0 B4R0.2 C#CCCI CS-0088596 [0,0,0,0,0,0|2,0,2]=4 1 B4R0.2 CCCON CS-0106185 [0,0,0,0,0,0|3,0,0]=3 2 B4R0.2 CNCCF CS-0103514 [0,0,0,0,0,0|3,0,0]=3 3 B4R0.2 CNCCN CS-0108722 [0,0,0,0,0,0|3,0,0]=3 4 B4R0.2 COCCBr CS-0015336 [0,0,0,0,0,0|3,0,0]=3 5 B4R0.2 NCCCF CS-0088913 [0,0,0,0,0,0|3,0,0]=3 6 B3R0.1 NCCO CS-0088236 [1,0,0,0,0,0|2,0,0]=3 7 B5R0.1 CC(=O)NCO CS-0061075 [0,1,0,0,0,0|2,0,1]=4 8 B5R0.1 CC(F)CCN CS-0106774 [0,1,0,0,0,0|2,0,0]=3 9 B5R0.1 CC(O)CCN CS-0113030 [0,1,0,0,0,0|2,0,0]=3 10 B5R0.1 CC(O)CCN CS-0113103 [0,1,0,0,0,0|2,0,0]=3 11 B5R0.1 CC(O)CNN CS-0035530 [0,1,0,0,0,0|3,0,0]=4 12 B5R0.1 CC(O)CNN CS-0036622 [0,1,0,0,0,0|3,0,0]=4 13 B5R0.1 CCCC(=N)N CS-W013544 [0,1,0,0,0,0|2,0,1]=4 14 B5R0.1 C[C@@H](O)CCN CS-0113026 [0,1,0,0,0,0|2,0,0]=3 15 B5R0.1 C[C@@H](O)CCN CS-0113150 [0,1,0,0,0,0|2,0,0]=3 16 B5R0.1 C[C@H](N)CC#N CS-0099938 [0,1,0,0,0,0|2,0,1]=4 17 B5R0.1 C[C@H](O)CCN CS-0113024 [0,1,0,0,0,0|2,0,0]=3 18 B5R0.1 C[C@H](O)CCN CS-0113046 [0,1,0,0,0,0|2,0,0]=3 19 B5R0.1 NCCC(F)F CS-0112580 [0,1,0,0,0,0|3,0,0]=4 20 B5R0.2 BrC\C=C\CBr CS-0005942 [0,1,0,0,0,0|2,0,1]=4 21 B5R0.2 C#CCCCI CS-0088561 [0,1,0,0,0,0|1,0,2]=4 22 B5R0.2 C#CCCCN CS-0038434 [0,1,0,0,0,0|1,0,2]=4 23 B5R0.2 CCCCON CS-0106180 [0,1,0,0,0,0|2,0,0]=3 24 B5R0.2 CCO\C=C\Br CS-0037281 [0,1,0,0,0,0|0,1,2]=4 25 B5R0.2 NCCCNN CS-0037551 [0,1,0,0,0,0|3,0,0]=4 26 B5R0.3 CCC(=O)CO CS-W005327 [0,1,0,0,0,0|2,0,0]=3 27 B5R0.3 CC[C@@H](O)CN CS-0096325 [0,1,0,0,0,0|2,0,0]=3 28 B5R0.3 CC[C@H](O)CN CS-0046763 [0,1,0,0,0,0|2,0,0]=3 29 B5R0.3 CNC(=S)NC CS-0071975 [0,1,0,0,0,0|3,0,0]=4 30 B5R0.3 CO[C@@H](C)CO CS-0096324 [0,1,0,0,0,0|3,0,0]=4 31 B5R0.3 C[C@@H](CO)CBr CS-0101486 [0,1,0,0,0,0|3,0,0]=4 32 B5R0.3 NC(CO)CF CS-0091321 [0,1,0,0,0,0|3,0,0]=4 33 B5R0.3 NC(CO)CS CS-0089528 [0,1,0,0,0,0|3,0,0]=4 34 B5R0.3 NCC(N)CO CS-0091318 [0,1,0,0,0,0|3,0,0]=4 35 B5R0.3 NC[C@@H](N)CO CS-0091319 [0,1,0,0,0,0|3,0,0]=4 36 B5R0.3 NC[C@H](F)CO CS-0053431 [0,1,0,0,0,0|3,0,0]=4 37 B5R0.3 