0 B5R0.2 C#CCCNC CS-0891238 [0,0,0,0,0,0|2,0,1]=3 1 B5R0.2 C#CCCNN CS-0905046 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.2 C=CCCCO CS-W011355 [0,0,0,0,0,0|0,0,2]=2 3 B5R0.2 N#CCCCN CS-0343605 [0,0,0,0,0,0|2,0,1]=3 4 B5R0.2 N#CCCCO CS-W001264 [0,0,0,0,0,0|1,0,1]=2 5 B5R0.2 [N-]=[N+]=NCCO CS-0148425 [0,0,0,0,0,0|3,0,0]=3 6 B4R0.2 BrCOCBr CS-0188325 [1,0,0,0,0,0|3,0,0]=4 7 B4R0.2 NNCCO CS-W007663 [1,0,0,0,0,0|2,0,0]=3 8 B4R0.2 OCC#CI CS-0375727 [1,0,0,0,0,0|1,0,2]=4 9 B6R0.1 CCC(=O)CC#N CS-0084645 [0,1,0,0,0,0|1,0,2]=4 10 B6R0.1 CCC(=O)CSC CS-0434652 [0,1,0,0,0,0|2,0,1]=4 11 B6R0.1 CCC(O)CC#N CS-0258400 [0,1,0,0,0,0|1,0,1]=3 12 B6R0.1 CCC(O)CNC CS-0225521 [0,1,0,0,0,0|2,0,0]=3 13 B6R0.1 COC[C@@H](N)CO CS-0201549 [0,1,0,0,0,0|1,0,0]=2 14 B6R0.1 COC[C@H](C)CO CS-0145677 [0,1,0,0,0,0|1,0,0]=2 15 B6R0.1 COC[C@H](N)CO CS-0201548 [0,1,0,0,0,0|1,0,0]=2 16 B6R0.1 NC(CO)CCO CS-0091333 [0,1,0,0,0,0|1,0,0]=2 17 B6R0.1 OC(CBr)CCBr CS-0449071 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.1 OCC[C@@H](Br)CO CS-1141050 [0,1,0,0,0,0|1,0,0]=2 19 B6R0.4 C#CCCN(C)C CS-0966990 [0,1,0,0,0,0|2,0,1]=4 20 B6R0.4 CC(C)CCCN CS-0252871 [0,1,0,0,0,0|1,0,0]=2 21 B6R0.4 CNCCC(C)O CS-0459922 [0,1,0,0,0,0|1,0,0]=2 22 B6R0.4 CSCCC(C)O CS-0242060 [0,1,0,0,0,0|1,0,0]=2 23 B6R0.4 O=C(O)CCCF CS-0491783 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.6 BrCCNCCBr CS-D1601 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.6 C#CCCCC#N CS-0196806 [0,1,0,0,0,0|1,0,2]=4 26 B6R0.6 C#CCCCCBr CS-0248001 [0,1,0,0,0,0|1,0,1]=3 27 B6R0.6 C#CCCNCC CS-0891938 [0,1,0,0,0,0|1,0,1]=3 28 B6R0.6 CCCCCCO CS-0076046 [0,1,0,0,0,0|0,0,0]=1 29 B6R0.6 NCCOCCN CS-W006284 [0,1,0,0,0,0|2,0,0]=3 30 B6R0.6 NCCOCCS CS-0115806 [0,1,0,0,0,0|1,1,0]=3 31 B6R0.6 [N-]=[N+]=NCCCBr CS-0567271 [0,1,0,0,0,0|3,0,0]=4 32 B6R1.1 C1C[Se]CCN1 CS-0371384 [0,0,0,1,0,0|1,1,0]=3 33 B6R1.2 CC1NCCS1 CS-0206098 [0,0,0,1,0,0|1,1,0]=3 34 B6R1.2 CN1CCOC1 CS-0247959 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 NC1CSSC1 CS-0342808 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.2 NN1CCCC1 CS-W001610 [0,0,0,1,0,0|2,0,0]=3 37 B6R1.2 O=C1CCCS1 CS-0120136 [0,0,0,1,0,0|1,0,2]=4 38 B6R1.3 NNCC1CC1 CS-0053098 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.3 