0 B6R0.1 CCOC(=O)CBr LS40563 [0,0,0,0,0,0|2,0,1]=3 1 B6R0.1 CCOC(=O)CF LS40582 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.1 CCOC(=O)OC LS41158 [0,0,0,0,0,0|2,0,1]=3 3 B6R0.1 CNC(=O)CC#N LS41677 [0,0,0,0,0,0|2,0,2]=4 4 B5R0.1 CC#CC(=O)O LS40078 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.2 C(\C=C/CCl)Cl LS30130 [1,0,0,0,0,0|2,0,1]=4 6 B5R0.2 C(\C=C\CCl)Cl LS30302 [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|1,0,2]=4 9 B5R0.3 COC(=O)CBr LS40562 [1,0,0,0,0,0|2,0,0]=3 10 B5R0.3 COC(=O)CF LS40581 [1,0,0,0,0,0|2,0,0]=3 11 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,1,0,0,0,0|2,0,1]=4 12 B7R0.2 COC(=O)CC(=O)O LS41603 [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|1,0,2]=4 14 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,1,0,0,0,0|1,0,2]=4 15 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,1,0,0,0,0|1,0,2]=4 16 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,1,0,0,0,0|1,0,2]=4 17 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,1,0,0,0,0|1,0,0]=2 18 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,1,0,0,0,0|1,0,1]=3 19 B7R0.7 CCOC(=O)CCCl LS40099 [0,1,0,0,0,0|1,0,1]=3 20 B7R1.1 CCc1[nH]ccn1 LS20052 [0,0,0,1,0,0|2,0,1]=4 21 B7R1.1 c1cc(sc1)CO LS20642 [0,0,0,1,0,0|1,1,1]=4 22 B7R1.2 C1CC(=O)CC1=O LS41637 [0,0,0,1,0,0|1,0,1]=3 23 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,0,0,1,0,0|2,0,1]=4 24 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,0,0,1,0,0|2,0,1]=4 25 B7R1.2 Cc1cc(cs1)Br LS20656 [0,0,0,1,0,0|2,0,1]=4 26 B7R1.2 Cc1cc(no1)N LS21146 [0,0,0,1,0,0|3,0,0]=4 27 B7R1.3 C1CC(=O)CNC1 LS20136 [0,0,0,1,0,0|1,0,1]=3 28 B7R1.3 C1CC(=O)CNC1 LS20876 [0,0,0,1,0,0|1,0,1]=3 29 B7R1.3 C1CCS(=O)CC1 LS40520 [0,0,0,1,0,0|1,0,2]=4 30 B7R1.3 C1CNC(=O)CN1 LS20789 [0,0,0,1,0,0|2,0,1]=4 31 B7R1.3 C1COC(=O)CO1 LS40469 [0,0,0,1,0,0|2,0,1]=4 32 B7R1.3 C1COCC(=O)N1 LS20467 [0,0,0,1,0,0|2,0,1]=4 33 B7R1.3 C1COCCC1=O LS40242 [0,0,0,1,0,0|1,0,2]=4 34 B7R1.3 C1CSCCC1=O LS40396 [0,0,0,1,0,0|1,0,2]=4 35 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [0,0,0,1,0,0|1,0,2]=4 36 B7R1.4 C1COC(=O)C1Br LS40518 [0,0,0,1,0,0|2,0,1]=4 37 B7R1.4 