N[C@H](CO)CS CS-0089529 [0,1,0,0,0,0|3,0,0]=4 38 B5R1.1 C1=CCNC1 CS-W016634 [0,0,0,1,0,0|1,0,2]=4 39 B5R1.2 BrC1CNC1 CS-0051440 [0,0,0,1,0,0|3,0,0]=4 40 B5R1.2 CC1CCN1 CS-0051841 [0,0,0,1,0,0|1,0,0]=2 41 B5R1.2 CC1CNC1 CS-W019342 [0,0,0,1,0,0|2,0,0]=3 42 B5R1.2 C[C@@H]1CCN1 CS-0100346 [0,0,0,1,0,0|1,0,0]=2 43 B5R1.2 ClC1CNC1 CS-0051403 [0,0,0,1,0,0|3,0,0]=4 44 B5R1.2 FC1CNC1 CS-0102321 [0,0,0,1,0,0|3,0,0]=4 45 B5R1.2 NC1CSC1 CS-0045517 [0,0,0,1,0,0|3,0,0]=4 46 B5R1.2 OC1CSC1 CS-0045447 [0,0,0,1,0,0|3,0,0]=4 47 B5R1.2 SC1CNC1 CS-0049912 [0,0,0,1,0,0|3,0,0]=4 48 B5R1.2 SC1COC1 CS-0048763 [0,0,0,1,0,0|3,0,0]=4 49 B5R1.3 OCC1CO1 CS-0016001 [0,0,0,1,0,0|3,0,0]=4 50 B5R1.4 N[C@@H]1C[C@@H]1F CS-0101187 [0,0,0,1,0,0|3,0,0]=4 51 B4R0.1 [C@H](C)(N)CO CS-W011362 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.1 CCCC(N)CO CS-0089892 [0,2,0,0,0,0|1,0,0]=3 53 B6R0.1 CCC[C@@H](N)CO CS-0088083 [0,2,0,0,0,0|1,0,0]=3 54 B6R0.1 CCNC(=O)CCl CS-0037573 [0,2,0,0,0,0|1,0,1]=4 55 B6R0.1 COCC(N)CO CS-0091346 [0,2,0,0,0,0|2,0,0]=4 56 B6R0.1 COCC(N)CO CS-0106469 [0,2,0,0,0,0|2,0,0]=4 57 B6R0.1 COCC(O)CN CS-0106474 [0,2,0,0,0,0|2,0,0]=4 58 B6R0.1 COC[C@@H](N)CO CS-0091344 [0,2,0,0,0,0|2,0,0]=4 59 B6R0.1 COC[C@H](N)CO CS-0091345 [0,2,0,0,0,0|2,0,0]=4 60 B6R0.1 NC(CO)CCO CS-0091333 [0,2,0,0,0,0|2,0,0]=4 61 B6R0.1 N[C@@H](CO)CCO CS-0091341 [0,2,0,0,0,0|2,0,0]=4 62 B6R0.1 N[C@H](CO)CCO CS-0091335 [0,2,0,0,0,0|2,0,0]=4 63 B6R0.2 CC(N)CN(C)C CS-B1299 [0,2,0,0,0,0|2,0,0]=4 64 B6R0.3 CC(O)C(N)CO CS-0091337 [0,2,0,0,0,0|2,0,0]=4 65 B6R0.3 C[C@@H](O)[C@@H](N)CO CS-0091338 [0,2,0,0,0,0|2,0,0]=4 66 B6R0.3 C[C@H](O)[C@H](N)CO CS-0091343 [0,2,0,0,0,0|2,0,0]=4 67 B6R0.3 [C@@H](C)(Cl)C(=O)OC CS-W011191 [0,2,0,0,0,0|2,0,0]=4 68 B6R0.4 CC(=O)CCCBr CS-0103669 [0,2,0,0,0,0|1,0,1]=4 69 B6R0.4 CC(=O)NCCBr CS-0112060 [0,2,0,0,0,0|1,0,1]=4 70 B6R0.4 CC(=O)SCC#N CS-0110092 [0,2,0,0,0,0|0,0,2]=4 71 B6R0.4 CC(F)CCCN CS-0104689 [0,2,0,0,0,0|1,0,0]=3 72 B6R0.4 CN(C)CCCCl