OCC[C@H]1CO1 CS-0081472 [0,0,0,1,0,0|1,0,0]=2 40 B6R1.4 CC1CCC1=O CS-0611562 [0,0,0,1,0,0|0,0,2]=3 41 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0184482 [0,0,0,1,0,0|1,0,0]=2 42 B6R1.6 FCC1CNC1 CS-0102314 [0,0,0,1,0,0|2,0,0]=3 43 B6R1.6 N#C[C@H]1CCN1 CS-0172824 [0,0,0,1,0,0|2,0,1]=4 44 B6R1.6 OC[C@@H]1CCO1 CS-0099311 [0,0,0,1,0,0|1,0,0]=2 45 B6R1.6 OC[C@H]1CCN1 CS-0053482 [0,0,0,1,0,0|1,0,0]=2 46 B3R0.1 CCCN CS-0163446 [2,0,0,0,0,0|1,0,0]=3 47 B3R0.1 NCCI CS-0286771 [2,0,0,0,0,0|2,0,0]=4 48 B3R0.1 NCCN CS-0468678 [2,0,0,0,0,0|2,0,0]=4 49 B5R0.1 CC(F)CCN CS-0104778 [1,1,0,0,0,0|1,0,0]=3 50 B5R0.1 CC(N)CC#N CS-W020282 [1,1,0,0,0,0|1,0,1]=4 51 B5R0.1 CCC[C@@H](C)O CS-0198768 [1,1,0,0,0,0|0,0,0]=2 52 B5R0.1 CSCC(C)O CS-0265494 [1,1,0,0,0,0|1,0,0]=3 53 B5R0.1 C[S+](C)CCCl CS-0660802 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.1 NCCC(F)F CS-0112580 [1,1,0,0,0,0|2,0,0]=4 55 B5R0.3 BrCC(Br)CBr CS-0040066 [1,1,0,0,0,0|2,0,0]=4 56 B5R0.3 CCC(F)CN CS-0104693 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.3 CCC(I)CC CS-0236902 [1,1,0,0,0,0|0,0,0]=2 58 B5R0.3 CC[C@@H](C)CO CS-0616929 [1,1,0,0,0,0|0,0,0]=2 59 B5R0.3 N[C@@H](CO)CF CS-0567197 [1,1,0,0,0,0|1,0,0]=3 60 B5R0.3 N[C@H](CO)CF CS-0312195 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.3 OCC(Cl)CCl CS-0128320 [1,1,0,0,0,0|1,0,0]=3 62 B5R0.3 OC[C@H](O)CF CS-0022569 [1,1,0,0,0,0|1,0,0]=3 63 B7R0.2 CC(C)OC(=O)CO CS-0154171 [0,2,0,0,0,0|1,0,1]=4 64 B7R0.2 C[C@@H](CO)CN(C)C CS-0897817 [0,2,0,0,0,0|1,0,0]=3 65 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,2,0,0,0,0|1,0,1]=4 66 B7R0.3 C=CCC[C@@H](O)CCl CS-0374305 [0,2,0,0,0,0|0,0,2]=4 67 B7R0.3 CCCN[C@H](C)CO CS-0626374 [0,2,0,0,0,0|0,0,0]=2 68 B7R0.3 COC(=O)CCCO CS-0042326 [0,2,0,0,0,0|0,0,1]=3 69 B7R0.3 O=C(CBr)CCCBr CS-1172752 [0,2,0,0,0,0|1,0,1]=4 70 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [0,2,0,0,0,0|1,0,1]=4 71 B7R0.7 CCC[C@@H](N)CCO CS-0162168 [0,2,0,0,0,0|0,0,0]=2 72 B7R0.10 O[C@@H](CS)[C@@H](O)CS CS-0092112 [0,2,0,0,0,0|1,1,0]=4 73 B7R0.11 CNCC(F)(F)CO CS-0723517 [0,2,0,0,0,0|1,0,0]=3 74 B7R0.11 C[N+](C)(CF)CCO CS-0028197 [0,2,0,0,0,0|2,0,0]=4 75 B7R0.4 C#CCCCN(C)C CS-0966989 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.4 C#CCCNC(C)C