0 B9R1.35 CC(=O)N1CC[C@@H](O)C1 SC-53670 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.35 NC(=O)[C@@H]1C[C@@H](O)CN1 SC-88090 [0,0,0,0,0,0|1,0,0]=1 2 B9R1.35 NC1C=C(C(=O)O)CC1 SC-51450 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.35 N[C@@H]1CN[C@H](C(=O)O)C1 SC-23776 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.35 N[C@H]1CN[C@H](C(=O)O)C1 SC-24076 [0,0,0,0,0,0|1,0,0]=1 5 B9R1.35 O=C(O)C1CC(O)CN1 SC-29014 [0,0,0,0,0,0|0,0,0]=0 6 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CN1 SC-52573 [0,0,0,0,0,0|0,0,0]=0 7 B9R1.35 O=C(O)[C@@H]1C[C@H](O)CO1 SC-66730 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.35 O=C(O)[C@H]1C[C@H](O)CN1 SC-52422 [0,0,0,0,0,0|0,0,0]=0 9 B9R1.35 O=C1CN[C@H](C(=O)O)C1 SC-22199 [0,0,0,0,0,0|0,0,2]=2 10 B8R1.7 CC(=O)C1CCCC1 SC-34558 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.7 CC(O)C1CCCC1 SC-22091 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.7 N=C(N)C1CCCC1 SC-12462 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.7 N=C(N)C1CCCO1 SC-54449 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.7 NC(=O)[C@H]1CCCN1 SC-09817 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.7 O=C(Cl)C1=CCCC1 SC-61003 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.7 O=C(Cl)C1CCOC1 SC-45575 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.7 O=C(O)C1C=CCN1 SC-50874 [1,0,0,0,0,0|0,0,2]=3 18 B8R1.7 O=C(O)[C@@H]1C=CCN1 SC-21522 [1,0,0,0,0,0|0,0,2]=3 19 B8R1.7 O=C(O)[C@H]1C=CCN1 SC-52280 [1,0,0,0,0,0|0,0,2]=3 20 B8R1.7 O=C(O)[C@H]1CCOC1 SC-25181 [1,0,0,0,0,0|2,0,0]=3 21 B8R1.7 OC(=S)[C@H]1CCCO1 SC-28168 [1,0,0,0,0,0|1,1,0]=3 22 B8R1.7 [C@@H]1(C(N)=O)CCCN1 SC-09818 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.31 N#CC1CNC(C(=O)O)C1 SC-29107 [0,1,0,0,0,0|1,0,0]=2 24 B10R1.59 CN1C[C@@H](N)C[C@@H]1C(=O)[O-] SC-99757 [0,1,0,0,0,0|1,0,1]=3 25 B10R1.59 NC1CS(=O)CC1C(=O)O SC-29867 [0,1,0,0,0,0|2,0,1]=4 26 B10R1.359 O=C(O)C1CCS(=O)(=O)C1 SC-29409 [0,1,0,0,0,0|2,0,1]=4 27 B8R0.8 CCCCC(C)C(=O)Cl