0 B4R0.1 C=C(Br)CN CS-0106981 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.1 CN(N)C=O CS-0084846 [0,0,0,0,0,0|2,0,2]=4 2 B4R0.1 N=C(N)CCl CS-M2910 [0,0,0,0,0,0|3,0,1]=4 3 B4R0.1 N=C(N)CN CS-0112951 [0,0,0,0,0,0|3,0,1]=4 4 B4R0.1 NC(=S)CO CS-0091320 [0,0,0,0,0,0|1,1,1]=3 5 B4R0.1 [C@H](C)(N)CO CS-W011362 [0,0,0,0,0,0|1,0,0]=1 6 B3R0.1 NCCO CS-0088236 [1,0,0,0,0,0|1,0,0]=2 7 B3R0.2 CN(C)N CS-M2143 [1,0,0,0,0,0|2,0,0]=3 8 B3R0.2 FC(Br)Br CS-0037693 [1,0,0,0,0,0|3,0,0]=4 9 B5R0.1 CC(=O)NCO CS-0061075 [0,1,0,0,0,0|0,0,2]=3 10 B5R0.1 CC(=O)\C=N\O CS-0039829 [0,1,0,0,0,0|0,0,3]=4 11 B5R0.1 CC(F)CCN CS-0106774 [0,1,0,0,0,0|2,0,0]=3 12 B5R0.1 CC(O)CCN CS-0113030 [0,1,0,0,0,0|1,0,0]=2 13 B5R0.1 CC(O)CCN CS-0113103 [0,1,0,0,0,0|1,0,0]=2 14 B5R0.1 CC(O)CNN CS-0035530 [0,1,0,0,0,0|1,0,0]=2 15 B5R0.1 CC(O)CNN CS-0036622 [0,1,0,0,0,0|1,0,0]=2 16 B5R0.1 C[C@@H](O)CCN CS-0113026 [0,1,0,0,0,0|1,0,0]=2 17 B5R0.1 C[C@@H](O)CCN CS-0113150 [0,1,0,0,0,0|1,0,0]=2 18 B5R0.1 C[C@H](N)CC#N CS-0099938 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.1 C[C@H](O)CCN CS-0113024 [0,1,0,0,0,0|1,0,0]=2 20 B5R0.1 C[C@H](O)CCN CS-0113046 [0,1,0,0,0,0|1,0,0]=2 21 B5R0.1 NCCC(F)F CS-0112580 [0,1,0,0,0,0|3,0,0]=4 22 B5R0.1 O=C(O)CCF CS-0038385 [0,1,0,0,0,0|2,0,1]=4 23 B5R0.3 C=CC(N)CO CS-0091316 [0,1,0,0,0,0|1,0,1]=3 24 B5R0.3 C=C[C@@H](N)CO CS-0089925 [0,1,0,0,0,0|1,0,1]=3 25 B5R0.3 C=C[C@@H](N)CO CS-0091315 [0,1,0,0,0,0|1,0,1]=3 26 B5R0.3 C=C[C@H](N)CO CS-0089895 [0,1,0,0,0,0|1,0,1]=3 27 B5R0.3 CCC(=O)CO CS-W005327 [0,1,0,0,0,0|0,0,2]=3 28 B5R0.3 CC[C@@H](O)CN CS-0096325 [0,1,0,0,0,0|1,0,0]=2 29 B5R0.3 CC[C@H](O)CN CS-0046763 [0,1,0,0,0,0|1,0,0]=2 30 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,1,0,0,0,0|0,0,0]=1 31 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,1,0,0,0,0|1,0,0]=2 32 B5R0.3 N=C(CO)NO CS-0091317 [0,1,0,0,0,0|1,0,1]=3 33 B5R0.3 NC(CO)CF CS-0091321 [0,1,0,0,0,0|1,0,0]=2 34 B5R0.3 NC(CO)CS CS-0089528 [0,1,0,0,0,0|1,0,0]=2 35 B5R0.3 NCC(N)CO CS-0091318 [0,1,0,0,0,0|1,0,0]=2 36 B5R0.3 NC[C@@H](N)CO CS-0091319 [0,1,0,0,0,0|1,0,0]=2 37 B5R0.3 NC[C@H](F)CO CS-0053431 [0,1,0,0,0,0|1,0,0]=2 38 B5R0.3 N[C@H](CO)CS CS-0089529 [0,1,0,0,0,0|1,0,0]=2 39 B5R0.4 CC(C)(F)CN CS-0060975 [0,1,0,0,0,0|2,0,0]=3 40 B5R0.5 CC(N)C(N)=O CS-0036447 [0,1,0,0,0,0|1,0,2]=4 41 B5R0.5 CC(O)C(=N)N CS-0037354 [0,1,0,0,0,0|1,0,1]=3 42 B5R0.5 O=C(O)C(=O)O CS-0089651 [0,1,0,0,0,0|1,0,2]=4 43 B5R1.2 BrC1CNC1 CS-0051440 [0,0,0,1,0,0|2,0,0]=3 44 B5R1.2 CC1CCN1 CS-0051841 [0,0,0,1,0,0|2,0,0]=3 45 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,1,0,0|2,0,0]=3 46 B5R1.2 C[C@@H]1CCN1 CS-0100346 [0,0,0,1,0,0|2,0,0]=3 47 B5R1.2 ClC1CNC1 CS-0051403 [0,0,0,1,0,0|2,0,0]=3 48 B5R1.2 FC1CNC1 CS-0102321 [0,0,0,1,0,0|2,0,0]=3 49 B5R1.2 NC1CSC1 CS-0045517 [0,0,0,1,0,0|1,1,0]=3 50 B5R1.2 OC1CSC1 CS-0045447 [0,0,0,1,0,0|0,1,0]=2 51 B5R1.2 SC1CNC1 CS-0049912 [0,0,0,1,0,0|1,1,0]=3 52 B5R1.2 SC1COC1 CS-0048763 [0,0,0,1,0,0|0,1,0]=2 53 B5R1.3 OCC1CO1 CS-0016001 [0,0,0,1,0,0|0,0,0]=1 54 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [0,0,0,1,0,0|2,0,0]=3 55 B2R0.1 O[Pd]O CS-0100451 [2,0,0,0,0,0|1,0,0]=3 56 B4R0.2 C#CCCI CS-0088596 [1,1,0,0,0,0|1,0,1]=4 57 B4R0.2 CCCON CS-0106185 [1,1,0,0,0,0|0,0,0]=2 58 B4R0.2 CNCCF CS-0103514 [1,1,0,0,0,0|1,0,0]=3 59 B4R0.2 CNCCN CS-0108722 [1,1,0,0,0,0|1,0,0]=3 60 B4R0.2 COCCBr CS-0015336 [1,1,0,0,0,0|1,0,0]=3 61 B4R0.2 NCCCF CS-0088913 [1,1,0,0,0,0|1,0,0]=3 62 B6R0.1 C#CCC(O)CO CS-0088972 [0,2,0,0,0,0|0,0,0]=2 63 B6R0.1 C=CCC(N)CO CS-0091325 [0,2,0,0,0,0|1,0,0]=3 64 B6R0.1 CCCC(N)CO CS-0089892 [0,2,0,0,0,0|1,0,0]=3 65 B6R0.1 CCC[C@@H](N)CO CS-0088083 [0,2,0,0,0,0|1,0,0]=3 66 B6R0.1 COCC(N)CO CS-0091346 [0,2,0,0,0,0|1,0,0]=3 67 B6R0.1 COCC(N)CO CS-0106469 [0,2,0,0,0,0|1,0,0]=3 68 B6R0.1 COCC(O)CN CS-0106474 [0,2,0,0,0,0|0,0,0]=2 69 B6R0.1 COC[C@@H](N)CO CS-0091344 [0,2,0,0,0,0|1,0,0]=3 70 B6R0.1 COC[C@H](N)CO CS-0091345 [0,2,0,0,0,0|1,0,0]=3 71 B6R0.1 NC(CO)CCO CS-0091333 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.1 N[C@@H](CO)CCO CS-0091341 [0,2,0,0,0,0|1,0,0]=3 73 B6R0.1 N[C@H](CO)CCO CS-0091335 [0,2,0,0,0,0|1,0,0]=3 74 B6R0.2 CC(N)CN(C)C CS-B1299 [0,2,0,0,0,0|2,0,0]=4 75 B6R0.3 CC(O)C(N)CO CS-0091337 [0,2,0,0,0,0|0,0,0]=2 76 B6R0.3 CN(C)C(=O)CO CS-0077250 [0,2,0,0,0,0|0,0,2]=4 77 B6R0.3 C[C@@H](CN)C(=O)O CS-0059829 [0,2,0,0,0,0|1,0,0]=3 78 B6R0.3 C[C@@H](O)[C@@H](N)CO CS-0091338 [0,2,0,0,0,0|0,0,0]=2 79 B6R0.3 C[C@H](CN)C(=O)O CS-0059837 [0,2,0,0,0,0|1,0,0]=3 80 B6R0.3 C[C@H](O)[C@H](N)CO CS-0091343 [0,2,0,0,0,0|0,0,0]=2 81 B6R0.3 NC(=O)C(N)CO CS-0091330 [0,2,0,0,0,0|1,0,1]=4 82 B6R0.3 NC(=O)[C@@H](N)CO CS-0091329 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.3 NC(=O)[C@H](N)CO CS-0091331 [0,2,0,0,0,0|1,0,1]=4 84 B6R0.3 NCC(F)C(=O)O CS-W011291 [0,2,0,0,0,0|1,0,1]=4 85 B6R0.3 NC[C@@H](O)C(=O)O CS-0105320 [0,2,0,0,0,0|0,0,1]=3 86 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,2,0,0,0,0|1,0,1]=4 87 B6R0.4 CC(F)CCCN CS-0104689 [0,2,0,0,0,0|2,0,0]=4 88 B6R0.5 CC(C)(O)CCBr CS-W018816 [0,2,0,0,0,0|1,0,0]=3 89 B6R0.5 CC(C)(O)CON CS-0091973 [0,2,0,0,0,0|0,0,0]=2 90 B6R0.5 CC(C)(O)CON CS-0091974 [0,2,0,0,0,0|0,0,0]=2 91 B6R0.5 CNCC(C)(C)O CS-0038213 [0,2,0,0,0,0|1,0,0]=3 92 B6R0.5 CS(=O)(=O)CCO CS-0059238 [0,2,0,0,0,0|1,0,1]=4 93 B6R0.5 CSCC(C)(C)N CS-0107363 [0,2,0,0,0,0|1,1,0]=4 94 B6R0.5 NOCC(F)(F)F CS-0106188 [0,2,0,0,0,0|2,0,0]=4 95 B6R0.8 C=CC(C)(N)CO CS-0091324 [0,2,0,0,0,0|1,0,0]=3 96 B6R0.8 CC(N)(C#N)CO CS-0091322 [0,2,0,0,0,0|1,0,0]=3 97 B6R0.8 CCC(C)(N)CO CS-0091232 [0,2,0,0,0,0|1,0,0]=3 98 B6R0.8 COC(C)(C)ON CS-0108444 [0,2,0,0,0,0|2,0,0]=4 99 B6R0.8 NCC(F)(F)CN CS-0111734 [0,2,0,0,0,0|2,0,0]=4 100 B6R0.8 NCC(F)(F)CO CS-D0487 [0,2,0,0,0,0|1,0,0]=3 101 B6R0.9 CCC(CBr)CBr CS-0059688 [0,2,0,0,0,0|2,0,0]=4 102 B6R0.9 OCC(CO)CO CS-W005889 [0,2,0,0,0,0|0,0,0]=2 103 B6R0.7 CC(C)(S)C(=O)O CS-0113145 [0,2,0,0,0,0|0,1,1]=4 