0 B5R0.3 BrCC(Br)CBr CS-0040066 [0,0,0,0,0,0|3,0,1]=4 1 B5R0.3 CCC(F)CN CS-0104693 [0,0,0,0,0,0|2,0,1]=3 2 B5R0.3 CCC(I)CC CS-0236902 [0,0,0,0,0,0|2,0,1]=3 3 B5R0.3 CC[C@@H](C)CO CS-0616929 [0,0,0,0,0,0|0,0,2]=2 4 B5R0.3 N[C@@H](CO)CF CS-0567197 [0,0,0,0,0,0|2,0,2]=4 5 B5R0.3 N[C@H](CO)CF CS-0312195 [0,0,0,0,0,0|2,0,2]=4 6 B5R0.3 OCC(Cl)CCl CS-0128320 [0,0,0,0,0,0|2,0,2]=4 7 B5R0.3 OC[C@H](O)CF CS-0022569 [0,0,0,0,0,0|2,0,2]=4 8 B4R0.1 C#C[C@@H](C)N CS-0147129 [1,0,0,0,0,0|1,0,2]=4 9 B4R0.1 C[C@H](N)C#N CS-0224553 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 C[SH](C)[Au]Cl CS-0035256 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 NC(=O)CCl CS-W011345 [1,0,0,0,0,0|2,0,1]=4 12 B4R0.1 O=C(O)CO CS-W016683 [1,0,0,0,0,0|2,0,1]=4 13 B4R0.2 NNCCO CS-W007663 [1,0,0,0,0,0|3,0,0]=4 14 B6R0.1 CCC(O)CC#N CS-0258400 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.1 CCC(O)CNC CS-0225521 [0,1,0,0,0,0|2,0,1]=4 16 B6R0.1 COC[C@@H](N)CO CS-0201549 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.1 COC[C@H](C)CO CS-0145677 [0,1,0,0,0,0|0,0,2]=3 18 B6R0.1 COC[C@H](N)CO CS-0201548 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.1 NC(CO)CCO CS-0091333 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.1 OC(CBr)CCBr CS-0449071 [0,1,0,0,0,0|2,0,1]=4 21 B6R0.1 OCC[C@@H](Br)CO CS-1141050 [0,1,0,0,0,0|1,0,2]=4 22 B6R0.3 CC(=O)\C(C)=N\O CS-0015129 [0,1,0,0,0,0|2,0,1]=4 23 B6R0.3 CCC(Br)C(=O)O CS-W016049 [0,1,0,0,0,0|1,0,0]=2 24 B6R0.3 N[C@H](CS)C(=O)O CS-0046802 [0,1,0,0,0,0|2,0,0]=3 25 B6R0.8 CC(C)(C#N)CN CS-0210728 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.8 CC(F)(CO)CO CS-0254482 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.9 CNC(CO)CO CS-0653184 [0,1,0,0,0,0|1,0,2]=4 28 B6R0.9 COC(CN)CO CS-0074707 [0,1,0,0,0,0|1,0,2]=4 29 B6R1.2 CC1NCCS1 CS-0206098 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 CN1CCOC1 CS-0247959 [0,0,0,1,0,0|1,0,2]=4 31 B6R1.4 CC1CCC1=O CS-0611562 [0,0,0,1,0,0|0,0,0]=1 32 B6R1.4 N[C@@H]1CC[C@@H]1O CS-0184482 [0,0,0,1,0,0|1,0,2]=4 33 B6R1.4 N[C@@H]1CNC1=O CS-0185261 [0,0,0,1,0,0|2,0,0]=3 34 B6R1.4 N[C@H]1CNC1=O CS-0053270 [0,0,0,1,0,0|2,0,0]=3 35 B6R1.6 FCC1CNC1 CS-0102314 [0,0,0,1,0,0|2,0,1]=4 36 B6R1.6 N#C[C@H]1CCN1 CS-0172824 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.6 OC[C@@H]1CCO1 CS-0099311 [0,0,0,1,0,0|1,0,2]=4 38 B6R1.6 OC[C@H]1CCN1 CS-0053482 [0,0,0,1,0,0|1,0,2]=4 39 B6R1.7 CC1(CO)N=N1 CS-0101345 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.7 CNC1(C)CC1 CS-0529677 [0,0,0,1,0,0|2,0,0]=3 41 B6R1.7 NCC1(F)CC1 CS-0184415 [0,0,0,1,0,0|2,0,1]=4 