0 B10R1.17 C1C=CCC(=C1)CCCO WX640164 [0,0,0,0,0,0|2,0,2]=4 1 B9R1.8 CNCc1ccccn1 WX600188 [1,0,0,0,0,0|2,0,0]=3 2 B9R1.8 CNCc1cccnc1 WX609032 [1,0,0,0,0,0|2,0,0]=3 3 B9R1.8 CNCc1ccncc1 WX603083 [1,0,0,0,0,0|2,0,0]=3 4 B9R1.8 CNCc1ncccn1 WX603029 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.8 CNCc1ncccn1 WX603127 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.8 CNCc1ncccn1 WXC02264 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.8 c1cc(cnc1)CC#N WX683086 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.8 c1cc(cnc1)CNN WX684003 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.8 c1ccnc(c1)CCN WX600199 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.1 C=CCOc1ccc(cc1)Br WX685004 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.1 CCCOc1ccc(cc1)N WX602189 [0,1,0,0,0,0|2,0,0]=3 12 B11R1.1 Cc1ccc(cn1)CCCN WX607125 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.1 c1cc(ccc1CCCO)Cl WX640063 [0,1,0,0,0,0|2,0,0]=3 14 B11R1.1 c1cc(ccc1N)NCCO WX602194 [0,1,0,0,0,0|3,0,0]=4 15 B11R1.1 c1cc(ccc1N)OCCCl WX630054 [0,1,0,0,0,0|3,0,0]=4 16 B11R1.1 c1cc(ccc1OCCN)Cl WX609534 [0,1,0,0,0,0|3,0,0]=4 17 B11R1.16 c1ccc(cc1)C(=O)CC#N WX683081 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.17 Cc1ccccc1OCCBr WX630295 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.17 Cc1cccnc1CCCN WX607127 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.24 COCOc1cccc(c1)F WX635005 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.24 Cc1ccnc(c1)CCCN WX607132 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.24 c1cc(cc(c1)Br)OCCN WX600218 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.24 c1cc(cc(c1)F)CCCBr WX630249 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.24 c1cc(cc(c1)F)OCCBr WX630287 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.28 c1ccc(cc1)CNCC#N WXC04002 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.28 c1ccc(cc1)COCCN WXC01524 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.40 c1ccc(cc1)C\C(=N/O)\N WX690150 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.91 c1ccc(cc1)CC[N+](=O)[O-] WXC02076 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.91 c1ccc(cc1)NCC(=O)N WX602022 [0,1,0,0,0,0|3,0,0]=4 30 B11R2.1 Cn1c2ccccc2cn1 WX690064 [0,0,0,1,0,0|2,0,1]=4 31 B11R2.1 c1cc2c(nc1)C(=O)CC2 WX626094 [0,0,0,1,0,0|3,0,0]=4 32 B11R2.1 c1ccc2c(c1)CCC2O WX649087 [0,0,0,1,0,0|2,0,0]=3 33 B11R2.1 c1ccc2c(c1)CNC2=O WX619030 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.20 c1cc2c(nc1)NCCC2 WX606071 [0,0,0,1,0,0|3,0,0]=4 35 B11R2.20 c1ccc2c(c1)NCCN2 WX602061 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.20 c1ccc2c(c1)NCCO2 WX604070 [0,0,0,1,0,0|3,0,0]=4 37 B11R2.20 c1ccc2c(c1)NCCS2 WX602054 [0,0,0,1,0,0|3,0,0]=4 38 B8R1.2 CNc1cccnc1 WX609454 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.2 c1cc(cnc1)CO WX640285 [2,0,0,0,0,0|1,0,0]=3 40 B8R1.2 c1ccnc(c1)CO WX640282 [2,0,0,0,0,0|1,0,0]=3 41 B8R1.2 c1cnc(cn1)CO WX640335 