0 B6R0.1 CCCC(=O)NN AC-19259 [0,0,0,0,0,0|2,0,0]=2 1 B6R0.1 CCOC(=O)CN AC-65788 [0,0,0,0,0,0|3,0,0]=3 2 B6R0.1 CCOC(=O)CO AC-76790 [0,0,0,0,0,0|3,0,0]=3 3 B6R0.1 CCOC(=O)NN AC-12613 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.1 CNC(=O)CC#N AC-41874 [0,0,0,0,0,0|2,0,1]=3 5 B6R0.1 COC(=O)CCS AC-74164 [0,0,0,0,0,0|1,1,0]=2 6 B6R0.1 COCC(=O)NN AC-48684 [0,0,0,0,0,0|3,0,0]=3 7 B5R0.1 C[C@@H](N)CCO AC-68296 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.1 N#CCC(N)=O AC-76913 [1,0,0,0,0,0|2,0,1]=4 9 B7R0.2 COC(=O)C[C@@H](C)O AC-45412 [0,1,0,0,0,0|0,1,0]=2 10 B7R0.2 COC(=O)C[C@H](C)N AC-85773 [0,1,0,0,0,0|0,1,0]=2 11 B7R0.2 COC(=O)\C=C(\C)N AC-76771 [0,1,0,0,0,0|0,1,2]=4 12 B7R0.3 COC(=O)CCCN AC-34788 [0,1,0,0,0,0|0,1,0]=2 13 B7R0.5 CCOC(=O)C(F)F AC-20217 [0,1,0,0,0,0|3,0,0]=4 14 B7R0.5 CCOC(=O)[C@@H](C)N AC-76925 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.5 CCOC(=O)[C@@H](C)O AC-79265 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.7 CCCC(=O)OCCl AC-74037 [0,1,0,0,0,0|0,1,0]=2 17 B7R0.7 CCCC(=S)OCC AC-29188 [0,1,0,0,0,0|0,2,0]=3 18 B7R0.7 CCNC(=O)CC#N AC-86685 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.7 CCOC(=O)CCN AC-28868 [0,1,0,0,0,0|1,1,0]=3 20 B7R0.7 CCOC(=O)CCS AC-74165 [0,1,0,0,0,0|1,1,0]=3 21 B7R0.7 CCOC(=O)CNC AC-66254 [0,1,0,0,0,0|1,1,0]=3 22 B7R0.7 CCOC(=O)CNN AC-53410 [0,1,0,0,0,0|2,1,0]=4 23 B7R0.10 C=C(CBr)C(=O)OC AC-13327 [0,1,0,0,0,0|1,1,1]=4 24 B7R0.10 CCC(Br)C(=O)OC AC-76789 [0,1,0,0,0,0|0,1,0]=2 25 B7R0.10 COC(=O)C(N)CO AC-16201 [0,1,0,0,0,0|1,1,0]=3 26 B7R0.10 COC(=O)[C@@H](N)CN AC-60857 [0,1,0,0,0,0|1,1,0]=3 27 B7R0.10 COC(=O)[C@@H](N)CS AC-17049 [0,1,0,0,0,0|1,1,0]=3 28 B7R0.10 COC(=O)[C@H](N)CO AC-21878 [0,1,0,0,0,0|1,1,0]=3 29 B7R1.1 O=CC1=CCCC1 AC-80756 [0,0,0,1,0,0|3,0,0]=4 30 B7R1.1 ON=C1CCCC1 AC-83680 [0,0,0,1,0,0|3,0,0]=4 31 B7R1.2 CC1=CSC(=O)N1 AC-93701 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.2 CC1=NNC(=O)C1 AC-31598 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.2 CC1CNC(=O)C1 AC-86644 [0,0,0,1,0,0|1,0,0]=2 34 B7R1.2 CN1CCC(=O)C1 AC-31742 [0,0,0,1,0,0|2,0,0]=3 35 B7R1.2 NC1CCC(=O)C1 AC-82061 [0,0,0,1,0,0|2,0,0]=3 36 B7R1.2 NC1CCC(=O)C1 AC-84406 [0,0,0,1,0,0|2,0,0]=3 37 B7R1.2 NC1CNC(=O)C1 AC-91662 [0,0,0,1,0,0|2,0,0]=3 38 B7R1.2 NC1CNC(=O)C1 AC-92213 [0,0,0,1,0,0|2,0,0]=3 39 B7R1.2 O=C1CC(O)CN1 AC-45367 [0,0,0,1,0,0|2,0,0]=3 40 B7R1.2 O=C1CSC(=O)N1 AC-13374 [0,0,0,1,0,0|2,0,1]=4 41 B7R1.2 O=C1C[C@H](O)CN1 AC-16846 [0,0,0,1,0,0|2,0,0]=3 42 B7R1.2 O=C1OCC(F)O1 AC-66136 [0,0,0,1,0,0|2,1,0]=4 43 B7R1.3 BrC1=CCOCC1 AC-71793 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.3 BrC1CCCCC1 AC-77401 [0,0,0,1,0,0|2,0,1]=4 45 B7R1.3 C[C@@H]1CCCCN1 AC-72494 [0,0,0,1,0,0|2,0,1]=4 46 B7R1.3 NN1CCCCC1 AC-22789 [0,0,0,1,0,0|3,0,0]=4 47 B7R1.3 O=C1C=CCCN1 AC-80994 [0,0,0,1,0,0|1,0,2]=4 48 B7R1.3 O=C1CCNCC1 AC-76761 [0,0,0,1,0,0|2,0,0]=3 49 B7R1.3 O=C1CCOCC1 AC-15730 [0,0,0,1,0,0|2,0,0]=3 50 B7R1.3 O=S1CCOCC1 AC-96400 [0,0,0,1,0,0|3,0,0]=4 51 B7R1.4 BrC1=C(Br)CCC1 AC-20278 [0,0,0,1,0,0|3,0,0]=4 52 B7R1.4 CC1CCNC1=O AC-80276 [0,0,0,1,0,0|2,0,0]=3 53 B7R1.4 CC1OCCC1=O AC-16100 [0,0,0,1,0,0|2,0,0]=3 54 B7R1.4 CN1CCNC1=S AC-22042 [0,0,0,1,0,0|2,1,0]=4 55 B7R1.4 NC1CCNC1=O AC-56337 [0,0,0,1,0,0|3,0,0]=4 56 B7R1.4 NC1CCNC1=O AC-84054 [0,0,0,1,0,0|3,0,0]=4 57 B7R1.4 N[C@@H]1CCNC1=O AC-41460 [0,0,0,1,0,0|3,0,0]=4 58 B7R1.4 N[C@H]1CCOC1=O AC-59650 [0,0,0,1,0,0|3,0,0]=4 59 B7R1.4 N[C@H]1CCSC1=O AC-80263 [0,0,0,1,0,0|3,0,0]=4 60 B7R1.4 O=C1CCC=C1O AC-79761 [0,0,0,1,0,0|2,0,1]=4 61 B7R1.4 O=C1CCNC1=O AC-91977 [0,0,0,1,0,0|3,0,0]=4 62 B7R1.4 O=C1NCCC1Br AC-76660 [0,0,0,1,0,0|3,0,0]=4 63 B7R1.4 O=C1NCC[C@@H]1O AC-67994 [0,0,0,1,0,0|3,0,0]=4 64 B7R1.4 O=C1NCC[C@H]1O AC-75580 [0,0,0,1,0,0|3,0,0]=4 65 B7R1.22 N=C(NO)C1CC1 AC-37965 [0,0,0,1,0,0|3,0,0]=4 66 B4R0.1 CC(=O)NN AC-24092 [2,0,0,0,0,0|2,0,0]=4 67 B4R0.1 CC(=O)NO AC-13161 [2,0,0,0,0,0|2,0,0]=4 68 B4R0.1 NC(=O)CBr AC-13350 [2,0,0,0,0,0|2,0,0]=4 69 B4R0.1 NCC(N)=O AC-16143 [2,0,0,0,0,0|2,0,0]=4 70 B4R0.1 NCC(N)=O AC-65789 [2,0,0,0,0,0|2,0,0]=4 71 B4R0.1 O=C(O)CO AC-77042 [2,0,0,0,0,0|1,1,0]=4 72 B4R0.2 CSCCN AC-56055 [2,0,0,0,0,0|1,0,0]=3 73 B6R0.2 C[C@@H](O)CC(=O)O AC-81110 [1,1,0,0,0,0|0,1,0]=3 74 B6R0.2 C[C@@H](O)CC(=O)[O-] AC-77270 [1,1,0,0,0,0|0,1,0]=3 