0 B10R1.18 CC(=O)NC1=CC=CC=C1 M19489 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.18 CC(=O)OC1=CC=CC=C1 M10882 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.18 CC(=S)Nc1ccccc1 M27241 [0,0,0,0,0,0|2,1,0]=3 3 B10R1.18 O=C(O)CC1=CN=CC=C1 M15439 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.18 O=C(O)Cc1ccccc1 M19689 [0,0,0,0,0,0|0,0,0]=0 5 B9R1.8 CCOC1=CC=CC=C1 M23245 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.8 CNCc1ccccc1 M21326 [1,0,0,0,0,0|2,0,0]=3 7 B9R1.8 NCCc1ccccc1 M18943 [1,0,0,0,0,0|1,0,1]=3 8 B9R1.8 NCCc1ccccc1 M20880 [1,0,0,0,0,0|1,0,1]=3 9 B9R1.8 NCCc1ccccn1 M24275 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.8 O=CCC1=CC=CC=C1 M17893 [1,0,0,0,0,0|0,0,0]=1 11 B9R1.8 OCCC1=CC=CC=C1 M15237 [1,0,0,0,0,0|0,0,1]=2 12 B9R1.8 OCCC1=CC=CC=N1 M10186 [1,0,0,0,0,0|1,0,1]=3 13 B9R1.8 O\N=C\c1ccccc1 M27255 [1,0,0,0,0,0|1,0,1]=3 14 B11R1.20 CC(=O)NC1=CC=C(O)C=C1 M10198 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.20 CC(=O)Oc1ccc(O)cc1 M22549 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.20 N=C(N)Nc1ccc(Cl)cc1 M27453 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.20 NC(=O)NC1=CC=C(Cl)C=C1 M22869 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.20 O=C(O)Cc1ccc(O)cc1 M18084 [0,1,0,0,0,0|0,0,0]=1 19 B11R1.20 [C@H](C)(N)Cc1ccc(O)cc1 M22223 [0,1,0,0,0,0|2,0,1]=4 20 B11R1.36 C=C(C(=O)O)C1=CC=CC=C1 M14651 [0,1,0,0,0,0|0,0,1]=2 21 B11R1.36 CC(=O)C(=O)c1ccccc1 M20856 [0,1,0,0,0,0|1,0,1]=3 22 B11R1.36 NC(C(=O)O)c1ccccc1 M26535 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.36 O=C(O)C(=O)c1ccccc1 M21366 [0,1,0,0,0,0|0,0,1]=2 24 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 M18892 [0,1,0,0,0,0|0,0,0]=1 25 B11R1.36 O=C(O)C(O)c1ccccc1 M19671 [0,1,0,0,0,0|0,0,0]=1 26 B11R1.40 C=CC(=O)Nc1ccccc1 M23998 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.86 O=C(O)Cc1ccccc1O M20039 [0,1,0,0,0,0|0,0,0]=1 28 B11R1.157 CC(=O)NC1=CC=CC(O)=C1 M15352 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.157 CC(=O)OC1=CC=CC(C)=C1 M19519 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.157 CC(=O)OC1=CC=CC(O)=C1 M22104 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.157 CC(N)Cc1cccc(O)c1 M28405 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.157 O=C(O)Cc1cccc(O)c1 M19649 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.509 O=S(=O)(F)CC1=CC=CC=C1 M14093 [0,1,0,0,0,0|1,0,1]=3 34 B11R1.509 [*][N+](C)(C)CC1=CC=CC=C1 M15995 [0,1,0,0,0,0|3,0,0]=4 35 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 M13104 [0,0,0,1,0,0|2,0,1]=4 