0 B5R0.1 C(C#N)C(=O)N LS41191 [0,0,0,0,0,0|2,0,2]=4 1 B5R0.1 C(CCl)C(=O)Cl LS40026 [0,0,0,0,0,0|2,0,2]=4 2 B5R0.1 C(CO)C(=O)O LS40008 [0,0,0,0,0,0|2,0,2]=4 3 B5R0.1 CC#CC(=O)O LS40078 [0,0,0,0,0,0|1,0,2]=3 4 B5R0.1 CCC[C@@H](C)O LS30259 [0,0,0,0,0,0|0,0,4]=4 5 B5R0.1 CCC[C@H](C)O LS30258 [0,0,0,0,0,0|0,0,4]=4 6 B4R0.1 C(C(=O)Cl)Br LS40185 [1,0,0,0,0,0|2,0,1]=4 7 B4R0.1 C(C(=O)N)I LS41576 [1,0,0,0,0,0|2,0,1]=4 8 B4R0.1 C(C(=O)[O-])Br LS41065 [1,0,0,0,0,0|2,0,1]=4 9 B4R0.1 CC(=C)CO LS40522 [1,0,0,0,0,0|2,0,1]=4 10 B4R0.1 CC(=NO)C LS00155 [1,0,0,0,0,0|3,0,0]=4 11 B4R0.1 CC[C@@H](C)O LS30261 [1,0,0,0,0,0|0,0,3]=4 12 B4R0.1 CC[C@H](C)O LS30260 [1,0,0,0,0,0|0,0,3]=4 13 B6R0.1 CCOC(=O)CBr LS40563 [0,1,0,0,0,0|1,0,1]=3 14 B6R0.1 CCOC(=O)CF LS40582 [0,1,0,0,0,0|1,0,1]=3 15 B6R0.1 CCOC(=O)OC LS41158 [0,1,0,0,0,0|1,0,1]=3 16 B6R0.1 CNC(=O)CC#N LS41677 [0,1,0,0,0,0|1,0,2]=4 17 B6R0.2 CC(=O)NC(=N)N LS40272 [0,1,0,0,0,0|2,0,0]=3 18 B6R0.2 C[C@@H](CC(=O)O)N LS30205 [0,1,0,0,0,0|1,0,2]=4 19 B6R0.2 C[C@H](CC(=O)O)N LS30206 [0,1,0,0,0,0|1,0,2]=4 20 B6R0.3 C=C[C@@H](C(=O)O)N LS30533 [0,1,0,0,0,0|1,0,2]=4 21 B6R0.3 CC(=C)C(=O)NC LS41593 [0,1,0,0,0,0|2,0,0]=3 22 B6R0.3 CC(=O)N(C)OC LS41178 [0,1,0,0,0,0|2,0,0]=3 23 B6R0.3 CCC(=O)C(=O)O LS41883 [0,1,0,0,0,0|1,0,1]=3 24 B6R0.3 CCC(=O)C(=O)[O-] LS41889 [0,1,0,0,0,0|1,0,1]=3 25 B6R0.3 CCN(C)C(=O)Cl LS40081 [0,1,0,0,0,0|2,0,1]=4 26 B6R0.3 CC[C@@H](C(=O)O)O LS30082 [0,1,0,0,0,0|1,0,2]=4 27 B6R0.3 COC(=O)C(=C)F LS41928 [0,1,0,0,0,0|2,0,1]=4 28 B6R0.3 C[C@@H](C(=O)OC)Cl LS30250 [0,1,0,0,0,0|2,0,1]=4 29 B6R0.4 C(CC(=O)Cl)CCl LS40415 [0,1,0,0,0,0|1,0,2]=4 30 B6R0.4 C=CCCC(=O)O LS41473 [0,1,0,0,0,0|1,0,2]=4 31 B6R1.2 C1CC(=O)OC1 LS40356 [0,0,0,1,0,0|1,0,1]=3 32 B6R1.2 C1CNCC1=O LS20898 [0,0,0,1,0,0|1,0,1]=3 33 B6R1.2 C1COCC1=O LS21051 [0,0,0,1,0,0|1,0,1]=3 34 B6R1.2 C1CSCC1=O LS40268 [0,0,0,1,0,0|1,0,1]=3 35 B6R1.2 CC1=NCCC1 LS20850 [0,0,0,1,0,0|1,0,2]=4 36 