75 B6R0.2 C[C@H](N)CC(=O)O AC-77208 [1,1,0,0,0,0|0,1,0]=3 76 B6R0.3 CCC(N)C(=O)O AC-12704 [1,1,0,0,0,0|0,1,0]=3 77 B6R0.3 CCC(N)C(=O)O AC-22541 [1,1,0,0,0,0|0,1,0]=3 78 B6R0.3 CCC(N)C(N)=O AC-12931 [1,1,0,0,0,0|1,0,0]=3 79 B6R0.3 CC[C@@H](N)C(=O)O AC-12705 [1,1,0,0,0,0|0,1,0]=3 80 B6R0.3 NC(CS)C(=O)O AC-27295 [1,1,0,0,0,0|1,1,0]=4 81 B6R0.3 NC[C@@H](N)C(=O)O AC-80565 [1,1,0,0,0,0|1,1,0]=4 82 B6R0.3 NC[C@H](N)C(=O)O AC-32482 [1,1,0,0,0,0|1,1,0]=4 83 B6R0.3 NC[C@H](O)C(=O)O AC-15048 [1,1,0,0,0,0|1,1,0]=4 84 B6R0.4 CC(=O)CCCBr AC-77239 [1,1,0,0,0,0|0,0,0]=2 85 B6R0.4 CC(=O)CCCCl AC-35279 [1,1,0,0,0,0|0,0,0]=2 86 B6R0.4 CN(C)CCCCl AC-23395 [1,1,0,0,0,0|2,0,0]=4 87 B6R0.4 CNCCC(C)=O AC-83135 [1,1,0,0,0,0|0,0,0]=2 88 B6R0.4 N#CCCC(=O)O AC-79263 [1,1,0,0,0,0|0,1,1]=4 89 B6R0.4 NCCCC(=O)O AC-22540 [1,1,0,0,0,0|0,1,0]=3 90 B6R0.4 O=C(O)CCCBr AC-34557 [1,1,0,0,0,0|0,1,0]=3 91 B6R0.5 CS(=O)(=O)CCN AC-43009 [1,1,0,0,0,0|2,0,0]=4 92 B8R0.2 COC(=O)C(N)C(C)O AC-76945 [0,2,0,0,0,0|0,1,0]=3 93 B8R0.2 COC(=O)[C@H](N)C(C)C AC-32040 [0,2,0,0,0,0|0,1,0]=3 94 B8R0.5 CC(C)OC(=O)OCCl AC-20165 [0,2,0,0,0,0|1,1,0]=4 95 B8R0.5 CCOC(=O)CC(C)O AC-66322 [0,2,0,0,0,0|0,1,0]=3 96 B8R0.5 CCOC(=O)C[C@@H](C)O AC-15114 [0,2,0,0,0,0|0,1,0]=3 97 B8R0.5 CCOC(=O)C[C@H](C)O AC-66323 [0,2,0,0,0,0|0,1,0]=3 98 B8R0.5 CCOC(=O)\C=C(\C)N AC-76862 [0,2,0,0,0,0|2,0,0]=4 99 B8R0.19 CCC(=O)CC(=O)OC AC-13288 [0,2,0,0,0,0|0,1,0]=3 100 B8R0.19 COC(=O)C[C@@H](O)CCl AC-20202 [0,2,0,0,0,0|0,1,0]=3 101 B8R0.1 CCOC(=O)\C=C\CBr AC-13666 [0,2,0,0,0,0|2,0,0]=4 102 B8R0.3 CCOC(=O)C(Br)CBr AC-59977 [0,2,0,0,0,0|1,1,0]=4 103 B8R0.3 CCOC(=O)C(C)C#N AC-72283 [0,2,0,0,0,0|2,0,0]=4 104 B8R0.3 CCOC(=O)C(N)CO AC-86715 [0,2,0,0,0,0|1,1,0]=4 105 B8R0.3 CCOC(=O)[C@@H](N)CO AC-61555 [0,2,0,0,0,0|1,1,0]=4 106 B8R0.3 CCOC(=O)[C@@H](N)CS AC-17047 [0,2,0,0,0,0|1,1,0]=4 107 B8R0.3 CCOC(=O)[C@H](N)CO AC-76786 [0,2,0,0,0,0|1,1,0]=4 108 B8R0.6 CCCCNC(=O)CCl AC-57945 [0,2,0,0,0,0|2,0,0]=4 109 B8R0.9 C=CC(=O)OCC(C)O AC-77115 [0,2,0,0,0,0|1,0,1]=4 110 B8R0.14 CCOC(=O)C(C)(C)O AC-74161 [0,2,0,0,0,0|2,0,0]=4 111 B6R1.2 BrC1=CCCC1 AC-37861 [1,0,0,1,0,0|1,0,1]=4 112 B6R1.2 