36 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 M21134 [0,0,0,1,0,0|2,0,1]=4 37 B11R2.10 NC1=NC2=CC=CC=C2S1 M11521 [0,0,0,1,0,0|2,1,0]=4 38 B11R2.10 O=C1Cc2ccccc2N1 M22658 [0,0,0,1,0,0|1,0,0]=2 39 B11R2.10 O=C1NC2=CC=CC=C2N1 M15321 [0,0,0,1,0,0|2,0,0]=3 40 B11R2.10 S=C1NC2=CC=CC=C2S1 M23643 [0,0,0,1,0,0|1,2,0]=4 41 B9R1.6 CC(=O)c1ccccc1 M20888 [0,0,0,0,1,0|1,0,0]=2 42 B9R1.6 CC(=O)c1cnccn1 M20258 [0,0,0,0,1,0|3,0,0]=4 43 B9R1.6 C[C@H](O)c1ccccc1 M19564 [0,0,0,0,1,0|1,0,1]=3 44 B9R1.6 N=C(N)c1ccccc1 M21570 [0,0,0,0,1,0|2,0,0]=3 45 B9R1.6 NC(=O)C1=CC=CC=C1 M18793 [0,0,0,0,1,0|1,0,0]=2 46 B9R1.6 NC(=O)C1=CC=CC=N1 M18028 [0,0,0,0,1,0|2,0,0]=3 47 B9R1.6 NC(=O)C1=CC=CN=C1 M16902 [0,0,0,0,1,0|2,0,0]=3 48 B9R1.6 NC(=O)C1=CC=NC=C1 M11951 [0,0,0,0,1,0|2,0,0]=3 49 B9R1.6 NC(=O)C1=NC=CN=C1 M16904 [0,0,0,0,1,0|3,0,0]=4 50 B9R1.6 NC(=S)C1=CC=NC=C1 M13498 [0,0,0,0,1,0|2,1,0]=4 51 B9R1.6 O=C(O)C1=CC=CC=C1 M15503 [0,0,0,0,1,0|0,0,0]=1 52 B9R1.6 O=C(O)C1=CC=CN=C1 M15214 [0,0,0,0,1,0|1,0,0]=2 53 B9R1.6 O=C(O)C1=NC=CN=C1 M16905 [0,0,0,0,1,0|2,0,0]=3 54 B9R1.6 O=C(O)c1ccccn1 M19678 [0,0,0,0,1,0|1,0,0]=2 55 B9R1.6 O=C(O)c1ccncc1 M22651 [0,0,0,0,1,0|1,0,0]=2 56 B9R1.6 O=C([O-])c1ccccc1 M21192 [0,0,0,0,1,0|0,0,1]=2 57 B9R1.6 O=C([O-])c1ccccn1 M18036 [0,0,0,0,1,0|1,0,1]=3 58 B9R1.6 O=[PH](O)c1ccccc1 M27267 [0,0,0,0,1,0|1,0,0]=2 59 B9R1.6 OB(O)c1ccccc1 M27962 [0,0,0,0,1,0|1,0,1]=3 60 B11R1.91 CC(=O)CCC1=CC=CC=C1 M18315 [0,0,0,0,0,1|1,0,0]=2 61 B11R1.91 CC(=O)COc1ccccc1 M27826 [0,0,0,0,0,1|1,0,0]=2 62 B11R1.91 CC(=O)NCc1ccccc1 M22662 [0,0,0,0,0,1|1,0,0]=2 63 B11R1.91 CC(=O)OCc1ccccc1 M20248 [0,0,0,0,0,1|1,0,0]=2 64 B11R1.91 CC(=O)O[Hg]C1=CC=CC=C1 M19512 [0,0,0,0,0,1|2,0,0]=3 65 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 M18165 [0,0,0,0,0,1|1,0,1]=3 66 B11R1.91 NC(=O)NCc1ccccc1 M27376 [0,0,0,0,0,1|1,0,0]=2 67 B11R1.91 NC(=O)\C=C\c1ccccc1 M26562 [0,0,0,0,0,1|1,0,1]=3 68 B11R1.91 O=C(O)CCc1ccccc1 M18665 [0,0,0,0,0,1|0,0,0]=1 69 B11R1.91 O=C(O)\C=C\c1ccccc1 M17997 [0,0,0,0,0,1|0,0,1]=2 70 B11R1.91 O=C(O)\C=C\c1ccccc1 M20349 [0,0,0,0,0,1|0,0,1]=2 71 B8R1.2 C=CC1=CC=CC=N1 M19493 [2,0,0,0,0,0|1,0,1]=4 72 B8R1.2 COc1ccccc1 M20226 [2,0,0,0,0,0|1,0,1]=4 73 B8R1.2 NCC1=CC=CN=C1 M14288 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.2 NCc1ccccc1 M19712 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.2 O=CC1=CC=CC=C1 M17745 [2,0,0,0,0,0|0,0,0]=2 76 B8R1.2 OCC1=CC=CC=C1 M10041 [2,0,0,0,0,0|0,0,0]=2 77 B8R1.2 OCC1=CC=CC=N1 M15162 [2,0,0,0,0,0|1,0,0]=3 78 B8R1.2 OCC1=CN=CC=C1 M10048 [2,0,0,0,0,0|1,0,0]=3 79 