0 B4R0.1 CC(=O)NN AC-24092 [1,0,0,0,0,0|2,0,0]=3 1 B4R0.1 CC(=O)NO AC-13161 [1,0,0,0,0,0|2,0,0]=3 2 B4R0.1 CNC(N)=S AC-31942 [1,0,0,0,0,0|2,1,0]=4 3 B4R0.1 NC(=O)CBr AC-13350 [1,0,0,0,0,0|2,0,1]=4 4 B4R0.1 NCC(N)=O AC-16143 [1,0,0,0,0,0|2,0,1]=4 5 B4R0.1 NCC(N)=O AC-65789 [1,0,0,0,0,0|2,0,1]=4 6 B4R0.1 O=C(O)CO AC-77042 [1,0,0,0,0,0|1,0,1]=3 7 B6R0.1 CCCC(=O)NN AC-19259 [0,1,0,0,0,0|3,0,0]=4 8 B6R0.1 CCOC(=O)CN AC-65788 [0,1,0,0,0,0|1,0,1]=3 9 B6R0.1 CCOC(=O)CO AC-76790 [0,1,0,0,0,0|1,0,1]=3 10 B6R0.1 CCOC(=O)NN AC-12613 [0,1,0,0,0,0|2,0,0]=3 11 B6R0.1 CNC(=O)CC#N AC-41874 [0,1,0,0,0,0|1,0,2]=4 12 B6R0.1 COC(=O)CCS AC-74164 [0,1,0,0,0,0|0,0,2]=3 13 B6R0.1 COCC(=O)NN AC-48684 [0,1,0,0,0,0|2,0,0]=3 14 B6R0.3 CN(C)C(=O)CN AC-80965 [0,1,0,0,0,0|2,0,1]=4 15 B6R0.3 COC(=O)C(C)N AC-10325 [0,1,0,0,0,0|0,0,2]=3 16 B6R0.3 COC(=O)[C@H](C)O AC-16717 [0,1,0,0,0,0|0,0,2]=3 17 B6R0.3 O=C(O)C(=O)CBr AC-66963 [0,1,0,0,0,0|3,0,0]=4 18 B6R1.2 BrC1=CC=CS1 AC-13542 [0,0,0,1,0,0|1,1,1]=4 19 B6R1.2 BrC1=CC=NN1 AC-77336 [0,0,0,1,0,0|3,0,0]=4 20 B6R1.2 BrC1=CCCC1 AC-37861 [0,0,0,1,0,0|2,0,1]=4 21 B6R1.2 BrC1=COC=C1 AC-76818 [0,0,0,1,0,0|3,0,0]=4 22 B6R1.2 BrC1=CSC=C1 AC-13152 [0,0,0,1,0,0|3,0,0]=4 23 B6R1.2 BrC1=NNC=C1 AC-25466 [0,0,0,1,0,0|3,0,0]=4 24 B6R1.2 BrC1=NOC=C1 AC-44673 [0,0,0,1,0,0|3,0,0]=4 25 B6R1.2 BrC1=NSC=C1 AC-33995 [0,0,0,1,0,0|3,0,0]=4 26 B6R1.2 CC1=CC=CN1 AC-76876 [0,0,0,1,0,0|2,0,1]=4 27 B6R1.2 CC1=CC=CS1 AC-13544 [0,0,0,1,0,0|1,1,1]=4 28 B6R1.2 CC1=CC=NO1 AC-61136 [0,0,0,1,0,0|2,0,0]=3 29 B6R1.2 CC1=CNC=C1 AC-31721 [0,0,0,1,0,0|3,0,0]=4 30 B6R1.2 CC1=CSC=C1 AC-13559 [0,0,0,1,0,0|3,0,0]=4 31 B6R1.2 CC1=NC=CO1 AC-79510 [0,0,0,1,0,0|2,0,1]=4 32 B6R1.2 CC1=NCCO1 AC-82993 [0,0,0,1,0,0|2,0,1]=4 33 B6R1.2 CC1=NNC=C1 AC-31436 [0,0,0,1,0,0|3,0,0]=4 34 B6R1.2 CC1=NOC=C1 AC-79826 [0,0,0,1,0,0|3,0,0]=4 35 B6R1.2 ClC1=CC=NN1 AC-81136 [0,0,0,1,0,0|3,0,0]=4 36 B6R1.2 ClC1=CSC=C1 AC-13557 [0,0,0,1,0,0|3,0,0]=4 37 B6R1.2 FC1=CC=NN1 AC-88376 [0,0,0,1,0,0|3,0,0]=4 38 B6R1.2 IC1=CC=CS1 AC-13543 [0,0,0,1,0,0|1,1,1]=4 39 B6R1.2 IC1=CC=NN1 AC-77422 [0,0,0,1,0,0|3,0,0]=4 40 B6R1.2 NC1=CC=CS1 AC-84538 [0,0,0,1,0,0|1,1,1]=4 41 B6R1.2 NC1=CC=CS1 AC-87247 [0,0,0,1,0,0|1,1,1]=4 42 B6R1.2 NC1=CC=NN1 AC-75921 [0,0,0,1,0,0|3,0,0]=4 43 B6R1.2 NC1=CC=NO1 AC-30090 [0,0,0,1,0,0|2,0,0]=3 44 B6R1.2 NC1=CC=NS1 AC-82048 [0,0,0,1,0,0|2,1,0]=4 45 B6R1.2 NC1=COC=C1 AC-86478 [0,0,0,1,0,0|3,0,0]=4 46 B6R1.2 NC1=CSC=C1 AC-46207 [0,0,0,1,0,0|3,0,0]=4 47 B6R1.2 NC1=CSC=C1 AC-81635 [0,0,0,1,0,0|3,0,0]=4 48 B6R1.2 NC1=NC=CO1 AC-40000 [0,0,0,1,0,0|2,0,1]=4 49 B6R1.2 NC1=NNC=C1 AC-12678 [0,0,0,1,0,0|3,0,0]=4 50 B6R1.2 NC1=NOC=C1 AC-15172 [0,0,0,1,0,0|3,0,0]=4 51 B6R1.2 O=C1CC=CC1 AC-37498 [0,0,0,1,0,0|1,0,2]=4 52 B6R1.2 O=C1CCNC1 AC-22267 [0,0,0,1,0,0|2,0,1]=4 53 B6R1.2 O=C1CCOC1 AC-39237 [0,0,0,1,0,0|2,0,1]=4 54 B6R1.2 O=C1CNCN1 AC-81166 [0,0,0,1,0,0|2,0,1]=4 55 B6R1.2 O=C1NCCN1 AC-81031 [0,0,0,1,0,0|2,0,1]=4 56 B6R1.2 O=C1NCCS1 AC-76781 [0,0,0,1,0,0|1,1,1]=4 57 B6R1.2 O=C1OCCO1 AC-76852 [0,0,0,1,0,0|1,0,1]=3 58 B6R1.2 OC1=CSC=C1 AC-80187 [0,0,0,1,0,0|2,0,1]=4 59 B5R0.5 CC(S)C(=O)O AC-65008 [1,1,0,0,0,0|0,0,2]=4 60 B5R0.5 C[C@@H](N)C(N)=O AC-77271 [1,1,0,0,0,0|2,0,0]=4 61 B5R0.5 C[C@H](N)C(=O)O AC-77155 [1,1,0,0,0,0|0,0,2]=4 62 B5R0.5 C[C@H](N)C(N)=O AC-11061 [1,1,0,0,0,0|2,0,0]=4 63 B5R0.5 O=C(O)C(F)F AC-18400 [1,1,0,0,0,0|1,0,1]=4 64 B7R0.2 COC(=O)C[C@@H](C)O AC-45412 [0,2,0,0,0,0|0,0,2]=4 65 B7R0.2 COC(=O)C[C@H](C)N AC-85773 [0,2,0,0,0,0|0,0,2]=4 66 B7R0.2 COC(=O)\C=C(\C)N AC-76771 [0,2,0,0,0,0|0,0,0]=2 