104 B6R0.7 C[C@@H](N)C(F)(F)F CS-0099939 [0,2,0,0,0,0|2,0,0]=4 105 B6R1.2 CC1CCCN1 CS-0051829 [0,1,0,1,0,0|2,0,0]=4 106 B6R1.2 NC1CCSC1 CS-0046717 [0,1,0,1,0,0|1,1,0]=4 107 B6R1.2 N[C@H]1CCOC1 CS-0053253 [0,1,0,1,0,0|1,0,0]=3 108 B6R1.2 OC1CCNC1 CS-W002985 [0,1,0,1,0,0|1,0,0]=3 109 B6R1.2 O[C@@H]1CNOC1 CS-0060090 [0,1,0,1,0,0|0,0,0]=2 110 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,1,0,1,0,0|0,0,0]=2 111 B6R1.3 ICCC1CC1 CS-0012702 [0,1,0,1,0,0|2,0,0]=4 112 B6R1.3 NNCC1CC1 CS-0053098 [0,1,0,1,0,0|2,0,0]=4 113 B6R1.5 CC1CC(=O)N1 CS-0046688 [0,1,0,1,0,0|1,0,1]=4 114 B6R1.5 CN1CC(N)C1 CS-0045520 [0,1,0,1,0,0|2,0,0]=4 115 B6R1.5 C[C@H]1C[C@@H](N)C1 CS-0049698 [0,1,0,1,0,0|2,0,0]=4 116 B6R1.5 NC1CC(N)C1 CS-0049638 [0,1,0,1,0,0|2,0,0]=4 117 B6R1.5 NC1CC(O)C1 CS-W020372 [0,1,0,1,0,0|1,0,0]=3 118 B6R1.5 NN1CC(O)C1 CS-0052640 [0,1,0,1,0,0|1,0,0]=3 119 B6R1.5 N[C@H]1C[C@@H](F)C1 CS-0049708 [0,1,0,1,0,0|2,0,0]=4 120 B6R1.5 N[C@H]1C[C@@H](N)C1 CS-0049755 [0,1,0,1,0,0|2,0,0]=4 121 B6R1.5 N[C@H]1C[C@H](F)C1 CS-0047786 [0,1,0,1,0,0|2,0,0]=4 122 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047838 [0,1,0,1,0,0|2,0,0]=4 123 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047839 [0,1,0,1,0,0|2,0,0]=4 124 B6R1.5 N[C@H]1C[C@H](O)C1 CS-0047791 [0,1,0,1,0,0|1,0,0]=3 125 B6R1.5 O=C1CC(Br)C1 CS-0040508 [0,1,0,1,0,0|1,0,1]=4 126 B6R1.5 OC1CC(O)C1 CS-0049637 [0,1,0,1,0,0|0,0,0]=2 127 B6R1.5 O[C@H]1C[C@@H](F)C1 CS-0049706 [0,1,0,1,0,0|1,0,0]=3 128 B6R1.5 O[C@H]1C[C@H](F)C1 CS-0047784 [0,1,0,1,0,0|1,0,0]=3 129 B6R1.5 O[C@H]1C[C@H](O)C1 CS-0056268 [0,1,0,1,0,0|0,0,0]=2 130 B6R1.8 COC1CC1N CS-0096341 [0,1,0,1,0,0|1,0,0]=3 131 B6R1.8 CO[C@@H]1C[C@H]1N CS-0081493 [0,1,0,1,0,0|1,0,0]=3 132 B6R1.9 CC1(C)CC1O CS-0081490 [0,1,0,1,0,0|1,0,0]=3 133 B6R1.9 CC1CC1(C)O CS-0098175 [0,1,0,1,0,0|1,0,0]=3 134 B6R1.9 NC1CC1(F)F CS-W000385 [0,1,0,1,0,0|2,0,0]=4 135 B6R1.10 CC1(F)CNC1 CS-0051364 [0,1,0,1,0,0|2,0,0]=4 136 B6R1.10 