0 B7R1.4 BrC1=C(Br)CCC1 D68539 [0,0,0,0,0,0|3,0,1]=4 1 B7R1.4 CC1=C(Br)N=CS1 B61015 [0,0,0,0,0,0|2,0,2]=4 2 B7R1.4 CC1=C(C)SC=N1 D41175 [0,0,0,0,0,0|2,0,2]=4 3 B7R1.4 CN1CCCC1=S M6872 [0,0,0,0,0,0|2,1,0]=3 4 B7R1.4 CN1CCN=C1N M40301 [0,0,0,0,0,0|4,0,0]=4 5 B7R1.4 CN1CCNC1=O M40241 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.4 CN1N=CCC1=O M40183 [0,0,0,0,0,0|2,0,1]=3 7 B7R1.4 CN1NC=CC1=O M40184 [0,0,0,0,0,0|2,0,2]=4 8 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [0,0,0,0,0,0|2,0,2]=4 9 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [0,0,0,0,0,0|3,0,1]=4 10 B7R1.4 C[C@@H]1OCCC1=O M41223 [0,0,0,0,0,0|0,1,0]=1 11 B7R1.4 C[C@H]1CCCC1=O M41458 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.4 C[C@H]1CCNC1=O M41257 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.4 C[C@H]1CCOC1=O M41224 [0,0,0,0,0,0|2,0,0]=2 14 B7R1.4 NC1CCCC1O A40401 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.4 NN1CCCC1=O A22230 [0,0,0,0,0,0|3,0,0]=3 16 B7R1.4 N[C@@H]1CCC[C@@H]1O A67556 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.4 N[C@@H]1CCC[C@H]1F F59997 [0,0,0,0,0,0|3,0,1]=4 18 B7R1.4 N[C@@H]1CCC[C@H]1N C41387 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.4 N[C@@H]1CCC[C@H]1O A27146 [0,0,0,0,0,0|2,0,2]=4 20 B7R1.4 N[C@@H]1CCC[C@H]1O A40405 [0,0,0,0,0,0|2,0,2]=4 21 B7R1.4 N[C@@H]1CCC[C@H]1O A41326 [0,0,0,0,0,0|2,0,2]=4 22 B7R1.4 N[C@@H]1CCNC1=O A40242 [0,0,0,0,0,0|3,0,0]=3 23 B7R1.4 N[C@@H]1CCNC1=O A62971 [0,0,0,0,0,0|3,0,0]=3 24 B7R1.4 N[C@@H]1CCOC1=O H68344 [0,0,0,0,0,0|3,0,0]=3 25 B7R1.4 N[C@H]1CCC[C@@H]1O A24888 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.4 N[C@H]1CCC[C@H]1O A41327 [0,0,0,0,0,0|2,0,2]=4 27 B7R1.4 N[C@H]1CCNC1=O A24294 [0,0,0,0,0,0|3,0,0]=3 28 B7R1.4 N[C@H]1CCOC1=O A40300 [0,0,0,0,0,0|3,0,0]=3 29 B7R1.4 N[C@H]1CCOC1=O A40335 [0,0,0,0,0,0|3,0,0]=3 30 B7R1.4 O=C1CCC=C1Br B3409 [0,0,0,0,0,0|2,0,1]=3 31 B7R1.4 O=C1CCC=C1O H41119 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.4 O=C1NCC[C@@H]1O H20173 [0,0,0,0,0,0|3,0,0]=3 33 B7R1.4 O=C1NCC[C@@H]1O H37914 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.4 O=C1NCC[C@H]1O H40227 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.4 O=C1OCC[C@@H]1Br B31114 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.4 O[C@@H]1CCC[C@H]1O C67710 [0,0,0,0,0,0|2,0,2]=4 37 B6R1.2 Br[C@H]1CCNC1 B40246 [1,0,0,0,0,0|2,0,1]=4 38 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,0,0,0|1,1,1]=4 39 B6R1.2 CC1=CC=CS1 M39179 [1,0,0,0,0,0|0,0,3]=4 40 B6R1.2 CC1=CN=CS1 M40166 [1,0,0,0,0,0|1,0,2]=4 41 B6R1.2 CC1=NCCC1 M41239 [1,0,0,0,0,0|1,0,2]=4 42 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,0,0,0|1,0,1]=3 43 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,0,0,0|2,0,1]=4 44 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,0,0,0|1,0,1]=3 45 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,0,0,0|1,0,1]=3 46 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,0,0,0|1,0,1]=3 47 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,0,0,0|2,0,1]=4 48 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,0,0,0|2,0,1]=4 49 B6R1.2 F[C@@H]1CCNC1 F7494 [1,0,0,0,0,0|2,0,1]=4 50 B6R1.2 F[C@H]1CCNC1 F0136 [1,0,0,0,0,0|2,0,1]=4 51 B6R1.2 F[C@H]1CCNC1 F7493 [1,0,0,0,0,0|2,0,1]=4 52 B6R1.2 IC1CCCC1 I20419 [1,0,0,0,0,0|2,0,1]=4 53 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,0,0,0|1,1,1]=4 54 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,0,0,0|1,1,1]=4 55 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,0,0,0|1,1,1]=4 56 B6R1.2 NC1=NCCC1 D38561 [1,0,0,0,0,0|3,0,0]=4 57 B6R1.2 N[C@@H]1CCNC1 P16877 [1,0,0,0,0,0|2,0,1]=4 58 B6R1.2 N[C@@H]1CCNC1 P16878 [1,0,0,0,0,0|2,0,1]=4 59 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,0,0,0|1,1,1]=4 60 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,0,0,0|1,1,1]=4 61 B6R1.2 