67 B7R0.3 COC(=O)CCCN AC-34788 [0,2,0,0,0,0|0,0,2]=4 68 B7R0.5 CCOC(=O)C(F)F AC-20217 [0,2,0,0,0,0|1,0,1]=4 69 B7R0.5 CCOC(=O)[C@@H](C)N AC-76925 [0,2,0,0,0,0|0,0,2]=4 70 B7R0.5 CCOC(=O)[C@@H](C)O AC-79265 [0,2,0,0,0,0|0,0,2]=4 71 B7R0.7 CCCC(=O)OCCl AC-74037 [0,2,0,0,0,0|0,0,2]=4 72 B7R0.7 CCOC(=O)CCN AC-28868 [0,2,0,0,0,0|0,0,2]=4 73 B7R0.7 CCOC(=O)CCS AC-74165 [0,2,0,0,0,0|0,0,2]=4 74 B7R0.7 CCOC(=O)CNC AC-66254 [0,2,0,0,0,0|0,0,2]=4 75 B7R0.7 CCOC(=O)CNN AC-53410 [0,2,0,0,0,0|1,0,1]=4 76 B7R0.10 C=C(CBr)C(=O)OC AC-13327 [0,2,0,0,0,0|0,0,0]=2 77 B7R0.10 CCC(Br)C(=O)OC AC-76789 [0,2,0,0,0,0|0,0,2]=4 78 B7R0.10 COC(=O)C(N)CO AC-16201 [0,2,0,0,0,0|0,0,2]=4 79 B7R0.10 COC(=O)[C@@H](N)CN AC-60857 [0,2,0,0,0,0|0,0,2]=4 80 B7R0.10 COC(=O)[C@@H](N)CS AC-17049 [0,2,0,0,0,0|0,0,2]=4 81 B7R0.10 COC(=O)[C@H](N)CO AC-21878 [0,2,0,0,0,0|0,0,2]=4 82 B7R0.10 CON(C)C(=O)CCl AC-35202 [0,2,0,0,0,0|1,0,1]=4 83 B7R0.14 COC(=O)C(C)(C)N AC-22699 [0,2,0,0,0,0|0,0,2]=4 84 B7R0.14 COC(=O)C(C)(C)O AC-15308 [0,2,0,0,0,0|0,0,2]=4 85 B7R0.16 CN(C)C(=O)C(=O)O AC-28511 [0,2,0,0,0,0|2,0,0]=4 86 B5R1.2 O=C1CSC1 AC-80488 [1,0,0,1,0,0|1,0,1]=4 87 B5R1.1 C1=CCNC1 AC-93805 [1,0,0,1,0,0|1,0,1]=4 88 B5R1.1 C1=CNN=C1 AC-14505 [1,0,0,1,0,0|2,0,0]=4 89 B5R1.1 C1=COCC1 AC-74091 [1,0,0,1,0,0|0,0,1]=3 90 B5R1.1 C1=C[CH-]C=C1 AC-74053 [1,0,0,1,0,0|1,0,1]=4 91 B7R1.1 BrCC1=CC=CO1 AC-83854 [0,1,0,1,0,0|1,0,1]=4 92 B7R1.1 CCC1=NC=CN1 AC-76773 [0,1,0,1,0,0|2,0,0]=4 93 B7R1.1 CCC1=NC=CS1 AC-29297 [0,1,0,1,0,0|1,1,0]=4 94 B7R1.1 CNC1=NC=CS1 AC-80039 [0,1,0,1,0,0|1,1,0]=4 95 B7R1.1 COC1=NC=CS1 AC-13529 [0,1,0,1,0,0|0,1,0]=3 96 B7R1.1 N#CC1=CC=NO1 AC-81006 [0,1,0,1,0,0|2,0,0]=4 97 B7R1.1 NCC1=CC=NO1 AC-34902 [0,1,0,1,0,0|2,0,0]=4 98 B7R1.1 NCC1=CC=NO1 AC-82629 [0,1,0,1,0,0|2,0,0]=4 99 B7R1.1 O=CC1=CC=CS1 AC-61053 [0,1,0,1,0,0|0,1,1]=4 100 B7R1.1 O=CC1=CC=NN1 AC-80397 [0,1,0,1,0,0|2,0,0]=4 101 B7R1.1 O=CC1=CC=NO1 AC-42863 [0,1,0,1,0,0|1,0,0]=3 102 B7R1.1 O=CC1=CCCC1 AC-80756 [0,1,0,1,0,0|1,0,1]=4 103 B7R1.1 O=CC1=CNC=C1 AC-63694 [0,1,0,1,0,0|2,0,0]=4 104 B7R1.1 O=CC1=COC=C1 AC-61908 [0,1,0,1,0,0|2,0,0]=4 105 B7R1.1 O=CC1=CSC=C1 AC-13155 [0,1,0,1,0,0|2,0,0]=4 106 B7R1.1 O=CC1=NNC=C1 AC-40933 [0,1,0,1,0,0|2,0,0]=4 107 B7R1.1 O=CC1=NNC=C1 AC-94677 [0,1,0,1,0,0|2,0,0]=4 108 B7R1.1 OCC1=CC=NO1 AC-80699 [0,1,0,1,0,0|1,0,1]=4 109 B7R1.2 CC1=CC(=O)CO1 AC-85907 [0,1,0,1,0,0|1,0,0]=3 110 B7R1.2 CC1=CC(=O)NN1 AC-13387 [0,1,0,1,0,0|2,0,0]=4 111 B7R1.2 CC1=CC(Br)=NO1 AC-33149 [0,1,0,1,0,0|2,0,0]=4 112 B7R1.2 CC1=CC(C)=NO1 AC-13649 [0,1,0,1,0,0|2,0,0]=4 113 B7R1.2 CC1=CC(N)=NO1 AC-32674 [0,1,0,1,0,0|2,0,0]=4 114 B7R1.2 CC1=CC(O)=NO1 AC-58257 [0,1,0,1,0,0|2,0,0]=4 115 B7R1.2 CC1=CC=C(Br)O1 AC-81494 [0,1,0,1,0,0|1,0,0]=3 116 B7R1.2 CC1=CC=C(Br)S1 AC-13561 [0,1,0,1,0,0|1,1,0]=4 117 B7R1.2 CC1=CN=C(N)O1 AC-41470 [0,1,0,1,0,0|2,0,0]=4 118 B7R1.2 CC1=CSC(=O)N1 AC-93701 [0,1,0,1,0,0|2,0,0]=4 119 B7R1.2 CC1=NN(C)C=C1 AC-28547 [0,1,0,1,0,0|2,0,0]=4 120 B7R1.2 CC1=NOC(Br)=C1 AC-33145 [0,1,0,1,0,0|2,0,0]=4 121 B7R1.2 CN1C=CC(=O)N1 AC-82045 [0,1,0,1,0,0|1,0,0]=3 122 B7R1.2 CN1C=CC(Br)=N1 AC-40821 [0,1,0,1,0,0|2,0,0]=4 123 B7R1.2 CN1C=CC(N)=C1 AC-80610 [0,1,0,1,0,0|2,0,0]=4 124 B7R1.2 CN1C=CC(N)=C1 AC-81457 [0,1,0,1,0,0|2,0,0]=4 125 B7R1.2 CN1C=CC(N)=N1 AC-22735 [0,1,0,1,0,0|2,0,0]=4 126 B7R1.2 NC1=CC(=O)CC1 AC-76594 [0,1,0,1,0,0|1,0,0]=3 127 B7R1.2 NC1=CC(=O)CS1 AC-86021 [0,1,0,1,0,0|1,1,0]=4 128 B7R1.2 NC1=CC(=O)NN1 AC-76578 [0,1,0,1,0,0|2,0,0]=4 129 B7R1.2 O=C1C=C(Cl)SN1 AC-72177 [0,1,0,1,0,0|2,0,0]=4 130 B7R1.2 