0 B6R0.2 CC(=CC(=O)N)N DA-24318 [0,0,0,0,0,0|2,0,2]=4 1 B6R0.2 CC(CN(C)C)N DA-46451 [0,0,0,0,0,0|2,0,1]=3 2 B6R0.2 C\C(=C\C(=O)C)\[O-] DA-34907 [0,0,0,0,0,0|1,0,2]=3 3 B5R0.1 C(C(=O)O)NN DA-26159 [1,0,0,0,0,0|3,0,0]=4 4 B5R0.1 CC#CC(C)O DA-23259 [1,0,0,0,0,0|1,0,2]=4 5 B5R0.1 CC(=O)CCN DA-21357 [1,0,0,0,0,0|1,0,0]=2 6 B5R0.1 CC(C)C#CO DA-23402 [1,0,0,0,0,0|0,0,3]=4 7 B5R0.1 CC(C)CC#C DA-39164 [1,0,0,0,0,0|0,0,2]=3 8 B5R0.1 CCCC(C)N DA-25725 [1,0,0,0,0,0|1,0,1]=3 9 B5R0.1 CN(C)CC=O DA-27712 [1,0,0,0,0,0|1,0,0]=2 10 B5R0.1 CN(C)CC=O DA-27713 [1,0,0,0,0,0|1,0,0]=2 11 B5R0.1 CN(C)CC=O DA-27714 [1,0,0,0,0,0|1,0,0]=2 12 B5R0.1 C\C(=C/C=O)\Br DA-32109 [1,0,0,0,0,0|1,0,2]=4 13 B7R0.2 CC(=O)NC(=O)CCl DA-43520 [0,1,0,0,0,0|2,0,1]=4 14 B7R0.2 CC(=S)CC(=O)CCl DA-29563 [0,1,0,0,0,0|1,0,1]=3 15 B7R0.2 CC(C)CC(=O)C=O DA-39138 [0,1,0,0,0,0|0,0,1]=2 16 B7R0.2 CC(C)CC(=O)CBr DA-29611 [0,1,0,0,0,0|0,0,0]=1 17 B7R0.2 CC(C)CC(C#C)O DA-37159 [0,1,0,0,0,0|0,0,3]=4 18 B7R0.2 CCC(C)NC(C)C DA-42747 [0,1,0,0,0,0|2,0,1]=4 19 B7R0.2 COC(=O)CC(=S)N DA-32774 [0,1,0,0,0,0|2,0,1]=4 20 B7R0.9 CC(C)CS(=O)(=O)N DA-25947 [0,1,0,0,0,0|2,0,0]=3 21 B7R0.16 CC(=C(N(C)C)Cl)C DA-29502 [0,1,0,0,0,0|2,0,1]=4 22 B7R0.16 CC(=O)C(=O)N(C)C DA-43378 [0,1,0,0,0,0|1,0,1]=3 23 B7R0.16 CC(C)C(=O)C(C)Br DA-26835 [0,1,0,0,0,0|1,0,2]=4 24 B7R1.2 C1C(C=CC1=O)O DA-39357 [0,0,0,1,0,0|1,0,2]=4 25 B7R1.2 CC1CC(=O)NN1 DA-37107 [0,0,0,1,0,0|2,0,0]=3 26 B7R1.12 C=C1CC1C(=O)O DA-25803 [0,0,0,1,0,0|1,0,2]=4 27 B7R1.12 CC1CC1C(=O)N DA-25804 [0,0,0,1,0,0|1,0,0]=2 28 B7R1.16 CC1(CC(C1)N)C DA-24793 [0,0,0,1,0,0|1,0,1]=3 29 B7R1.20 C1CC1NC(=O)Cl DA-41779 [0,0,0,1,0,0|2,0,0]=3 30 B7R1.20 CC(=O)NC1CC1 DA-42871 [0,0,0,1,0,0|1,0,0]=2 31 B7R1.20 CC(C)NC1CC1 DA-41542 [0,0,0,1,0,0|2,0,1]=4 32 B5R0.5 CC(C)C(=N)N DA-25790 [0,0,0,0,1,0|2,0,0]=3 33 B7R0.6 CC(C#CC(=O)O)O DA-41638 [0,0,0,0,0,1|2,0,1]=4 34 B7R0.6 CC(C)NCC(=O)N DA-27667 [0,0,0,0,0,1|1,0,0]=2 35 B7R0.6 CC(CCC(=O)O)I DA-41244 [0,0,0,0,0,1|2,0,0]=3 36 B4R0.2 CSCCI DA-47993 [2,0,0,0,0,0|2,0,0]=4 37 B6R0.1 CC(CC=C)C=O DA-25871 [1,1,0,0,0,0|0,0,2]=4 38 B6R0.1 CCC(C)CCCl DA-29559 [1,1,0,0,0,0|1,0,1]=4 39 B6R0.1 CCNC(=O)OC DA-41968 [1,1,0,0,0,0|1,0,0]=3 40 B6R0.1 CCNC(C)CO DA-27702 [1,1,0,0,0,0|1,0,1]=4 