B10R1.1 N#CCc1ccc(O)cc1 M22659 [1,1,0,0,0,0|1,0,1]=4 80 B10R1.1 NCCC1=CC=C(O)C=C1 M13750 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.1 NCCc1ccc(O)cc1 M18703 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.1 NCCc1ccc(O)cc1 M21102 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.1 OCCc1ccc(O)cc1 M18667 [1,1,0,0,0,0|0,0,1]=3 84 B10R1.4 C=CCc1ccccc1O M27275 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.4 O\N=C\C1=CC=CC=C1O M24996 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.15 C=CC(O)c1ccccc1 M28378 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.15 N#C[C@H](O)c1ccccc1 M23208 [1,1,0,0,0,0|1,0,1]=4 88 B10R1.15 NCC(O)c1ccccc1 M19713 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.15 O=CC(=O)c1ccccc1 M28183 [1,1,0,0,0,0|0,0,1]=3 90 B10R1.15 OCC(O)C1=CC=CC=C1 M16691 [1,1,0,0,0,0|0,0,1]=3 91 B10R1.17 CCOCc1ccccc1 M28093 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.17 NNCCC1=CC=CC=C1 M28748 [1,1,0,0,0,0|1,0,1]=4 93 B10R1.17 NNCCc1ccccc1 M22671 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.17 NNCCc1ccccc1 M28381 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.17 O=C\C=C\C1=CC=CC=C1 M17778 [1,1,0,0,0,0|0,0,1]=3 96 B10R1.17 O=C\C=C\C1=CC=CC=C1 M18016 [1,1,0,0,0,0|0,0,1]=3 97 B10R1.17 OCCCC1=CC=CC=C1 M19330 [1,1,0,0,0,0|0,0,1]=3 98 B10R1.17 OCCOC1=CC=CC=C1 M23407 [1,1,0,0,0,0|0,0,1]=3 99 B10R1.17 OC\C=C\C1=CC=CC=C1 M17777 [1,1,0,0,0,0|0,0,1]=3 100 B10R1.17 S=C=NCC1=CC=CC=C1 M15355 [1,1,0,0,0,0|0,1,1]=4 101 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M23388 [0,1,0,0,1,0|1,0,0]=3 102 B10R1.13 CC(=O)C1=CC=C(O)C=C1 M19367 [0,1,0,0,1,0|1,0,0]=3 103 B10R1.13 Cc1ccc(C(=O)O)cc1 M22657 [0,1,0,0,1,0|0,0,0]=2 104 B10R1.13 NC(=O)c1ccc(N)nc1 M20842 [0,1,0,0,1,0|2,0,0]=4 105 B10R1.13 NC1=CC=C(C(=O)O)C=C1 M12088 [0,1,0,0,1,0|0,0,0]=2 106 B10R1.13 Nc1ccc(C(=O)O)cn1 M21251 [0,1,0,0,1,0|1,0,0]=3 107 B10R1.13 O=C(O)C1=CC=C(O)C=C1 M19308 [0,1,0,0,1,0|0,0,0]=2 108 B10R1.13 O=C(O)c1ccc(O)nc1 M19612 [0,1,0,0,1,0|1,0,0]=3 109 B10R1.13 O=C1C=CC(C(=O)O)=CO1 M21279 [0,1,0,0,1,0|1,0,0]=3 110 B10R1.13 O=[N+]([O-])c1ccc(O)cc1 M20047 [0,1,0,0,1,0|1,0,1]=4 111 B10R1.28 NS(=O)(=O)C1=CC=CC=C1 M17719 [0,1,0,0,1,0|1,0,1]=4 112 B10R1.61 CC(=O)C1=CC=CC=C1O M17863 [0,1,0,0,1,0|1,0,0]=3 113 B10R1.61 CC(=O)c1ccccc1C M28091 [0,1,0,0,1,0|1,0,0]=3 114 B10R1.61 Cc1ccccc1C(=O)O M21382 [0,1,0,0,1,0|0,0,0]=2 115 B10R1.61 NC(=O)C1=CC=CC=C1O M15487 [0,1,0,0,1,0|1,0,0]=3 116 B10R1.61 Nc1ccccc1C(=O)O M19857 [0,1,0,0,1,0|0,0,0]=2 117 B10R1.61 O=C(O)C1=CC=CC=C1I M24907 [0,1,0,0,1,0|0,0,0]=2 