O=C1C=C(O)CC1 AC-53397 [0,1,0,1,0,0|1,0,0]=3 131 B7R1.2 O=C1C=C(O)CO1 AC-65559 [0,1,0,1,0,0|0,0,0]=2 132 B7R1.2 O=C1C=CC(Br)O1 AC-95636 [0,1,0,1,0,0|0,0,0]=2 133 B7R1.2 O=C1CSC(=O)N1 AC-13374 [0,1,0,1,0,0|1,1,0]=4 134 B7R1.2 O=C1OCC(F)O1 AC-66136 [0,1,0,1,0,0|1,0,1]=4 135 B7R1.3 O=C1C=CCCN1 AC-80994 [0,1,0,1,0,0|1,0,0]=3 136 B7R1.3 O=C1C=CN=CN1 AC-24037 [0,1,0,1,0,0|1,0,1]=4 137 B7R1.3 O=C1C=CNN=C1 AC-88675 [0,1,0,1,0,0|2,0,0]=4 138 B7R1.3 O=C1C=COC=C1 AC-87397 [0,1,0,1,0,0|1,0,1]=4 139 B7R1.4 CC1=C(Br)C=CS1 AC-25294 [0,1,0,1,0,0|2,0,0]=4 140 B7R1.4 CC1=C(Cl)SC=C1 AC-13378 [0,1,0,1,0,0|2,0,0]=4 141 B7R1.4 CC1=C(N)C=NO1 AC-89714 [0,1,0,1,0,0|2,0,0]=4 142 B7R1.4 CC1=C(N)SC=C1 AC-85843 [0,1,0,1,0,0|2,0,0]=4 143 B7R1.4 CC1=C(N)SC=C1 AC-89988 [0,1,0,1,0,0|2,0,0]=4 144 B7R1.4 CC1=CC=NN1C AC-28545 [0,1,0,1,0,0|2,0,0]=4 145 B7R1.4 CC1=NC=CN1C AC-23425 [0,1,0,1,0,0|2,0,0]=4 146 B7R1.4 CN1C=CN=C1Br AC-34274 [0,1,0,1,0,0|2,0,0]=4 147 B7R1.4 CN1C=CN=C1Cl AC-17447 [0,1,0,1,0,0|2,0,0]=4 148 B7R1.4 CN1C=CN=C1I AC-23780 [0,1,0,1,0,0|2,0,0]=4 149 B7R1.4 CN1C=CN=C1S AC-75220 [0,1,0,1,0,0|1,1,0]=4 150 B7R1.4 CN1C=NC=C1Br AC-25216 [0,1,0,1,0,0|2,0,0]=4 151 B7R1.4 CN1C=NC=C1Cl AC-14083 [0,1,0,1,0,0|2,0,0]=4 152 B7R1.4 CN1C=NC=C1I AC-21226 [0,1,0,1,0,0|2,0,0]=4 153 B7R1.4 CN1N=CC=C1N AC-12728 [0,1,0,1,0,0|2,0,0]=4 154 B7R1.4 CN1N=CC=C1O AC-72736 [0,1,0,1,0,0|1,0,1]=4 155 B7R1.4 CN1N=CC=C1O AC-95910 [0,1,0,1,0,0|1,0,1]=4 156 B7R1.4 NC1CONC1=O AC-79375 [0,1,0,1,0,0|1,0,1]=4 157 B7R1.4 N[C@H]1CCOC1=O AC-59650 [0,1,0,1,0,0|0,0,2]=4 158 B7R1.4 O=C1CCC=C1O AC-79761 [0,1,0,1,0,0|1,0,0]=3 159 B7R1.4 O=C1CCNC1=O AC-91977 [0,1,0,1,0,0|1,0,1]=4 160 B7R1.4 O=C1OCC=C1Br AC-89416 [0,1,0,1,0,0|0,0,0]=2 161 B7R1.14 O=S1(=O)C=CCO1 AC-77381 [0,1,0,1,0,0|1,0,0]=3