1,0,0]=3 1084 B9R2.174 C1CNC2(CC2)CN1 D13994 [0,0,0,1,0,1|2,0,0]=4 1085 B9R2.174 C1CNC2(CC2)CN1 D19927 [0,0,0,1,0,1|2,0,0]=4 1086 B9R2.174 C1CNC2(CC2)CN1 D7230 [0,0,0,1,0,1|2,0,0]=4 1087 B9R2.174 C1COC2(CC2)CN1 X19638 [0,0,0,1,0,1|1,0,0]=3 1088 B9R2.174 C1COCC2(CC2)N1 X62464 [0,0,0,1,0,1|2,0,0]=4 1089 B9R2.39 CN1CC2CC1CN2 M43431 [0,1,0,1,0,0|2,0,0]=4 1090 B9R2.39 CN1C[C@@H]2C[C@H]1CN2 M7868 [0,1,0,1,0,0|2,0,0]=4 1091 B9R2.39 CN1C[C@H]2C[C@@H]1CN2 M18033 [0,1,0,1,0,0|2,0,0]=4 1092 B9R2.39 FC1CC2CC1CN2 F60141 [0,1,0,1,0,0|2,0,0]=4 1093 B9R2.39 N[C@H]1C[C@@H]2CC[C@H]1C2 B61600 [0,1,0,1,0,0|2,0,0]=4 1094 B9R2.39 O=C1OC2CCC1C2 X31814 [0,1,0,1,0,0|1,0,1]=4 1095 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,1,0,1,0,0|1,0,1]=4 1096 B9R2.39 OC1CC2C=CC1C2 B43711 [0,1,0,1,0,0|1,0,1]=4 1097 B9R2.39 OC1CC2CC1CN2 A13307 [0,1,0,1,0,0|1,0,0]=3 1098 B9R2.39 OC1CC2CC1CN2 A29726 [0,1,0,1,0,0|1,0,0]=3 1099 B9R2.39 OC1CC2CNC1C2 A31041 [0,1,0,1,0,0|1,0,0]=3 1100 B9R2.39 O[C@@H]1C[C@@H]2CC[C@H]1N2 A27101 [0,1,0,1,0,0|1,0,0]=3 1101 B9R2.39 O[C@@H]1C[C@H]2CC[C@@H]1C2 B62162 [0,1,0,1,0,0|1,0,0]=3 1102 B9R2.39 O[C@@H]1C[C@H]2CC[C@H]1N2 A13086 [0,1,0,1,0,0|1,0,0]=3 1103 B9R2.39 O[C@H]1C[C@@H]2CC[C@H]1N2 A27100 [0,1,0,1,0,0|1,0,0]=3 1104 B9R2.39 O[C@H]1C[C@H]2CC[C@H]1N2 A13085 [0,1,0,1,0,0|1,0,0]=3 1105 B9R2.3 C1CC2CNCC2C1 X37040 [0,1,0,1,0,0|2,0,0]=4 1106 B9R2.3 C1CC2CNCC2O1 H15277 [0,1,0,1,0,0|1,0,0]=3 1107 B9R2.3 C1C[C@@H]2CNC[C@@H]2C1 X14333 [0,1,0,1,0,0|2,0,0]=4 1108 B9R2.3 C1NCC2COCC12 H10732 [0,1,0,1,0,0|2,0,0]=4 1109 B9R2.173 C1CC2(CCO2)CN1 X12068 [0,1,0,1,0,0|2,0,0]=4 1110 B9R2.173 C1CC2(CN1)COC2 O5947 [0,1,0,1,0,0|2,0,0]=4 1111 B9R2.173 C1CCC2(C1)CCN2 A14687 [0,1,0,1,0,0|2,0,0]=4 1112 B9R2.173 C1CCC2(C1)CNC2 A12064 [0,1,0,1,0,0|2,0,0]=4 1113 B9R2.173 C1CCC2(C1)CNC2 A15578 [0,1,0,1,0,0|2,0,0]=4 1114 B9R2.173 C1CNC2(C1)CCC2 A15582 [0,1,0,1,0,0|2,0,0]=4 1115 B9R2.173 C1CNC2(C1)CCC2 A7184 [0,1,0,1,0,0|2,0,0]=4 1116 