N[C@H]1CCNC1 P16879 [1,0,0,0,0,0|2,0,1]=4 62 B6R1.2 N[C@H]1CCNC1 P68854 [1,0,0,0,0,0|2,0,1]=4 63 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,0,0,0|1,1,1]=4 64 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,0,0,0|1,1,1]=4 65 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,0,0,0|1,1,1]=4 66 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,0,0,0|1,1,1]=4 67 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,0,0,0|1,0,1]=3 68 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,0,0,0|2,0,1]=4 69 B6R1.2 O=C1C=CSN1 T60536 [1,0,0,0,0,0|1,0,2]=4 70 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,0,0,0|1,0,1]=3 71 B6R1.2 O=C1CC=NN1 P39834 [1,0,0,0,0,0|2,0,1]=4 72 B6R1.2 O=C1CCNC1 P0198 [1,0,0,0,0,0|1,0,0]=2 73 B6R1.2 O=C1CCNN1 P39917 [1,0,0,0,0,0|2,0,0]=3 74 B6R1.2 O=C1CCOC1 X0391 [1,0,0,0,0,0|0,1,0]=2 75 B6R1.2 O=C1CCSC1 D10906 [1,0,0,0,0,0|0,0,0]=1 76 B6R1.2 O=C1NCCN1 K62398 [1,0,0,0,0,0|3,0,0]=4 77 B6R1.2 O=C1NCCS1 T39859 [1,0,0,0,0,0|2,0,1]=4 78 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,0,0,0|1,0,2]=4 79 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,0,0,0|1,0,2]=4 80 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,0,0,0|0,1,2]=4 81 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,0,0,0|1,0,2]=4 82 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,0,0,0|1,0,2]=4 83 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,0,0,0|1,0,2]=4 84 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,0,0,0|0,1,2]=4 85 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,0,0,0|0,1,2]=4 86 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,0,0,0|1,1,1]=4 87 B8R1.11 CC1=C(C=O)N=CS1 M41008 [0,1,0,0,0,0|1,0,2]=4 88 B8R1.11 CC[C@H]1CCCC1=O E43799 [0,1,0,0,0,0|1,0,0]=2 89 B8R1.11 CN1CCC[C@@H]1CN M8172 [0,1,0,0,0,0|3,0,0]=4 90 B8R1.11 CN1CCC[C@@H]1CO M14129 [0,1,0,0,0,0|3,0,0]=4 91 B8R1.11 CN1CCC[C@@H]1CO M41582 [0,1,0,0,0,0|3,0,0]=4 92 B8R1.11 CN1CCC[C@H]1CBr B41540 [0,1,0,0,0,0|3,0,0]=4 93 B8R1.11 CN1CCC[C@H]1CN M0297 [0,1,0,0,0,0|3,0,0]=4 94 B8R1.11 CN1CCC[C@H]1CN M43564 [0,1,0,0,0,0|3,0,0]=4 95 B8R1.11 CN1CCC[C@H]1CO M12480 [0,1,0,0,0,0|3,0,0]=4 96 B8R1.11 CO[C@H]1CCC[C@H]1N M60050 [0,1,0,0,0,0|2,0,1]=4 97 B8R1.11 N#C[C@H]1COCC1=O F13819 [0,1,0,0,0,0|2,0,1]=4 98 B8R1.11 N#C[C@H]1CSCC1=O X13820 [0,1,0,0,0,0|2,0,1]=4 99 B8R1.11 O=C1CCC[C@@H]1CO H41464 [0,1,0,0,0,0|1,0,0]=2 100 B8R1.11 O=C1NCC[C@@H]1CO H13645 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,0,0,0|0,1,2]=4 102 B8R1.18 CC1=NN(C)C(=O)C1 D39183 [0,1,0,0,0,0|2,0,1]=4 103 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.18 CN1SC(Cl)=CC1=O C69553 [0,1,0,0,0,0|1,0,2]=4 105 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,1,0,0,0,0|2,0,1]=4 106 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,0,0,0|2,0,1]=4 107 B8R1.19 CC1(C)CCNC1=O D13691 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.19 O=C1NCCC1(F)F D29703 [0,1,0,0,0,0|3,0,0]=4 109 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.50 CN1C(=O)CSC1=O M40160 [0,1,0,0,0,0|3,0,0]=4 111 B8R1.50 CN1C(=O)CSC1=S M29859 [0,1,0,0,0,0|3,0,0]=4 112 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,1,0,0,0,0|3,0,0]=4 113 B8R1.50 O=C1CCC(=O)N1I I1787 [0,1,0,0,0,0|3,0,0]=4 114 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,0,0,0|3,0,0]=4 115 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,0,0,0|3,0,0]=4 116 B6R0.1 C#CCC(=O)OC M41116 [0,0,1,0,0,0|2,0,1]=4 117 B6R0.1 CC=CC(=O)CC H41457 [0,0,1,0,0,0|1,0,2]=4 118 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,1,0,0,0|2,0,1]=4 119 B6R0.1 CCOC(=O)CN G69291 [0,0,1,0,0,0|3,0,0]=4 120 B6R0.1 CCOC(=O)CO E37817 [0,0,1,0,0,0|3,0,0]=4 121 B6R0.1 CCOC(=O)OC E40254 [0,0,1,0,0,0|3,0,0]=4 122 B6R0.1 CNC(=O)CC#N C40181 [0,0,1,0,0,0|2,0,1]=4 123 B6R0.1 CNC(=O)CCN A40306 [0,0,1,0,0,0|2,0,0]=3 124 B6R0.1 COC(=O)CC#N