CC1=NCCC1 AC-76756 [1,0,0,1,0,0|1,0,0]=3 113 B6R1.2 CC1=NCCO1 AC-82993 [1,0,0,1,0,0|1,0,1]=4 114 B6R1.2 CC1CCCN1 AC-44592 [1,0,0,1,0,0|1,0,1]=4 115 B6R1.2 C[C@@H]1CCCN1 AC-64584 [1,0,0,1,0,0|1,0,1]=4 116 B6R1.2 C[C@@H]1CCCN1 AC-75579 [1,0,0,1,0,0|1,0,1]=4 117 B6R1.2 C[C@H]1CCCN1 AC-64583 [1,0,0,1,0,0|1,0,1]=4 118 B6R1.2 N=C1CCCN1 AC-43001 [1,0,0,1,0,0|2,0,0]=4 119 B6R1.2 NC1=NCCC1 AC-76909 [1,0,0,1,0,0|2,0,0]=4 120 B6R1.2 NC1=NCCS1 AC-16812 [1,0,0,1,0,0|2,0,0]=4 121 B6R1.2 NN1CCCC1 AC-16612 [1,0,0,1,0,0|2,0,0]=4 122 B6R1.2 NN1CCCC1 AC-32619 [1,0,0,1,0,0|2,0,0]=4 123 B6R1.2 O=C1CC=CC1 AC-37498 [1,0,0,1,0,0|0,0,2]=4 124 B6R1.2 O=C1CCNC1 AC-22267 [1,0,0,1,0,0|1,0,0]=3 125 B6R1.2 O=C1CCOC1 AC-39237 [1,0,0,1,0,0|1,0,0]=3 126 B6R1.2 O=C1CNCN1 AC-81166 [1,0,0,1,0,0|2,0,0]=4 127 B6R1.2 O=C1NCCN1 AC-81031 [1,0,0,1,0,0|2,0,0]=4 128 B6R1.2 O=C1NCCS1 AC-76781 [1,0,0,1,0,0|1,0,0]=3 129 B6R1.2 O=C1OCCO1 AC-76852 [1,0,0,1,0,0|1,1,0]=4 130 B6R1.10 CC1(N)CCC1 AC-58834 [1,0,0,1,0,0|1,0,1]=4 131 B6R1.11 CC(N)C1CC1 AC-43331 [1,0,0,1,0,0|1,0,1]=4 132 B6R1.11 CC(N)C1CC1 AC-72240 [1,0,0,1,0,0|1,0,1]=4 133 B6R1.11 NC(=O)C1CC1 AC-35037 [1,0,0,1,0,0|1,0,0]=3 134 B6R1.11 O=C(O)C1CC1 AC-37568 [1,0,0,1,0,0|0,1,0]=3 135 B6R1.1 C1CSCCN1 AC-86787 [1,0,0,1,0,0|1,0,1]=4 136 B8R1.1 CCN1CCC(=O)C1 AC-96216 [0,1,0,1,0,0|1,0,0]=3 137 B8R1.1 O=C1CC[C@@H](CO)N1 AC-45768 [0,1,0,1,0,0|2,0,0]=4 138 B8R1.1 O=C1CC[C@H](CBr)N1 AC-25275 [0,1,0,1,0,0|2,0,0]=4 139 B8R1.1 O=C1CC[C@H](CO)N1 AC-45740 [0,1,0,1,0,0|2,0,0]=4 140 B8R1.4 CC1CC(=O)CCO1 AC-40753 [0,1,0,1,0,0|1,0,0]=3 141 B8R1.4 CC1CCOC(=O)C1 AC-96315 [0,1,0,1,0,0|0,1,0]=3 142 B8R1.4 CC1CNCC(=O)N1 AC-41442 [0,1,0,1,0,0|2,0,0]=4 143 B8R1.4 CN1CCCC(=O)C1 AC-84159 [0,1,0,1,0,0|1,0,0]=3 144 B8R1.4 CN1CCOC(=O)C1 AC-91581 [0,1,0,1,0,0|1,1,0]=4 145 B8R1.4 NC1=CC(=O)CCC1 AC-32464 [0,1,0,1,0,0|1,0,1]=4 146 B8R1.4 NC1CCNC(=O)C1 AC-24692 [0,1,0,1,0,0|1,0,0]=3 147 B8R1.4 NC1CCNC(=O)C1 AC-80838 [0,1,0,1,0,0|1,0,0]=3 148 B8R1.4 O=C1CC(O)CCN1 AC-65410 [0,1,0,1,0,0|1,0,0]=3 149 B8R1.4 O=C1CCCC(=O)O1 AC-61739 [0,1,0,1,0,0|0,1,1]=4 150 B8R1.18 CN1CC(N)CC1=O AC-90779 [0,1,0,1,0,0|1,0,0]=3 151 B8R1.40 