B9R2.173 C1CNC2(C1)COC2 O5946 [0,1,0,1,0,0|1,0,0]=3 1117 B9R2.173 C1COC2(C1)CNC2 X7225 [0,1,0,1,0,0|1,0,0]=3 1118 B9R2.173 C1C[C@@]2(CCO2)CN1 O5948 [0,1,0,1,0,0|2,0,0]=4 1119 B9R2.173 C1C[C@@]2(CCO2)CN1 X8445 [0,1,0,1,0,0|2,0,0]=4 1120 B5R1.2 BrC1CCC1 B23687 [1,0,0,0,1,0|1,0,0]=3 1121 B5R1.2 BrC1CNC1 B13326 [1,0,0,0,1,0|2,0,0]=4 1122 B5R1.2 BrC1COC1 B5688 [1,0,0,0,1,0|2,0,0]=4 1123 B5R1.2 CC1CNC1 M1321 [1,0,0,0,1,0|1,0,0]=3 1124 B5R1.2 C[C@H]1CCN1 M29512 [1,0,0,0,1,0|1,0,0]=3 1125 B5R1.2 ClC1CNC1 C1323 [1,0,0,0,1,0|2,0,0]=4 1126 B5R1.2 ClC1COC1 C8470 [1,0,0,0,1,0|2,0,0]=4 1127 B5R1.2 FC1CNC1 F5255 [1,0,0,0,1,0|2,0,0]=4 1128 B5R1.2 IC1CCC1 I23424 [1,0,0,0,1,0|1,0,0]=3 1129 B5R1.2 IC1CNC1 I13327 [1,0,0,0,1,0|2,0,0]=4 1130 B5R1.2 IC1COC1 I5689 [1,0,0,0,1,0|2,0,0]=4 1131 B5R1.2 NC1CCC1 C60561 [1,0,0,0,1,0|1,0,0]=3 1132 B5R1.2 NC1CNC1 A5482 [1,0,0,0,1,0|2,0,0]=4 1133 B5R1.2 NC1COC1 O5613 [1,0,0,0,1,0|2,0,0]=4 1134 B5R1.2 NC1CSC1 T6025 [1,0,0,0,1,0|2,0,0]=4 1135 B5R1.2 O=C1CCC1 C8674 [1,0,0,0,1,0|0,0,2]=4 1136 B5R1.2 OC1CNC1 H2864 [1,0,0,0,1,0|1,0,0]=3 1137 B5R1.2 OC1COC1 O5686 [1,0,0,0,1,0|1,0,0]=3 1138 B5R1.2 SC1CNC1 A11453 [1,0,0,0,1,0|1,1,0]=4 1139 B5R1.2 SC1COC1 O8471 [1,0,0,0,1,0|1,1,0]=4 1140 B5R1.2 [Mg+]C1CCC1 P5028 [1,0,0,0,1,0|1,0,0]=3 1141 B5R1.3 BrCC1CC1 C2498 [0,0,0,0,2,0|1,0,0]=3 1142 B5R1.3 CNC1CC1 M1319 [0,0,0,0,2,0|2,0,0]=4 1143 B5R1.3 CNC1CC1 M14718 [0,0,0,0,2,0|2,0,0]=4 1144 B5R1.3 ClC[C@@H]1CO1 E10841 [0,0,0,0,2,0|1,0,0]=3 1145 B5R1.3 ClC[C@H]1CO1 E10840 [0,0,0,0,2,0|1,0,0]=3 1146 B5R1.3 NNC1CC1 C19179 [0,0,0,0,2,0|2,0,0]=4 1147 B5R1.3 NNC1CC1 C32080 [0,0,0,0,2,0|2,0,0]=4 1148 B5R1.3 O=CC1CC1 C20058 [0,0,0,0,2,0|0,0,2]=4 1149 B5R1.3 OC[C@@H]1CO1 X39872 [0,0,0,0,2,0|0,0,0]=2 1150 B5R1.3 OC[C@H]1CO1 X60516 [0,0,0,0,2,0|0,0,0]=2 1151 B9R1.89 NCC1CCCCCC1 C49582 [0,0,0,0,0,2|2,0,0]=4 1152 B9R1.89 OC[C@@H]1CCCCCN1 A64396 [0,0,0,0,0,2|1,0,0]=3 1153 B9R1.89 OC[C@H]1CCCCNC1 A15700 [0,0,0,0,0,2|1,0,0]=3