M68915 [0,0,1,0,0,0|2,0,1]=4 125 B6R0.1 COC(=O)CCBr M39155 [0,0,1,0,0,0|2,0,0]=3 126 B6R0.1 COC(=O)CCN M67902 [0,0,1,0,0,0|2,0,0]=3 127 B6R0.1 COC(=O)CCO M24551 [0,0,1,0,0,0|1,1,0]=3 128 B6R0.1 COC(=O)OCCl C62332 [0,0,1,0,0,0|3,0,0]=4 129 B6R0.3 C=C[C@H](C)C(=O)O M60559 [0,0,1,0,0,0|2,0,1]=4 130 B6R0.3 CC(C)C(=O)NN I0020 [0,0,1,0,0,0|3,0,0]=4 131 B6R0.3 CCC(=O)C(=O)[O-] S40297 [0,0,1,0,0,0|1,1,1]=4 132 B6R0.3 CCC(=O)N(C)C D67412 [0,0,1,0,0,0|2,0,0]=3 133 B6R0.3 CCN(C)C(=O)Cl E40250 [0,0,1,0,0,0|3,0,0]=4 134 B6R0.3 CCN(C)C(C)=O E40404 [0,0,1,0,0,0|2,0,0]=3 135 B6R0.3 CC[C@@H](C)C(=O)O M40381 [0,0,1,0,0,0|2,0,0]=3 136 B6R0.3 CC[C@@H](N)C(N)=O A40305 [0,0,1,0,0,0|3,0,0]=4 137 B6R0.3 CC[C@H](N)C(=O)O A40349 [0,0,1,0,0,0|3,0,0]=4 138 B6R0.3 CC[C@H](N)C(=O)O A68376 [0,0,1,0,0,0|3,0,0]=4 139 B6R0.3 CC[C@H](N)C(N)=O A64477 [0,0,1,0,0,0|3,0,0]=4 140 B6R0.3 CC[C@H](O)C(=O)O H23105 [0,0,1,0,0,0|3,0,0]=4 141 B6R0.3 CN(C)C(=O)CBr B40249 [0,0,1,0,0,0|3,0,0]=4 142 B6R0.3 CN(C)C(=O)CN A39947 [0,0,1,0,0,0|3,0,0]=4 143 B6R0.3 CN(C)C(=O)CN A40307 [0,0,1,0,0,0|3,0,0]=4 144 B6R0.3 CN(C)C(=O)CN A61441 [0,0,1,0,0,0|3,0,0]=4 145 B6R0.3 CN(C)C(=O)CO H40267 [0,0,1,0,0,0|3,0,0]=4 146 B6R0.3 CNC(=O)[C@H](C)N A40308 [0,0,1,0,0,0|2,0,0]=3 147 B6R0.3 CN[C@@H](C)C(=O)O M68914 [0,0,1,0,0,0|2,0,0]=3 148 B6R0.3 CN[C@H](C)C(=O)O M63076 [0,0,1,0,0,0|2,0,0]=3 149 B6R0.3 COC(=O)[C@@H](C)O M68913 [0,0,1,0,0,0|1,1,0]=3 150 B6R0.3 COC(=O)[C@H](C)Cl M68359 [0,0,1,0,0,0|2,0,0]=3 151 B6R0.3 COC(=O)[C@H](C)N A68085 [0,0,1,0,0,0|2,0,0]=3 152 B6R0.3 COC(=O)[C@H](C)N M68343 [0,0,1,0,0,0|2,0,0]=3 153 B6R0.3 COC(=O)[C@H](C)O M69777 [0,0,1,0,0,0|1,1,0]=3 154 B6R0.3 CON(C)C(C)=O M3307 [0,0,1,0,0,0|1,1,0]=3 155 B6R0.3 CO[C@@H](C)C(=O)O M11053 [0,0,1,0,0,0|1,1,0]=3 156 B6R0.3 CO[C@@H](C)C(=O)O M69861 [0,0,1,0,0,0|1,1,0]=3 157 B6R0.3 CO[C@H](C)C(=O)O M8894 [0,0,1,0,0,0|1,1,0]=3 158 B6R0.3 C[C@H](CN)C(=O)O A40352 [0,0,1,0,0,0|3,0,0]=4 159 B6R0.6 C=CCCCCBr B9212 [0,0,1,0,0,0|3,0,0]=4 160 B6R0.6 C=CCCCCO H41549 [0,0,1,0,0,0|3,0,0]=4 161 B6R0.6 C=CCCCC[Mg+] H5025 [0,0,1,0,0,0|3,0,0]=4 162 B6R0.6 CCCCCC[Mg+] H31703 [0,0,1,0,0,0|2,0,1]=4 163 B6R0.6 CCCCCNC M41618 [0,0,1,0,0,0|3,0,0]=4 164 B6R0.6 CCOCCC#N E41255 [0,0,1,0,0,0|1,1,1]=4 165 B6R0.6 O=CCCCCCl C41277 [0,0,1,0,0,0|2,0,0]=3 166 B6R0.6 O=CCCCCO H32202 [0,0,1,0,0,0|2,0,0]=3 167 B6R1.4 CC1NCC1F F21597 [0,0,0,0,1,0|2,0,1]=4 168 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,0,0,0,1,0|1,0,2]=4 169 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,0,1,0|0,1,0]=2 170 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,0,1,0|1,0,0]=2 171 B6R1.4 N[C@@H]1CNC1=O A60450 [0,0,0,0,1,0|2,0,0]=3 172 B6R1.4 N[C@H]1CNC1=O A39918 [0,0,0,0,1,0|2,0,0]=3 173 B8R1.4 CC1CC(N)CCO1 M26284 [0,0,0,0,0,1|1,1,1]=4 174 B8R1.4 CC1CC(O)CCN1 M11589 [0,0,0,0,0,1|1,0,2]=4 175 B8R1.4 CC1CC(O)CCO1 M14345 [0,0,0,0,0,1|0,1,2]=4 176 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,0,0,1|2,0,0]=3 177 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,0,0,1|3,0,0]=4 178 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,0,0,1|3,0,0]=4 179 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,0,0,1|1,0,0]=2 180 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,0,0,1|0,1,0]=2 181 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,0,0,0,0,1|3,0,0]=4 182 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,0,0,0,0,1|3,0,0]=4 183 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,0,0,1|2,0,0]=3 184 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,0,0,1|2,0,0]=3 185 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,0,0,0,0,1|1,0,2]=4 186 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,0,0,1|1,0,0]=2 187 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,0,0,1|1,0,0]=2 188 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,0,0,1|1,0,0]=2 