0 B6R0.2 B(CC(C)C)(O)O LS40457 [0,0,0,0,0,0|3,0,1]=4 1 B6R0.2 CC(=O)NC(=N)N LS40272 [0,0,0,0,0,0|3,0,1]=4 2 B6R0.2 CC(C)CC(C)N LS41472 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,0,0,0,0,0|3,0,0]=3 4 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,0,0,0,0,0|3,0,0]=3 5 B6R0.2 C[SiH](C)O[SiH](C)C LS40745 [0,0,0,0,0,0|1,2,0]=3 6 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,0,0,0,0,0|3,0,0]=4 7 B5R0.1 C(CO)C(=O)O LS40008 [1,0,0,0,0,0|3,0,0]=4 8 B5R0.1 CC#CC(=O)O LS40078 [1,0,0,0,0,0|2,0,1]=4 9 B5R0.1 CCC[C@@H](C)O LS30259 [1,0,0,0,0,0|1,0,2]=4 10 B5R0.1 CCC[C@H](C)O LS30258 [1,0,0,0,0,0|1,0,2]=4 11 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,1,0,0,0,0|1,0,0]=2 12 B7R0.2 CCC(C)CC(C)N LS41471 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,1,0,0,0,0|2,0,0]=3 14 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,0,0,0,0|2,0,0]=3 15 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,1,0,0,0,0|2,0,0]=3 16 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,0,0,0,0|2,0,0]=3 17 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,1,0,0,0,0|2,0,1]=4 18 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,1,0,0|2,0,0]=3 19 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,1,0,0|2,0,1]=4 20 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,0,0,1,0,0|3,0,0]=4 21 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,0,0,1,0,0|3,0,0]=4 22 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,1,0,0|1,0,0]=2 23 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,1,0,0|1,0,0]=2 24 B7R1.12 C1[C@@H]([C@@H]1F)C(=O)O LS30221 [0,0,0,1,0,0|3,0,0]=4 25 B5R0.5 B(C(C)C)(O)O LS11150 [0,0,0,0,1,0|2,0,1]=4 26 B5R0.5 CC(=O)C(=O)O LS41153 [0,0,0,0,1,0|2,0,1]=4 27 B5R0.5 CC(=O)C(=O)[O-] LS41154 [0,0,0,0,1,0|2,0,1]=4 28 B5R0.5 CC(=O)C(=O)[O-] LS41155 [0,0,0,0,1,0|2,0,1]=4 29 B5R0.5 CC(=O)C(=O)[O-] LS41156 [0,0,0,0,1,0|2,0,1]=4 30 B5R0.5 CC(=O)C(=O)[O-] LS41157 [0,0,0,0,1,0|2,0,1]=4 31 B5R0.5 CC(C(=O)O)Br LS40410 [0,0,0,0,1,0|2,0,0]=3 32 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [0,0,0,0,1,0|2,0,0]=3 33 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [0,0,0,0,1,0|2,0,0]=3 34 B7R0.6 CC(C)CCC(C)N LS41494 [0,0,0,0,0,1|2,0,1]=4 35 B4R0.1 C(C(=O)Cl)Br LS40185 [2,0,0,0,0,0|2,0,0]=4 36 B4R0.1 C(C(=O)N)I LS41576 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.1 C(C(=O)[O-])Br LS41065 [2,0,0,0,0,0|2,0,0]=4 38 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.1 CC[C@@H](C)O LS30261 [2,0,0,0,0,0|0,0,2]=4 40 B4R0.1 CC[C@H](C)O LS30260 [2,0,0,0,0,0|0,0,2]=4 41 B4R0.1 COC(Cl)Cl LS00123 [2,0,0,0,0,0|2,0,0]=4 42 B6R0.1 CCOC(=O)CBr LS40563 [1,1,0,0,0,0|0,0,0]=2 43 B6R0.1 CCOC(=O)CF LS40582 [1,1,0,0,0,0|0,0,0]=2 44 B6R0.1 CCOC(=O)OC LS41158 [1,1,0,0,0,0|0,0,0]=2 45 B6R0.3 CC(=O)N(C)OC LS41178 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.3 CCC(=O)C(=O)O LS41883 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.3 CCN(C)C(=O)Cl LS40081 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [1,1,0,0,0,0|2,0,0]=4 50 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,1,0,0,0,0|2,0,0]=4 51 B6R0.5 CC(C)(C)CC=O LS40274 [1,1,0,0,0,0|1,0,0]=3 52 B6R0.7 CC(C)(C(=O)O)N LS41573 [0,1,0,0,1,0|1,0,0]=3 53 B6R0.7 CC(C)(C)[S@@](=O)N LS30100 [0,1,0,0,1,0|2,0,0]=4 54 B6R0.7 CC(C)(C)[S@](=O)N LS30101 [0,1,0,0,1,0|2,0,0]=4 55 B8R0.9 CC(=O)OCC(=O)CCl LS41612 [0,1,0,0,0,1|1,0,1]=4 56 B8R0.23 C[C@@H](C(=O)OC(C)C)N LS30131 [0,1,0,0,0,1|1,0,1]=4 57 B8R0.19 COC(=O)CC(CCl)O LS40615 [0,2,0,0,0,0|2,0,0]=4 58 B8R0.19 COC(=O)C[C@@H](CCl)O LS30196 [0,2,0,0,0,0|2,0,0]=4 59 B8R0.19 COC(=O)C[C@H](CCl)O LS30198 [0,2,0,0,0,0|2,0,0]=4 60 B8R0.24 CC(C)(C)OC(=O)CBr LS41216 [0,2,0,0,0,0|0,0,0]=2 61 B8R0.24 CC(C)(C)OC(=O)CCl LS41215 [0,2,0,0,0,0|0,0,0]=2 62 B8R0.24 CC(C)(C)OC(=O)CN LS40344 [0,2,0,0,0,0|0,0,0]=2 63 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|0,0,0]=2 64 B6R1.2 C1CNCC1=O LS20898 [1,0,0,1,0,0|2,0,0]=4 65 B6R1.2 C1COCC1=O LS21051 [1,0,0,1,0,0|2,0,0]=4 66 B6R1.2 C1CSCC1=O LS40268 [1,0,0,1,0,0|2,0,0]=4 67 B6R1.2 CC1=NCCC1 LS20850 [1,0,0,1,0,0|2,0,0]=4 68 B6R1.11 C1CC1C(=O)Cl LS40512 [1,0,0,1,0,0|2,0,0]=4 69 B6R1.11 C1CC1C(=O)N LS40035 [1,0,0,1,0,0|2,0,0]=4 70 B6R1.11 C1CC1C(=O)O LS41647 [1,0,0,1,0,0|2,0,0]=4 71 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,0,0,1,0,1|2,0,0]=4 72 B8R1.1 C1=CC(=O)O[C@@H]1CO LS30091 [0,1,0,1,0,0|0,0,2]=4 73 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [0,1,0,1,0,0|1,0,0]=3 74 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [0,1,0,1,0,0|1,0,0]=3 75 B8R1.4 C1CNC(=O)CC1N LS20121 [0,1,0,1,0,0|2,0,0]=4 76 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,1,0,1,0,0|2,0,0]=4 77 B8R1.18 Cc1c(oc(n1)C)C LS20281 [0,1,0,1,0,0|1,0,1]=4