0 B7R1.2 CC1=CC(=O)CC1 M22783 [0,0,0,0,0,0|1,0,1]=2 1 B7R1.2 CC1=CC(=O)CO1 M41117 [0,0,0,0,0,0|2,0,1]=3 2 B7R1.2 CC1=CC(=O)NN1 M12010 [0,0,0,0,0,0|3,0,1]=4 3 B7R1.2 CC1=CC(=O)NO1 M68379 [0,0,0,0,0,0|3,0,1]=4 4 B7R1.2 CC1=CC=C(Br)O1 B41015 [0,0,0,0,0,0|1,0,3]=4 5 B7R1.2 CC1=NN=C(Br)O1 B62443 [0,0,0,0,0,0|3,0,1]=4 6 B7R1.2 CC1=NN=C(C)O1 D13454 [0,0,0,0,0,0|3,0,1]=4 7 B7R1.2 CC1=NN=C(N)O1 M5216 [0,0,0,0,0,0|3,0,1]=4 8 B7R1.2 CC1=NNC(=O)C1 M68628 [0,0,0,0,0,0|3,0,1]=4 9 B7R1.2 CC1=NNC(=O)O1 M39837 [0,0,0,0,0,0|2,0,1]=3 10 B7R1.2 CC1=NNC(=S)O1 M62067 [0,0,0,0,0,0|2,1,1]=4 11 B7R1.2 CN1C=CC(=O)N1 M40182 [0,0,0,0,0,0|2,0,2]=4 12 B7R1.2 CN1CCC(=O)C1 M5444 [0,0,0,0,0,0|2,0,0]=2 13 B7R1.2 CN1CC[C@@H](N)C1 M0134 [0,0,0,0,0,0|3,0,1]=4 14 B7R1.2 CN1CC[C@@H](O)C1 H0285 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.2 CN1CC[C@H](N)C1 M0133 [0,0,0,0,0,0|3,0,1]=4 16 B7R1.2 CN1CC[C@H](N)C1 M0135 [0,0,0,0,0,0|3,0,1]=4 17 B7R1.2 CN1CC[C@H](O)C1 H0283 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.2 CN1CC[C@H](O)C1 H0284 [0,0,0,0,0,0|2,0,2]=4 19 B7R1.2 C[C@@H]1CC[C@@H](C)N1 D60301 [0,0,0,0,0,0|2,0,1]=3 20 B7R1.2 C[C@@H]1CNC(=O)C1 P22910 [0,0,0,0,0,0|2,0,0]=2 21 B7R1.2 C[C@@H]1COC(=O)N1 M32194 [0,0,0,0,0,0|2,0,0]=2 22 B7R1.2 C[C@@H]1C[C@H](O)CN1 M29502 [0,0,0,0,0,0|2,0,2]=4 23 B7R1.2 C[C@H]1CCC(=O)N1 M61805 [0,0,0,0,0,0|1,0,0]=1 24 B7R1.2 C[C@H]1COC(=O)N1 M40226 [0,0,0,0,0,0|2,0,0]=2 25 B7R1.2 C[C@H]1C[C@H](O)CN1 M29501 [0,0,0,0,0,0|2,0,2]=4 26 B7R1.2 NC1=NC(=O)CO1 A39836 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.2 NC1=NC(=O)CS1 A2444 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 NC1=NC(=O)CS1 A67692 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.2 NC1=NCC(=O)S1 A64749 [0,0,0,0,0,0|2,1,1]=4 30 B7R1.2 NC1CCC(O)C1 A1764 [0,0,0,0,0,0|2,0,2]=4 31 B7R1.2 N[C@@H]1CC[C@@H](O)C1 A27718 [0,0,0,0,0,0|2,0,2]=4 32 B7R1.2 N[C@@H]1CC[C@H](O)C1 A11831 [0,0,0,0,0,0|2,0,2]=4 33 B7R1.2 N[C@@H]1CC[C@H](O)C1 A18160 [0,0,0,0,0,0|2,0,2]=4 34 B7R1.2 N[C@@H]1CNC(=O)C1 A11620 [0,0,0,0,0,0|3,0,0]=3 35 B7R1.2 N[C@@H]1CNC(=O)C1 A20556 [0,0,0,0,0,0|3,0,0]=3 36 B7R1.2 N[C@@H]1CNC(=O)C1 A24834 [0,0,0,0,0,0|3,0,0]=3 37 B7R1.2 N[C@@H]1CNC(=O)C1 P21713 [0,0,0,0,0,0|3,0,0]=3 38 B7R1.2 N[C@@H]1COC(=O)C1 A40337 [0,0,0,0,0,0|3,0,0]=3 39 B7R1.2 N[C@H]1CC[C@@H](F)C1 F60334 [0,0,0,0,0,0|3,0,1]=4 40 B7R1.2 N[C@H]1CC[C@@H](N)C1 C41386 [0,0,0,0,0,0|3,0,1]=4 41 B7R1.2 N[C@H]1CC[C@@H](O)C1 A18401 [0,0,0,0,0,0|2,0,2]=4 42 B7R1.2 N[C@H]1CC[C@H](N)C1 C41388 [0,0,0,0,0,0|3,0,1]=4 43 B7R1.2 N[C@H]1CC[C@H](O)C1 A11832 [0,0,0,0,0,0|2,0,2]=4 44 B7R1.2 N[C@H]1CC[C@H](O)C1 A20210 [0,0,0,0,0,0|2,0,2]=4 45 B7R1.2 N[C@H]1CNC(=O)C1 A27147 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.2 N[C@H]1COC(=O)C1 A37707 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.2 O=C1C=C(Br)CO1 B3416 [0,0,0,0,0,0|3,0,1]=4 48 B7R1.2 O=C1CCC(=O)C1 C13761 [0,0,0,0,0,0|2,0,1]=3 49 B7R1.2 O=C1CC[C@H](O)C1 H22750 [0,0,0,0,0,0|2,0,0]=2 50 B7R1.2 O=C1CNC(=O)N1 K68378 [0,0,0,0,0,0|3,0,1]=4 51 B7R1.2 O=C1CNC(=O)O1 X68377 [0,0,0,0,0,0|2,0,1]=3 52 B7R1.2 O=C1CSC(=O)N1 T69276 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.2 O=C1CSC(=S)N1 T68348 [0,0,0,0,0,0|3,0,1]=4 54 B7R1.2 O=C1C[C@@H](O)CN1 H22487 [0,0,0,0,0,0|3,0,0]=3 55 B7R1.2 O=C1C[C@@H](S)CN1 M12154 [0,0,0,0,0,0|3,0,0]=3 56 B7R1.2 O=C1C[C@H](O)CN1 H15629 [0,0,0,0,0,0|3,0,0]=3 57 B7R1.2 O=C1C[C@H](O)CN1 H38056 [0,0,0,0,0,0|3,0,0]=3 58 B7R1.2 O=C1OC[C@H](F)O1 F39135 [0,0,0,0,0,0|2,0,0]=2 59 B7R1.2 OC1CCC(O)C1 C24450 [0,0,0,0,0,0|2,0,2]=4 60 B7R1.2 O[C@@H]1CC[C@@H](O)C1 C20800 [0,0,0,0,0,0|2,0,2]=4 61 B7R1.2 O[C@H]1CC[C@@H](O)C1 C20799 [0,0,0,0,0,0|2,0,2]=4 62 B6R1.2 Br[C@H]1CCNC1 B40246 [1,0,0,0,0,0|3,0,0]=4 63 B6R1.2 Br[C@H]1CCOC1 B0393 [1,0,0,0,0,0|3,0,0]=4 64 B6R1.2 CC1=NCCC1 M41239 [1,0,0,0,0,0|2,0,0]=3 65 B6R1.2 CC1=NN=CO1 M32022 [1,0,0,0,0,0|2,0,1]=4 66 B6R1.2 C[C@@H]1CCCN1 M23610 [1,0,0,0,0,0|1,0,1]=3 67 B6R1.2 C[C@@H]1CCNC1 M22540 [1,0,0,0,0,0|2,0,0]=3 68 B6R1.2 C[C@H]1CCCN1 M21836 [1,0,0,0,0,0|1,0,1]=3 69 B6R1.2 C[C@H]1CCCN1 M24199 [1,0,0,0,0,0|1,0,1]=3 70 B6R1.2 C[C@H]1CCCN1 M24435 [1,0,0,0,0,0|1,0,1]=3 71 B6R1.2 C[C@H]1CCNC1 M22012 [1,0,0,0,0,0|2,0,0]=3 72 B6R1.2 C[C@H]1CCNC1 M69520 [1,0,0,0,0,0|2,0,0]=3 73 B6R1.2 F[C@@H]1CCNC1 F7494 [1,0,0,0,0,0|3,0,0]=4 74 B6R1.2 F[C@H]1CCNC1 F0136 [1,0,0,0,0,0|3,0,0]=4 75 B6R1.2 F[C@H]1CCNC1 F7493 [1,0,0,0,0,0|3,0,0]=4 76 B6R1.2 IC1CCCC1 I20419 [1,0,0,0,0,0|2,0,1]=4 77 B6R1.2 I[C@@H]1CCOC1 I1538 [1,0,0,0,0,0|3,0,0]=4 78 B6R1.2 I[C@H]1CCOC1 I0392 [1,0,0,0,0,0|3,0,0]=4 79 B6R1.2 I[C@H]1CCOC1 I1672 [1,0,0,0,0,0|3,0,0]=4 80 B6R1.2 NC1=NCCC1 D38561 [1,0,0,0,0,0|2,0,0]=3 81 B6R1.2 NC1CC=CC1 A13279 [1,0,0,0,0,0|2,0,1]=4 82 B6R1.2 N[C@@H]1CCNC1 P16877 [1,0,0,0,0,0|3,0,0]=4 83 B6R1.2 N[C@@H]1CCNC1 P16878 [1,0,0,0,0,0|3,0,0]=4 84 B6R1.2 N[C@@H]1CCOC1 A7431 [1,0,0,0,0,0|3,0,0]=4 85 B6R1.2 