189 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,0,0,1|0,1,0]=2 190 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,0,0,1|0,1,0]=2 191 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,0,0,1|1,0,0]=2 192 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,0,0,1|2,0,0]=3 193 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,0,0,0,0,1|3,0,0]=4 194 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,0,0,1|2,0,0]=3 195 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,0,0,0,0,1|1,0,2]=4 196 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,0,0,0,0,1|1,0,2]=4 197 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,0,0,0,0,1|2,0,1]=4 198 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,0,0,1|3,0,0]=4 199 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,0,0,1|3,0,0]=4 200 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,0,0,1|2,0,1]=4 201 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,0,0,0,0,1|2,0,1]=4 202 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,0,0,1|2,0,1]=4 203 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,0,0,0,0,1|3,0,0]=4 204 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,0,0,0,0,1|3,0,0]=4 205 B8R1.5 CC1=NCCCN1C D39201 [0,0,0,0,0,1|3,0,0]=4 206 B8R1.5 CC1CCNCC1O H11697 [0,0,0,0,0,1|1,0,2]=4 207 B8R1.5 CC1CCNCC1O H11698 [0,0,0,0,0,1|1,0,2]=4 208 B8R1.5 CC1CNCCC1O M17031 [0,0,0,0,0,1|1,0,2]=4 209 B8R1.5 CC1CNCCC1O M41575 [0,0,0,0,0,1|1,0,2]=4 210 B8R1.5 CN1CCNCC1=O M12652 [0,0,0,0,0,1|2,0,0]=3 211 B8R1.5 CN1CCNCC1=O M4395 [0,0,0,0,0,1|2,0,0]=3 212 B8R1.5 C[C@@H]1CCCC[C@@H]1N M46507 [0,0,0,0,0,1|2,0,1]=4 213 B8R1.5 C[C@@H]1CCNC[C@@H]1O H14889 [0,0,0,0,0,1|1,0,2]=4 214 B8R1.5 C[C@@H]1CCNC[C@H]1O H11699 [0,0,0,0,0,1|1,0,2]=4 215 B8R1.5 C[C@@H]1CCNC[C@H]1O H14888 [0,0,0,0,0,1|1,0,2]=4 216 B8R1.5 C[C@@H]1CNCCN1C D10718 [0,0,0,0,0,1|3,0,0]=4 217 B8R1.5 C[C@@H]1CNCC[C@H]1O M30026 [0,0,0,0,0,1|1,0,2]=4 218 B8R1.5 C[C@@H]1COCC[C@H]1N M14514 [0,0,0,0,0,1|1,1,1]=4 219 B8R1.5 C[C@@H]1COCC[C@H]1N M27647 [0,0,0,0,0,1|1,1,1]=4 220 B8R1.5 C[C@@H]1COCC[C@H]1N M59772 [0,0,0,0,0,1|1,1,1]=4 221 B8R1.5 C[C@H]1CCCCC1=O M68370 [0,0,0,0,0,1|1,0,0]=2 222 B8R1.5 C[C@H]1CCCNC1=O P23372 [0,0,0,0,0,1|1,0,0]=2 223 B8R1.5 C[C@H]1CCNCC1=O M14887 [0,0,0,0,0,1|1,0,0]=2 224 B8R1.5 C[C@H]1CCNC[C@H]1O H11700 [0,0,0,0,0,1|1,0,2]=4 225 B8R1.5 C[C@H]1CNCCC1=O M14880 [0,0,0,0,0,1|1,0,0]=2 226 B8R1.5 C[C@H]1CNCCC1=O M41497 [0,0,0,0,0,1|1,0,0]=2 227 B8R1.5 C[C@H]1CNCCN1C D11166 [0,0,0,0,0,1|3,0,0]=4 228 B8R1.5 C[C@H]1CNCCN1C D23865 [0,0,0,0,0,1|3,0,0]=4 229 B8R1.5 C[C@H]1CNCCN1C D41606 [0,0,0,0,0,1|3,0,0]=4 230 B8R1.5 C[C@H]1COCCC1=O M11408 [0,0,0,0,0,1|0,1,0]=2 231 B8R1.5 C[C@H]1COCC[C@@H]1N M59773 [0,0,0,0,0,1|1,1,1]=4 232 B8R1.5 C[C@H]1COCC[C@H]1N M11514 [0,0,0,0,0,1|1,1,1]=4 233 B8R1.5 NN1CCCCC1=O A41312 [0,0,0,0,0,1|3,0,0]=4 234 B8R1.5 N[C@@H]1CCCNC1=O A41314 [0,0,0,0,0,1|2,0,0]=3 235 B8R1.5 N[C@H]1CCCCC1=O A63504 [0,0,0,0,0,1|2,0,0]=3 236 B8R1.5 N[C@H]1CCCNC1=O A38933 [0,0,0,0,0,1|2,0,0]=3 237 B8R1.5 N[C@H]1CCCNC1=O A41313 [0,0,0,0,0,1|2,0,0]=3 238 B8R1.5 N[C@H]1CCCNC1=O A64847 [0,0,0,0,0,1|2,0,0]=3 239 B8R1.5 O=C1CCCC=C1Br B3408 [0,0,0,0,0,1|2,0,1]=4 240 B8R1.5 O=C1CCCCC1=O C67839 [0,0,0,0,0,1|2,0,1]=4 241 B8R1.5 O=C1CCNC[C@@H]1F F11694 [0,0,0,0,0,1|2,0,0]=3 242 B8R1.5 O=C1CCNC[C@@H]1F F13759 [0,0,0,0,0,1|2,0,0]=3 243 B8R1.5 O=C1CCOC[C@@H]1Br B7711 [0,0,0,0,0,1|1,1,0]=3 244 B8R1.5 O=C1CCOC[C@@H]1F F5739 [0,0,0,0,0,1|1,1,0]=3 245 B8R1.5 O=C1NCCC[C@@H]1Br B41219 [0,0,0,0,0,1|2,0,0]=3 246 B8R1.5 O=C1NCCC[C@@H]1O H36756 [0,0,0,0,0,1|2,0,0]=3 247 B5R0.1 C=C(C)OCC E5573 [1,0,1,0,0,0|0,1,1]=4 248 B5R0.1 CC(=O)CC#N X40158 [1,0,1,0,0,0|1,0,1]=4 249 B5R0.1 CC(=O)CCCl C69539 [1,0,1,0,0,0|1,0,0]=3 250 B5R0.1 CCC[C@@H](C)N P16023 [1,0,1,0,0,0|1,0,1]=4 251 B5R0.1 CCC[C@H](C)N P22363 [1,0,1,0,0,0|1,0,1]=4 