B6R1.2 Cc1[nH]ccn1 LS20670 [0,0,0,1,0,0|2,0,1]=4 37 B6R1.2 Cc1c[nH]nc1 LS20097 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.2 Cc1cc[nH]n1 LS20095 [0,0,0,1,0,0|2,0,0]=3 39 B6R1.2 Cc1cccs1 LS20640 [0,0,0,1,0,0|0,1,1]=3 40 B6R1.2 Cc1cnoc1 LS20829 [0,0,0,1,0,0|3,0,0]=4 41 B6R1.2 Cn1cccn1 LS20706 [0,0,0,1,0,0|2,0,1]=4 42 B6R1.2 Cn1ccnc1 LS20202 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.2 c1c[nH]nc1N LS20237 [0,0,0,1,0,0|3,0,0]=4 44 B6R1.2 c1cc(sc1)Br LS20644 [0,0,0,1,0,0|1,1,1]=4 45 B6R1.2 c1cc(sc1)Cl LS21132 [0,0,0,1,0,0|1,1,1]=4 46 B6R1.2 c1cc(sc1)S LS21100 [0,0,0,1,0,0|1,1,1]=4 47 B6R1.2 c1cnsc1N LS20872 [0,0,0,1,0,0|2,1,0]=4 48 B6R1.2 c1coc(=O)o1 LS40378 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.2 c1cocc1Br LS20289 [0,0,0,1,0,0|2,0,1]=4 50 B6R1.2 c1conc1N LS20282 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.2 c1cscc1Br LS20645 [0,0,0,1,0,0|2,0,1]=4 52 B6R1.11 C1CC1C(=O)Cl LS40512 [0,0,0,1,0,0|1,0,2]=4 53 B6R1.11 C1CC1C(=O)N LS40035 [0,0,0,1,0,0|1,0,2]=4 54 B6R1.11 C1CC1C(=O)O LS41647 [0,0,0,1,0,0|1,0,2]=4 55 B3R0.1 CNOC LS41340 [2,0,0,0,0,0|2,0,0]=4 56 B3R0.2 BN(C)C LS00132 [2,0,0,0,0,0|2,0,0]=4 57 B3R0.2 C(=O)(O)[O-] LS60311 [2,0,0,0,0,0|2,0,0]=4 58 B3R0.2 CC(=O)O LS00077 [2,0,0,0,0,0|1,0,0]=3 59 B3R0.2 CC(=O)[O-] LS60288 [2,0,0,0,0,0|1,0,0]=3 60 B3R0.2 CC(=O)[O-] LS60289 [2,0,0,0,0,0|1,0,0]=3 61 B3R0.2 CC(=O)[O-] LS60314 [2,0,0,0,0,0|1,0,0]=3 62 B3R0.2 CC(C)[O-] LS60292 [2,0,0,0,0,0|0,0,2]=4 63 B3R0.2 CN(C)C LS41629 [2,0,0,0,0,0|2,0,0]=4 64 B3R0.2 CP(C)C LS41013 [2,0,0,0,0,0|2,0,0]=4 65 B5R0.3 C(C(=O)CO)O LS41177 [1,1,0,0,0,0|1,0,1]=4 66 B5R0.3 COC(=O)C#C LS40367 [1,1,0,0,0,0|0,0,2]=4 67 B5R0.3 COC(=O)CBr LS40562 [1,1,0,0,0,0|1,0,0]=3 68 B5R0.3 COC(=O)CF LS40581 [1,1,0,0,0,0|1,0,0]=3 69 B5R0.4 CC(C)(C)C=C LS40301 [1,1,0,0,0,0|1,0,1]=4 70 B5R0.4 CNS(=O)(=O)C LS40122 [1,1,0,0,0,0|2,0,0]=4 71 B5R0.5 C(=O)(C(=O)[O-])O LS41479 [1,1,0,0,0,0|2,0,0]=4 