0 B11R2.10 C1=CC2=NC(N=C2C=C1)N 270 [0,0,0,0,0,0|3,0,1]=4 1 B11R2.10 Cc1cc2ccccc2[nH]1 2MI [0,0,0,0,0,0|1,0,0]=1 2 B11R2.10 c1ccc2c(c1)CC(C2)N XM0 [0,0,0,0,0,0|2,0,2]=4 3 B11R2.10 c1ccc2c(c1)[nH]c(n2)N AX7 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.10 c1ccc2c(c1)nc(s2)N ABV [0,0,0,0,0,0|2,1,0]=3 5 B10R2.7 c1c[nH]c2c1nccn2 36N [1,0,0,0,0,0|3,0,0]=4 6 B10R2.7 c1cc2c(cc[nH]2)nc1 4JP [1,0,0,0,0,0|2,0,0]=3 7 B10R2.7 c1cc2cc[nH]c2nc1 GVH [1,0,0,0,0,0|2,0,0]=3 8 B10R2.7 c1cc[n+]2cc[nH]c2c1 MPI [1,0,0,0,0,0|2,0,0]=3 9 B10R2.7 c1ccc2c(c1)CC=C2 DEN [1,0,0,0,0,0|1,0,0]=2 10 B10R2.7 c1ccc2c(c1)CCC2 16N [1,0,0,0,0,0|1,0,2]=4 11 B10R2.7 c1ccc2c(c1)CCN2 IDM [1,0,0,0,0,0|1,0,2]=4 12 B10R2.7 c1ccc2c(c1)[nH]cn2 BZI [1,0,0,0,0,0|2,0,0]=3 13 B10R2.7 c1ccc2c(c1)[nH]nn2 0CT [1,0,0,0,0,0|3,0,0]=4 14 B10R2.7 c1ccc2c(c1)cc[nH]2 IND [1,0,0,0,0,0|1,0,0]=2 15 B10R2.7 c1ccc2c(c1)cco2 BZF [1,0,0,0,0,0|0,0,0]=1 16 B10R2.7 c1ccc2c(c1)cn[nH]2 LZ1 [1,0,0,0,0,0|2,0,0]=3 17 B10R2.7 c1ccc2c(c1)cno2 0R1 [1,0,0,0,0,0|1,0,0]=2 18 B10R2.7 c1ccc2c(c1)ncs2 BOT [1,0,0,0,0,0|1,1,0]=3 19 B10R2.7 c1cncc2c1[nH]nc2 PZR [1,0,0,0,0,0|3,0,0]=4 20 B12R2.18 CC1=C2C=COC=C2OC1=O KKN [0,1,0,0,0,0|2,0,0]=3 21 B12R2.18 CN1Cc2ccccc2C1=O 5WV [0,1,0,0,0,0|2,0,0]=3 22 B12R2.18 Cc1c(n2ccccc2n1)N 7W4 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.18 Cn1c2ccccc2nc1N ES7 [0,1,0,0,0,0|3,0,0]=4 24 B12R2.18 c1ccc2c(c1)C(=O)C(=O)N2 ISN [0,1,0,0,0,0|2,0,0]=3 25 B12R2.32 CNc1[nH]c2ccccc2n1 1M2 [0,1,0,0,0,0|2,0,0]=3 26 B12R2.32 c1ccc2c(c1)[nH]c(n2)CO XIY [0,1,0,0,0,0|2,0,0]=3 27 B12R2.32 c1ccc2c(c1)[nH]c(n2)CS 2XO [0,1,0,0,0,0|2,0,0]=3 28 B12R2.32 c1ccc2c(c1)nc(s2)CN 2BG [0,1,0,0,0,0|1,1,0]=3 29 B12R2.202 c1cc2c(c(c1)Cl)nc(s2)N 2D0 [0,1,0,0,0,0|2,1,0]=4 30 B12R2.202 c1cc2c(c(c1)O)[nH]c(n2)N ES0 [0,1,0,0,0,0|3,0,0]=4 31 B12R2.606 Cc1ccc2c(c1)sc(n2)N K2T [0,1,0,0,0,0|2,1,0]=4 32 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 1P8 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.606 c1cc2c(cc1Cl)NC(=O)C2 ES2 [0,1,0,0,0,0|2,0,1]=4 34 B12R2.606 c1cc2c(cc1Cl)NC(=O)O2 CLW [0,1,0,0,0,0|2,0,0]=3 35 B12R2.606 c1cc2c(cc1Cl)NC(=S)O2 5VM [0,1,0,0,0,0|2,0,0]=3 36 B12R2.606 