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.2 c1cnc(nc1)CO WX640112 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 c1cnc(nc1)CO WXC04758 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 c1cnccc1CO WX640289 [2,0,0,0,0,0|1,0,0]=3 45 B8R1.2 c1cncnc1CO WX640254 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.1 CCOc1ccc(nc1)Br WX637261 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.1 COCc1cnc(nc1)Cl WXC00706 [1,1,0,0,0,0|2,0,0]=4 48 B10R1.1 c1c(cnc(n1)CCO)O WX649071 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.1 c1cc(ccc1CC#N)I WX634021 [1,1,0,0,0,0|1,0,1]=4 50 B10R1.1 c1cc(ccc1CNN)Cl WXC03194 [1,1,0,0,0,0|2,0,0]=4 51 B10R1.1 c1cc(ccc1\C=N\O)Cl WX632026 [1,1,0,0,0,0|1,0,1]=4 52 B10R1.4 c1ccc(c(c1)CNN)Cl WXC03184 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.4 c1ccc(c(c1)\C=N\O)Br WX633099 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.10 CCOc1cc(ccn1)Cl WXC04143 [1,1,0,0,0,0|2,0,0]=4 55 B10R1.10 CCOc1cccc(n1)Br WX633197 [1,1,0,0,0,0|2,0,0]=4 56 B10R1.10 CNCc1cccc(c1)O WX600071 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.10 CSCc1cccc(c1)Br WX633087 [1,1,0,0,0,0|0,1,0]=3 58 B10R1.15 C[C@H](CN)c1ccccc1 WX600102 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.15 N=C(\c1ccccc1)/OC WXC04573 [1,1,0,0,0,0|0,0,1]=3 60 B10R1.15 c1ccc(cc1)C(=O)CF WXFC0145 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.15 c1ccc(cc1)[C@@H](CF)N WXFC0133 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.15 c1ccc(cc1)[C@H](CF)N WXFC0134 [1,1,0,0,0,0|1,0,0]=3 63 B10R1.15 c1ccc(cc1)\C(=N\O)\N WX690132 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.18 c1ccc(cc1)CC(=S)N WX619929 [1,1,0,0,0,0|0,1,1]=4 65 B10R1.27 COC(=O)Cc1ccsc1 WXC02001 [0,1,0,0,1,0|1,0,1]=4 66 B12R1.1 COCCOc1ccc(cc1)N WX602123 [0,2,0,0,0,0|0,0,0]=2 67 B12R1.1 c1cc(ccc1SCCCCl)Br WX630038 [0,2,0,0,0,0|2,0,0]=4 68 B12R1.49 CNC(=O)Cc1ccc(cc1)Cl WXC02742 [0,2,0,0,0,0|1,0,1]=4 69 B12R1.49 COC(=O)Cc1ccc(cn1)Br WXC01323 [0,2,0,0,0,0|1,0,1]=4 70 B12R1.125 CC(=O)SCc1ccccc1Cl WXC01340 [0,2,0,0,0,0|2,0,0]=4 71 B12R1.125 c1ccc(c(c1)CCC(=O)O)F WXC03386 [0,2,0,0,0,0|2,0,0]=4 72 B12R1.371 CNC(=O)Cc1ccccc1Br WX633083 [0,2,0,0,0,0|1,0,1]=4 73 B12R1.371 CNC(=O)Cc1ccccc1Cl WXC00239 [0,2,0,0,0,0|1,0,1]=4 74 B12R1.371 COC(=O)Cc1ccccc1N WX602188 [0,2,0,0,0,0|0,0,1]=3 75 B12R1.50 COC(=O)Cc1cccc(c1)Br WX618090 [0,2,0,0,0,0|0,0,1]=3 76 B12R1.50 COC(=O)Nc1cccc(c1)Br WXC03121 [0,2,0,0,0,0|1,0,1]=4 77 B12R1.226 c1cc(cc(c1)O)CCC(=O)O WXC02798 [0,2,0,0,0,0|2,0,0]=4 78 B12R1.8 C=CCCNCc1ccccc1 WXC04551 [0,2,0,0,0,0|1,0,1]=4 79 B12R1.8 c1ccc(cc1)CNCCCO WXC02407 [0,2,0,0,0,0|1,0,0]=3 80 B12R1.32 CCOC(=O)Cc1ccncc1 WXC03059 [0,2,0,0,0,0|1,0,1]=4 81 B12R1.252 CC(C)CNCc1ccccc1 WX600341 [0,2,0,0,0,0|1,0,0]=3 82 B12R1.252 c1ccc(cc1)CNCC(=O)O WX610175 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.252 c1ccc(cc1)NCCC(=O)O WX665022 [0,2,0,0,0,0|2,0,0]=4 84 B10R2.7 c1ccc2c(c1)CNC2 WX604071 [1,0,0,1,0,0|1,0,0]=3 85 B12R2.24 CC1CNc2ccccc2O1 