N[C@@H]1CCOC1 X16388 [1,0,0,0,0,0|3,0,0]=4 86 B6R1.2 N[C@H]1CCNC1 P16879 [1,0,0,0,0,0|3,0,0]=4 87 B6R1.2 N[C@H]1CCNC1 P68854 [1,0,0,0,0,0|3,0,0]=4 88 B6R1.2 N[C@H]1CCOC1 A0023 [1,0,0,0,0,0|3,0,0]=4 89 B6R1.2 N[C@H]1CCOC1 A7432 [1,0,0,0,0,0|3,0,0]=4 90 B6R1.2 N[C@H]1CCOC1 T40344 [1,0,0,0,0,0|3,0,0]=4 91 B6R1.2 N[C@H]1CCOC1 X22238 [1,0,0,0,0,0|3,0,0]=4 92 B6R1.2 O=C1C=CCC1 C26583 [1,0,0,0,0,0|1,0,1]=3 93 B6R1.2 O=C1C=CCO1 F5673 [1,0,0,0,0,0|0,0,2]=3 94 B6R1.2 O=C1CC=CC1 C19712 [1,0,0,0,0,0|1,0,2]=4 95 B6R1.2 O=C1CC=NN1 P39834 [1,0,0,0,0,0|2,0,1]=4 96 B6R1.2 O=C1CCNC1 P0198 [1,0,0,0,0,0|2,0,0]=3 97 B6R1.2 O=C1CCNN1 P39917 [1,0,0,0,0,0|2,0,0]=3 98 B6R1.2 O=C1CCOC1 X0391 [1,0,0,0,0,0|2,0,0]=3 99 B6R1.2 O=C1CCSC1 D10906 [1,0,0,0,0,0|2,0,0]=3 100 B6R1.2 O=C1NC=CO1 X39828 [1,0,0,0,0,0|1,0,2]=4 101 B6R1.2 O=C1NCCN1 K62398 [1,0,0,0,0,0|2,0,0]=3 102 B6R1.2 O=C1NCCS1 T39859 [1,0,0,0,0,0|1,1,0]=3 103 B6R1.2 OC1CC=CC1 C67522 [1,0,0,0,0,0|2,0,1]=4 104 B6R1.2 O[C@@H]1CCNC1 H7458 [1,0,0,0,0,0|3,0,0]=4 105 B6R1.2 O[C@@H]1CCNC1 P4643 [1,0,0,0,0,0|3,0,0]=4 106 B6R1.2 O[C@@H]1CCOC1 H7563 [1,0,0,0,0,0|3,0,0]=4 107 B6R1.2 O[C@H]1CCNC1 H0275 [1,0,0,0,0,0|3,0,0]=4 108 B6R1.2 O[C@H]1CCNC1 H7496 [1,0,0,0,0,0|3,0,0]=4 109 B6R1.2 O[C@H]1CCNC1 P0679 [1,0,0,0,0,0|3,0,0]=4 110 B6R1.2 O[C@H]1CCOC1 H0466 [1,0,0,0,0,0|3,0,0]=4 111 B6R1.2 O[C@H]1CCOC1 H10322 [1,0,0,0,0,0|3,0,0]=4 112 B6R1.2 [Mg+][C@H]1CCOC1 T2962 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.1 C=C[C@@H]1COC(=O)C1 V64256 [0,1,0,0,0,0|2,0,1]=4 114 B8R1.1 C=C[C@@H]1COC(=O)C1 V64417 [0,1,0,0,0,0|2,0,1]=4 115 B8R1.1 CC1=NN=C(C=O)O1 M36607 [0,1,0,0,0,0|2,0,1]=4 116 B8R1.1 CN1CC[C@@H](CN)C1 M13066 [0,1,0,0,0,0|3,0,0]=4 117 B8R1.1 CN1CC[C@@H](CN)C1 M30093 [0,1,0,0,0,0|3,0,0]=4 118 B8R1.1 CN1CC[C@@H](CO)C1 H7261 [0,1,0,0,0,0|3,0,0]=4 119 B8R1.1 CN1CC[C@H](CN)C1 M13065 [0,1,0,0,0,0|3,0,0]=4 120 B8R1.1 CN1CC[C@H](CO)C1 H7260 [0,1,0,0,0,0|3,0,0]=4 121 B8R1.1 CN[C@@H]1CCN(C)C1 D25425 [0,1,0,0,0,0|3,0,0]=4 122 B8R1.1 CN[C@H]1CCN(C)C1 D1341 [0,1,0,0,0,0|3,0,0]=4 123 B8R1.1 CN[C@H]1CCN(C)C1 D25424 [0,1,0,0,0,0|3,0,0]=4 124 B8R1.1 CN[C@H]1CCN(C)C1 T24682 [0,1,0,0,0,0|3,0,0]=4 125 B8R1.1 COC1=CC(=O)CC1 M61379 [0,1,0,0,0,0|1,0,1]=3 126 B8R1.1 COC1=CC(=O)NC1 M41169 [0,1,0,0,0,0|2,0,1]=4 127 B8R1.1 COC1CCC(N)C1 M27196 [0,1,0,0,0,0|2,0,1]=4 128 B8R1.1 NC[C@@H]1CCC(=O)N1 A19938 [0,1,0,0,0,0|1,0,0]=2 129 B8R1.1 NC[C@@H]1CNC(=O)C1 A15732 [0,1,0,0,0,0|2,0,0]=3 130 B8R1.1 NC[C@@H]1CNC(=O)C1 A27672 [0,1,0,0,0,0|2,0,0]=3 131 B8R1.1 NC[C@@H]1CNC(=O)C1 A7263 [0,1,0,0,0,0|2,0,0]=3 132 B8R1.1 NC[C@@H]1CNC(=O)O1 A27512 [0,1,0,0,0,0|1,0,0]=2 133 B8R1.1 NC[C@H]1CCC(=O)N1 A64040 [0,1,0,0,0,0|1,0,0]=2 134 B8R1.1 NC[C@H]1CNC(=O)C1 A18478 [0,1,0,0,0,0|2,0,0]=3 135 B8R1.1 NC[C@H]1CNC(=O)C1 A27671 [0,1,0,0,0,0|2,0,0]=3 136 B8R1.1 NC[C@H]1CNC(=O)O1 A10733 [0,1,0,0,0,0|1,0,0]=2 137 B8R1.1 NC[C@H]1CNC(=O)O1 A21197 [0,1,0,0,0,0|1,0,0]=2 138 B8R1.1 NC[C@H]1COC(=O)N1 A13336 [0,1,0,0,0,0|2,0,0]=3 139 B8R1.1 O=C1C=C(CBr)CO1 B31582 [0,1,0,0,0,0|2,0,1]=4 140 B8R1.1 O=C1C=C(CI)CO1 I6261 [0,1,0,0,0,0|2,0,1]=4 141 B8R1.1 O=C1C=C(CO)CO1 H1535 [0,1,0,0,0,0|2,0,1]=4 142 B8R1.1 O=C1CC[C@@H](CBr)N1 B41220 [0,1,0,0,0,0|1,0,0]=2 143 B8R1.1 O=C1CC[C@@H](CO)N1 H21817 [0,1,0,0,0,0|1,0,0]=2 144 B8R1.1 O=C1CC[C@@H](CO)O1 H41229 [0,1,0,0,0,0|0,0,0]=1 145 B8R1.1 O=C1CC[C@H](CBr)N1 B32099 [0,1,0,0,0,0|1,0,0]=2 146 B8R1.1 O=C1CC[C@H](CBr)O1 B66357 [0,1,0,0,0,0|0,0,0]=1 147 B8R1.1 O=C1CC[C@H](CI)N1 I2851 [0,1,0,0,0,0|1,0,0]=2 148 B8R1.1 O=C1CC[C@H](CI)O1 I2850 [0,1,0,0,0,0|0,0,0]=1 149 B8R1.1 O=C1CC[C@H](CO)N1 H24798 [0,1,0,0,0,0|1,0,0]=2 150 B8R1.1 O=C1CC[C@H](CO)N1 H7102 [0,1,0,0,0,0|1,0,0]=2 151 B8R1.1 O=C1CC[C@H](CO)O1 H5013 [0,1,0,0,0,0|0,0,0]=1 152 B8R1.1 O=C1C[C@H](CO)CN1 H14660 [0,1,0,0,0,0|2,0,0]=3 153 B8R1.1 O=C1NC[C@@H](CCl)O1 C40210 [0,1,0,0,0,0|1,0,0]=2 154 B8R1.1 O=C1NC[C@@H](CO)O1 H26969 [0,1,0,0,0,0|1,0,0]=2 155 B8R1.1 O=C1NC[C@H](CO)O1 H25217 [0,1,0,0,0,0|1,0,0]=2 156 B8R1.1 O=C1N[C@@H](CI)CO1 K40211 [0,1,0,0,0,0|2,0,0]=3 157 B8R1.1 O=C1N[C@@H](CO)CO1 H62331 [0,1,0,0,0,0|2,0,0]=3 158 B8R1.18 CC1=C(C)OC(=O)O1 D39178 [0,1,0,0,0,0|1,0,2]=4 159 B8R1.18 CC1=CC(=O)C[C@@H]1C D43712 [0,1,0,0,0,0|1,0,1]=3 160 B8R1.18 CC1=CC(=O)O[C@@H]1O H32216 [0,1,0,0,0,0|1,0,2]=4 161 B8R1.18 CC1=CC(=O)[C@H](C)O1 D43303 [0,1,0,0,0,0|1,0,2]=4 162 B8R1.18 CN1C[C@@H](N)CC1=O A14746 [0,1,0,0,0,0|3,0,0]=4 163 B8R1.18 C[C@@H]1NC(=O)OC1=O M40162 [0,1,0,0,0,0|2,0,1]=4 164 B8R1.18 C[C@H]1CC(=O)OC1=O M41122 [0,1,0,0,0,0|1,0,1]=3 165 B8R1.18 O=C1C=C(Cl)[C@@H](O)O1 C40066 [0,1,0,0,0,0|1,0,2]=4 166 B8R1.50 CC1C(=O)CCC1=O M25293 [0,1,0,0,0,0|2,0,1]=4 167 B8R1.50 O=C1CCC(=O)N1Br B37031 [0,1,0,0,0,0|2,0,1]=4 168 B8R1.50 O=C1CCC(=O)N1I I1787 [0,1,0,0,0,0|2,0,1]=4 169 B8R1.50 O=C1CCC(=O)N1O H68064 [0,1,0,0,0,0|2,0,1]=4 170 B8R1.50 O=C1OC[C@@H](O)[C@H]1O D40215 [0,1,0,0,0,0|3,0,0]=4 