41 B6R0.1 CCOC(C)C=O DA-26268 [1,1,0,0,0,0|1,0,1]=4 42 B6R0.1 COC(=O)CC#C DA-23882 [1,1,0,0,0,0|0,0,2]=4 43 B6R0.1 COCC(=N)OC DA-32949 [1,1,0,0,0,0|2,0,0]=4 44 B6R0.1 COCC(CBr)O DA-29655 [1,1,0,0,0,0|2,0,0]=4 45 B6R0.3 CC(C)C(CN)N DA-23404 [1,1,0,0,0,0|1,0,1]=4 46 B6R0.3 CCC(C(=O)N)Cl DA-26397 [1,1,0,0,0,0|1,0,0]=3 47 B6R0.3 CCC(C)C(C)N DA-23377 [1,1,0,0,0,0|1,0,1]=4 48 B6R0.4 C=CCCC(=O)Cl DA-39003 [1,1,0,0,0,0|1,0,1]=4 49 B6R0.4 CC(=C)CCC#N DA-39108 [1,1,0,0,0,0|1,0,1]=4 50 B6R0.4 CC(=C)CCC=O DA-39109 [1,1,0,0,0,0|0,0,2]=4 51 B6R0.4 CC(=O)OCC=O DA-27942 [1,1,0,0,0,0|1,0,1]=4 52 B6R0.4 CC(C)CCCCl DA-29542 [1,1,0,0,0,0|0,0,1]=3 53 B6R0.4 CC(C)NCCCl DA-41865 [1,1,0,0,0,0|1,0,1]=4 54 B6R0.5 CC#CC(C)(C)N DA-28906 [1,1,0,0,0,0|0,0,2]=4 55 B6R0.5 CC(C)(CCO)N DA-25577 [1,1,0,0,0,0|0,0,2]=4 56 B6R0.7 CC(C)(C)C(=N)N DA-27472 [0,1,0,0,1,0|2,0,0]=4 57 B8R0.9 CC(=O)OCC(=O)CCl DA-30738 [0,1,0,0,0,1|1,0,1]=4 58 B8R0.9 CC(=O)OCC(CCl)O DA-23853 [0,1,0,0,0,1|1,0,0]=3 59 B8R0.9 CC(C)CCC(=O)CBr DA-29606 [0,1,0,0,0,1|0,0,0]=2 60 B8R0.9 CC(C)NNC(=O)OC DA-28771 [0,1,0,0,0,1|1,0,0]=3 61 B8R0.9 CC(CCC(=O)O)C=C DA-39098 [0,1,0,0,0,1|1,0,1]=4 62 B8R0.9 CC(CCC(=O)OC)I DA-40744 [0,1,0,0,0,1|1,0,0]=3 63 B8R0.9 CC(CN)CNC(=O)C DA-45920 [0,1,0,0,0,1|0,0,0]=2 64 B8R0.9 CC(CNC(=S)SC)O DA-32958 [0,1,0,0,0,1|1,1,0]=4 65 B8R0.9 CCC(=O)NCC(C)C DA-42026 [0,1,0,0,0,1|0,0,0]=2 66 B8R0.9 CCC(C)COC(=O)Cl DA-25809 [0,1,0,0,0,1|1,0,0]=3 67 B8R0.23 CC(C)CC(=O)C(=O)C DA-37135 [0,1,0,0,0,1|0,0,0]=2 68 B8R0.29 CC(C)(C#CC(=O)O)O DA-42273 [0,1,0,0,0,1|1,0,1]=4 69 B8R0.29 C[Si](C)(C)CCC(=O)O DA-24836 [0,1,0,0,0,1|1,1,0]=4 70 B8R0.2 CC(C(=O)C(=O)OC)Br DA-32725 [0,2,0,0,0,0|1,0,1]=4 71 B8R0.2 CC(C)N(C)C(=O)CBr DA-26727 [0,2,0,0,0,0|1,0,0]=3 72 B8R0.5 CC(C)OC(=O)COC DA-33490 [0,2,0,0,0,0|1,0,0]=3 73 B8R0.5 CC(CC=O)C[N+](=O)[O-] DA-23354 [0,2,0,0,0,0|2,0,0]=4 74 B8R0.5 CCOC(=O)CN(C)N DA-34609 [0,2,0,0,0,0|2,0,0]=4 75 B8R0.16 CC(CC(OC)OC)O DA-22092 [0,2,0,0,0,0|0,0,2]=4 76 B8R0.16 CCC(CN)NC(=O)C DA-45904 [0,2,0,0,0,0|1,0,0]=3 77 B8R0.16 CN(C)CC(CN)CN DA-27904 [0,2,0,0,0,0|2,0,0]=4 78 B8R0.19 CC(CC(=O)OC)CBr DA-23140 [0,2,0,0,0,0|0,0,0]=2 79 B8R0.19 CNC(=O)CC(=O)OC DA-32818 [0,2,0,0,0,0|1,0,1]=4 80 B8R0.34 CC(=O)NC(C)(C)CN