CS-0850466 [0,2,0,0,0,0|1,0,1]=4 77 B7R0.4 C=CCCC[C@H](C)O CS-1049849 [0,2,0,0,0,0|0,0,1]=3 78 B7R0.4 CC(=O)CCCCO CS-0514254 [0,2,0,0,0,0|0,0,0]=2 79 B7R0.4 CCCCCC(N)=O CS-0128758 [0,2,0,0,0,0|0,0,1]=3 80 B7R0.4 NCCOCC(F)F CS-0530456 [0,2,0,0,0,0|2,0,0]=4 81 B7R0.4 O=[N+]([O-])CCCCO CS-0198124 [0,2,0,0,0,0|1,0,0]=3 82 B7R0.4 OCCNCC(F)F CS-0265634 [0,2,0,0,0,0|1,0,0]=3 83 B7R0.6 CC(=O)NCC(C)O CS-0223956 [0,2,0,0,0,0|1,0,1]=4 84 B7R0.6 CC(C)CC[N+](=O)[O-] CS-0252338 [0,2,0,0,0,0|1,0,1]=4 85 B7R0.6 C[C@H](N)CCC(=O)O CS-0753666 [0,2,0,0,0,0|0,0,1]=3 86 B7R0.8 CC(C)(C)OCCI CS-0308654 [0,2,0,0,0,0|2,0,0]=4 87 B7R0.8 CC(C)(C)SCCI CS-0202166 [0,2,0,0,0,0|2,0,0]=4 88 B7R0.8 CCCC[Si](C)(C)C CS-0612460 [0,2,0,0,0,0|1,1,0]=4 89 B7R0.1 C#CCCCCCN CS-0864774 [0,2,0,0,0,0|1,0,0]=3 90 B7R0.1 C=CCCCCCO CS-0185704 [0,2,0,0,0,0|0,0,0]=2 91 B7R0.1 COCCOCCO CS-0116091 [0,2,0,0,0,0|0,0,0]=2 92 B7R0.1 OCCSSCCO CS-0113483 [0,2,0,0,0,0|1,0,0]=3 93 B7R0.1 [N-]=[N+]=NCCCCBr CS-0614388 [0,2,0,0,0,0|2,0,0]=4 94 B5R1.2 O=C1CCO1 CS-0030919 [1,0,0,1,0,0|1,0,1]=4 95 B5R1.4 N[C@@H]1C[C@H]1F CS-0143345 [1,0,0,1,0,0|2,0,0]=4 96 B5R1.4 N[C@H]1C[C@@H]1F CS-0143348 [1,0,0,1,0,0|2,0,0]=4 97 B7R1.1 BrCC1=CCCC1 CS-0052832 [0,1,0,1,0,0|1,0,1]=4 98 B7R1.1 BrC[C@@H]1CCCO1 CS-0310762 [0,1,0,1,0,0|0,0,0]=2 99 B7R1.1 CC[C@@H]1CCCN1 CS-0452663 [0,1,0,1,0,0|1,0,0]=3 100 B7R1.1 CC[C@@H]1CCNC1 CS-0053328 [0,1,0,1,0,0|1,0,0]=3 101 B7R1.1 ClCC1CCCO1 CS-W011203 [0,1,0,1,0,0|0,0,0]=2 102 B7R1.1 FCC1CCNC1 CS-0614521 [0,1,0,1,0,0|1,0,0]=3 103 B7R1.1 N#CC1CCCO1 CS-0063942 [0,1,0,1,0,0|0,0,1]=3 104 B7R1.1 N#C[C@H]1CCCN1 CS-0053948 [0,1,0,1,0,0|1,0,1]=4 105 B7R1.1 NOC1CCCC1 CS-0634533 [0,1,0,1,0,0|0,0,0]=2 106 B7R1.1 OCC1CCCS1 CS-0265065 [0,1,0,1,0,0|0,0,0]=2 107 B7R1.1 OC[C@@H]1CCOC1 CS-0053251 [0,1,0,1,0,0|0,0,0]=2 108 B7R1.2 CN1CCC(N)C1 CS-W003707 [0,1,0,1,0,0|2,0,0]=4 109 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.2 C[C@@H]1C[C@@H](F)CN1 CS-0567283 [0,1,0,1,0,0|1,0,0]=3 111 B7R1.2 C[C@@H]1C[C@@H](O)CN1 CS-0038437 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.2 C[C@@H]1C[C@H](F)CN1 CS-0567284 [0,1,0,1,0,0|1,0,0]=3 113 B7R1.2 C[C@H]1CC[C@H](C)N1 CS-0111295 [0,1,0,1,0,0|1,0,0]=3 114 B7R1.2 C[C@H]1C[C@@H](F)CN1 CS-0626231 [0,1,0,1,0,0|1,0,0]=3 