118 B10R1.61 O=C(O)C1=CC=CC=C1O M15674 [0,1,0,0,1,0|0,0,0]=2 119 B10R1.61 O=C(O)C1=NC=CC=C1S M24253 [0,1,0,0,1,0|1,0,0]=3 120 B10R1.61 O=C(O)c1ncccc1O M20615 [0,1,0,0,1,0|1,0,0]=3 121 B10R1.61 O=C([O-])C1=CC=CC=C1O M14942 [0,1,0,0,1,0|0,0,1]=3 122 B10R1.113 C[n+]1cccc(C(=O)O)c1 M18902 [0,1,0,0,1,0|1,0,0]=3 123 B10R1.113 C[n+]1cccc(C(=O)[O-])c1 M18756 [0,1,0,0,1,0|1,0,1]=4 124 B10R1.113 C[n+]1cccc(C(N)=O)c1 M19773 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.113 Cc1cccc(C(=O)Cl)c1 M21101 [0,1,0,0,1,0|1,0,0]=3 126 B10R1.113 NC(=O)C1=CC(N)=CC=C1 M14208 [0,1,0,0,1,0|1,0,0]=3 127 B10R1.113 NC(=O)C1=C[N+]([O-])=CC=C1 M13105 [0,1,0,0,1,0|2,0,0]=4 128 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 M29526 [0,1,0,0,1,0|0,0,0]=2 129 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 M13693 [0,1,0,0,1,0|1,0,0]=3 130 B10R1.113 O=C(O)c1cccc(O)c1 M19679 [0,1,0,0,1,0|0,0,0]=2 131 B10R1.23 N[C@H](C(=O)O)c1ccsc1 M28171 [0,1,0,0,1,0|1,0,0]=3 132 B10R1.54 Nc1nc(CC(=O)O)cs1 M21248 [0,1,0,0,1,0|2,0,0]=4 133 B10R1.54 O=C(O)Cc1nc(Cl)cs1 M20733 [0,1,0,0,1,0|2,0,0]=4 134 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 M18780 [0,1,0,0,0,1|1,0,0]=3 135 B12R1.21 CC(=O)NCc1ccc(Cl)nc1 M28118 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 M23850 [0,1,0,0,0,1|0,0,1]=3 137 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 M27193 [0,1,0,0,0,1|1,0,1]=4 138 B12R1.21 N=C(N)SCc1ccc(Cl)cc1 M27780 [0,1,0,0,0,1|2,0,0]=4 139 B12R1.21 O=C(O)CCc1ccc(O)cc1 M18668 [0,1,0,0,0,1|0,0,0]=2 140 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 M14694 [0,1,0,0,0,1|0,0,1]=3 141 B12R1.21 O=C(O)\C=C\c1ccc(O)cc1 M19059 [0,1,0,0,0,1|0,0,1]=3 142 B12R1.27 COC(=O)CCc1ccccc1 M28729 [0,1,0,0,0,1|0,0,0]=2 143 B12R1.27 COC(=O)\C=C\c1ccccc1 M20228 [0,1,0,0,0,1|0,0,1]=3 144 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O M15427 [0,1,0,0,0,1|0,0,0]=2 145 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O M15568 [0,1,0,0,0,1|0,0,0]=2 146 B12R1.43 O=C(O)C(=O)Cc1ccccc1 M20034 [0,1,0,0,0,1|0,0,0]=2 147 B12R1.43 O=C(O)C(O)Cc1ccccc1 M19335 [0,1,0,0,0,1|0,0,0]=2 148 B12R1.43 O=C(O)[C@@H](O)Cc1ccccc1 M20030 [0,1,0,0,0,1|0,0,0]=2 149 B12R1.43 O=C(O)[C@H](O)Cc1ccccc1 M19976 [0,1,0,0,0,1|0,0,0]=2 150 B12R1.43 O=C([O-])C(=O)Cc1ccccc1 M19939 [0,1,0,0,0,1|0,0,1]=3 151 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O M28293 [0,1,0,0,0,1|0,0,0]=2 152 B12R1.107 CC(=O)CC(=O)c1ccccc1 M27253 [0,1,0,0,0,1|1,0,0]=3 153 B12R1.107 CC(CC(=O)O)c1ccccc1 M27054 [0,1,0,0,0,1|0,0,0]=2 154 B12R1.125 O=C(O)CCc1ccccc1O M19688 [0,1,0,0,0,1|0,0,0]=2 