CC1(N)CCC1 CS-0089780 [0,1,0,1,0,0|2,0,0]=4 137 B6R1.10 CC1(N)CNC1 CS-0051248 [0,1,0,1,0,0|2,0,0]=4 138 B6R1.10 CC1(N)COC1 CS-0045507 [0,1,0,1,0,0|1,0,0]=3 139 B6R1.10 CC1(N)CSC1 CS-0045441 [0,1,0,1,0,0|1,1,0]=4 140 B6R1.10 CC1(O)CSC1 CS-0051237 [0,1,0,1,0,0|0,1,0]=3 141 B6R1.10 FC1(F)CNC1 CS-0102322 [0,1,0,1,0,0|2,0,0]=4 142 B6R1.11 CC(N)C1CC1 CS-0099739 [0,1,0,1,0,0|2,0,0]=4 143 B6R1.11 CC(N)C1CC1 CS-0112917 [0,1,0,1,0,0|2,0,0]=4 144 B6R1.11 O=C(O)[C@@H]1CN1 CS-0111707 [0,1,0,1,0,0|1,0,1]=4 145 B6R1.4 CC1CNC1=O CS-0046512 [0,1,0,1,0,0|1,0,1]=4 146 B6R1.4 CC1OCC1O CS-0051834 [0,1,0,1,0,0|0,0,0]=2 147 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,1,0,1,0,0|1,0,0]=3 148 B6R1.4 N[C@H]1CC[C@H]1O CS-0049745 [0,1,0,1,0,0|1,0,0]=3 149 B6R1.4 O=C1NCC1O CS-0112791 [0,1,0,1,0,0|0,0,2]=4 150 B6R1.6 BrCC1CCO1 CS-0045505 [0,1,0,1,0,0|1,0,0]=3 151 B6R1.6 C#CC1CNC1 CS-0102283 [0,1,0,1,0,0|2,0,0]=4 152 B6R1.6 CSC1CNC1 CS-0051673 [0,1,0,1,0,0|1,1,0]=4 153 B6R1.6 ClCC1COC1 CS-0051702 [0,1,0,1,0,0|1,0,0]=3 154 B6R1.6 FCC1CNC1 CS-0085106 [0,1,0,1,0,0|2,0,0]=4 155 B6R1.6 FCC1CNC1 CS-0102314 [0,1,0,1,0,0|2,0,0]=4 156 B6R1.6 ICC1CCC1 CS-0053096 [0,1,0,1,0,0|2,0,0]=4 157 B6R1.6 ICC1CCO1 CS-0052227 [0,1,0,1,0,0|1,0,0]=3 158 B6R1.6 ICC1COC1 CS-0045504 [0,1,0,1,0,0|1,0,0]=3 159 B6R1.6 NCC1CCN1 CS-0049914 [0,1,0,1,0,0|2,0,0]=4 160 B6R1.6 NCC1CCO1 CS-0048767 [0,1,0,1,0,0|1,0,0]=3 161 B6R1.6 NCC1CNC1 CS-0089832 [0,1,0,1,0,0|2,0,0]=4 162 B6R1.6 NCC1COC1 CS-W008698 [0,1,0,1,0,0|1,0,0]=3 163 B6R1.6 NCC1CSC1 CS-0045533 [0,1,0,1,0,0|1,1,0]=4 164 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,1,0,1,0,0|1,0,0]=3 165 B6R1.6 NC[C@H]1CCO1 CS-0102901 [0,1,0,1,0,0|1,0,0]=3 166 B6R1.6 O=CC1COC1 CS-0048764 [0,1,0,1,0,0|0,0,1]=3 167 B6R1.6 OCC1CCN1 CS-0049913 [0,1,0,1,0,0|1,0,0]=3 168 B6R1.6 OCC1CSC1 CS-0045518 [0,1,0,1,0,0|0,1,0]=3 169 B6R1.7 CC1(CO)CO1 CS-0089842 [0,1,0,1,0,0|0,0,0]=2 170 B6R1.7 C[C@@]1(CO)CO1 CS-0093325 [0,1,0,1,0,0|0,0,0]=2