171 B8R1.51 C=C1COC(C)(C)O1 D8451 [0,1,0,0,0,0|2,0,0]=3 172 B8R1.51 CC1(C)CCC(=O)N1 D38848 [0,1,0,0,0,0|1,0,0]=2 173 B8R1.51 CC1(C)CCC(=O)O1 D41465 [0,1,0,0,0,0|0,0,0]=1 174 B8R1.51 CC1(C)CNC(=O)C1 D6966 [0,1,0,0,0,0|2,0,0]=3 175 B8R1.51 CC1(C)COC(=O)N1 D0615 [0,1,0,0,0,0|2,0,0]=3 176 B8R1.51 CC1(O)CCC(N)C1 H14948 [0,1,0,0,0,0|2,0,1]=4 177 B8R1.51 N[C@@H]1CCS(=O)(=O)C1 A64489 [0,1,0,0,0,0|3,0,0]=4 178 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A12453 [0,1,0,0,0,0|3,0,0]=4 179 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A24037 [0,1,0,0,0,0|3,0,0]=4 180 B8R1.51 N[C@H]1CCS(=O)(=O)C1 A64487 [0,1,0,0,0,0|3,0,0]=4 181 B8R1.51 O=C1CCS(=O)(=O)C1 D8866 [0,1,0,0,0,0|3,0,0]=4 182 B6R0.1 C=C(OCC)[Zn]Cl E4486 [0,0,1,0,0,0|3,0,0]=4 183 B6R0.1 CC#CC(=O)OC M62298 [0,0,1,0,0,0|2,0,1]=4 184 B6R0.1 CC=CC(=O)CC H41457 [0,0,1,0,0,0|1,0,1]=3 185 B6R0.1 CCC[C@@H](Cl)CC C63946 [0,0,1,0,0,0|2,0,1]=4 186 B6R0.1 CCOC(=O)C#N E15572 [0,0,1,0,0,0|1,0,1]=3 187 B6R0.1 CCOC(=O)CN G69291 [0,0,1,0,0,0|1,0,0]=2 188 B6R0.1 CCOC(=O)CO E37817 [0,0,1,0,0,0|1,0,0]=2 189 B6R0.1 CCOC(=O)NN E39139 [0,0,1,0,0,0|2,0,0]=3 190 B6R0.1 CCOC(=O)OC E40254 [0,0,1,0,0,0|1,0,0]=2 191 B6R0.1 CCO\C(C)=N\O E68624 [0,0,1,0,0,0|3,0,0]=4 192 B6R0.1 CNC(=O)CCN A40306 [0,0,1,0,0,0|3,0,0]=4 193 B6R0.1 COC(=O)CCBr M39155 [0,0,1,0,0,0|3,0,0]=4 194 B6R0.1 COC(=O)CCN M67902 [0,0,1,0,0,0|3,0,0]=4 195 B6R0.1 COC(=O)CCO M24551 [0,0,1,0,0,0|3,0,0]=4 196 B6R0.1 COC(=O)OCCl C62332 [0,0,1,0,0,0|2,0,0]=3 197 B6R0.2 CC(=O)C=C(C)N A41256 [0,0,1,0,0,0|2,0,1]=4 198 B6R0.2 CC(=O)NC(C)C P40402 [0,0,1,0,0,0|1,0,0]=2 199 B6R0.2 CC(=O)O[C@H](C)Br B40231 [0,0,1,0,0,0|1,0,0]=2 200 B6R0.2 CC(C)C[C@H](C)N M43511 [0,0,1,0,0,0|2,0,1]=4 201 B6R0.2 CC(C)NC(C)C D64760 [0,0,1,0,0,0|2,0,1]=4 202 B6R0.2 CN(C)CC(=O)Cl D40251 [0,0,1,0,0,0|3,0,0]=4 203 B6R0.2 C[C@@H](N)CC(=O)O A37837 [0,0,1,0,0,0|3,0,0]=4 204 B6R0.2 C[C@@H](N)CC(=O)O A40348 [0,0,1,0,0,0|3,0,0]=4 205 B6R0.2 C[C@@H](O)CC(=O)[O-] S37350 [0,0,1,0,0,0|3,0,0]=4 206 B6R0.2 C[C@H](N)CC(=O)O A40265 [0,0,1,0,0,0|3,0,0]=4 207 B6R0.2 C[C@H](O)CC(=O)O H38871 [0,0,1,0,0,0|3,0,0]=4 208 B6R0.2 C[C@H](O)CC(=O)[O-] S40298 [0,0,1,0,0,0|3,0,0]=4 209 B6R0.4 C#CCCC(=O)O P68088 [0,0,1,0,0,0|0,0,2]=3 210 B6R0.4 C=CCCC(=O)O P37823 [0,0,1,0,0,0|0,0,2]=3 211 B6R0.4 C=CCCC(N)=O P5022 [0,0,1,0,0,0|1,0,2]=4 212 B6R0.4 CC(=O)CCCCl C68599 [0,0,1,0,0,0|2,0,0]=3 213 B6R0.4 CC(=O)NCCN A68626 [0,0,1,0,0,0|3,0,0]=4 214 B6R0.4 CC(=O)NCCO H68625 [0,0,1,0,0,0|3,0,0]=4 215 B6R0.4 CC(=O)OCCBr B67892 [0,0,1,0,0,0|3,0,0]=4 216 B6R0.4 CC(C)CCCO M67872 [0,0,1,0,0,0|1,0,2]=4 217 B6R0.4 CCCCC(=N)N P41343 [0,0,1,0,0,0|2,0,0]=3 218 B6R0.4 CCCCC(=O)[O-] S38573 [0,0,1,0,0,0|0,0,1]=2 219 B6R0.4 CCCOC(N)=O P40264 [0,0,1,0,0,0|2,0,0]=3 220 B6R0.4 CNCCC(=O)O M40350 [0,0,1,0,0,0|1,0,0]=2 221 B6R0.4 COCCC(=O)O M40255 [0,0,1,0,0,0|1,0,0]=2 222 B6R0.4 N#CCCC(=O)O C69146 [0,0,1,0,0,0|1,0,1]=3 223 B6R0.4 NCCCC(N)=O A40304 [0,0,1,0,0,0|2,0,0]=3 224 B6R0.4 O=C(O)CCCBr B39154 [0,0,1,0,0,0|1,0,0]=2 225 B6R0.4 O=C(O)CCCCl C40232 [0,0,1,0,0,0|1,0,0]=2 226 B6R0.4 O=C(O)\C=C\CBr B37272 [0,0,1,0,0,0|1,0,2]=4 227 B8R2.18 NC1CC2CC2C1 B11091 [0,0,0,1,0,0|2,0,1]=4 228 B8R2.18 O=C1CC2CC2C1 B43299 [0,0,0,1,0,0|1,0,0]=2 229 B8R2.34 C1CC2CCC1N2 A0698 [0,0,0,1,0,0|2,0,1]=4 230 B8R2.34 C1CC2CCC1N2 A8159 [0,0,0,1,0,0|2,0,1]=4 231 B6R1.4 CC1NCC1F F21597 [0,0,0,0,1,0|2,0,1]=4 232 B6R1.4 C[C@@H]1NC[C@@H]1O M60046 [0,0,0,0,1,0|1,0,2]=4 233 B6R1.4 C[C@@H]1OCC1=O M61882 [0,0,0,0,1,0|1,0,0]=2 234 B6R1.4 C[C@H]1COC1=O M6342 [0,0,0,0,1,0|1,0,0]=2 235 B6R1.4 N[C@@H]1CNC1=O A60450 [0,0,0,0,1,0|2,0,0]=3 236 B6R1.4 N[C@H]1CNC1=O A39918 [0,0,0,0,1,0|2,0,0]=3 237 B6R1.5 CC1CC(=O)C1 M17286 [0,0,0,0,1,0|1,0,0]=2 238 B6R1.5 CC1CC(N)C1 M41317 [0,0,0,0,1,0|2,0,1]=4 239 B6R1.5 NC1CC(=O)C1 A0660 [0,0,0,0,1,0|2,0,0]=3 240 B6R1.5 O=C1CC(Br)C1 B8012 [0,0,0,0,1,0|2,0,0]=3 241 B6R1.5 O=C1CC(F)C1 F13109 [0,0,0,0,1,0|2,0,0]=3 242 B6R1.5 O=C1CC(O)C1 H10121 [0,0,0,0,1,0|2,0,0]=3 243 B8R1.3 CC1=NNC(=O)CC1 M41199 [0,0,0,0,0,1|1,0,1]=3 244 B8R1.3 CC1CCC(=O)CC1 M39288 [0,0,0,0,0,1|1,0,0]=2 245 B8R1.3 CC1CCC(O)CC1 M61965 [0,0,0,0,0,1|1,0,2]=4 246 B8R1.3 CN1CCC(=O)CC1 M28326 [0,0,0,0,0,1|2,0,0]=3 247 B8R1.3 C[C@@H]1CC[C@H](O)CN1 M59818 [0,0,0,0,0,1|1,0,2]=4 248 B8R1.3 C[C@@H]1CNC(=O)CN1 M29571 [0,0,0,0,0,1|2,0,0]=3 249 B8R1.3 C[C@@H]1CO[C@H](C)CN1 D43484 [0,0,0,0,0,1|2,0,1]=4 250 B8R1.3 C[C@H]1CCC(=O)NC1 P23074 [0,0,0,0,0,1|1,0,0]=2 251 B8R1.3 C[C@H]1CC[C@@H](N)CC1 M46505 [0,0,0,0,0,1|2,0,1]=4 252 B8R1.3 C[C@H]1CC[C@H](N)CC1 M46506 [0,0,0,0,0,1|2,0,1]=4 253 B8R1.3 C[C@H]1CC[C@H](N)CC1 M68368 [0,0,0,0,0,1|2,0,1]=4 254 B8R1.3 C[C@H]1CNC(=O)CN1 M17917 [0,0,0,0,0,1|2,0,0]=3 255 B8R1.3 C[C@H]1CN[C@H](C)CO1 D41580 [0,0,0,0,0,1|2,0,1]=4 256 B8R1.3 C[C@H]1CO[C@@H](C)CN1 D43485 [0,0,0,0,0,1|2,0,1]=4 257 B8R1.3 NC1CCC(=O)CC1 A38581 [0,0,0,0,0,1|2,0,0]=3 258 B8R1.3 