42 B3R0.1 C(=O)O[Cs] CS-0166609 [2,0,0,0,0,0|2,0,0]=4 43 B3R0.1 CCCN CS-0163446 [2,0,0,0,0,0|1,0,0]=3 44 B3R0.1 NCCI CS-0286771 [2,0,0,0,0,0|2,0,0]=4 45 B3R0.1 NCCN CS-0468678 [2,0,0,0,0,0|2,0,0]=4 46 B3R0.2 C[SiH](C)C CS-0612465 [2,0,0,0,0,0|0,1,1]=4 47 B5R0.1 CC(F)CCN CS-0104778 [1,1,0,0,0,0|1,0,0]=3 48 B5R0.1 CC(N)CC#N CS-W020282 [1,1,0,0,0,0|1,0,1]=4 49 B5R0.1 CCC[C@@H](C)O CS-0198768 [1,1,0,0,0,0|0,0,1]=3 50 B5R0.1 CN(C)CC=O CS-0114075 [1,1,0,0,0,0|1,0,0]=3 51 B5R0.1 CSCC(C)O CS-0265494 [1,1,0,0,0,0|0,0,1]=3 52 B5R0.1 C[S+](C)CCCl CS-0660802 [1,1,0,0,0,0|1,0,1]=4 53 B5R0.1 NCCC(F)F CS-0112580 [1,1,0,0,0,0|2,0,0]=4 54 B5R0.5 CC(C)C(N)=S CS-W011304 [1,1,0,0,0,0|0,1,0]=3 55 B5R0.5 CC(O)C(=O)O CS-0021601 [1,1,0,0,0,0|1,0,0]=3 56 B5R0.5 C[C@@H](F)C(=O)O CS-0435455 [1,1,0,0,0,0|1,0,0]=3 57 B5R0.5 C[C@@H](N)[C@@H](C)O CS-0133760 [1,1,0,0,0,0|0,0,1]=3 58 B5R0.5 C[C@H](F)C(=O)O CS-0436042 [1,1,0,0,0,0|1,0,0]=3 59 B5R0.2 C#CCCNC CS-0891238 [1,1,0,0,0,0|1,0,1]=4 60 B5R0.2 C=CCCCO CS-W011355 [1,1,0,0,0,0|1,0,0]=3 61 B5R0.2 N#CCCCN CS-0343605 [1,1,0,0,0,0|1,0,1]=4 62 B5R0.2 N#CCCCO CS-W001264 [1,1,0,0,0,0|1,0,1]=4 63 B7R0.2 C[C@@H](CO)CN(C)C CS-0897817 [0,2,0,0,0,0|0,0,2]=4 64 B7R0.2 NC[C@@H](O)CC(=O)O CS-W023137 [0,2,0,0,0,0|2,0,0]=4 65 B7R0.3 CCCN[C@H](C)CO CS-0626374 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.5 C#CCC(O)C(=O)O CS-0237172 [0,2,0,0,0,0|1,0,1]=4 67 B7R0.5 C#CC[C@@H](N)C(=O)O CS-0158576 [0,2,0,0,0,0|1,0,1]=4 68 B7R0.5 N[C@H](CCS)C(=O)O CS-M1780 [0,2,0,0,0,0|1,0,0]=3 69 B7R0.10 CCC(O)C(=O)OC CS-0469790 [0,2,0,0,0,0|1,0,0]=3 70 B7R0.10 CCC(O)C(=O)O[Na] CS-W013506 [0,2,0,0,0,0|1,0,0]=3 71 B7R0.10 COC(=O)C(Br)CBr CS-0187461 [0,2,0,0,0,0|2,0,0]=4 72 B7R0.10 COC(=O)C(Cl)CCl CS-W017982 [0,2,0,0,0,0|2,0,0]=4 73 B7R0.10 COC(=O)C(N)CCl CS-0150915 [0,2,0,0,0,0|2,0,0]=4 74 B7R0.11 C#CC(C)(O)COC CS-0245230 [0,2,0,0,0,0|1,0,1]=4 75 B7R0.13 NCC(F)(F)C(=O)O CS-0089610 [0,2,0,0,0,0|2,0,0]=4 76 B7R0.14 CCN(C)S(N)(=O)=O CS-0217845 [0,2,0,0,0,0|2,0,0]=4 77 B7R0.15 CC(C)C(CO)CO CS-0143428 [0,2,0,0,0,0|0,0,2]=4 78 B7R0.15 CCC(CC)C(=O)O CS-W004154 [0,2,0,0,0,0|0,0,0]=2 79 B7R0.15 CC[C@@H](CN)C(=O)O CS-0781938 [0,2,0,0,0,0|0,0,0]=2 80 B7R0.15 C\C=C(\CC)C(=O)O CS-0825044 [0,2,0,0,0,0|0,0,1]=3 81 B7R0.15 O=C(O)C(CS)CS CS-M3522 [0,2,0,0,0,0|1,0,0]=3 82 B7R0.16 C[C@@H](O)[C@H](N)C(=O)O CS-0031488 [0,2,0,0,0,0|1,0,0]=3 83 B5R1.2 O=C1CCO1 CS-0030919 [1,0,0,1,0,0|1,0,1]=4 84 B5R1.4 N[C@@H]1C[C@H]1F CS-0143345 [1,0,0,1,0,0|2,0,0]=4 85 B5R1.4 N[C@H]1C[C@@H]1F CS-0143348 [1,0,0,1,0,0|2,0,0]=4 86 B7R1.1 BrCC1=CCCC1 CS-0052832 [0,1,0,1,0,0|1,0,1]=4 87 B7R1.1 BrC[C@@H]1CCCO1 CS-0310762 [0,1,0,1,0,0|1,0,1]=4 88 B7R1.1 CC[C@@H]1CCCN1 CS-0452663 [0,1,0,1,0,0|1,0,1]=4 89 B7R1.1 CC[C@@H]1CCNC1 CS-0053328 [0,1,0,1,0,0|1,0,1]=4 90 B7R1.1 ClCC1CCCO1 CS-W011203 [0,1,0,1,0,0|1,0,1]=4 91 B7R1.1 FCC1CCNC1 CS-0614521 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.1 N#CC1CCCO1 CS-0063942 [0,1,0,1,0,0|1,0,1]=4 93 B7R1.1 N#C[C@H]1CCCN1 CS-0053948 [0,1,0,1,0,0|1,0,1]=4 94 B7R1.1 NOC1CCCC1 CS-0634533 [0,1,0,1,0,0|2,0,0]=4 95 B7R1.1 OCC1CCCS1 CS-0265065 [0,1,0,1,0,0|0,0,2]=4 96 B7R1.1 OC[C@@H]1CCOC1 CS-0053251 [0,1,0,1,0,0|0,0,2]=4 97 B7R1.2 C[C@@H]1CC(=O)CN1 CS-0656263 [0,1,0,1,0,0|1,0,0]=3 98 B7R1.2 C[C@@H]1C[C@@H](F)CN1 CS-0567283 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.2 C[C@@H]1C[C@@H](O)CN1 CS-0038437 [0,1,0,1,0,0|2,0,0]=4 100 B7R1.2 C[C@@H]1C[C@H](F)CN1 CS-0567284 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.2 C[C@H]1CC[C@H](C)N1 CS-0111295 [0,1,0,1,0,0|1,0,1]=4 102 B7R1.2 C[C@H]1C[C@@H](F)CN1 CS-0626231 [0,1,0,1,0,0|2,0,0]=4 103 B7R1.2 C[C@H]1C[C@H](F)CN1 CS-0626227 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.2 C[C@H]1C[C@H](O)CN1 CS-0053220 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.2 O=C1C=C(I)CC1 CS-0611577 [0,1,0,1,0,0|1,0,1]=4 106 B7R1.3 NC1C=CCCC1 CS-0447132 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.4 C=C1COCC1N CS-0434887 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.4 CN1CNCC1=O CS-0620292 [0,1,0,1,0,0|1,0,0]=3 109 B7R1.4 C[C@H]1CNC[C@H]1O CS-0036375 [0,1,0,1,0,0|0,0,2]=4 110 B7R1.4 C[C@H]1OCC[C@H]1N CS-0038438 [0,1,0,1,0,0|1,0,1]=4 111 B7R1.4 O=C1NCCC1F CS-0467788 [0,1,0,1,0,0|1,0,0]=3 112 B7R1.10 CCC1CC(=O)C1 CS-0056231 [0,1,0,1,0,0|0,0,0]=2 113 B7R1.10 CNC1CC(C)C1 CS-0036338 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.21 CC1(CCN)N=N1 CS-0101343 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.25 C#CC1(O)CCC1 CS-0127584 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.25 C[C@@]1(CO)CCO1 CS-0502961 [0,1,0,1,0,0|0,0,2]=4 117 B7R1.25 C[C@]1(CO)CCO1 CS-0530295 [0,1,0,1,0,0|0,0,2]=4 118 B7R1.12 C[C@H]1C[C@H]1B(O)O CS-0254193 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.12 C[C@H]1C[C@H]1C(=O)O CS-0368383 [0,1,0,1,0,0|0,0,0]=2 120 B7R1.12 [C@@H]1(C(=O)O)C[C@@H]1C CS-0049741 [0,1,0,1,0,0|0,0,0]=2 121 B7R1.18 CC(=O)N1CCC1 CS-0240228 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.18 C[C@@H](N)C1CCC1 CS-0055818 [0,1,0,1,0,0|1,0,1]=4 123 B7R1.18 C[C@@H](O)C1COC1 CS-0309420 [0,1,0,1,0,0|0,0,2]=4 124 B7R1.18 NC(=S)C1CCC1 CS-0308165 [0,1,0,1,0,0|0,1,0]=3