O=C(CCl)NC1CC1 AC-48285 [0,1,0,1,0,0|2,0,0]=4 152 B8R1.51 CC1(C)CCC(=O)N1 AC-44987 [0,1,0,1,0,0|2,0,0]=4 153 B8R1.51 CC1(C)CCC(=O)O1 AC-83139 [0,1,0,1,0,0|2,0,0]=4 154 B8R1.2 O=CC1=CCCOC1 AC-28131 [0,1,0,1,0,0|2,0,0]=4 155 B8R1.2 O=CC1CCCCO1 AC-93347 [0,1,0,1,0,0|0,1,1]=4 156 B8R1.3 CC1=NNC(=O)CC1 AC-23292 [0,1,0,1,0,0|2,0,0]=4 157 B8R1.3 CN1CCC(=O)CC1 AC-40555 [0,1,0,1,0,0|1,0,0]=3 158 B8R1.3 O=C1CCC(=O)CC1 AC-15275 [0,1,0,1,0,0|1,0,1]=4 159 B8R1.3 O=C1CCC(=O)NC1 AC-63916 [0,1,0,1,0,0|1,0,1]=4 160 B8R1.3 O=C1CCC(O)CC1 AC-37934 [0,1,0,1,0,0|1,0,0]=3 161 B8R1.5 CC1=NCCCN1C AC-83111 [0,1,0,1,0,0|2,0,0]=4 162 B8R1.5 CC1COCCC1=O AC-71971 [0,1,0,1,0,0|1,0,0]=3 163 B8R1.5 CC1CSCCC1=O AC-88127 [0,1,0,1,0,0|1,0,0]=3 164 B8R1.5 CC1NCCCC1=O AC-91259 [0,1,0,1,0,0|1,0,0]=3 165 B8R1.5 CC1NCCNC1=O AC-43070 [0,1,0,1,0,0|2,0,0]=4 166 B8R1.5 CN1CCNCC1=O AC-31378 [0,1,0,1,0,0|1,0,0]=3 167 B8R1.5 O=C1CCCCC1=O AC-75172 [0,1,0,1,0,0|1,0,0]=3 168 B8R1.5 O=C1CCOCC1F AC-40744 [0,1,0,1,0,0|2,0,0]=4 169 B8R1.5 O=C1NCCCC1Br AC-80099 [0,1,0,1,0,0|1,0,0]=3 170 B8R1.5 O=C1NCCCC1O AC-80821 [0,1,0,1,0,0|1,0,0]=3 171 B8R1.5 O=C1OCCCC1Br AC-91315 [0,1,0,1,0,0|0,1,0]=3 172 B8R1.5 O=C1OCCCC1O AC-79460 [0,1,0,1,0,0|0,1,0]=3 173 B8R1.22 O=C1CCCCNC1 AC-81448 [0,1,0,1,0,0|1,0,0]=3 174 B8R1.38 COC(=O)C1CCC1 AC-56656 [0,1,0,1,0,0|0,1,0]=3 175 B8R1.38 COC(=O)C1CNC1 AC-95063 [0,1,0,1,0,0|0,1,0]=3 176 B8R1.38 O=C(CBr)N1CCC1 AC-39096 [0,1,0,1,0,0|2,0,0]=4 177 B8R1.50 CC1CCC(=O)C1=O AC-13924 [0,1,0,1,0,0|1,0,1]=4 178 B8R1.50 CC1CCC(=O)C1=O AC-95075 [0,1,0,1,0,0|1,0,1]=4 179 B8R1.50 CC1CCC(=O)C1=O AC-96413 [0,1,0,1,0,0|1,0,1]=4 180 B8R1.50 CC1CCN(C)C1=O AC-28575 [0,1,0,1,0,0|1,0,0]=3 181 B8R1.50 CN1C(=O)CCC1=O AC-86785 [0,1,0,1,0,0|1,0,1]=4 182 B8R1.50 CN1CCN(C)C1=O AC-14067 [0,1,0,1,0,0|2,0,0]=4 183 B8R1.50 NC1CCN(O)C1=O AC-87345 [0,1,0,1,0,0|2,0,0]=4 184 B8R1.19 CC1(C)CCCC1=O AC-92916 [0,1,0,1,0,0|1,0,0]=3 185 B8R1.19 CC1(C)CCNC1=O AC-76535 [0,1,0,1,0,0|2,0,0]=4 186 B8R1.11 N#CC1CCCC1=O AC-17940 [0,1,0,1,0,0|1,0,1]=4 187 B8R1.39 COC(=O)C1(Br)CC1 AC-77050 [0,1,0,1,0,0|0,1,0]=3 188 B8R1.39 O=C(CCl)C1(Cl)CC1 AC-90821 [0,1,0,1,0,0|2,0,0]=4