N[C@H]1CCC(=O)NC1 A0587 [0,0,0,0,0,1|2,0,0]=3 259 B8R1.3 O=C1CCC(=O)NC1 P24057 [0,0,0,0,0,1|2,0,1]=4 260 B8R1.3 O=C1CCC(O)CC1 H18838 [0,0,0,0,0,1|2,0,0]=3 261 B8R1.3 O=C1CC[C@H](O)CN1 H22093 [0,0,0,0,0,1|2,0,0]=3 262 B8R1.3 O=C1COC(=O)CO1 D40112 [0,0,0,0,0,1|2,0,1]=4 263 B8R1.4 CC1CC(N)CCO1 M26284 [0,0,0,0,0,1|2,0,1]=4 264 B8R1.4 CC1CC(O)CCN1 M11589 [0,0,0,0,0,1|1,0,2]=4 265 B8R1.4 CC1CC(O)CCO1 M14345 [0,0,0,0,0,1|1,0,2]=4 266 B8R1.4 CC1CNCC(C)C1 D39299 [0,0,0,0,0,1|2,0,1]=4 267 B8R1.4 CC1CNCC(C)N1 D4711 [0,0,0,0,0,1|2,0,1]=4 268 B8R1.4 CN1CCCC(=O)C1 M13651 [0,0,0,0,0,1|2,0,0]=3 269 B8R1.4 CN1CCNC(=O)C1 M6975 [0,0,0,0,0,1|2,0,0]=3 270 B8R1.4 CN1CCOC(=O)C1 M41260 [0,0,0,0,0,1|2,0,0]=3 271 B8R1.4 C[C@@H]1CC(=O)CCN1 M10735 [0,0,0,0,0,1|1,0,0]=2 272 B8R1.4 C[C@@H]1CC(=O)CCO1 M11329 [0,0,0,0,0,1|1,0,0]=2 273 B8R1.4 C[C@@H]1CN(C)CCN1 D27738 [0,0,0,0,0,1|3,0,0]=4 274 B8R1.4 C[C@@H]1CN(C)CCN1 D62333 [0,0,0,0,0,1|3,0,0]=4 275 B8R1.4 C[C@@H]1CNCC(=O)N1 M13313 [0,0,0,0,0,1|1,0,0]=2 276 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D13904 [0,0,0,0,0,1|2,0,1]=4 277 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D20228 [0,0,0,0,0,1|2,0,1]=4 278 B8R1.4 C[C@@H]1CNC[C@@H](C)N1 D43561 [0,0,0,0,0,1|2,0,1]=4 279 B8R1.4 C[C@@H]1COCC(=O)N1 M17373 [0,0,0,0,0,1|1,0,0]=2 280 B8R1.4 C[C@@H]1COC[C@@H](C)N1 D27896 [0,0,0,0,0,1|2,0,1]=4 281 B8R1.4 C[C@@H]1C[C@H](O)CCN1 M31245 [0,0,0,0,0,1|1,0,2]=4 282 B8R1.4 C[C@H]1CC(=O)CCN1 M10734 [0,0,0,0,0,1|1,0,0]=2 283 B8R1.4 C[C@H]1CC(=O)CCN1 M19737 [0,0,0,0,0,1|1,0,0]=2 284 B8R1.4 C[C@H]1CC(=O)CCN1 M8156 [0,0,0,0,0,1|1,0,0]=2 285 B8R1.4 C[C@H]1CC(=O)CCO1 M11328 [0,0,0,0,0,1|1,0,0]=2 286 B8R1.4 C[C@H]1CC(=O)CCO1 M14197 [0,0,0,0,0,1|1,0,0]=2 287 B8R1.4 C[C@H]1CCCC(=O)N1 M23832 [0,0,0,0,0,1|1,0,0]=2 288 B8R1.4 C[C@H]1CCNC(=O)C1 M23793 [0,0,0,0,0,1|1,0,0]=2 289 B8R1.4 C[C@H]1CN(C)CCN1 D41607 [0,0,0,0,0,1|3,0,0]=4 290 B8R1.4 C[C@H]1CNCC(=O)N1 M11164 [0,0,0,0,0,1|1,0,0]=2 291 B8R1.4 C[C@H]1CNC[C@@H](C)N1 D10658 [0,0,0,0,0,1|2,0,1]=4 292 B8R1.4 C[C@H]1CNC[C@@H](C)O1 D14096 [0,0,0,0,0,1|1,0,1]=3 293 B8R1.4 C[C@H]1CNC[C@H](C)N1 D11159 [0,0,0,0,0,1|2,0,1]=4 294 B8R1.4 C[C@H]1CNC[C@H](C)N1 D20216 [0,0,0,0,0,1|2,0,1]=4 295 B8R1.4 C[C@H]1CNC[C@H](C)O1 D22785 [0,0,0,0,0,1|1,0,1]=3 296 B8R1.4 C[C@H]1CNC[C@H](C)O1 D7921 [0,0,0,0,0,1|1,0,1]=3 297 B8R1.4 C[C@H]1COC[C@@H](C)N1 D11279 [0,0,0,0,0,1|2,0,1]=4 298 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M11590 [0,0,0,0,0,1|1,0,2]=4 299 B8R1.4 C[C@H]1C[C@@H](O)CCN1 M8079 [0,0,0,0,0,1|1,0,2]=4 300 B8R1.4 NC1=CC(=O)CCC1 A9456 [0,0,0,0,0,1|2,0,1]=4 301 B8R1.4 N[C@H]1CCNC(=O)C1 A0054 [0,0,0,0,0,1|2,0,0]=3 302 B8R1.4 N[C@H]1CCNC(=O)C1 A37105 [0,0,0,0,0,1|2,0,0]=3 303 B8R1.4 O=C1CCCC(=O)C1 C38740 [0,0,0,0,0,1|2,0,1]=4 304 B8R1.4 O=C1CCCC(=O)N1 P69653 [0,0,0,0,0,1|2,0,1]=4 305 B8R1.4 O=C1CCNC(=O)C1 P7969 [0,0,0,0,0,1|2,0,1]=4 306 B8R1.4 O=C1CNCC(=O)N1 P10757 [0,0,0,0,0,1|2,0,1]=4 307 B8R1.4 O=C1COCC(=O)C1 P7984 [0,0,0,0,0,1|2,0,1]=4 308 B8R1.4 O=C1CSCC(=O)C1 T15232 [0,0,0,0,0,1|2,0,1]=4 309 B8R1.4 O=C1C[C@@H](O)CCN1 H38902 [0,0,0,0,0,1|2,0,0]=3 310 B8R1.4 O=C1C[C@@H](O)CCN1 H41262 [0,0,0,0,0,1|2,0,0]=3 311 B8R1.4 O=C1[CH-]C(=O)COC1 S41303 [0,0,0,0,0,1|2,0,1]=4 312 B5R0.1 C#CCC(=O)O B38084 [1,0,1,0,0,0|0,0,2]=4 313 B5R0.1 C=C(C)OCC E5573 [1,0,1,0,0,0|1,0,0]=3 314 B5R0.1 C=CC[C@H](C)O P62507 [1,0,1,0,0,0|0,0,1]=3 315 B5R0.1 CC#CC(=O)O B67945 [1,0,1,0,0,0|0,0,2]=4 316 B5R0.1 CC(=O)CCCl C69539 [1,0,1,0,0,0|2,0,0]=4 317 B5R0.1 CCCB(O)O P5056 [1,0,1,0,0,0|1,0,1]=4 318 B5R0.1 CCC[C@@H](C)N P16023 [1,0,1,0,0,0|1,0,1]=4 319 B5R0.1 CCC[C@H](C)N P22363 [1,0,1,0,0,0|1,0,1]=4 320 B5R0.1 CCOC(=N)N E36845 [1,0,1,0,0,0|2,0,0]=4 321 B5R0.1 CCOC(=S)[S-] P69346 [1,0,1,0,0,0|1,1,0]=4 322 B5R0.1 CCOC(C)=N E68065 [1,0,1,0,0,0|1,0,0]=3 323 B5R0.1 CN(C)CC=O D39943 [1,0,1,0,0,0|2,0,0]=4 324 B5R0.1 CN(C)NC=O D66358 [1,0,1,0,0,0|2,0,0]=4 325 B5R0.1 CNCC(=O)O M68590 [1,0,1,0,0,0|1,0,0]=3 326 B5R0.1 CNCC(N)=O M68358 [1,0,1,0,0,0|2,0,0]=4 327 B5R0.1 COCC(=O)O M69331 [1,0,1,0,0,0|1,0,0]=3 328 B5R0.1 COC[C@@H](C)O M39959 [1,0,1,0,0,0|1,0,1]=4 329 B5R0.1 COC[C@H](C)O M61064 [1,0,1,0,0,0|1,0,1]=4 330 B5R0.1 C[C@@H](N)CCO A10772 [1,0,1,0,0,0|1,0,1]=4 331 B5R0.1 C[C@H](N)CCO A10771 [1,0,1,0,0,0|1,0,1]=4 332 B5R0.1 C[C@H](N)CCO A39964 [1,0,1,0,0,0|1,0,1]=4 333 B5R0.1 C[C@H](O)CCO B68917 [1,0,1,0,0,0|0,0,1]=3 334 B5R0.1 NCCC(N)=O A67869 [1,0,1,0,0,0|2,0,0]=4 335 B5R0.1 NCC[P@H](=O)O A39788 [1,0,1,0,0,0|2,0,0]=4 336 B5R0.1 NOCC(=O)O C40302 [1,0,1,0,0,0|2,0,0]=4 337 B5R0.2 C#CCCCO P68382 [1,0,1,0,0,0|1,0,1]=4 338 B5R0.2 C=CCCCBr B41237 [1,0,1,0,0,0|2,0,0]=4 339 B5R0.2 C=CCCCCl C41238 [1,0,1,0,0,0|2,0,0]=4 340 B5R0.2 C=CCCCO P36921 [1,0,1,0,0,0|1,0,0]=3 341 B5R0.2 CCCCON B40310 [1,0,1,0,0,0|2,0,0]=4 342 B5R0.2 CCO\C=C/Br B2725 [1,0,1,0,0,0|1,0,1]=4 343 B5R0.2 CNCCCO M36844 [1,0,1,0,0,0|1,0,1]=4 344 B5R0.2 COCCCO