252 B5R0.1 CNCC(=O)O M68590 [1,0,1,0,0,0|2,0,0]=4 253 B5R0.1 CNCC(N)=O M68358 [1,0,1,0,0,0|2,0,0]=4 254 B5R0.1 COCC(=O)O M69331 [1,0,1,0,0,0|1,1,0]=4 255 B5R0.1 NCCC(N)=O A67869 [1,0,1,0,0,0|2,0,0]=4 256 B5R0.2 C=CCCCBr B41237 [1,0,1,0,0,0|2,0,0]=4 257 B5R0.2 C=CCCCCl C41238 [1,0,1,0,0,0|2,0,0]=4 258 B5R0.2 C=CCCCO P36921 [1,0,1,0,0,0|2,0,0]=4 259 B5R0.2 CCCCON B40310 [1,0,1,0,0,0|2,0,0]=4 260 B5R0.3 CCC(=O)CN A32390 [1,0,1,0,0,0|1,0,0]=3 261 B5R0.3 CCC(=O)CO H36713 [1,0,1,0,0,0|0,1,0]=3 262 B5R0.3 CCC(N)CC P40440 [1,0,1,0,0,0|1,0,1]=4 263 B5R0.3 CNC(=O)CBr B60913 [1,0,1,0,0,0|2,0,0]=4 264 B5R0.3 CNC(=O)CCl C67921 [1,0,1,0,0,0|2,0,0]=4 265 B5R0.3 COC(=O)CN M69126 [1,0,1,0,0,0|2,0,0]=4 266 B5R0.3 COC(=O)CO M67586 [1,0,1,0,0,0|1,1,0]=4 267 B5R0.3 O=C(CCl)CCl D4849 [1,0,1,0,0,0|2,0,0]=4 268 B5R0.3 O=C[C@H](O)CO D39873 [1,0,1,0,0,0|2,0,0]=4 269 B5R0.5 CC(C)C(=N)N B40303 [1,0,1,0,0,0|2,0,0]=4 270 B5R0.5 CC(C)C(N)=O I4848 [1,0,1,0,0,0|1,0,0]=3 271 B5R0.5 CC(C)C(N)=S M3101 [1,0,1,0,0,0|1,1,0]=4 272 B5R0.5 CC(C)[S@](=O)[O-] S66891 [1,0,1,0,0,0|2,0,0]=4 273 B5R0.5 CC(O)C(=O)[O-] C60888 [1,0,1,0,0,0|1,1,0]=4 274 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [1,0,1,0,0,0|2,0,0]=4 275 B5R0.5 C[C@@H](N)C(N)=O A69602 [1,0,1,0,0,0|2,0,0]=4 276 B5R0.5 C[C@@H](O)C(N)=O H68918 [1,0,1,0,0,0|1,1,0]=4 277 B5R0.5 C[C@H](N)C(=O)O A39925 [1,0,1,0,0,0|2,0,0]=4 278 B5R0.5 C[C@H](N)C(=O)O A60902 [1,0,1,0,0,0|2,0,0]=4 279 B5R1.1 C1=CCNC1 D40328 [2,0,0,0,0,0|1,0,1]=4 280 B5R1.1 C1CSCN1 T38217 [2,0,0,0,0,0|1,0,0]=3 281 B5R1.1 C1CSCN1 T60563 [2,0,0,0,0,0|1,0,0]=3 282 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,1,0,0,0|0,1,1]=4 283 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,1,0,0,0|2,0,0]=4 284 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,1,0,0,0|1,1,0]=4 285 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,1,0,0,0|1,1,0]=4 286 B7R0.3 CCCOC(=O)OC M40388 [0,1,1,0,0,0|2,0,0]=4 287 B7R0.3 CNCCC(=O)OC M40412 [0,1,1,0,0,0|2,0,0]=4 288 B7R0.3 COC(=O)CCCBr M39189 [0,1,1,0,0,0|2,0,0]=4 289 B7R0.3 COC(=O)CCCCl M60517 [0,1,1,0,0,0|2,0,0]=4 290 B7R0.3 COC(=O)CCCN M32376 [0,1,1,0,0,0|2,0,0]=4 291 B7R0.5 CC(C)C(=O)CC#N M43378 [0,1,1,0,0,0|1,0,1]=4 292 B7R0.5 CC(C)C(=O)OCCl C24559 [0,1,1,0,0,0|2,0,0]=4 293 B7R0.5 CCC=C(C)C(=O)O M39198 [0,1,1,0,0,0|1,0,1]=4 294 B7R0.5 CCC[C@@H](N)C(=O)O N40406 [0,1,1,0,0,0|2,0,0]=4 295 B7R0.5 CCC[C@H](O)C(=O)O H40390 [0,1,1,0,0,0|2,0,0]=4 296 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,1,1,0,0,0|2,0,0]=4 297 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,1,0,0,0|2,0,0]=4 298 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,1,1,0,0,0|2,0,0]=4 299 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,1,1,0,0,0|2,0,0]=4 300 B7R0.5 CC\C=C(/C)C(=O)O M41462 [0,1,1,0,0,0|1,0,1]=4 301 B7R0.7 CCNC(=O)NCC D40424 [0,1,1,0,0,0|2,0,0]=4 302 B7R0.7 CCOC(=O)CCBr E39188 [0,1,1,0,0,0|1,0,0]=3 303 B7R0.7 CCOC(=O)CCI E41273 [0,1,1,0,0,0|1,0,0]=3 304 B7R0.7 CCOC(=O)CCO E36682 [0,1,1,0,0,0|0,1,0]=3 305 B7R0.7 CCOC(=O)CNC S69399 [0,1,1,0,0,0|2,0,0]=4 306 B7R0.7 CCOC(=O)CNN E67459 [0,1,1,0,0,0|2,0,0]=4 307 B7R0.7 CCOC(=O)CSC E40386 [0,1,1,0,0,0|2,0,0]=4 308 B7R0.7 CCOC(=O)OCCl C38646 [0,1,1,0,0,0|2,0,0]=4 309 B7R0.7 COCC(=O)COC D40391 [0,1,1,0,0,0|2,0,0]=4 310 B7R0.7 O=C(CCCl)CCCl D67616 [0,1,1,0,0,0|1,0,0]=3 311 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,1,0,0,0|1,0,1]=4 312 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,1,0,0,0|2,0,0]=4 313 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,1,0,0,0|2,0,0]=4 314 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,1,0,0,0|2,0,0]=4 315 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,1,0,0,0|2,0,0]=4 316 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,1,0,0,0|2,0,0]=4 317 B7R0.10 COC(=O)[C@@H](Br)CO M40234 [0,1,1,0,0,0|1,1,0]=4 318 