CS-W004690 [0,2,0,0,0,0|2,0,0]=4 73 B6R0.4 NCCCC(F)F CS-0098955 [0,2,0,0,0,0|2,0,0]=4 74 B6R0.5 CC(C)(O)CCBr CS-W018816 [0,2,0,0,0,0|2,0,0]=4 75 B6R0.5 CNCC(C)(C)O CS-0038213 [0,2,0,0,0,0|2,0,0]=4 76 B6R0.5 CSCC(C)(C)N CS-0107363 [0,2,0,0,0,0|2,0,0]=4 77 B6R0.6 C#CCCCCI CS-0088557 [0,2,0,0,0,0|1,0,1]=4 78 B6R0.6 C#CCCCCN CS-0059697 [0,2,0,0,0,0|1,0,1]=4 79 B6R0.6 C#CCCCCN CS-0106594 [0,2,0,0,0,0|1,0,1]=4 80 B6R0.6 C#CCNCCBr CS-0069298 [0,2,0,0,0,0|1,0,1]=4 81 B6R0.8 CCC(C)(N)CO CS-0091232 [0,2,0,0,0,0|2,0,0]=4 82 B6R0.8 CCS(=O)(=O)CCl CS-0035589 [0,2,0,0,0,0|1,0,1]=4 83 B6R0.9 CCC(CBr)CBr CS-0059688 [0,2,0,0,0,0|2,0,0]=4 84 B6R1.2 CC1=NNCC1 CS-0104811 [0,1,0,1,0,0|1,0,1]=4 85 B6R1.2 CC1CCCN1 CS-0051829 [0,1,0,1,0,0|1,0,0]=3 86 B6R1.2 NC1CCSC1 CS-0046717 [0,1,0,1,0,0|0,0,0]=2 87 B6R1.2 N[C@H]1CCOC1 CS-0053253 [0,1,0,1,0,0|0,1,0]=3 88 B6R1.2 OC1CCNC1 CS-W002985 [0,1,0,1,0,0|1,0,0]=3 89 B6R1.2 O[C@@H]1CNOC1 CS-0060090 [0,1,0,1,0,0|1,1,0]=4 90 B6R1.2 O[C@H]1CNOC1 CS-0060087 [0,1,0,1,0,0|1,1,0]=4 91 B6R1.3 ICCC1CC1 CS-0012702 [0,1,0,1,0,0|1,0,0]=3 92 B6R1.3 NNCC1CC1 CS-0053098 [0,1,0,1,0,0|2,0,0]=4 93 B6R1.5 CC1CC(=O)N1 CS-0046688 [0,1,0,1,0,0|1,0,1]=4 94 B6R1.5 CN1CC(N)C1 CS-0045520 [0,1,0,1,0,0|2,0,0]=4 95 B6R1.5 C[C@H]1C[C@@H](N)C1 CS-0049698 [0,1,0,1,0,0|1,0,0]=3 96 B6R1.5 NC1CC(N)C1 CS-0049638 [0,1,0,1,0,0|2,0,0]=4 97 B6R1.5 NC1CC(O)C1 CS-W020372 [0,1,0,1,0,0|2,0,0]=4 98 B6R1.5 N[C@H]1C[C@@H](F)C1 CS-0049708 [0,1,0,1,0,0|2,0,0]=4 99 B6R1.5 N[C@H]1C[C@@H](N)C1 CS-0049755 [0,1,0,1,0,0|2,0,0]=4 100 B6R1.5 N[C@H]1C[C@H](F)C1 CS-0047786 [0,1,0,1,0,0|2,0,0]=4 101 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047838 [0,1,0,1,0,0|2,0,0]=4 102 B6R1.5 N[C@H]1C[C@H](N)C1 CS-0047839 [0,1,0,1,0,0|2,0,0]=4 103 B6R1.5 N[C@H]1C[C@H](O)C1 CS-0047791 [0,1,0,1,0,0|2,0,0]=4 104 B6R1.5 OC1CC(O)C1 CS-0049637 [0,1,0,1,0,0|2,0,0]=4 105 B6R1.5 O[C@H]1C[C@@H](F)C1 CS-0049706 [0,1,0,1,0,0|2,0,0]=4 106 B6R1.5 O[C@H]1C[C@H](F)C1 CS-0047784 [0,1,0,1,0,0|2,0,0]=4 107 B6R1.5 O[C@H]1C[C@H](O)C1 CS-0056268 [0,1,0,1,0,0|2,0,0]=4 108 B6R1.8 COC1CC1N CS-0096341 [0,1,0,1,0,0|2,0,0]=4 109 B6R1.8 CO[C@@H]1C[C@H]1N CS-0081493 [0,1,0,1,0,0|2,0,0]=4 110 B6R1.9 CC1(C)CC1O CS-0081490 [0,1,0,1,0,0|2,0,0]=4 111 B6R1.9 CC1CC1(C)O CS-0098175 [0,1,0,1,0,0|1,0,0]=3 112 B6R1.10 CC1(F)CNC1 CS-0051364 [0,1,0,1,0,0|2,0,0]=4 113 B6R1.10 CC1(N)CCC1 CS-0089780 [0,1,0,1,0,0|1,0,0]=3 114 B6R1.10 CC1(N)CNC1 CS-0051248 [0,1,0,1,0,0|2,0,0]=4 115 B6R1.10 CC1(N)COC1 CS-0045507 [0,1,0,1,0,0|2,0,0]=4 116 B6R1.10 CC1(N)CSC1 CS-0045441 [0,1,0,1,0,0|2,0,0]=4 117 B6R1.10 CC1(O)CSC1 CS-0051237 [0,1,0,1,0,0|2,0,0]=4 118 B6R1.11 CC(N)C1CC1 CS-0099739 [0,1,0,1,0,0|1,0,0]=3 119 B6R1.11 CC(N)C1CC1 CS-0112917 [0,1,0,1,0,0|1,0,0]=3 120 B6R1.4 CC1CNC1=O CS-0046512 [0,1,0,1,0,0|2,0,0]=4 121 B6R1.4 CC1OCC1O CS-0051834 [0,1,0,1,0,0|0,1,0]=3 122 B6R1.4 N[C@@H]1CC[C@H]1O CS-0045479 [0,1,0,1,0,0|2,0,0]=4 123 B6R1.4 N[C@H]1CC[C@H]1O CS-0049745 [0,1,0,1,0,0|2,0,0]=4 124 B6R1.6 BrCC1CCO1 CS-0045505 [0,1,0,1,0,0|0,1,0]=3 125 B6R1.6 CSC1CNC1 CS-0051673 [0,1,0,1,0,0|2,0,0]=4 126 B6R1.6 ClCC1COC1 CS-0051702 [0,1,0,1,0,0|2,0,0]=4 127 B6R1.6 FCC1CNC1 CS-0085106 [0,1,0,1,0,0|2,0,0]=4 128 B6R1.6 FCC1CNC1 CS-0102314 [0,1,0,1,0,0|2,0,0]=4 129 B6R1.6 ICC1CCC1 CS-0053096 [0,1,0,1,0,0|1,0,0]=3 130 B6R1.6 ICC1CCO1 CS-0052227 [0,1,0,1,0,0|0,1,0]=3 131 B6R1.6 ICC1COC1 CS-0045504 [0,1,0,1,0,0|2,0,0]=4 132 B6R1.6 N#C[C@@H]1CCN1 CS-0049776 [0,1,0,1,0,0|1,0,1]=4 133 B6R1.6 NCC1CCN1 CS-0049914 [0,1,0,1,0,0|1,0,0]=3 134 B6R1.6 NCC1CCO1 CS-0048767 [0,1,0,1,0,0|0,1,0]=3 135 B6R1.6 NCC1CNC1 CS-0089832 [0,1,0,1,0,0|2,0,0]=4 136 B6R1.6 NCC1COC1 CS-W008698 [0,1,0,1,0,0|2,0,0]=4 137 B6R1.6 NCC1CSC1 CS-0045533 [0,1,0,1,0,0|2,0,0]=4 138 B6R1.6 NC[C@@H]1CCO1 CS-0100100 [0,1,0,1,0,0|0,1,0]=3 139 B6R1.6 NC[C@H]1CCO1 CS-0102901 [0,1,0,1,0,0|0,1,0]=3 140 B6R1.6 OCC1CCN1 CS-0049913 [0,1,0,1,0,0|1,0,0]=3 141 B6R1.6 OCC1CSC1 CS-0045518 [0,1,0,1,0,0|2,0,0]=4