72 B5R0.5 C(=O)(C(=O)[O-])[O-] LS40476 [1,1,0,0,0,0|2,0,0]=4 73 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41476 [1,1,0,0,0,0|2,0,0]=4 74 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41477 [1,1,0,0,0,0|2,0,0]=4 75 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41480 [1,1,0,0,0,0|2,0,0]=4 76 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41481 [1,1,0,0,0,0|2,0,0]=4 77 B5R0.5 C(=O)(C(=O)[O-])[O-] LS41482 [1,1,0,0,0,0|2,0,0]=4 78 B5R0.5 C(=O)(C(=O)[O-])[O-] LS60291 [1,1,0,0,0,0|2,0,0]=4 79 B5R0.5 CC(=O)C(=O)O LS41153 [1,1,0,0,0,0|1,0,0]=3 80 B5R0.5 CC(=O)C(=O)[O-] LS41154 [1,1,0,0,0,0|1,0,0]=3 81 B5R0.5 CC(=O)C(=O)[O-] LS41155 [1,1,0,0,0,0|1,0,0]=3 82 B5R0.5 CC(=O)C(=O)[O-] LS41156 [1,1,0,0,0,0|1,0,0]=3 83 B5R0.5 CC(=O)C(=O)[O-] LS41157 [1,1,0,0,0,0|1,0,0]=3 84 B5R0.5 CC(C(=O)O)Br LS40410 [1,1,0,0,0,0|1,0,1]=4 85 B5R0.5 C[C@@H](C(=O)O)Br LS30293 [1,1,0,0,0,0|1,0,1]=4 86 B5R0.5 C[C@@H](C(=O)O)Cl LS30117 [1,1,0,0,0,0|1,0,1]=4 87 B5R0.2 C(\C=C/CCl)Cl LS30130 [1,1,0,0,0,0|1,0,1]=4 88 B5R0.2 C(\C=C\CCl)Cl LS30302 [1,1,0,0,0,0|1,0,1]=4 89 B7R0.2 CC(C)NC(=O)CBr LS40529 [0,2,0,0,0,0|1,0,1]=4 90 B7R0.2 COC(=O)CC(=O)O LS41603 [0,2,0,0,0,0|1,0,1]=4 91 B7R0.2 C[C@@H](CC(=O)OC)N LS30208 [0,2,0,0,0,0|0,0,2]=4 92 B7R0.2 C[C@@H](CC(=O)OC)O LS30199 [0,2,0,0,0,0|0,0,2]=4 93 B7R0.2 C[C@H](CC(=O)OC)N LS30209 [0,2,0,0,0,0|0,0,2]=4 94 B7R0.2 C[C@H](CC(=O)OC)O LS30200 [0,2,0,0,0,0|0,0,2]=4 95 B7R0.2 C\C(=C\C(=O)OC)\N LS40727 [0,2,0,0,0,0|0,0,0]=2 96 B7R0.5 CCOC(=O)[C@@H](C)O LS30021 [0,2,0,0,0,0|1,0,1]=4 97 B7R0.7 CCOC(=O)CCCl LS40099 [0,2,0,0,0,0|1,0,1]=4 98 B7R0.4 CCC\C=C\C(=O)C LS41924 [0,2,0,0,0,0|0,0,0]=2 99 B7R0.4 CCO\C=C\C(=O)O LS40208 [0,2,0,0,0,0|1,0,0]=3 100 B7R0.6 CC(=O)CCC(=O)O LS41171 [0,2,0,0,0,0|1,0,1]=4 101 B5R1.2 C1C(=O)CO1 LS41911 [1,0,0,1,0,0|1,0,1]=4 102 B5R1.2 C1C(=O)CS1 LS40394 [1,0,0,1,0,0|1,0,1]=4 103 B5R1.2 C1CC(=O)C1 LS40231 [1,0,0,1,0,0|0,0,1]=3 