M69411 [1,0,1,0,0,0|1,0,1]=4 345 B5R0.2 OCCCCBr B67330 [1,0,1,0,0,0|1,0,1]=4 346 B5R0.3 C#CC(=O)OC M40108 [1,0,1,0,0,0|0,0,2]=4 347 B5R0.3 CCC(=O)CN A32390 [1,0,1,0,0,0|1,0,0]=3 348 B5R0.3 CCC(=O)CO H36713 [1,0,1,0,0,0|1,0,0]=3 349 B5R0.3 CCC(N)CC P40440 [1,0,1,0,0,0|1,0,1]=4 350 B5R0.3 CNC(=O)CBr B60913 [1,0,1,0,0,0|2,0,0]=4 351 B5R0.3 CNC(=O)CCl C67921 [1,0,1,0,0,0|2,0,0]=4 352 B5R0.3 COC(=O)CN M69126 [1,0,1,0,0,0|1,0,0]=3 353 B5R0.3 COC(=O)CO M67586 [1,0,1,0,0,0|1,0,0]=3 354 B5R0.3 CO[C@@H](C)CN M40313 [1,0,1,0,0,0|1,0,1]=4 355 B5R0.3 CO[C@@H](C)CO M68380 [1,0,1,0,0,0|1,0,1]=4 356 B5R0.3 CO[C@H](C)CN M40312 [1,0,1,0,0,0|1,0,1]=4 357 B5R0.3 CO[C@H](C)CO M68381 [1,0,1,0,0,0|1,0,1]=4 358 B5R0.3 O=C(CCl)CCl D4849 [1,0,1,0,0,0|2,0,0]=4 359 B5R0.3 O=C[C@H](O)CO D39873 [1,0,1,0,0,0|2,0,0]=4 360 B5R1.1 C1=CCNC1 D40328 [2,0,0,0,0,0|2,0,0]=4 361 B5R1.1 C1CNNC1 P39938 [2,0,0,0,0,0|2,0,0]=4 362 B7R0.2 CC(C)NC(=O)CCl P40378 [0,1,1,0,0,0|2,0,0]=4 363 B7R0.2 CC(C)OC(=O)CO I38145 [0,1,1,0,0,0|1,0,0]=3 364 B7R0.2 CCC(=O)CC(C)=O H69646 [0,1,1,0,0,0|1,0,1]=4 365 B7R0.2 CCC(=O)OC(C)=O A41227 [0,1,1,0,0,0|0,0,1]=3 366 B7R0.2 CC[C@H](C)CC(=O)O M41552 [0,1,1,0,0,0|1,0,0]=3 367 B7R0.2 CC[C@H](N)CC(=O)O A69512 [0,1,1,0,0,0|2,0,0]=4 368 B7R0.2 COC(=O)C[C@@H](C)N M41333 [0,1,1,0,0,0|2,0,0]=4 369 B7R0.2 COC(=O)C[C@@H](C)O M68364 [0,1,1,0,0,0|2,0,0]=4 370 B7R0.2 COC(=O)C[C@H](C)O M37970 [0,1,1,0,0,0|2,0,0]=4 371 B7R0.3 C=CCOC(=O)CI P7846 [0,1,1,0,0,0|1,0,1]=4 372 B7R0.3 CCCOC(=O)OC M40388 [0,1,1,0,0,0|1,0,0]=3 373 B7R0.3 CNCCC(=O)OC M40412 [0,1,1,0,0,0|2,0,0]=4 374 B7R0.3 COC(=O)CCCBr M39189 [0,1,1,0,0,0|2,0,0]=4 375 B7R0.3 COC(=O)CCCCl M60517 [0,1,1,0,0,0|2,0,0]=4 376 B7R0.3 COC(=O)CCCN M32376 [0,1,1,0,0,0|2,0,0]=4 377 B7R0.5 CC(C)C(=O)OCCl C24559 [0,1,1,0,0,0|1,0,0]=3 378 B7R0.5 CCOC(=O)C(=O)O E36772 [0,1,1,0,0,0|1,0,1]=4 379 B7R0.5 CCOC(=O)C(C)=O E60800 [0,1,1,0,0,0|0,0,1]=3 380 B7R0.5 CCOC(=O)C(N)=O E60589 [0,1,1,0,0,0|1,0,1]=4 381 B7R0.5 CCOC(=O)C(N)=S E15645 [0,1,1,0,0,0|1,0,1]=4 382 B7R0.5 CCOC(=O)[C@@H](C)N A39194 [0,1,1,0,0,0|0,0,0]=2 383 B7R0.5 CCOC(=O)[C@@H](C)O E68607 [0,1,1,0,0,0|0,0,0]=2 384 B7R0.5 CCOC(=O)[C@H](C)F E41270 [0,1,1,0,0,0|0,0,0]=2 385 B7R0.5 CCOC(=O)[C@H](C)S E40385 [0,1,1,0,0,0|0,0,0]=2 386 B7R0.7 CC#CC(=O)OCC E36835 [0,1,1,0,0,0|0,0,1]=3 387 B7R0.7 CCNC(=O)NCC D40424 [0,1,1,0,0,0|1,0,0]=3 388 B7R0.7 CCOC(=O)CCBr E39188 [0,1,1,0,0,0|0,0,0]=2 389 B7R0.7 CCOC(=O)CCI E41273 [0,1,1,0,0,0|0,0,0]=2 390 B7R0.7 CCOC(=O)CCO E36682 [0,1,1,0,0,0|0,0,0]=2 391 B7R0.7 CCOC(=O)CNC S69399 [0,1,1,0,0,0|0,0,0]=2 392 B7R0.7 CCOC(=O)CNN E67459 [0,1,1,0,0,0|1,0,0]=3 393 B7R0.7 CCOC(=O)CSC E40386 [0,1,1,0,0,0|0,0,0]=2 394 B7R0.7 CCOC(=O)OCCl C38646 [0,1,1,0,0,0|1,0,0]=3 395 B7R0.7 CCOC(=O)[CH-]C=O E29890 [0,1,1,0,0,0|0,0,2]=4 396 B7R0.7 CCOC(=O)\C=C\I E41181 [0,1,1,0,0,0|0,0,2]=4 397 B7R0.7 COCC(=O)COC D40391 [0,1,1,0,0,0|2,0,0]=4 398 B7R0.7 O=C(CCCl)CCCl D67616 [0,1,1,0,0,0|2,0,0]=4 399 B7R0.10 CCC(=O)C(=O)CC H41459 [0,1,1,0,0,0|1,0,0]=3 400 B7R0.10 CCC(=O)N(C)OC M40411 [0,1,1,0,0,0|2,0,0]=4 401 B7R0.10 CC[C@@H](N)C(=O)OC M61982 [0,1,1,0,0,0|2,0,0]=4 402 B7R0.10 CC[C@H](Br)C(=O)OC M68973 [0,1,1,0,0,0|2,0,0]=4 403 B7R0.10 CC[C@H](N)C(=O)OC M40408 [0,1,1,0,0,0|2,0,0]=4 404 B7R0.10 CC[C@H](N)C(=O)OC M41330 [0,1,1,0,0,0|2,0,0]=4 405 B7R0.10 CC[C@H](N)C(=O)OC M41334 [0,1,1,0,0,0|2,0,0]=4 406 B7R0.9 CC(=O)O[Si](C)(C)C T40435 [0,1,1,0,0,0|0,1,0]=3 407 B7R0.9 CC(C)(C)OC(N)=O C10352 [0,1,1,0,0,0|1,0,0]=3 408 B7R0.9 CC(C)(N)CC(=O)O A40410 [0,1,1,0,0,0|2,0,0]=4 409 B7R0.9 CC(C)(O)CC(=O)[O-] C39647 [0,1,1,0,0,0|2,0,0]=4 410 B7R0.9 CC(C)OS(C)(=O)=O P69616 [0,1,1,0,0,0|1,0,0]=3 411 B7R0.16 CC(C)C(=O)C(=O)[O-] S41304 [0,1,1,0,0,0|2,0,0]=4 412 B7R0.16 CC(C)[C@@H](N)C(=O)O A60652 [0,1,1,0,0,0|2,0,0]=4 413 B7R0.16 CC(C)[C@@H](O)C(=O)O H64151 [0,1,1,0,0,0|2,0,0]=4 414 B7R0.16 CC(C)[C@H](O)C(=O)O H40392 [0,1,1,0,0,0|2,0,0]=4 415 B7R0.4 C#CCCCC(=O)O H43301 [0,1,1,0,0,0|0,0,1]=3 416 B7R0.4 CC(=O)CCCCBr B41532 [0,1,1,0,0,0|1,0,0]=3 417 B7R0.4 CC(=O)OCCCBr B41266 [0,1,1,0,0,0|2,0,0]=4 418 B7R0.4 CC(=O)OCCCCl C39190 [0,1,1,0,0,0|2,0,0]=4 419 B7R0.4 CCCCCB(O)O P38628 [0,1,1,0,0,0|1,0,1]=4 420 B7R0.4 CCCCC[C@H](C)O H43947 [0,1,1,0,0,0|1,0,1]=4 421 B7R0.4 CCCCOC(N)=O B39165 [0,1,1,0,0,0|1,0,0]=3 422 B7R0.4 CCCOCC(=O)O P40387 [0,1,1,0,0,0|0,0,0]=2 423 B7R0.4 CCC\C=C\C(=O)O H41460 [0,1,1,0,0,0|0,0,1]=3 424 B7R0.4 CCOC=CC(=O)O E41226 [0,1,1,0,0,0|0,0,2]=4 425 B7R0.4 CNCCCC(=O)O M63276 [0,1,1,0,0,0|0,0,0]=2 426 B7R0.4 COCCCC(=O)O M67387 [0,1,1,0,0,0|0,0,0]=2 427 B7R0.4 COCCNC(N)=O M36648 [0,1,1,0,0,0|2,0,0]=4 428 B7R0.4 COC\C=C\C(=O)O M63576 [0,1,1,0,0,0|0,0,2]=4 429 B7R0.4 C[C@H](O)CNCCO H40448 [0,1,1,0,0,0|0,0,2]=4 430 B7R0.4 N#CCCCC(=O)O C41166 [0,1,1,0,0,0|0,0,1]=3 431 B7R0.4 NC(=O)COCCCl C40247 [0,1,1,0,0,0|2,0,0]=4 432 B7R0.4 O=C(O)CCCCBr B39187 [0,1,1,0,0,0|0,0,0]=2 