Cn1c(ccn1)N LS20177 [0,0,0,1,0,0|3,0,0]=4 38 B4R0.1 C(C(=O)Cl)Br LS40185 [2,0,0,0,0,0|2,0,0]=4 39 B4R0.1 C(C(=O)N)I LS41576 [2,0,0,0,0,0|2,0,0]=4 40 B4R0.1 C(C(=O)[O-])Br LS41065 [2,0,0,0,0,0|2,0,0]=4 41 B4R0.1 CC(=C)CO LS40522 [2,0,0,0,0,0|2,0,0]=4 42 B4R0.1 CC[C@@H](C)O LS30261 [2,0,0,0,0,0|0,0,2]=4 43 B4R0.1 CC[C@H](C)O LS30260 [2,0,0,0,0,0|0,0,2]=4 44 B4R0.2 C=CCCBr LS20765 [2,0,0,0,0,0|1,0,1]=4 45 B4R0.2 C=CCCO LS40761 [2,0,0,0,0,0|1,0,1]=4 46 B6R0.2 CC(=O)NC(=N)N LS40272 [1,1,0,0,0,0|2,0,0]=4 47 B6R0.3 CC(=C)C(=O)NC LS41593 [1,1,0,0,0,0|2,0,0]=4 48 B6R0.3 CC(=O)N(C)OC LS41178 [1,1,0,0,0,0|2,0,0]=4 49 B6R0.3 CCC(=O)C(=O)O LS41883 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [1,1,0,0,0,0|1,0,1]=4 51 B8R0.5 CCOC(=O)CC(=O)Cl LS40576 [0,2,0,0,0,0|1,0,1]=4 52 B8R0.5 CCOC(=O)CC(=O)[O-] LS40579 [0,2,0,0,0,0|1,0,1]=4 53 B8R0.19 COC(=O)CC(=O)CCl LS41860 [0,2,0,0,0,0|1,0,1]=4 54 B8R0.23 C[C@@H](C(=O)OC(C)C)N LS30131 [0,2,0,0,0,0|1,0,1]=4 55 B8R0.1 CCOC(=O)CCCCl LS41645 [0,2,0,0,0,0|0,0,2]=4 56 B8R0.1 CCOC(=O)NCCCl LS41685 [0,2,0,0,0,0|1,0,1]=4 57 B8R0.3 CCOC(=O)C(CBr)Br LS40411 [0,2,0,0,0,0|1,0,1]=4 58 B8R0.9 CC(=O)OCC(=O)CCl LS41612 [0,2,0,0,0,0|1,0,1]=4 59 B8R0.20 CCC(=O)N(CC)CC LS41679 [0,2,0,0,0,0|1,0,1]=4 60 B6R1.2 C1CC(=O)OC1 LS40356 [1,0,0,1,0,0|1,0,1]=4 61 B6R1.2 C1CNCC1=O LS20898 [1,0,0,1,0,0|1,0,1]=4 62 B6R1.2 C1COCC1=O LS21051 [1,0,0,1,0,0|1,0,1]=4 63 B6R1.2 C1CSCC1=O LS40268 [1,0,0,1,0,0|1,0,1]=4 64 B6R1.2 Cc1cc[nH]n1 LS20095 [1,0,0,1,0,0|2,0,0]=4 65 B6R1.2 Cc1cccs1 LS20640 [1,0,0,1,0,0|0,1,1]=4 66 B8R1.4 C1CNC(=O)CC1N LS20121 [0,1,0,1,0,0|1,0,1]=4 67 B8R1.4 CN1CCNC(=O)C1 LS21189 [0,1,0,1,0,0|1,0,1]=4 68 B8R1.18 Cc1cc(=O)n([nH]1)C LS20878 [0,1,0,1,0,0|1,0,0]=3 69 B8R1.3 CN1CCC(=O)CC1 LS20681 [0,1,0,1,0,0|0,0,2]=4 70 B8R1.5 Cn1ccccc1=O LS40391 [0,1,0,1,0,0|1,0,1]=4 71 B8R1.50 C1CC(=O)N(C1=O)I LS00001 [0,1,0,1,0,0|2,0,0]=4 72 B8R1.50 C1CC(=O)N(C1=O)O LS00022 [0,1,0,1,0,0|2,0,0]=4 73 B8R1.50 CN1C(=O)C=CC1=O LS40580 [0,1,0,1,0,0|1,0,1]=4 74 B8R1.8 c1cc(sc1)CCN LS21113 [0,1,0,1,0,0|0,1,1]=4 75 B8R1.8 c1cc(sc1)CCO LS21112 [0,1,0,1,0,0|0,1,1]=4 76 B8R1.11 Cn1c(ccn1)C=O LS20046 [0,1,0,1,0,0|2,0,0]=4