WX602053 [0,1,0,1,0,0|2,0,0]=4 86 B12R2.24 CC1CNc2ccccc2S1 WX604425 [0,1,0,1,0,0|2,0,0]=4 87 B12R2.24 CC1COc2ccccc2N1 WX604081 [0,1,0,1,0,0|2,0,0]=4 88 B12R2.24 CC1CSc2ccccc2N1 WX604182 [0,1,0,1,0,0|2,0,0]=4 89 B12R2.24 Cc1ccc2c(c1)CNCC2 WX604174 [0,1,0,1,0,0|1,0,0]=3 90 B12R2.24 Cc1ccc2c(c1)CNCC2 WX604735 [0,1,0,1,0,0|1,0,0]=3 91 B12R2.24 c1c(cnc2c1COCC2)N WX609077 [0,1,0,1,0,0|1,0,0]=3 92 B12R2.24 c1cc2c(cc1Br)CCNC2 WX604269 [0,1,0,1,0,0|1,0,0]=3 93 B12R2.24 c1cc2c(cc1Br)CCNC2 WX604282 [0,1,0,1,0,0|1,0,0]=3 94 B12R2.24 c1cc2c(cc1Br)CCOC2 WX633002 [0,1,0,1,0,0|0,0,0]=2 95 B12R2.24 c1cc2c(cc1Cl)C=NCC2 WXC02126 [0,1,0,1,0,0|1,0,1]=4 96 B12R2.24 c1ccc2c(c1)CC(=O)OC2 WX690066 [0,1,0,1,0,0|0,0,1]=3 97 B12R2.24 c1ccc2c(c1)CC(CN2)N WX604740 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.24 c1ccc2c(c1)CCC(=O)N2 WX602171 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.132 Cc1ccc2c(c1)C(CC2)O WX642123 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.132 Cc1ccc2c(c1)[C@H](CC2)N WXC03237 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.132 c1cc2c(cc1Br)C(CC2)N WX604358 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.2 c1ccc(cc1)C2CCNC2 WX604689 [0,1,0,1,0,0|1,0,0]=3 103 B12R2.1081 CC1CNCc2c1cccc2 WX604177 [0,1,0,1,0,0|1,0,0]=3 104 B12R2.1081 CC1CNCc2c1cccc2 WX604759 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.1081 CC1c2ccccc2CCN1 WX604078 [0,1,0,1,0,0|1,0,0]=3 106 B12R2.1081 CC1c2ccccc2CCN1 WX604757 [0,1,0,1,0,0|1,0,0]=3 107 B12R2.1081 C[C@@H]1CNCc2c1cccc2 WX604648 [0,1,0,1,0,0|1,0,0]=3 108 B12R2.1081 C[C@H]1CNCc2c1cccc2 WX604647 [0,1,0,1,0,0|1,0,0]=3 109 B12R2.1081 Cc1cccc2c1CCNC2 WX604180 [0,1,0,1,0,0|1,0,0]=3 110 B12R2.1081 Cc1cccc2c1NCCC2 WX604069 [0,1,0,1,0,0|2,0,0]=4 111 B12R2.1081 c1cc2c(c(c1)Br)COCC2 WX633167 [0,1,0,1,0,0|0,0,0]=2 112 B12R2.1081 c1cc2c(c(c1)O)CCNC2 WX604738 [0,1,0,1,0,0|1,0,0]=3 113 B12R2.1081 c1cc2c(nc1)C(CCC2)O WX642062 [0,1,0,1,0,0|2,0,0]=4 114 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 WX604538 [0,1,0,1,0,0|2,0,0]=4 115 B12R2.1081 c1ccc2c(c1)[C@@H](CCO2)N WX604247 [0,1,0,1,0,0|2,0,0]=4 116 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N WX604750 [0,1,0,1,0,0|2,0,0]=4 117 B12R2.1081 c1ccc2c(c1)[C@H](CCO2)N WXC00813 [0,1,0,1,0,0|2,0,0]=4 118 B12R2.196 Cc1cccc2c1CCC2O WX642033 [0,1,0,1,0,0|2,0,0]=4 119 B12R2.196 c1cc2c(c(c1)Br)CCC2=O WX633095 [0,1,0,1,0,0|2,0,0]=4 120 B12R2.203 Cc1cccc2c1C(CC2)O WX642122 [0,1,0,1,0,0|2,0,0]=4 121 B12R2.612 Cc1ccc2c(c1)CCC2O WX642032 [0,1,0,1,0,0|2,0,0]=4 122 B12R2.612 c1cc2c(cc1Br)CCC2O WX633165 [0,1,0,1,0,0|2,0,0]=4 123 B12R2.612 c1cc2c(cc1Br)CC[C@H]2O WX633147 [0,1,0,1,0,0|2,0,0]=4 124 B12R2.1 c1ccc/2c(c1)CC\C2=N/O WX690241 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.2058 c1ccc(cc1)NC2CCC2 WXC03097 [0,1,0,1,0,0|1,0,0]=3 126 B12R2.2403 CC1(CCc2c1cccc2)O WX644012 [0,1,0,1,0,0|1,0,0]=3 127 B8R1.8 c1cc(oc1)CCO WX640320 [1,0,0,0,1,0|1,0,0]=3 128 B8R1.8 c1cc(sc1)CCN WX600201 [1,0,0,0,1,0|2,0,0]=4