433 B7R0.4 O=C(O)CCCCCl C39191 [0,1,1,0,0,0|0,0,0]=2 434 B7R0.4 O=C(O)CCCCO H37199 [0,1,1,0,0,0|0,0,0]=2 435 B7R0.4 O=C(O)CNCCO H40270 [0,1,1,0,0,0|1,0,0]=3 436 B7R0.4 O=C(O)COCCCl C40236 [0,1,1,0,0,0|1,0,0]=3 437 B7R0.4 O=C([O-])CCCCO S41306 [0,1,1,0,0,0|0,0,1]=3 438 B7R0.4 [N-]=[N+]=NCCC(=O)O A1939 [0,1,1,0,0,0|2,0,0]=4 439 B7R0.6 CC(=O)CCC(C)=O H64912 [0,1,1,0,0,0|0,0,2]=4 440 B7R0.6 CN(C)CCC(=O)O D41335 [0,1,1,0,0,0|1,0,0]=3 441 B7R0.6 C[C@H](O)CC[C@H](C)O H68605 [0,1,1,0,0,0|0,0,2]=4 442 B7R0.6 NC(=O)CCC(=O)O A63078 [0,1,1,0,0,0|1,0,1]=4 443 B7R0.6 O=C(O)CCC(F)F D59737 [0,1,1,0,0,0|1,0,0]=3 444 B7R1.1 BrCC1=CCCC1 B7551 [1,1,0,0,0,0|2,0,0]=4 445 B7R1.1 BrCC1CCCC1 B23399 [1,1,0,0,0,0|1,0,1]=4 446 B7R1.1 BrC[C@H]1CCCO1 B17294 [1,1,0,0,0,0|0,0,1]=3 447 B7R1.1 BrC[C@H]1CCOC1 T0399 [1,1,0,0,0,0|2,0,0]=4 448 B7R1.1 CC[C@@H]1CCNC1 E22541 [1,1,0,0,0,0|2,0,0]=4 449 B7R1.1 CC[C@H]1CCNC1 E22542 [1,1,0,0,0,0|2,0,0]=4 450 B7R1.1 CN[C@@H]1CCOC1 M15031 [1,1,0,0,0,0|2,0,0]=4 451 B7R1.1 CN[C@H]1CCOC1 M1156 [1,1,0,0,0,0|2,0,0]=4 452 B7R1.1 COC1=NCCC1 M69559 [1,1,0,0,0,0|1,0,1]=4 453 B7R1.1 CO[C@@H]1CCNC1 M0200 [1,1,0,0,0,0|2,0,0]=4 454 B7R1.1 CO[C@@H]1CCNC1 M12251 [1,1,0,0,0,0|2,0,0]=4 455 B7R1.1 CO[C@H]1CCNC1 M1159 [1,1,0,0,0,0|2,0,0]=4 456 B7R1.1 CO[C@H]1CCNC1 M7459 [1,1,0,0,0,0|2,0,0]=4 457 B7R1.1 FC[C@@H]1CCCN1 F1127 [1,1,0,0,0,0|1,0,1]=4 458 B7R1.1 FC[C@@H]1CCNC1 F60420 [1,1,0,0,0,0|2,0,0]=4 459 B7R1.1 FC[C@H]1CCCN1 F12954 [1,1,0,0,0,0|1,0,1]=4 460 B7R1.1 IC[C@H]1CCOC1 I12451 [1,1,0,0,0,0|2,0,0]=4 461 B7R1.1 NCC1CCCC1 C5395 [1,1,0,0,0,0|1,0,1]=4 462 B7R1.1 NC[C@@H]1CCCN1 A7822 [1,1,0,0,0,0|1,0,1]=4 463 B7R1.1 NC[C@@H]1CCCO1 T25038 [1,1,0,0,0,0|0,0,1]=3 464 B7R1.1 NC[C@@H]1CCOC1 T10325 [1,1,0,0,0,0|2,0,0]=4 465 B7R1.1 NC[C@@H]1CCOC1 T1675 [1,1,0,0,0,0|2,0,0]=4 466 B7R1.1 NC[C@H]1CCCN1 A60830 [1,1,0,0,0,0|1,0,1]=4 467 B7R1.1 NC[C@H]1CCOC1 T10324 [1,1,0,0,0,0|2,0,0]=4 468 B7R1.1 NC[C@H]1CCOC1 T1153 [1,1,0,0,0,0|2,0,0]=4 469 B7R1.1 NC[C@H]1CCOC1 T1674 [1,1,0,0,0,0|2,0,0]=4 470 B7R1.1 NC[C@H]1CCOC1 T7262 [1,1,0,0,0,0|2,0,0]=4 471 B7R1.1 O=CC1=CCCC1 C69466 [1,1,0,0,0,0|1,0,0]=3 472 B7R1.1 O=CC1CCCC1 C25963 [1,1,0,0,0,0|1,0,1]=4 473 B7R1.1 OCC1CC=CC1 C11867 [1,1,0,0,0,0|1,0,1]=4 474 B7R1.1 OCC1CCCC1 C23297 [1,1,0,0,0,0|1,0,1]=4 475 B7R1.1 OCC1OCCO1 D40256 [1,1,0,0,0,0|1,0,1]=4 476 B7R1.1 OC[C@@H]1CCCN1 P1125 [1,1,0,0,0,0|1,0,1]=4 477 B7R1.1 OC[C@@H]1CCCN1 P1542 [1,1,0,0,0,0|1,0,1]=4 478 B7R1.1 OC[C@@H]1CCCO1 T40383 [1,1,0,0,0,0|0,0,1]=3 479 B7R1.1 OC[C@@H]1CCNC1 H11286 [1,1,0,0,0,0|2,0,0]=4 480 B7R1.1 OC[C@@H]1CCNC1 P1348 [1,1,0,0,0,0|2,0,0]=4 481 B7R1.1 OC[C@@H]1CCOC1 T0397 [1,1,0,0,0,0|2,0,0]=4 482 B7R1.1 OC[C@H]1CCCN1 P14128 [1,1,0,0,0,0|1,0,1]=4 483 B7R1.1 OC[C@H]1CCCN1 P67898 [1,1,0,0,0,0|1,0,1]=4 484 B7R1.1 OC[C@H]1CCCO1 T67581 [1,1,0,0,0,0|0,0,1]=3 485 B7R1.1 OC[C@H]1CCCO1 T68627 [1,1,0,0,0,0|0,0,1]=3 486 B7R1.1 OC[C@H]1CCNC1 H1594 [1,1,0,0,0,0|2,0,0]=4 487 B7R1.1 OC[C@H]1CCNC1 H7915 [1,1,0,0,0,0|2,0,0]=4 488 B7R1.1 OC[C@H]1CCNC1 P1155 [1,1,0,0,0,0|2,0,0]=4 489 B7R1.1 OC[C@H]1CCNC1 P41328 [1,1,0,0,0,0|2,0,0]=4 490 B7R1.1 OC[C@H]1CCNC1 P6954 [1,1,0,0,0,0|2,0,0]=4 491 B7R1.1 OC[C@H]1CCOC1 T0396 [1,1,0,0,0,0|2,0,0]=4 492 B7R1.1 OC[C@H]1CCOC1 T0398 [1,1,0,0,0,0|2,0,0]=4 493 B7R1.4 BrC1=C(Br)CCC1 D68539 [1,1,0,0,0,0|2,0,0]=4 494 B7R1.4 CN1CCCC1=S M6872 [1,1,0,0,0,0|1,1,0]=4 495 B7R1.4 CN1CCNC1=O M40241 [1,1,0,0,0,0|2,0,0]=4 496 B7R1.4 C[C@@H]1CNC[C@@H]1O M22730 [1,1,0,0,0,0|2,0,0]=4 497 B7R1.4 C[C@@H]1COC[C@H]1N F30099 [1,1,0,0,0,0|2,0,0]=4 498 B7R1.4 C[C@@H]1OCCC1=O M41223 [1,1,0,0,0,0|0,0,2]=4 499 B7R1.4 C[C@H]1CCCC1=O M41458 [1,1,0,0,0,0|1,0,0]=3 500 B7R1.4 C[C@H]1CCNC1=O M41257 [1,1,0,0,0,0|1,0,0]=3 501 B7R1.4 C[C@H]1CCOC1=O M41224 [1,1,0,0,0,0|0,0,0]=2 502 B7R1.4 NN1CCCC1=O A22230 [1,1,0,0,0,0|1,0,0]=3 503 B7R1.4 N[C@@H]1CCNC1=O A40242 [1,1,0,0,0,0|1,0,0]=3 504 B7R1.4 N[C@@H]1CCNC1=O A62971 [1,1,0,0,0,0|1,0,0]=3 505 B7R1.4 N[C@@H]1CCOC1=O H68344 [1,1,0,0,0,0|0,0,0]=2 506 B7R1.4 N[C@H]1CCNC1=O A24294 [1,1,0,0,0,0|1,0,0]=3 507 B7R1.4 N[C@H]1CCOC1=O A40300 [1,1,0,0,0,0|0,0,0]=2 508 B7R1.4 N[C@H]1CCOC1=O A40335 [1,1,0,0,0,0|0,0,0]=2 509 B7R1.4 O=C1CCC=C1Br B3409 [1,1,0,0,0,0|1,0,1]=4 510 B7R1.4 O=C1CCC=C1O H41119 [1,1,0,0,0,0|1,0,1]=4 511 B7R1.4 O=C1NCC[C@@H]1O H20173 [1,1,0,0,0,0|1,0,0]=3 512 B7R1.4 O=C1NCC[C@@H]1O H37914 [1,1,0,0,0,0|1,0,0]=3 513 B7R1.4 O=C1NCC[C@H]1O H40227 [1,1,0,0,0,0|1,0,0]=3 514 B7R1.4 O=C1OCC[C@@H]1Br B31114 [1,1,0,0,0,0|0,0,0]=2 515 B7R1.14 CC1(C)CCCN1 D24602 [1,1,0,0,0,0|1,0,1]=4 516 B7R1.14 CC1(C)CCNC1 D1149 [1,1,0,0,0,0|2,0,0]=4 517 B7R1.14 CC1(O)CCCC1 M41551 [1,1,0,0,0,0|1,0,1]=4 518 B7R1.14 C[C@@]1(O)CCNC1 M23456 [1,1,0,0,0,0|2,0,0]=4 519 B7R1.14 C[C@]1(F)CCNC1 F29656 [1,1,0,0,0,0|2,0,0]=4 520 B7R1.14 C[C@]1(N)CCOC1 A11772 [1,1,0,0,0,0|2,0,0]=4 521 B7R1.14 C[C@]1(O)CCNC1 H0280 [1,1,0,0,0,0|2,0,0]=4 522 B7R1.14 