115 B7R1.2 C[C@H]1C[C@H](F)CN1 CS-0626227 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.2 C[C@H]1C[C@H](O)CN1 CS-0053220 [0,1,0,1,0,0|1,0,0]=3 117 B7R1.2 NC1CCC(F)C1 CS-0474191 [0,1,0,1,0,0|1,0,0]=3 118 B7R1.2 N[C@@H]1CC[C@@H](F)C1 CS-0645147 [0,1,0,1,0,0|1,0,0]=3 119 B7R1.2 N[C@@H]1CC[C@H](F)C1 CS-0437023 [0,1,0,1,0,0|1,0,0]=3 120 B7R1.2 N[C@H]1CC[C@@H](F)C1 CS-0053565 [0,1,0,1,0,0|1,0,0]=3 121 B7R1.2 N[C@H]1CC[C@H](F)C1 CS-0645145 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.3 C=C1CCNCC1 CS-0642791 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.3 CC1=NCCCC1 CS-1176015 [0,1,0,1,0,0|1,0,0]=3 124 B7R1.3 NC1C=CCCC1 CS-0447132 [0,1,0,1,0,0|1,0,1]=4 125 B7R1.3 NC1CCNCC1 CS-0069687 [0,1,0,1,0,0|1,0,0]=3 126 B7R1.3 N[C@H]1CCCNC1 CS-W020063 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.4 C[C@H]1CNC[C@H]1O CS-0036375 [0,1,0,1,0,0|0,0,0]=2 128 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [0,1,0,1,0,0|0,0,0]=2 129 B7R1.4 N[C@@H]1COC[C@@H]1O CS-0139374 [0,1,0,1,0,0|1,0,0]=3 130 B7R1.4 N[C@H]1COC[C@@H]1F CS-0183120 [0,1,0,1,0,0|2,0,0]=4 131 B7R1.4 N[C@H]1COC[C@H]1O CS-0053228 [0,1,0,1,0,0|1,0,0]=3 132 B7R1.4 O[C@H]1CCC[C@H]1O CS-0132323 [0,1,0,1,0,0|0,0,0]=2 133 B7R1.10 CCC1CC(=O)C1 CS-0056231 [0,1,0,1,0,0|0,0,2]=4 134 B7R1.10 CNC1CC(C)C1 CS-0036338 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.21 N#CCC1(N)CC1 CS-0644210 [0,1,0,1,0,0|1,0,1]=4 136 B7R1.21 NC1(CCO)CC1 CS-0183342 [0,1,0,1,0,0|0,0,0]=2 137 B7R1.22 N#CC(N)C1CC1 CS-0056048 [0,1,0,1,0,0|1,0,1]=4 138 B7R1.25 C#CC1(O)CCC1 CS-0127584 [0,1,0,1,0,0|1,0,1]=4 139 B7R1.25 C[C@@]1(CO)CCO1 CS-0502961 [0,1,0,1,0,0|1,0,0]=3 140 B7R1.25 C[C@]1(CO)CCO1 CS-0530295 [0,1,0,1,0,0|1,0,0]=3 141 B7R1.7 OCCOC1CC1 CS-0432950 [0,1,0,1,0,0|0,0,0]=2 142 B7R1.12 C[C@H]1C[C@H]1B(O)O CS-0254193 [0,1,0,1,0,0|1,0,0]=3 143 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [0,1,0,1,0,0|0,0,1]=3 144 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [0,1,0,1,0,0|0,0,1]=3 145 B7R1.14 C[C@]1(O)CNOC1 CS-0379936 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.18 C[C@@H](N)C1CCC1 CS-0055818 [0,1,0,1,0,0|1,0,0]=3 147 B7R1.18 C[C@@H](O)C1COC1 CS-0309420 [0,1,0,1,0,0|1,0,0]=3 148 B7R1.18 NC(=S)C1CCC1 CS-0308165 [0,1,0,1,0,0|0,1,1]=4