SC-40559 [0,0,1,0,0,0|3,0,0]=4 28 B8R0.8 NCCC[C@H](N)C(=O)O SC-10386 [0,0,1,0,0,0|3,0,0]=4 29 B8R0.9 NCC(=O)CCC(=O)O SC-52394 [0,0,1,0,0,0|0,0,2]=3 30 B8R0.9 NCC(=O)NCC(=O)O SC-17448 [0,0,1,0,0,0|1,0,2]=4 31 B8R0.15 C=C[C@@H](CCC)C(=O)O SC-31733 [0,0,1,0,0,0|2,0,1]=4 32 B8R0.15 C=C[C@H](CCC)C(=O)O SC-32017 [0,0,1,0,0,0|2,0,1]=4 33 B8R0.23 CC(C)CC(O)C(=O)O SC-25183 [0,0,1,0,0,0|2,0,0]=3 34 B8R0.23 CC(C)C[C@H](Cl)C(=O)O SC-08865 [0,0,1,0,0,0|2,0,0]=3 35 B8R0.23 NC(=O)C[C@H](N)C(=O)O SC-05405 [0,0,1,0,0,0|1,0,2]=4 36 B8R0.23 NC(CC(=O)O)C(=O)[O-] SC-20735 [0,0,1,0,0,0|1,0,2]=4 37 B8R0.23 NC(CC(F)F)C(=O)O SC-48857 [0,0,1,0,0,0|2,0,0]=3 38 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-15827 [0,0,1,0,0,0|1,0,2]=4 39 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-19578 [0,0,1,0,0,0|1,0,2]=4 40 B8R0.23 N[C@@H](CC(=O)O)C(=O)[O-] SC-65201 [0,0,1,0,0,0|1,0,2]=4 41 B8R0.23 O=C(O)CC(O)C(=O)O SC-19305 [0,0,1,0,0,0|2,0,1]=4 42 B8R0.23 O=C(O)CC(O)C(=O)O SC-43909 [0,0,1,0,0,0|2,0,1]=4 43 B8R0.23 O=C(O)C[C@@H](Cl)C(=O)O SC-04187 [0,0,1,0,0,0|2,0,1]=4 44 B8R0.23 O=C(O)C[C@H](Br)C(=O)O SC-26843 [0,0,1,0,0,0|2,0,1]=4 45 B8R0.28 C=C(C)CCCC(=O)O SC-31519 [0,0,1,0,0,0|2,0,1]=4 46 B8R0.28 O=C(O)CCCC(=O)O SC-16305 [0,0,1,0,0,0|2,0,1]=4 47 B8R0.28 O=C(O)CSCC(=O)O SC-19008 [0,0,1,0,0,0|2,0,1]=4 48 B10R2.357 O=C(O)C1CC2CC2C1 SC-25088 [0,0,0,1,0,0|2,0,0]=3 49 B10R2.357 [C@H]12C[C@H]1C[C@@H](C(N)=O)N2 SC-84318 [0,0,0,1,0,0|2,0,0]=3 50 B8R1.23 CC(=O)N1CC(O)C1 SC-93602 [0,0,0,0,1,0|2,0,0]=3 51 B8R1.23 N[C@H]1C[C@@H](C(=O)O)C1 SC-70419 [0,0,0,0,1,0|1,0,0]=2 52 B8R1.23 O=C(O)[C@H]1C[C@H](O)C1 SC-96294 [0,0,0,0,1,0|0,0,0]=1 53 B8R1.23 O=C1CC(C(=O)O)N1 SC-51258 [0,0,0,0,1,0|0,0,2]=3 54 B8R1.23 [C@@H]1(C(=O)O)CC(=O)N1 SC-15020 [0,0,0,0,1,0|0,0,2]=3 55 B10R1.13 CN1CCC(C(=O)O)CC1 SC-26675 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.13 O=C(O)[C@@H]1CC[C@@H](O)CN1 SC-51226 [0,0,0,0,0,1|0,0,0]=1 57 B10R1.13 O=C(O)[C@H]1CC[C@@H](O)CC1 SC-51087 [0,0,0,0,0,1|1,0,0]=2 58 B10R1.13 