C[C@]1(O)CCNC1 M10113 [1,1,0,0,0,0|2,0,0]=4 523 B7R1.14 C[C@]1(O)CCNC1 M18574 [1,1,0,0,0,0|2,0,0]=4 524 B7R1.14 C[C@]1(O)CCNC1 M59983 [1,1,0,0,0,0|2,0,0]=4 525 B7R1.14 O=S1(=O)CCCN1 P12719 [1,1,0,0,0,0|2,0,0]=4 526 B7R1.14 O=S1(=O)CCCO1 X68360 [1,1,0,0,0,0|1,0,0]=3 527 B7R1.14 O=S1(=O)NCCO1 D11396 [1,1,0,0,0,0|2,0,0]=4 528 B7R1.14 O=S1(=O)OCCO1 D39773 [1,1,0,0,0,0|2,0,0]=4 529 B7R1.8 CN1CC[C@@H]1CN A14392 [0,1,0,0,1,0|2,0,0]=4 530 B7R1.8 CN1CC[C@@H]1CN A14394 [0,1,0,0,1,0|2,0,0]=4 531 B7R1.8 CN1CC[C@H]1CN A14393 [0,1,0,0,1,0|2,0,0]=4 532 B7R1.8 CO[C@@H]1CC[C@H]1N M59743 [0,1,0,0,1,0|1,0,1]=4 533 B7R1.8 NCC1CCC1F F59751 [0,1,0,0,1,0|1,0,1]=4 534 B7R1.8 O=C1CC[C@@H]1CO H13228 [0,1,0,0,1,0|0,0,0]=2 535 B7R1.8 OCC1CCC1F F60214 [0,1,0,0,1,0|1,0,1]=4 536 B7R1.17 CC1(C)CCC1=O D60316 [0,1,0,0,1,0|0,0,0]=2 537 B7R1.17 CC1(C)CC[C@@H]1O D60329 [0,1,0,0,1,0|0,0,2]=4 538 B7R1.10 N#CC1CC(=O)C1 X10543 [0,1,0,0,1,0|1,0,1]=4 539 B7R1.10 NCC1CC(=O)C1 SB7355 [0,1,0,0,1,0|1,0,0]=3 540 B7R1.10 O=C1CC(CBr)C1 B11904 [0,1,0,0,1,0|1,0,0]=3 541 B7R1.10 O=C1CC(CO)C1 H0725 [0,1,0,0,1,0|1,0,0]=3 542 B7R1.16 O=C1CC(F)(F)C1 D11667 [0,1,0,0,1,0|2,0,0]=4 543 B9R1.1 CCC1CCC(=O)CC1 E39441 [0,1,0,0,0,1|1,0,0]=3 544 B9R1.1 N#CC1CCC(=O)CC1 X46386 [0,1,0,0,0,1|1,0,1]=4 545 B9R1.1 NC[C@H]1CCC(=O)NC1 A10714 [0,1,0,0,0,1|1,0,0]=3 546 B9R1.1 O=C1CC[C@H](CO)CN1 H38263 [0,1,0,0,0,1|1,0,0]=3 547 B9R1.1 O=C1CO[C@@H](CO)CN1 H26506 [0,1,0,0,0,1|1,0,0]=3 548 B9R1.1 O=C1CO[C@@H](CO)CN1 H41263 [0,1,0,0,0,1|1,0,0]=3 549 B9R1.1 O=C1CO[C@H](CO)CN1 H25634 [0,1,0,0,0,1|1,0,0]=3 550 B9R1.1 O=CC1CCC(=O)CC1 X43715 [0,1,0,0,0,1|1,0,1]=4 551 B9R1.10 CC1(C)C=CC(=O)CC1 D47014 [0,1,0,0,0,1|1,0,0]=3 552 B9R1.10 CC1(C)CCC(=O)CC1 D23641 [0,1,0,0,0,1|1,0,0]=3 553 B9R1.10 CC1(C)CNC(=O)CN1 D25392 [0,1,0,0,0,1|2,0,0]=4 554 B9R1.10 CC1(C)OCC(=O)CO1 D25156 [0,1,0,0,0,1|1,0,0]=3 555 B9R1.10 O=C1CCC(F)(F)CC1 D5709 [0,1,0,0,0,1|2,0,0]=4 556 B9R1.10 O=C1CCC(F)(F)CN1 D15393 [0,1,0,0,0,1|2,0,0]=4 557 B9R1.69 CN1C[C@@H](N)CCC1=O A0588 [0,1,0,0,0,1|2,0,0]=4 558 B9R1.69 CN1C[C@@H](N)CCC1=O A12740 [0,1,0,0,0,1|2,0,0]=4 559 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D13688 [0,1,0,0,0,1|2,0,0]=4 560 B9R1.69 C[C@@H]1CN(C)C(=O)CN1 D43469 [0,1,0,0,0,1|2,0,0]=4 561 B9R1.69 C[C@H]1CCC(=O)NC1=O M43382 [0,1,0,0,0,1|1,0,0]=3 562 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D13682 [0,1,0,0,0,1|2,0,0]=4 563 B9R1.69 C[C@H]1CN(C)C(=O)CN1 D30098 [0,1,0,0,0,1|2,0,0]=4 564 B9R1.69 C[C@H]1CN(C)CCC1=O D23777 [0,1,0,0,0,1|2,0,0]=4 565 B9R1.69 N[C@H]1CCC(=O)NC1=O A29783 [0,1,0,0,0,1|2,0,0]=4 566 B9R1.69 N[C@H]1CCC(=O)NC1=O A41311 [0,1,0,0,0,1|2,0,0]=4 567 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 B41113 [0,1,0,0,0,1|2,0,0]=4 568 B9R1.2 CCN1CCNC(=O)C1 E43465 [0,1,0,0,0,1|2,0,0]=4 569 B9R1.2 N#C[C@H]1CCCC(=O)C1 X46385 [0,1,0,0,0,1|1,0,1]=4 570 B9R1.2 NC[C@H]1CCCC(=O)N1 A37687 [0,1,0,0,0,1|1,0,0]=3 571 B9R1.2 NC[C@H]1CCNC(=O)C1 A7242 [0,1,0,0,0,1|1,0,0]=3 572 B9R1.2 O=C1COC[C@H](CO)N1 H37541 [0,1,0,0,0,1|1,0,0]=3 573 B9R1.2 O=C1C[C@@H](CO)CCN1 X0577 [0,1,0,0,0,1|1,0,0]=3 574 B9R1.34 CC1CC(=O)CC(=O)C1 M43717 [0,1,0,0,0,1|1,0,0]=3 575 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 D19918 [0,1,0,0,0,1|1,0,0]=3 576 B9R1.34 O=C1CC(=O)OC(=O)C1 P40864 [0,1,0,0,0,1|1,0,1]=4 577 B9R1.66 CC1(C)CC(=O)CCN1 D46484 [0,1,0,0,0,1|1,0,0]=3 578 B9R1.66 CC1(C)CC(=O)CCO1 D17314 [0,1,0,0,0,1|1,0,0]=3 579 B9R1.66 CC1(C)CCCC(=O)C1 D22905 [0,1,0,0,0,1|1,0,0]=3 580 B9R1.7 CCC[C@H]1COC(=O)C1 P43806 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.7 O=S1OCC(CCCl)O1 C65668 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.21 COC1CCC(OC)O1 D41557 [0,2,0,0,0,0|0,0,2]=4 583 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 H29811 [0,2,0,0,0,0|0,0,0]=2 584 B9R1.22 OC[C@@H]1OC(O)C[C@H]1O H40397 [0,2,0,0,0,0|0,0,2]=4 585 B9R1.23 CN1C[C@@H](CN)CC1=O A10326 [0,2,0,0,0,0|2,0,0]=4 586 B9R1.35 CC(=O)N1CCC(=O)C1 A38370 [0,2,0,0,0,0|2,0,0]=4 587 B9R1.35 CC(C)[C@@H]1COC(=O)N1 P26884 [0,2,0,0,0,0|2,0,0]=4 588 B9R1.35 CC(C)[C@H]1COC(=O)N1 P41504 [0,2,0,0,0,0|2,0,0]=4 589 B9R1.35 C[C@@H]1CC[C@@H](C(=O)O)N1 M60259 [0,2,0,0,0,0|1,0,1]=4 590 B9R1.35 C[C@H]1CC[C@H](C(=O)O)N1 M60278 [0,2,0,0,0,0|1,0,1]=4 591 B9R1.35 O=C1CC[C@@H](C(=O)O)C1 X15326 [0,2,0,0,0,0|1,0,1]=4 592 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X22343 [0,2,0,0,0,0|0,0,1]=3 593 B9R1.35 O=C1CC[C@@H](C(=O)O)O1 X38776 [0,2,0,0,0,0|0,0,1]=3 594 B9R1.35 O=C1CC[C@@H](C(=O)O)S1 X10747 [0,2,0,0,0,0|0,1,1]=4 595 B9R1.35 O=C1CC[C@H](C(=O)O)C1 O7893 [0,2,0,0,0,0|1,0,1]=4 596 B9R1.35 O=C1CC[C@H](C(=O)O)C1 X15325 [0,2,0,0,0,0|1,0,1]=4 597 B9R1.35 O=C1CC[C@H](C(=O)O)O1 X37943 [0,2,0,0,0,0|0,0,1]=3 598 B9R1.35 O=C1N[C@H](C(F)F)CO1 D59979 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.132 COC1=C(Br)C(=O)CC1 B61380 [0,2,0,0,0,0|1,0,1]=4 600 B9R1.133 NC[C@H]1CCS(=O)(=O)C1 