104 B5R1.1 C1C=CCN1 LS20566 [1,0,0,1,0,0|1,0,1]=4 105 B5R1.1 c1c[nH]nc1 LS21032 [1,0,0,1,0,0|2,0,0]=4 106 B5R1.1 c1cnoc1 LS21145 [1,0,0,1,0,0|1,0,1]=4 107 B5R1.1 c1cnsc1 LS21251 [1,0,0,1,0,0|1,1,0]=4 108 B7R1.1 c1cc([nH]c1)C=O LS00119 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.1 c1cc(sc1)C=O LS40350 [0,1,0,1,0,0|1,0,1]=4 110 B7R1.1 c1cc(sc1)CO LS20642 [0,1,0,1,0,0|0,1,1]=4 111 B7R1.1 c1cscc1C=O LS20646 [0,1,0,1,0,0|1,0,1]=4 112 B7R1.2 C1CC(=O)CC1=O LS41637 [0,1,0,1,0,0|0,0,1]=3 113 B7R1.2 C1[C@@H](CNC1=O)O LS30539 [0,1,0,1,0,0|1,0,1]=4 114 B7R1.2 C1[C@@H](COC1=O)O LS30540 [0,1,0,1,0,0|1,0,1]=4 115 B7R1.2 C[C@@H]1COC(=O)O1 LS30247 [0,1,0,1,0,0|1,0,1]=4 116 B7R1.2 C[C@H]1COC(=O)O1 LS30246 [0,1,0,1,0,0|1,0,1]=4 117 B7R1.2 Cc1cc(cs1)Br LS20656 [0,1,0,1,0,0|0,1,1]=4 118 B7R1.2 Cc1cc(no1)N LS21146 [0,1,0,1,0,0|1,0,1]=4 119 B7R1.2 Cc1ccc(s1)Br LS20655 [0,1,0,1,0,0|0,1,1]=4 120 B7R1.2 Cc1ccc(s1)C LS20641 [0,1,0,1,0,0|0,1,0]=3 121 B7R1.2 Cc1ccc(s1)Cl LS20653 [0,1,0,1,0,0|0,1,1]=4 122 B7R1.2 Cc1ccn(n1)C LS20249 [0,1,0,1,0,0|1,0,0]=3 123 B7R1.2 Cc1cnc(s1)N LS20937 [0,1,0,1,0,0|1,1,0]=4 124 B7R1.2 Cn1ccc(n1)N LS20251 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.3 C1CC(=O)CNC1 LS20136 [0,1,0,1,0,0|0,0,2]=4 126 B7R1.3 C1CC(=O)CNC1 LS20876 [0,1,0,1,0,0|0,0,2]=4 127 B7R1.3 C1CNC(=O)CN1 LS20789 [0,1,0,1,0,0|1,0,1]=4 128 B7R1.3 C1COC(=O)CO1 LS40469 [0,1,0,1,0,0|1,0,1]=4 129 B7R1.3 C1COCC(=O)N1 LS20467 [0,1,0,1,0,0|1,0,1]=4 130 B7R1.3 C1COCCC1=O LS40242 [0,1,0,1,0,0|0,0,2]=4 131 B7R1.3 C1CSCCC1=O LS40396 [0,1,0,1,0,0|0,0,2]=4 132 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [0,1,0,1,0,0|0,0,2]=4 133 B7R1.4 C1COC(=O)C1Br LS40518 [0,1,0,1,0,0|1,0,1]=4 134 B7R1.4 Cc1ccsc1Br LS20654 [0,1,0,1,0,0|2,0,0]=4 135 B7R1.4 Cc1ccsc1Cl LS20652 [0,1,0,1,0,0|2,0,0]=4 136 B7R1.4 Cn1c(ccn1)N LS20177 [0,1,0,1,0,0|2,0,0]=4 137 B7R1.14 C1C=CS(=O)(=O)O1 LS40134 [0,1,0,1,0,0|2,0,0]=4