O=C1CNC(C(=O)O)CN1 SC-47913 [0,0,0,0,0,1|0,0,2]=3 59 B10R1.54 CC(=O)O[C@H]1C=C[C@@H](O)C1 SC-49020 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.113 CC1CCCC(C(=O)O)C1 SC-52381 [0,0,0,0,0,1|2,0,0]=3 61 B10R1.113 O=C(O)C1CNCC(O)C1 SC-26985 [0,0,0,0,0,1|0,0,0]=1 62 B10R1.113 O=C(O)C1CNCC(O)C1 SC-51267 [0,0,0,0,0,1|0,0,0]=1 63 B7R0.3 C=CCCC(O)CN SC-34956 [1,0,1,0,0,0|1,0,0]=3 64 B7R0.4 CC(=O)NCCCN SC-51489 [1,0,1,0,0,0|2,0,0]=4 65 B7R0.4 CCC\C=C\C(=O)O SC-39942 [1,0,1,0,0,0|1,0,1]=4 66 B7R0.4 O=C(O)CCCCCl SC-57902 [1,0,1,0,0,0|1,0,0]=3 67 B7R0.5 C#CCC(N)C(=O)O SC-70414 [1,0,1,0,0,0|0,0,2]=4 68 B7R0.5 C=CCC(N)C(=O)O SC-14116 [1,0,1,0,0,0|0,0,2]=4 69 B7R0.5 CCC[C@@H](C)C(=O)O SC-43566 [1,0,1,0,0,0|1,0,0]=3 70 B7R0.5 CCC[C@H](C)C(=O)O SC-67603 [1,0,1,0,0,0|1,0,0]=3 71 B7R0.5 CCC[C@H](O)C(=O)O SC-21948 [1,0,1,0,0,0|1,0,0]=3 72 B7R0.5 CC\C=C(/C)C(=O)O SC-62297 [1,0,1,0,0,0|1,0,1]=4 73 B7R0.5 COCC(N)C(=O)O SC-43930 [1,0,1,0,0,0|1,0,0]=3 74 B7R0.5 NCCC(O)C(=O)O SC-16245 [1,0,1,0,0,0|2,0,0]=4 75 B7R0.6 CN(C)CCC(=O)O SC-84792 [1,0,1,0,0,0|2,0,0]=4 76 B7R1.1 OC[C@@H]1CCCO1 SC-68774 [2,0,0,0,0,0|1,0,1]=4 77 B7R1.2 CC1CNC(C)C1 SC-69891 [2,0,0,0,0,0|1,0,1]=4 78 B7R1.2 C[C@@H]1C[C@H](O)CN1 SC-51782 [2,0,0,0,0,0|0,0,1]=3 79 B7R1.2 NC1CCC(O)C1 SC-45420 [2,0,0,0,0,0|2,0,0]=4 80 B7R1.2 NC1CNC(=O)C1 SC-68325 [2,0,0,0,0,0|1,0,1]=4 81 B7R1.2 N[C@H]1CNC(=O)C1 SC-52716 [2,0,0,0,0,0|1,0,1]=4 82 B7R1.2 O=C1C[C@@H](O)CO1 SC-49425 [2,0,0,0,0,0|1,0,1]=4 83 B7R1.2 OC1CCC(O)C1 SC-66165 [2,0,0,0,0,0|1,0,0]=3 84 B9R0.7 CC(CCC(=O)O)C(=O)O SC-53293 [0,1,1,0,0,0|1,0,1]=4 85 B9R0.47 C=CCCC[C@@H](C)C(=O)O SC-31827 [0,1,1,0,0,0|2,0,0]=4 86 B9R0.47 C=CCCC[C@H](C)C(=O)O SC-31058 [0,1,1,0,0,0|2,0,0]=4 87 B9R0.47 COCCC[C@@H](N)C(=O)O SC-49289 [0,1,1,0,0,0|2,0,0]=4 88 B9R0.43 COC(CCC(=O)O)OC SC-33144 [0,1,1,0,0,0|2,0,0]=4 89 B9R0.79 CC(C)[C@H](O)[C@@H](N)C(=O)O SC-48910 [0,1,1,0,0,0|1,0,0]=3 90 B9R0.79 NC(C(=O)O)C(N)C(=O)O SC-10250 [0,1,1,0,0,0|1,0,1]=4 91 B9R0.79 N[C@H](C(=O)O)[C@@H](O)C(=O)O SC-10299 [0,1,1,0,0,0|1,0,1]=4 92 B9R0.79 N[C@H](C(=O)O)[C@H](O)C(=O)O SC-10301 [0,1,1,0,0,0|1,0,1]=4 93 B9R0.56 CC(F)(F)CCCC(=O)O SC-34273 [0,1,1,0,0,0|2,0,0]=4 94 B9R1.11 CCC(=O)C1CCCC1 SC-69831 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.11 COC(=O)C1C=CCN1 SC-51004 [1,1,0,0,0,0|0,0,2]=4 96 B9R1.11 COC(=O)C1CCCO1 SC-03960 [1,1,0,0,0,0|1,0,0]=3 97 B9R1.11 N=C(NO)C1CCCC1 SC-56231 [1,1,0,0,0,0|2,0,0]=4 98 B9R1.11 NNC(=O)C1CCCC1 SC-59719 [1,1,0,0,0,0|2,0,0]=4 99 B9R1.11 N\C(=N\O)C1CCCC1 SC-29653 [1,1,0,0,0,0|2,0,0]=4 100 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-21501 [1,1,0,0,0,0|0,0,0]=2 101 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-28867 [1,1,0,0,0,0|0,0,0]=2 102 B9R1.41 CN1CCC[C@@H]1C(=O)O SC-52270 [1,1,0,0,0,0|0,0,0]=2 103 B9R1.41 CN1CCC[C@H]1C(=O)O SC-23602 [1,1,0,0,0,0|0,0,0]=2 104 B9R1.41 NC1CCCC1C(=O)O SC-29667 [1,1,0,0,0,0|1,0,0]=3 105 B9R1.41 NC1CCNC1C(=O)O SC-49345 [1,1,0,0,0,0|0,0,0]=2 106 B9R1.41 NC1CCSC1C(=O)O SC-29866 [1,1,0,0,0,0|1,0,0]=3 107 B9R1.41 NC1CSCC1C(=O)O SC-30185 [1,1,0,0,0,0|2,0,0]=4 108 B9R1.41 O=C(O)C1CCCC1=O SC-53677 [1,1,0,0,0,0|1,0,0]=3 109 B9R1.163 CC(=O)C1(O)CCCC1 SC-41840 [1,1,0,0,0,0|2,0,0]=4 110 B9R1.163 CC1(C(=O)O)CCCN1 SC-26124 [1,1,0,0,0,0|0,0,0]=2 111 B9R1.163 CC1(C(=O)O)CCNC1 SC-69239 [1,1,0,0,0,0|2,0,0]=4 112 B9R1.163 C[C@@]1(C(N)=O)CCCN1 SC-88089 [1,1,0,0,0,0|1,0,0]=3 113 B9R1.163 NC1(C(=O)O)CCNC1 SC-49720 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.55 C=C1CC(C(=O)O)C1N SC-29613 [0,1,0,0,1,0|1,0,1]=4 115 B9R1.52 C=C1CC(N)C1C(=O)O SC-29552 [0,1,0,0,1,0|2,0,0]=4 116 B11R1.3 NN[C@H]1CC[C@H](C(=O)O)CC1 SC-13747 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.21 NC1CCC(C(=O)O)NC1=O SC-49698 [0,1,0,0,0,1|1,0,1]=4 118 B11R1.23 COC(=O)C1CC(N)CCN1 SC-60005 [0,1,0,0,0,1|1,0,0]=3 119 B11R1.23 COC(=O)C1CNCC(O)C1 SC-21858 [0,1,0,0,0,1|0,0,0]=2 120 B11R1.23 COC(=O)C1CNCC(O)C1 SC-97068 [0,1,0,0,0,1|0,0,0]=2 121 B11R1.74 NC1CC(=O)NC(C(=O)O)C1 SC-69983 [0,1,0,0,0,1|1,0,0]=3 122 B11R1.730 