DA-43982 [0,2,0,0,0,0|1,0,0]=3 81 B8R0.34 CC(C)(CC(=O)O)C=O DA-23594 [0,2,0,0,0,0|1,0,0]=3 82 B8R0.33 CC(C)(C)NS(=O)(=O)C DA-43070 [0,2,0,0,0,0|2,0,0]=4 83 B8R0.18 CC(C)C(C=C)C(=O)O DA-26051 [0,2,0,0,0,0|1,0,0]=3 84 B8R0.37 CC(C(C)(C)C(=O)O)O DA-23572 [0,2,0,0,0,0|2,0,0]=4 85 B8R0.37 CC([C@](C)(C(=O)O)N)O DA-25540 [0,2,0,0,0,0|2,0,0]=4 86 B6R1.2 CC1=NNCC1 DA-22085 [1,0,0,1,0,0|2,0,0]=4 87 B6R1.3 C1CC1CCI DA-32105 [1,0,0,1,0,0|1,0,1]=4 88 B6R1.8 C=C1CC1CBr DA-30696 [1,0,0,1,0,0|2,0,0]=4 89 B6R1.10 CC1(CCC1)O DA-29143 [1,0,0,1,0,0|0,0,2]=4 90 B6R1.4 CC1CNC1=O DA-23380 [0,0,0,1,1,0|1,0,0]=3 91 B8R1.3 CC1=CCC(CC1)N DA-42007 [0,0,0,1,0,1|2,0,0]=4 92 B8R1.3 CC1CCN(CC1)O DA-29314 [0,0,0,1,0,1|1,0,1]=4 93 B8R1.3 CC1CNC(=O)CO1 DA-36000 [0,0,0,1,0,1|1,0,0]=3 94 B8R1.23 CC(C)C1CC(=O)N1 DA-39277 [0,0,0,1,0,1|0,0,0]=2 95 B8R1.35 C1CC1C#CC(=O)O DA-41532 [0,0,0,1,0,1|1,0,1]=4 96 B8R1.35 C1CC1COC(=O)Cl DA-34925 [0,0,0,1,0,1|1,0,0]=3 97 B8R1.35 CC(=O)C#CC1CC1 DA-39480 [0,0,0,1,0,1|0,0,1]=3 98 B8R1.35 CC(C)CNC1CC1 DA-43252 [0,0,0,1,0,1|1,0,1]=4 99 B8R1.35 CC(C)CNC1CC1 DA-48333 [0,0,0,1,0,1|1,0,1]=4 100 B8R1.51 CC1(CCC(=O)C1)C DA-24789 [0,0,0,1,0,1|0,0,0]=2 101 B8R1.51 CC1(COC(=N1)Br)C DA-28943 [0,0,0,1,0,1|2,0,0]=4 102 B8R1.1 C1C(COC1=O)CO DA-34846 [0,1,0,1,0,0|1,0,0]=3 103 B8R1.1 CC1=NOC(C1)CN DA-22084 [0,1,0,1,0,0|2,0,0]=4 104 B8R1.1 CC1CN=C(S1)SC DA-21967 [0,1,0,1,0,0|2,0,0]=4 105 B8R1.4 CC1CCCC(=O)O1 DA-41276 [0,1,0,1,0,0|1,0,0]=3 106 B8R1.4 CN1CCCC(=O)C1 DA-29192 [0,1,0,1,0,0|1,0,0]=3 107 B8R1.4 C[C@@H]1C[C@@H](CNC1)C DA-34969 [0,1,0,1,0,0|1,0,1]=4 108 B8R1.18 CN1CC(CC1=O)N DA-21489 [0,1,0,1,0,0|1,0,0]=3 109 B8R1.34 CC(=O)CC1COC1 DA-31152 [0,1,0,1,0,0|0,0,0]=2 110 B8R1.43 C1C(C1C(=O)O)C=O DA-26190 [0,1,0,1,0,0|1,0,1]=4 111 B8R1.62 CC1(CC(=C)C1)C#N DA-29200 [0,1,0,1,0,0|1,0,1]=4 112 B8R1.62 CC1(CC(=O)N1)C=C DA-39470 [0,1,0,1,0,0|1,0,1]=4 113 B8R1.83 CC1C(O1)C(=O)OC DA-32664 [0,1,0,1,0,0|1,0,0]=3 114 B8R2.18 C1C2C1CC(C2)O DA-35031 [0,0,0,2,0,0|0,0,2]=4 115 B8R0.28 CC(C)COCC(=O)O DA-28580 [0,0,0,0,0,2|1,0,0]=3 116 B8R0.28 CN(C)CC#CC(=O)O DA-22226 [0,0,0,0,0,2|2,0,0]=4 117 B8R0.28 CN(C)CC=CC(=O)Cl DA-22227 [0,0,0,0,0,2|2,0,0]=4 118 B8R0.28 CN(C)CC=CC(=O)O DA-39994 [0,0,0,0,0,2|2,0,0]=4