0 B6R0.1 CCOC(=O)CBr LS40563 [0,0,0,0,0,0|1,0,1]=2 1 B6R0.1 CCOC(=O)CF LS40582 [0,0,0,0,0,0|1,0,1]=2 2 B6R0.1 CCOC(=O)OC LS41158 [0,0,0,0,0,0|1,0,1]=2 3 B5R0.1 C(CCl)C(=O)Cl LS40026 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 C(CO)C(=O)O LS40008 [1,0,0,0,0,0|3,0,0]=4 5 B5R0.1 CC#CC(=O)O LS40078 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 C=CCCCBr LS20766 [1,0,0,0,0,0|2,0,1]=4 7 B5R0.3 C(C(=O)CO)O LS41177 [1,0,0,0,0,0|2,0,1]=4 8 B5R0.3 COC(=O)C#C LS40367 [1,0,0,0,0,0|0,0,2]=3 9 B5R0.3 COC(=O)CBr LS40562 [1,0,0,0,0,0|1,0,1]=3 10 B5R0.3 COC(=O)CF LS40581 [1,0,0,0,0,0|1,0,1]=3 11 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,1,0,0,0,0|2,0,1]=4 13 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,1,0,0,0,0|2,0,1]=4 15 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,0,0,0,0|2,0,1]=4 16 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,1,0,0,0,0|0,0,2]=3 17 B7R0.7 CCOC(=O)CCCl LS40099 [0,1,0,0,0,0|0,0,2]=3 18 B7R1.2 C1C(OC(=O)O1)F LS40377 [0,0,0,1,0,0|2,0,1]=4 19 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,1,0,0|1,0,1]=3 20 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,1,0,0|1,0,1]=3 21 B7R1.2 Cc1ccc(s1)Br LS20655 [0,0,0,1,0,0|1,1,1]=4 22 B7R1.2 Cc1ccc(s1)C LS20641 [0,0,0,1,0,0|1,1,1]=4 23 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,0,0,1,0,0|1,1,1]=4 24 B7R1.2 Cc1ccn(n1)C LS20249 [0,0,0,1,0,0|3,0,0]=4 25 B7R1.2 Cn1ccc(n1)N LS20251 [0,0,0,1,0,0|3,0,0]=4 26 B7R1.3 C1CC(=O)CNC1 LS20136 [0,0,0,1,0,0|2,0,1]=4 27 B7R1.3 C1CC(=O)CNC1 LS20876 [0,0,0,1,0,0|2,0,1]=4 28 B7R1.3 C1CNC(=O)CN1 LS20789 [0,0,0,1,0,0|2,0,1]=4 29 B7R1.3 C1COC(=O)CO1 LS40469 [0,0,0,1,0,0|1,0,1]=3 30 B7R1.3 C1COCC(=O)N1 LS20467 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [0,0,0,1,0,0|1,0,2]=4 32 B7R1.4 C1COC(=O)C1Br LS40518 [0,0,0,1,0,0|1,0,1]=3 33 B4R0.1 C(C(=O)Cl)Br LS40185 [2,0,0,0,0,0|2,0,0]=4 34 B4R0.1 C(C(=O)N)I LS41576 [2,0,0,0,0,0|2,0,0]=4 35 B4R0.1 C(C(=O)[O-])Br LS41065 [2,0,0,0,0,0|2,0,0]=4 36 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|2,0,0]=4 37 B4R0.2 C=CCCBr LS20765 [2,0,0,0,0,0|1,0,1]=4 38 B4R0.2 C=CCCO LS40761 [2,0,0,0,0,0|1,0,1]=4 39 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [1,1,0,0,0,0|2,0,0]=4 40 B6R0.2 C[C@H](CC(=O)O)N LS30206 [1,1,0,0,0,0|2,0,0]=4 41 B6R0.3 CCC(=O)C(=O)O LS41883 [1,1,0,0,0,0|2,0,0]=4 42 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [1,1,0,0,0,0|2,0,0]=4 43 B6R0.3 CCN(C)C(=O)Cl LS40081 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.4 C(CC(=O)Cl)CCl LS40415 [1,1,0,0,0,0|2,0,0]=4 46 B6R0.6 C=CCCCCO LS40909 [1,1,0,0,0,0|1,0,1]=4 47 B8R0.5 CCOC(=O)CC(=O)Cl LS40576 [0,2,0,0,0,0|0,0,1]=3 48 B8R0.5 CCOC(=O)CC(=O)[O-] LS40579 [0,2,0,0,0,0|0,0,1]=3 49 B8R0.5 CCOC(=O)C[N+](=O)[O-] LS41176 [0,2,0,0,0,0|1,0,1]=4 50 B8R0.23 C[C@@H](C(=O)OC(C)C)N LS30131 [0,2,0,0,0,0|0,0,2]=4 51 B8R0.24 CC(C)(C)OC(=O)CBr LS41216 [0,2,0,0,0,0|1,0,1]=4 52 B8R0.24 CC(C)(C)OC(=O)CCl LS41215 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.24 CC(C)(C)OC(=O)CN LS40344 [0,2,0,0,0,0|1,0,1]=4 54 B8R0.1 CCOC(=O)CCCCl LS41645 [0,2,0,0,0,0|0,0,2]=4 55 B8R0.1 CCOC(=O)NCCCl LS41685 [0,2,0,0,0,0|0,0,2]=4 56 B8R0.3 CCOC(=O)C(CBr)Br LS40411 [0,2,0,0,0,0|0,0,2]=4 57 B8R0.14 CCOC(=O)C(F)(F)Br LS40058 [0,2,0,0,0,0|1,0,1]=4 58 B8R0.14 CCOC(=O)C(F)(F)F LS41250 [0,2,0,0,0,0|1,0,1]=4 59 B8R0.20 CCN(CC)C(=O)C=C LS41678 [0,2,0,0,0,0|1,0,0]=3 60 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|0,0,1]=3 61 B6R1.11 C1CC1C(=O)Cl LS40512 [1,0,0,1,0,0|2,0,0]=4 62 B6R1.11 C1CC1C(=O)N LS40035 [1,0,0,1,0,0|2,0,0]=4 63 B6R1.11 C1CC1C(=O)O LS41647 [1,0,0,1,0,0|2,0,0]=4 64 B8R1.1 C1=CC(=O)O[C@@H]1CO LS30091 [0,1,0,1,0,0|0,0,0]=2 65 B8R1.1 C1[C@@H](OC(=O)N1)CCl LS30235 [0,1,0,1,0,0|1,0,1]=4 66 B8R1.1 C1[C@H](OC(=O)N1)CCl LS30234 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.1 Cc1ccc(s1)C=O LS20392 [0,1,0,1,0,0|0,1,1]=4