CC1(C)CC(C(=O)O)CCO1 SC-65921 [0,1,0,0,0,1|2,0,0]=4 123 B11R1.15 CCOC(=O)[C@H]1C[C@@H](O)CN1 SC-00806 [0,2,0,0,0,0|0,0,0]=2 124 B11R1.15 CCOC(=O)[C@H]1C[C@@H](O)CN1 SC-42384 [0,2,0,0,0,0|0,0,0]=2 125 B11R1.44 COC(=O)C1CCC(OC)N1 SC-52730 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.866 COC(=O)C1CCC(F)(F)C1 SC-68617 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.175 O=C(O)C1CCC(C(=O)O)N1 SC-49849 [0,2,0,0,0,0|2,0,0]=4 128 B9R1.6 NC(=O)C1CCCCN1 SC-13181 [0,0,1,1,0,0|2,0,0]=4 129 B9R1.6 O=C(O)C1=CCCOC1 SC-35927 [0,0,1,1,0,0|1,0,1]=4 130 B9R1.6 O=C(O)C1CCCNC1 SC-04844 [0,0,1,1,0,0|2,0,0]=4 131 B9R1.6 O=C(O)C1CNCCN1 SC-03270 [0,0,1,1,0,0|1,0,0]=3 132 B9R1.6 O=C(O)C1CNCCS1 SC-49246 [0,0,1,1,0,0|2,0,0]=4 133 B9R1.6 O=C(O)[C@@H]1CCCNN1 SC-49631 [0,0,1,1,0,0|2,0,0]=4 134 B9R1.6 [C@H]1(C(=O)O)CCCNC1 SC-05572 [0,0,1,1,0,0|2,0,0]=4 135 B9R1.112 C[C@H](NC1CC1)C(=O)O SC-11115 [0,0,1,1,0,0|1,0,0]=3 136 B11R2.845 [C@H]12CC[C@H](C1)N[C@@H]2C(=O)O SC-20781 [0,0,0,1,0,1|2,0,0]=4 137 B7R0.16 CC(C)C(O)C(=O)O SC-08874 [0,0,1,0,1,0|2,0,0]=4 138 B7R0.16 CC(N)C(N)C(=O)O SC-10139 [0,0,1,0,1,0|1,0,0]=3 139 B7R0.16 C[C@@H](O)[C@H](N)C(N)=O SC-09895 [0,0,1,0,1,0|1,0,0]=3 140 B7R0.16 C[C@H](N)[C@H](N)C(=O)O SC-10141 [0,0,1,0,1,0|1,0,0]=3 141 B7R0.16 [C@@H](Cl)(C(=O)O)C(C)C SC-03021 [0,0,1,0,1,0|2,0,0]=4 142 B7R1.10 NC1CC(CO)C1 SC-88222 [1,0,0,0,1,0|1,0,1]=4 143 B7R1.10 NC[C@H]1C[C@@H](O)C1 SC-52916 [1,0,0,0,1,0|1,0,1]=4 144 B7R1.10 OCC1CC(F)C1 SC-25285 [1,0,0,0,1,0|1,0,1]=4 145 B7R1.18 N=C(N)C1CCC1 SC-12460 [1,0,0,0,1,0|2,0,0]=4 146 B7R1.18 O=C(O)C1CCN1 SC-53260 [1,0,0,0,1,0|0,0,0]=2 147 B7R1.12 CC1CC1C(=O)Cl SC-60998 [0,0,0,0,2,0|2,0,0]=4 148 B7R1.12 CC1CC1C(=O)O SC-71058 [0,0,0,0,2,0|1,0,0]=3 149 B9R0.4 CCCC[C@@H](C)CC(=O)O SC-52448 [0,0,1,0,0,1|2,0,0]=4 150 B9R0.55 CN(C)CCNCC(=O)O SC-48750 [0,0,1,0,0,1|2,0,0]=4 151 B9R1.13 O=C(O)C=C1CCCC1 SC-36663 [1,0,0,0,0,1|1,0,1]=4 152 B9R1.13 O=C(O)CC1CCCC1 SC-65869 [1,0,0,0,0,1|1,0,0]=3 153 B9R1.13 O=C(O)CC1CCNC1 SC-48282 [1,0,0,0,0,1|2,0,0]=4