D13934 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.37 CC1CC(=O)C(=O)C1C D43719 [0,2,0,0,0,0|1,0,0]=3 602 B9R1.38 CC1(C)CC(=O)OC1=O D67953 [0,2,0,0,0,0|1,0,1]=4 603 B9R1.38 CC1(C)OC(=O)NC1=O D60733 [0,2,0,0,0,0|1,0,1]=4 604 B9R1.138 CC1(C)COC(=O)[C@H]1O H41475 [0,2,0,0,0,0|2,0,0]=4 605 B7R1.3 O=C1CCCCN1 P69632 [0,0,1,1,0,0|1,0,0]=3 606 B7R1.3 O=C1CCCNC1 P1523 [0,0,1,1,0,0|2,0,0]=4 607 B7R1.3 O=C1CCCNC1 P31811 [0,0,1,1,0,0|2,0,0]=4 608 B7R1.3 O=C1CCCOC1 T7026 [0,0,1,1,0,0|2,0,0]=4 609 B7R1.3 O=C1CCCSC1 T1776 [0,0,1,1,0,0|2,0,0]=4 610 B7R1.3 O=C1CCNCC1 P23503 [0,0,1,1,0,0|2,0,0]=4 611 B7R1.3 O=C1CCOCC1 T4632 [0,0,1,1,0,0|2,0,0]=4 612 B7R1.3 O=C1CCSCC1 T6200 [0,0,1,1,0,0|2,0,0]=4 613 B7R1.3 O=C1CNCCN1 P10419 [0,0,1,1,0,0|2,0,0]=4 614 B7R1.3 O=C1COCCN1 M7700 [0,0,1,1,0,0|2,0,0]=4 615 B7R1.3 O=C1COCCO1 D38663 [0,0,1,1,0,0|1,0,0]=3 616 B7R1.3 O=C1CSCCN1 T40230 [0,0,1,1,0,0|2,0,0]=4 617 B7R1.22 CCC(=O)C1CC1 C24823 [0,0,1,1,0,0|1,0,0]=3 618 B7R1.27 CC[C@]1(C)ON1C E65451 [0,0,1,1,0,0|2,0,0]=4 619 B7R1.12 C[C@@H]1C[C@@H]1C(=O)O M59914 [0,0,1,1,0,0|2,0,0]=4 620 B7R1.12 C[C@@H]1C[C@H]1C(=O)O M24588 [0,0,1,1,0,0|2,0,0]=4 621 B7R1.12 C[C@H]1C[C@H]1C(=O)O M24546 [0,0,1,1,0,0|2,0,0]=4 622 B7R1.12 C[C@H]1C[C@H]1C(=O)O M59857 [0,0,1,1,0,0|2,0,0]=4 623 B7R1.20 O=C(O)CC1CC1 C11216 [0,0,1,1,0,0|2,0,0]=4 624 B7R1.18 CC(=O)C1CCC1 C22926 [0,0,1,1,0,0|1,0,0]=3 625 B7R1.18 CC(=O)C1CNC1 A18542 [0,0,1,1,0,0|2,0,0]=4 626 B7R1.18 N=C(N)C1CCC1 C11379 [0,0,1,1,0,0|2,0,0]=4 627 B7R1.18 NC(=O)C1CCC1 C36760 [0,0,1,1,0,0|1,0,0]=3 628 B7R1.18 NC(=O)C1CNC1 A0189 [0,0,1,1,0,0|2,0,0]=4 629 B7R1.18 NC(=O)C1CNC1 A10232 [0,0,1,1,0,0|2,0,0]=4 630 B7R1.18 O=C(O)C1CCC1 C39184 [0,0,1,1,0,0|0,0,0]=2 631 B7R1.18 O=C(O)C1CNC1 A0022 [0,0,1,1,0,0|1,0,0]=3 632 B7R1.18 O=C(O)C1CNC1 A62344 [0,0,1,1,0,0|1,0,0]=3 633 B7R1.18 O=C(O)[C@@H]1CCN1 A0692 [0,0,1,1,0,0|1,0,0]=3 634 B7R1.18 O=C(O)[C@@H]1CCN1 A0705 [0,0,1,1,0,0|1,0,0]=3 635 B7R1.18 O=C(O)[C@@H]1CCO1 X60210 [0,0,1,1,0,0|1,0,0]=3 636 B7R1.18 O=C(O)[C@@H]1CCO1 X6939 [0,0,1,1,0,0|1,0,0]=3 637 B7R1.18 O=C(O)[C@H]1CCN1 A0706 [0,0,1,1,0,0|1,0,0]=3 638 B7R1.18 O=C(O)[C@H]1CCN1 A40336 [0,0,1,1,0,0|1,0,0]=3 639 B7R1.18 O=C(O)[C@H]1CCO1 X60294 [0,0,1,1,0,0|1,0,0]=3 640 B7R1.18 OB(O)C1CCC1 C38656 [0,0,1,1,0,0|1,0,1]=4 641 B7R2.11 C1NC2CC1C2 A10797 [1,0,0,1,0,0|1,0,1]=4 642 B7R2.11 C1NC2CC1C2 A6593 [1,0,0,1,0,0|1,0,1]=4 643 B7R2.13 C1CC2CC2N1 A13958 [1,0,0,1,0,0|1,0,1]=4 644 B7R2.13 C1CC2CC2N1 A25593 [1,0,0,1,0,0|1,0,1]=4 645 B7R2.13 C1NCC2CC12 A13737 [1,0,0,1,0,0|2,0,0]=4 646 B7R2.13 C1NCC2CC12 A1579 [1,0,0,1,0,0|2,0,0]=4 647 B9R2.19 O=C1NCC2CC1N2 X13999 [0,0,0,1,0,1|2,0,0]=4 648 B9R2.21 O=C1CC2CC2CN1 A59683 [0,0,0,1,0,1|1,0,0]=3 649 B9R2.49 C1CC2CNC1CO2 X11762 [0,0,0,1,0,1|1,0,1]=4 650 B9R2.8 O=C1CC2CC(C1)C2 B60206 [0,0,0,1,0,1|1,0,0]=3 651 B9R2.25 O=C1OC(=O)C2CC12 X24282 [0,0,0,1,0,1|1,0,1]=4 652 B9R2.39 O=C1NC2C=CC1C2 A0848 [0,0,0,1,0,1|1,0,1]=4 653 B9R2.39 O=C1NC2CCC1C2 A64651 [0,0,0,1,0,1|1,0,0]=3 654 B9R2.39 O=C1N[C@@H]2C=C[C@H]1C2 A29605 [0,0,0,1,0,1|1,0,1]=4 655 B9R2.39 O=C1N[C@H]2C=C[C@@H]1C2 A25418 [0,0,0,1,0,1|1,0,1]=4 656 B9R2.39 O=C1OC2CCC1C2 X31814 [0,0,0,1,0,1|0,0,0]=2 657 B9R2.39 O=C1O[C@@H]2CN[C@H]1C2 X43582 [0,0,0,1,0,1|0,0,0]=2 658 B9R2.68 C1CC2CNCC1O2 X14974 [0,0,0,1,0,1|1,0,1]=4 659 B9R2.68 C1CC2CNCC1O2 X6234 [0,0,0,1,0,1|1,0,1]=4 660 B9R2.109 O=C1CCCC2CC12 B13672 [0,0,0,1,0,1|1,0,0]=3 661 B9R2.109 O=C1CCCC2OC12 X43306 [0,0,0,1,0,1|2,0,0]=4 662 B9R2.139 O=C1CC2(CC2)CO1 X23130 [0,1,0,1,0,0|2,0,0]=4 663 B5R0.5 CC(C)C(=N)N B40303 [0,0,1,0,1,0|2,0,0]=4 664 B5R0.5 CC(C)C(N)=O I4848 [0,0,1,0,1,0|1,0,0]=3 665 B5R0.5 CC(C)C(N)=S M3101 [0,0,1,0,1,0|1,1,0]=4 666 B5R0.5 CC(C)[S@](=O)[O-] S66891 [0,0,1,0,1,0|2,0,0]=4 667 B5R0.5 CC(O)C(=O)[O-] C60888 [0,0,1,0,1,0|2,0,0]=4 668 B5R0.5 C[C@@H](Cl)C(=O)O C60901 [0,0,1,0,1,0|2,0,0]=4 669 B5R0.5 C[C@@H](N)C(N)=O A69602 [0,0,1,0,1,0|2,0,0]=4 670 B5R0.5 C[C@@H](O)C(N)=O H68918 [0,0,1,0,1,0|2,0,0]=4 671 B5R0.5 C[C@H](N)C(=O)O A39925 [0,0,1,0,1,0|2,0,0]=4 672 B5R0.5 C[C@H](N)C(=O)O A60902 [0,0,1,0,1,0|2,0,0]=4 673 B5R1.2 BrC1CCC1 B23687 [1,0,0,0,1,0|1,0,1]=4 674 B5R1.2 CC1CNC1 M1321 [1,0,0,0,1,0|1,0,1]=4 675 B5R1.2 C[C@H]1CCN1 M29512 [1,0,0,0,1,0|1,0,0]=3 676 B5R1.2 IC1CCC1 I23424 [1,0,0,0,1,0|1,0,1]=4 677 B5R1.2 NC1CCC1 C60561 [1,0,0,0,1,0|1,0,1]=4 678 B5R1.2 O=C1CCC1 C8674 [1,0,0,0,1,0|0,0,0]=2 679 B5R1.2 O=C1CNC1 A1318 [1,0,0,0,1,0|1,0,0]=3 680 B5R1.2 O=C1COC1 O4015 [1,0,0,0,1,0|1,0,0]=3 681 B5R1.2 O=C1CSC1 T6026 [1,0,0,0,1,0|1,0,0]=3 682 B5R1.2 [Mg+]C1CCC1 P5028 [1,0,0,0,1,0|1,0,1]=4 683 B5R1.4 C[C@@H]1C[C@H]1N M40340 [0,0,0,0,2,0|1,0,1]=4 684 B9R1.49 CN1CCNC(=O)CC1 M10175 [0,0,0,0,0,2|2,0,0]=4 685 B9R1.49 N[C@H]1CCCC(=O)NC1 A43464 [0,0,0,0,0,2|2,0,0]=4 686 B9R1.49 O=C1CCC[C@H](O)CN1 H41499 [0,0,0,0,0,2|2,0,0]=4 687 B9R1.48 C[C@H]1CC(=O)NCCN1 H7872 [0,0,0,0,0,2|1,0,0]=3