B7R0.10 COC(=O)[C@@H](C)CBr M41268 [0,1,1,0,0,0|2,0,0]=4 319 B7R0.10 COC(=O)[C@@H](C)CO M25480 [0,1,1,0,0,0|1,1,0]=4 320 B7R0.10 COC(=O)[C@@H](Cl)CCl M69066 [0,1,1,0,0,0|2,0,0]=4 321 B7R0.10 COC(=O)[C@@H](F)CO M60918 [0,1,1,0,0,0|1,1,0]=4 322 B7R0.10 COC(=O)[C@@H](N)CO M68693 [0,1,1,0,0,0|1,1,0]=4 323 B7R0.10 COC(=O)[C@@H](N)CO S64541 [0,1,1,0,0,0|1,1,0]=4 324 B7R0.10 COC(=O)[C@@H](O)CN M61501 [0,1,1,0,0,0|2,0,0]=4 325 B7R0.10 COC(=O)[C@@H](O)CO M40259 [0,1,1,0,0,0|1,1,0]=4 326 B7R0.10 COC(=O)[C@H](C)CO M40393 [0,1,1,0,0,0|1,1,0]=4 327 B7R0.10 COC(=O)[C@H](N)CCl M69012 [0,1,1,0,0,0|2,0,0]=4 328 B7R0.10 COC(=O)[C@H](N)CS M69349 [0,1,1,0,0,0|1,0,0]=3 329 B7R0.10 COC(=O)[C@H](O)CO M40258 [0,1,1,0,0,0|1,1,0]=4 330 B7R0.13 CC(=O)C(C)(C)C#N D9183 [0,1,1,0,0,0|2,0,0]=4 331 B7R0.13 CC[C@@](C)(N)C(=O)O K69340 [0,1,1,0,0,0|2,0,0]=4 332 B7R0.13 CC[C@](C)(N)C(=O)O K68055 [0,1,1,0,0,0|2,0,0]=4 333 B7R0.14 COC(=O)C(C)(C)F M41271 [0,1,1,0,0,0|2,0,0]=4 334 B7R0.14 COC(=O)C(C)(C)N M67502 [0,1,1,0,0,0|2,0,0]=4 335 B7R0.15 CCC(CC)C(=O)[O-] M43580 [0,1,1,0,0,0|2,0,0]=4 336 B7R0.1 C=CCCCCCBr B43831 [0,1,1,0,0,0|2,0,0]=4 337 B7R0.1 C=CCCCCNC M43901 [0,1,1,0,0,0|2,0,0]=4 338 B7R0.1 C=CCCCCNC M46504 [0,1,1,0,0,0|2,0,0]=4 339 B7R0.1 O=CCCCCC=O A3137 [0,1,1,0,0,0|1,0,1]=4 340 B7R0.4 CC(=O)CCCCBr B41532 [0,1,1,0,0,0|2,0,0]=4 341 B7R0.4 CCCCOC(N)=O B39165 [0,1,1,0,0,0|2,0,0]=4 342 B7R0.4 CCCOCC(=O)O P40387 [0,1,1,0,0,0|2,0,0]=4 343 B7R0.4 CNCCCC(=O)O M63276 [0,1,1,0,0,0|2,0,0]=4 344 B7R0.4 COCCCC(=O)O M67387 [0,1,1,0,0,0|2,0,0]=4 345 B7R0.4 O=C(O)CCCCBr B39187 [0,1,1,0,0,0|2,0,0]=4 346 B7R0.4 O=C(O)CCCCCl C39191 [0,1,1,0,0,0|2,0,0]=4 347 B7R0.4 O=C(O)CCCCO H37199 [0,1,1,0,0,0|2,0,0]=4 348 B7R0.4 O=C([O-])CCCCO S41306 [0,1,1,0,0,0|2,0,0]=4 349 B7R1.1 BrCC1=CCCC1 B7551 [1,1,0,0,0,0|1,0,1]=4 350 B7R1.1 BrCC1CCCC1 B23399 [1,1,0,0,0,0|1,0,1]=4 351 B7R1.1 BrC[C@H]1CCCO1 B17294 [1,1,0,0,0,0|0,1,1]=4 352 B7R1.1 FC[C@@H]1CCCN1 F1127 [1,1,0,0,0,0|1,0,1]=4 353 B7R1.1 FC[C@H]1CCCN1 F12954 [1,1,0,0,0,0|1,0,1]=4 354 B7R1.1 NCC1CCCC1 C5395 [1,1,0,0,0,0|1,0,1]=4 355 B7R1.1 NC[C@@H]1CCCN1 A7822 [1,1,0,0,0,0|1,0,1]=4 356 B7R1.1 NC[C@@H]1CCCO1 T25038 [1,1,0,0,0,0|0,1,1]=4 357 B7R1.1 NC[C@H]1CCCN1 A60830 [1,1,0,0,0,0|1,0,1]=4 358 B7R1.1 O=CC1=CCCC1 C69466 [1,1,0,0,0,0|1,0,1]=4 359 B7R1.1 O=CC1CCCC1 C25963 [1,1,0,0,0,0|1,0,1]=4 360 B7R1.1 OCC1CCCC1 C23297 [1,1,0,0,0,0|1,0,1]=4 361 B7R1.1 OCC1OCCO1 D40256 [1,1,0,0,0,0|1,1,0]=4 362 B7R1.1 OC[C@@H]1CCCN1 P1125 [1,1,0,0,0,0|1,0,1]=4 363 B7R1.1 OC[C@@H]1CCCN1 P1542 [1,1,0,0,0,0|1,0,1]=4 364 B7R1.1 OC[C@@H]1CCCO1 T40383 [1,1,0,0,0,0|0,1,1]=4 365 B7R1.1 OC[C@H]1CCCN1 P14128 [1,1,0,0,0,0|1,0,1]=4 366 B7R1.1 OC[C@H]1CCCN1 P67898 [1,1,0,0,0,0|1,0,1]=4 367 B7R1.1 OC[C@H]1CCCO1 T67581 [1,1,0,0,0,0|0,1,1]=4 368 B7R1.1 OC[C@H]1CCCO1 T68627 [1,1,0,0,0,0|0,1,1]=4 369 B7R1.2 CC1=CC(=O)CC1 M22783 [1,1,0,0,0,0|1,0,1]=4 370 B7R1.2 CN1CCC(=O)C1 M5444 [1,1,0,0,0,0|1,0,0]=3 371 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [1,1,0,0,0,0|1,0,1]=4 372 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [1,1,0,0,0,0|2,0,0]=4 373 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [1,1,0,0,0,0|1,0,1]=4 374 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [1,1,0,0,0,0|2,0,0]=4 375 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [1,1,0,0,0,0|1,0,1]=4 376 B7R1.2 NC1=NC(=O)CS1 A2444 [1,1,0,0,0,0|1,0,1]=4 377 B7R1.2 NC1=NC(=O)CS1 A67692 [1,1,0,0,0,0|1,0,1]=4 378 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [1,1,0,0,0,0|2,0,0]=4 379 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [1,1,0,0,0,0|2,0,0]=4 380 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [1,1,0,0,0,0|2,0,0]=4 381 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [1,1,0,0,0,0|2,0,0]=4 382 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [1,1,0,0,0,0|2,0,0]=4 383 