155 B12R1.125 O=C(O)\C=C\c1ccccc1O M21301 [0,1,0,0,0,1|0,0,1]=3 156 B12R1.226 O=C(O)CCc1cccc(O)c1 M20847 [0,1,0,0,0,1|0,0,0]=2 157 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 M24580 [0,1,0,0,0,1|0,0,1]=3 158 B12R1.226 O=C(O)\C=C\c1cccc(O)c1 M20834 [0,1,0,0,0,1|0,0,1]=3 159 B12R1.4 COc1ccc(CC(=O)O)cc1 M20229 [0,2,0,0,0,0|0,0,0]=2 160 B12R1.19 O=C(O)Cc1ccc(O)c(O)c1 M19538 [0,2,0,0,0,0|0,0,0]=2 161 B12R1.20 N[C@H](C(=O)O)c1ccc(F)cc1 M27369 [0,2,0,0,0,0|0,0,0]=2 162 B12R1.20 N[C@H](C(=O)O)c1ccc(O)cc1 M19593 [0,2,0,0,0,0|0,0,0]=2 163 B12R1.20 O=C(O)C(O)c1ccc(O)cc1 M20044 [0,2,0,0,0,0|0,0,0]=2 164 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 M23761 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.106 CC1=CC=C(OS(=O)(=O)O)C=C1 M24256 [0,2,0,0,0,0|2,0,0]=4 166 B12R1.225 NC(C(=O)O)c1cccc(O)c1 M27697 [0,2,0,0,0,0|0,0,0]=2 167 B12R1.225 O=C(O)C(O)c1cccc(O)c1 M20931 [0,2,0,0,0,0|0,0,0]=2 168 B12R1.225 [C@@H](N)(C(=O)O)C1=CC(O)=CC=C1 M27701 [0,2,0,0,0,0|0,0,0]=2 169 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 M16489 [0,2,0,0,0,0|0,0,0]=2 170 B12R1.32 CCOC(=O)Cc1ccccc1 M27076 [0,2,0,0,0,0|0,0,0]=2 171 B12R1.75 CSC1=CC=CC=C1NC(C)=O M15386 [0,2,0,0,0,0|2,0,0]=4 172 B12R1.127 O=C(O)CC1=C(O)C=CC(O)=C1 M18561 [0,2,0,0,0,0|0,0,0]=2 173 B12R1.438 COc1cccc(CC(=O)O)c1 M22652 [0,2,0,0,0,0|0,0,0]=2 174 B10R2.6 C1=CC=C(C2CO2)C=C1 M19497 [1,0,0,1,0,0|0,0,1]=3 175 B10R2.7 c1ccc2c(c1)CCO2 M22654 [1,0,0,1,0,0|0,0,1]=3 176 B12R2.24 O=C1C=CC2=CC=CC=C2O1 M16582 [0,0,0,1,0,1|0,0,1]=3 177 B12R2.24 O=C1CCC2=C(C=CC=C2)C1 M14885 [0,0,0,1,0,1|1,0,0]=3 178 B12R2.24 O=C1CCC2=CC=CC=C2O1 M17874 [0,0,0,1,0,1|0,0,0]=2 179 B12R2.24 OC1=CC=C2C=CC=CC2=C1 M11424 [0,0,0,1,0,1|1,0,1]=4 180 B12R2.24 Oc1cnc2ccccc2n1 M28967 [0,0,0,1,0,1|1,0,1]=4 181 B12R2.606 Nc1nc2cc(Cl)ccc2o1 M15338 [0,1,0,1,0,0|2,0,0]=4 182 B12R2.606 O=C1Cc2cc(O)ccc2N1 M28142 [0,1,0,1,0,0|1,0,0]=3 183 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)O1 M16810 [0,1,0,1,0,0|1,0,0]=3 184 B12R2.606 O=C1NC2=C(C=CC(Cl)=C2)S1 M13202 [0,1,0,1,0,0|1,1,0]=4 185 B12R2.606 O=C1OC2=C(C=CC(O)=C2)S1 M14670 [0,1,0,1,0,0|1,0,0]=3 186 B12R2.18 CC1C(=O)NC2=CC=CC=C21 M12096 [0,1,0,1,0,0|1,0,0]=3 187 B12R2.18 O=C1NC2=CC=CC=C2C1=O M19257 [0,1,0,1,0,0|1,0,1]=4 188 B8R1.7 O=C(O)c1ccco1 M20299 [0,0,0,0,2,0|1,0,0]=3 189 B8R1.7 O=C(O)c1ccoc1 M20037 [0,0,0,0,2,0|1,0,0]=3 190 B8R1.7 O=C(O)c1cnsc1 M20297 [0,0,0,0,2,0|2,0,0]=4 191 B12R1.252 O=C(O)CCCc1ccccc1 M20554 [0,0,0,0,0,2|0,0,0]=2 192 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 M12616 [0,0,0,0,0,2|0,0,1]=3