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [1,1,0,0,0,0|2,0,0]=4 384 B7R1.2 N[C@H]1COC(=O)C1 A37707 [1,1,0,0,0,0|2,0,0]=4 385 B7R1.2 O=C1CCC(=O)C1 C13761 [1,1,0,0,0,0|1,0,0]=3 386 B7R1.2 O=C1CC[C@H](O)C1 H22750 [1,1,0,0,0,0|1,0,0]=3 387 B7R1.2 O=C1CSC(=O)N1 T69276 [1,1,0,0,0,0|1,0,1]=4 388 B7R1.2 O=C1CSC(=S)N1 T68348 [1,1,0,0,0,0|1,0,1]=4 389 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [1,1,0,0,0,0|2,0,0]=4 390 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [1,1,0,0,0,0|2,0,0]=4 391 B7R1.2 O=C1C[C@H](O)CN1 H15629 [1,1,0,0,0,0|2,0,0]=4 392 B7R1.2 O=C1C[C@H](O)CN1 H38056 [1,1,0,0,0,0|2,0,0]=4 393 B7R1.14 CC1(C)CCCN1 D24602 [1,1,0,0,0,0|1,0,1]=4 394 B7R1.14 CC1(O)CCCC1 M41551 [1,1,0,0,0,0|1,0,1]=4 395 B7R1.8 CN1CC[C@@H]1CN A14392 [0,1,0,0,1,0|2,0,0]=4 396 B7R1.8 CN1CC[C@@H]1CN A14394 [0,1,0,0,1,0|2,0,0]=4 397 B7R1.8 CN1CC[C@H]1CN A14393 [0,1,0,0,1,0|2,0,0]=4 398 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [0,1,0,0,1,0|1,0,1]=4 399 B7R1.8 NCC1CCC1F F59751 [0,1,0,0,1,0|1,0,1]=4 400 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,0,1,0|0,0,0]=2 401 B7R1.8 OCC1CCC1F F60214 [0,1,0,0,1,0|1,0,1]=4 402 B7R1.17 CC1(C)CCC1=O D60316 [0,1,0,0,1,0|0,0,0]=2 403 B7R1.17 CC1(C)CC[C@@H]1O D60329 [0,1,0,0,1,0|0,0,2]=4 404 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,1,0,0,0,1|1,0,1]=4 405 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,0,0,1|1,0,0]=3 406 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,1,0,0,0,1|2,0,0]=4 407 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,0,0,1|2,0,0]=4 408 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,0,0,1|2,0,0]=4 409 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,0,0,1|1,0,1]=4 410 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,1,0,0,0,1|0,1,0]=3 411 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,1,0,0,0,1|1,0,0]=3 412 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,1,0,0,0,1|0,1,0]=3 413 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,1,0,0,0,1|1,0,0]=3 414 B9R1.69 C[C@@H]1NC(=O)CNC1=O M65174 [0,1,0,0,0,1|2,0,0]=4 415 B9R1.15 CO[C@H]1COCCC1=O M10506 [0,1,0,0,0,1|0,1,0]=3 416 B9R1.15 N#C[C@H]1CNCCC1=O C10195 [0,1,0,0,0,1|1,0,1]=4 417 B9R1.40 CC1(C)CCCOC1=O D63281 [0,1,0,0,0,1|1,0,0]=3 418 B9R1.40 CC1(C)CNCCC1=O D11692 [0,1,0,0,0,1|1,0,0]=3 419 B9R1.40 CC1(C)COCCC1=O D24609 [0,1,0,0,0,1|0,1,0]=3 420 B9R1.40 CC1(C)NCCNC1=O D10774 [0,1,0,0,0,1|1,0,0]=3 421 B9R1.40 O=C1CCNCC1(F)F D11695 [0,1,0,0,0,1|2,0,0]=4 422 B9R1.41 CC(=O)[C@@H]1CCOC1=O A60775 [0,2,0,0,0,0|2,0,0]=4 423 B9R1.132 CN1CC[C@H](CO)C1=O H41509 [0,2,0,0,0,0|2,0,0]=4 424 B9R1.23 CN1C[C@@H](CN)CC1=O A10326 [0,2,0,0,0,0|2,0,0]=4 425 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,2,0,0,0,0|1,0,1]=4 426 B9R1.106 CC1(C)C(=O)CCC1=O D43718 [0,2,0,0,0,0|1,0,0]=3 427 B9R1.106 CC1(C)C(=O)NC[C@@H]1N A20133 [0,2,0,0,0,0|2,0,0]=4 428 B9R1.106 CC1(C)C(=O)NC[C@@H]1N A20919 [0,2,0,0,0,0|2,0,0]=4 429 B9R1.106 CC1(C)C(=O)NC[C@H]1N A20868 [0,2,0,0,0,0|2,0,0]=4 430 B7R1.3 BrC1CCSCC1 B31817 [0,0,1,1,0,0|1,0,1]=4 431 B7R1.3 C=C1CCNCC1 M19855 [0,0,1,1,0,0|2,0,0]=4 432 B7R1.3 C=C1CCOCC1 M23324 [0,0,1,1,0,0|1,1,0]=4 433 B7R1.3 CC1SCCCS1 M63108 [0,0,1,1,0,0|2,0,0]=4 434 B7R1.3 IC1CCSCC1 I31818 [0,0,1,1,0,0|1,0,1]=4 435 B7R1.3 NC1CCSCC1 T22381 [0,0,1,1,0,0|1,0,1]=4 436 B7R1.3 NC1CCSCC1 T5312 [0,0,1,1,0,0|1,0,1]=4 437 B7R1.3 O=C1CCCCN1 P69632 [0,0,1,1,0,0|2,0,0]=4 438 B7R1.3 O=C1CCCNC1 P1523 [0,0,1,1,0,0|2,0,0]=4 439 B7R1.3 O=C1CCCNC1 P31811 [0,0,1,1,0,0|2,0,0]=4 440 B7R1.3 O=C1CCCOC1 T7026 [0,0,1,1,0,0|2,0,0]=4 441 B7R1.3 O=C1CCCSC1 T1776 [0,0,1,1,0,0|2,0,0]=4 442 B7R1.3 O=C1CCNCC1 P23503 [0,0,1,1,0,0|1,0,0]=3 443 B7R1.3 O=C1CCOCC1 T4632 [0,0,1,1,0,0|0,1,0]=3 444 B7R1.3 O=C1CCSCC1 T6200 [0,0,1,1,0,0|0,0,0]=2 445 B7R1.3 O=S1CCNCC1 T5787 [0,0,1,1,0,0|2,0,0]=4 446 B7R1.3 OC1CCSCC1 H31816 [0,0,1,1,0,0|0,0,2]=4 447 B7R1.3 [Mg+]C1CCSCC1 T31824 [0,0,1,1,0,0|1,0,1]=4 448 B7R1.22 CCC(=O)C1CC1 C24823 [0,0,1,1,0,0|1,0,0]=3 449 B7R1.25 CC1(C=O)COC1 M6233 [0,0,1,1,0,0|2,0,0]=4 450 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,1,1,0,0|2,0,0]=4 451 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,1,1,0,0|2,0,0]=4 452 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,1,1,0,0|2,0,0]=4 453 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,1,1,0,0|2,0,0]=4 454 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,1,1,0,0|1,0,0]=3 455 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,1,1,0,0|2,0,0]=4 456 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,1,1,0,0|2,0,0]=4 457 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,1,1,0,0|2,0,0]=4 458 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,1,1,0,0|2,0,0]=4 459 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,1,1,0,0|2,0,0]=4 460 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,1,1,0,0|1,1,0]=4 461 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,1,1,0,0|1,1,0]=4 462 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,1,1,0,0|2,0,0]=4 463 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,1,1,0,0|2,0,0]=4 464 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,1,1,0,0|1,1,0]=4 465 B7R1.19 CC1(C(=O)Cl)CC1 M21667 [0,0,1,1,0,0|2,0,0]=4 466 B7R1.19 CC1(C(=O)O)CC1 M10729 [0,0,1,1,0,0|2,0,0]=4 467 B7R1.19 CC1(C(N)=O)CC1 M41258 [0,0,1,1,0,0|2,0,0]=4 468 B7R1.24 C1=CCCNCC1 T67173 [0,0,1,1,0,0|2,0,0]=4 469 B7R1.24 C1CNCCSC1 H6236 [0,0,1,1,0,0|1,0,1]=4 470 B7R2.11 C1NC2CC1C2 A10797 [1,0,0,1,0,0|1,0,1]=4 471 B7R2.11 C1NC2CC1C2 A6593 [1,0,0,1,0,0|1,0,1]=4 472 B7R2.13 C1CC2CC2N1 A13958 [1,0,0,1,0,0|1,0,1]=4 473 B7R2.13 C1CC2CC2N1 A25593 [1,0,0,1,0,0|1,0,1]=4 474 B9R2.8 O=C1CC2CC(C1)C2 B60206 [0,0,0,1,0,1|1,0,0]=3 475 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,1,0,1|2,0,0]=4 476 B9R2.39 O=C1NC2C=CC1C2 A0848 [0,0,0,1,0,1|1,0,1]=4 477 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,1,0,1|1,0,0]=3 478 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 A29605 [0,0,0,1,0,1|1,0,1]=4 479 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 A25418 [0,0,0,1,0,1|1,0,1]=4 480 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,1,0,1|1,0,0]=3 481 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,1,0,1|2,0,0]=4 482 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,1,0,1|1,0,0]=3 483 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,1,0,1|2,0,0]=4 484 B9R2.19 O=C1NCC2CC1N2 X13999 [0,0,0,1,0,1|1,0,0]=3 485 B9R2.53 O=C1C2CNCC1C2 A20053 [0,0,0,1,0,1|1,0,0]=3 486 B5R1.2 BrC1CCC1 B23687 [1,0,0,0,1,0|1,0,1]=4 487 B5R1.2 CC1CNC1 M1321 [1,0,0,0,1,0|1,0,1]=4 488 B5R1.2 C[C@H]1CCN1 M29512 [1,0,0,0,1,0|1,0,0]=3 489 B5R1.2 IC1CCC1 I23424 [1,0,0,0,1,0|1,0,1]=4 490 B5R1.2 NC1CCC1 C60561 [1,0,0,0,1,0|1,0,1]=4 491 B5R1.2 NC1CSC1 T6025 [1,0,0,0,1,0|1,0,1]=4 492 B5R1.2 O=C1CCC1 C8674 [1,0,0,0,1,0|0,0,0]=2 493 B5R1.2 O=C1CNC1 A1318 [1,0,0,0,1,0|1,0,0]=3 494 B5R1.2 O=C1COC1 O4015 [1,0,0,0,1,0|0,1,0]=3 495 B5R1.2 O=C1CSC1 T6026 [1,0,0,0,1,0|0,0,0]=2 496 B5R1.2 [Mg+]C1CCC1 P5028 [1,0,0,0,1,0|1,0,1]=4 497 B5R1.4 C[C@@H]1C[C@H]1N M40340 [0,0,0,0,2,0|1,0,1]=4 498 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,0,0,2|1,0,0]=3 499 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,0,0,0,0,2|2,0,0]=4 500 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,0,0,0,0,2|2,0,0]=4 501 B9R1.5 CN1CCCCCC1=O M39292 [0,0,0,0,0,2|2,0,0]=4 502 B9R1.5 CN1CCCNCC1=O M1178 [0,0,0,0,0,2|2,0,0]=4 503 B9R1.5 CN1CCNCCC1=O M41536 [0,0,0,0,0,2|2,0,0]=4 504 B9R1.5 CN1CCNCCC1=O M43468 [0,0,0,0,0,2|2,0,0]=4 505 B9R1.5 N[C@@H]1CCCCNC1=O A43466 [0,0,0,0,0,2|2,0,0]=4 506 B9R1.5 N[C@H]1CCCCNC1=O A24830 [0,0,0,0,0,2|2,0,0]=4 507 B9R1.5 N[C@H]1CCCCNC1=O A43463 [0,0,0,0,0,2|2,0,0]=4