c1cc2c(cc1Cl)[nH]c(n2)N VGD [0,1,0,0,0,0|3,0,0]=4 37 B12R2.606 c1cc2c(cc1Cl)nc(o2)N 36R [0,1,0,0,0,0|2,0,0]=3 38 B12R2.606 c1cc2c(cc1Cl)sc(n2)N 54T [0,1,0,0,0,0|2,1,0]=4 39 B12R2.606 c1cc2c(cc1F)[nH]c(n2)N ET2 [0,1,0,0,0,0|3,0,0]=4 40 B12R2.606 c1cc2c(cc1F)sc(n2)N FBB [0,1,0,0,0,0|2,1,0]=4 41 B12R2.606 c1cc2c(cc1N)sc(n2)N 01U [0,1,0,0,0,0|2,1,0]=4 42 B12R2.606 c1cc2c(cc1O)nc([nH]2)N 172 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.4 C=CCc1ccccc1O 2LP [0,0,1,0,0,0|0,0,2]=3 44 B10R1.4 CCCc1ccccc1N PRY [0,0,1,0,0,0|1,0,2]=4 45 B10R1.4 CCCc1ccccc1O JZ4 [0,0,1,0,0,0|0,0,2]=3 46 B10R1.4 CCOc1ccccc1O 261 [0,0,1,0,0,0|1,0,1]=3 47 B10R1.18 CC(=O)Oc1ccccc1 QY9 [0,0,1,0,0,0|1,0,0]=2 48 B10R1.18 CC(C)Cc1ccccc1 I4B [0,0,1,0,0,0|1,0,2]=4 49 B10R1.18 C[C@@H](Cc1ccccc1)N 1WE [0,0,1,0,0,0|1,0,2]=4 50 B10R1.18 C[C@H](Cc1ccccc1)N FRD [0,0,1,0,0,0|1,0,2]=4 51 B10R1.18 N=C(\N)/Nc1ccccc1 PL0 [0,0,1,0,0,0|3,0,0]=4 52 B10R1.18 c1ccc(cc1)CC(=O)O PAC [0,0,1,0,0,0|1,0,1]=3 53 B10R1.18 c1ccc(cc1)NC(=O)N PHU [0,0,1,0,0,0|2,0,1]=4 54 B10R1.18 c1ccc(cc1)NC(=S)N URS [0,0,1,0,0,0|2,1,0]=4 55 B12R2.24 c1cc2cc(ccc2nc1)N ES5 [0,0,0,0,0,1|3,0,0]=4 56 B12R2.24 c1ccc2c(c1)C=CC(=O)N2 OCH [0,0,0,0,0,1|2,0,0]=3 57 B12R2.24 c1ccc2c(c1)C=CC(=O)O2 COU [0,0,0,0,0,1|1,0,0]=2 58 B12R2.24 c1ccc2c(c1)N=C(CS2)N 4JT [0,0,0,0,0,1|2,0,1]=4 59 B12R2.24 c1ccc2c(c1)cc(cn2)N 4FS [0,0,0,0,0,1|2,0,0]=3 60 B12R2.24 c1ccc2c(c1)ccc(n2)N 2AQ [0,0,0,0,0,1|2,0,0]=3 61 B12R2.24 c1ccc2cc(ccc2c1)O 03V [0,0,0,0,0,1|2,0,0]=3 62 B9R1.8 CCCc1ccccc1 3H0 [1,0,1,0,0,0|0,0,2]=4 63 B9R1.8 CCOc1ccccc1 16Q [1,0,1,0,0,0|0,0,1]=3 64 B9R1.8 CCSc1ccccc1 16M [1,0,1,0,0,0|0,1,1]=4 65 B9R1.8 CNCc1ccccc1 271 [1,0,1,0,0,0|1,0,1]=4 66 B9R1.8 CSCc1ccccc1 PTF [1,0,1,0,0,0|1,0,1]=4 67 B9R1.8 c1ccc(cc1)CC=O HY1 [1,0,1,0,0,0|0,0,2]=4 68 B9R1.8 c1ccc(cc1)CCO PEL [1,0,1,0,0,0|0,0,2]=4 69 B9R1.8 c1ccc(cc1)NC=O FAN [1,0,1,0,0,0|1,0,1]=4 70 B9R1.8 c1ccc(cc1)NC=S 0FI [1,0,1,0,0,0|1,1,0]=4 71 B9R1.15 CCc1ccccc1O JZ1 [1,0,1,0,0,0|0,0,1]=3 72 B9R1.15 COc1ccccc1O JZ3 [1,0,1,0,0,0|1,0,0]=3 73 B9R1.15 C[n+]1ccccc1C=C 286 [1,0,1,0,0,0|2,0,0]=4 74 B9R1.15 c1ccc(c(c1)C#N)O 0R0 [1,0,1,0,0,0|1,0,1]=4 75 B9R1.15 c1ccc(c(c1)C=O)O NK [1,0,1,0,0,0|1,0,0]=3 76 B9R1.15 c1ccc(c(c1)CO)O SA9 [1,0,1,0,0,0|1,0,1]=4 77 B11R1.13 Cc1cccc(c1O)CC=C LYL [0,1,1,0,0,0|0,0,2]=4 78 B11R1.86 c1ccc(c(c1)CC(=O)O)O OHP [0,1,1,0,0,0|1,0,1]=4 79 B11R1.222 CNC(=O)c1ccccc1I N1M [0,1,1,0,0,0|2,0,0]=4 80 B11R1.222 c1ccc(c(c1)C(=O)NO)O SHA [0,1,1,0,0,0|2,0,0]=4 81 B11R1.20 CC(=O)Nc1ccc(cc1)O NNS [0,1,1,0,0,0|1,0,1]=4 82 B11R1.20 CC(=O)Nc1ccc(cc1)O TYL [0,1,1,0,0,0|1,0,1]=4 83 B11R1.20 c1cc(ccc1CC(=O)O)O 4HP [0,1,1,0,0,0|1,0,1]=4 84 B11R1.36 C[C@H](c1ccccc1)C(=O)O GRO [0,1,1,0,0,0|1,0,1]=4 85 B11R1.36 c1ccc(cc1)C(=O)C(=O)O 173 [0,1,1,0,0,0|1,0,0]=3 86 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N 004 [0,1,1,0,0,0|1,0,1]=4 87 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O SMN [0,1,1,0,0,0|1,0,1]=4 88 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PG9 [0,1,1,0,0,0|1,0,1]=4 89 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)N PGY [0,1,1,0,0,0|1,0,1]=4 90 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)O RMN [0,1,1,0,0,0|1,0,1]=4 91 B11R1.36 c1ccc(cc1)[C@H](C(=O)O)S RTD [0,1,1,0,0,0|1,0,1]=4 92 B11R1.40 c1ccc(cc1)C[C@@H](CO)O PPP [0,1,1,0,0,0|0,0,2]=4 93 B11R1.40 c1ccc(cc1)NC(=O)ON PHJ [0,1,1,0,0,0|2,0,0]=4 94 B11R1.157 CC(=O)Nc1cccc(c1)N N3M [0,1,1,0,0,0|1,0,1]=4 95 B11R1.157 c1cc(cc(c1)O)CC(=O)O 3HP [0,1,1,0,0,0|1,0,1]=4 96 B11R2.1 Cc1c2ccccc2n[nH]1 0RW [1,1,0,0,0,0|2,0,0]=4 97 B11R2.1 c1ccc2c(c1)CCC2=O 1ON [1,1,0,0,0,0|1,0,1]=4 98 B11R2.1 c1ccc2c(c1)c(n[nH]2)N JNZ [1,1,0,0,0,0|2,0,0]=4 99 B11R2.1 c1ccc2c(c1)c(no2)N HLR [1,1,0,0,0,0|1,0,0]=3 100 B11R2.1 c1ccc2c(c1)c[nH]c2N F05 [1,1,0,0,0,0|2,0,0]=4 101 B11R2.36 Cc1ccc2c(c1)[nH]cn2 5MB [1,1,0,0,0,0|2,0,0]=4 102 B11R2.36 Cc1ccc2c(c1)cc[nH]2 5MI [1,1,0,0,0,0|1,0,0]=3 103 B11R2.36 c1cc(cc2c1cc[nH]2)Br FK1 [1,1,0,0,0,0|1,0,0]=3 104 B11R2.36 c1cc(cc2c1cc[nH]2)O F60 [1,1,0,0,0,0|1,0,0]=3 105 B11R2.36 c1cc2c(cc1Cl)nc[nH]2 ES9 [1,1,0,0,0,0|2,0,0]=4 106 B11R2.36 c1cc2c(cc1I)cn[nH]2 8NY [1,1,0,0,0,0|2,0,0]=4 107 B11R2.36 c1cc2c(cc1N)c[nH]n2 70S [1,1,0,0,0,0|2,0,0]=4 108 B11R2.36 c1cc2c(cc1O)OCO2 BZX [1,1,0,0,0,0|1,0,1]=4 109 B11R2.36 c1cc2c(cc[nH]2)cc1Cl 11S [1,1,0,0,0,0|1,0,0]=3 110 B11R2.36 c1cc2c(cc[nH]2)cc1F 14O [1,1,0,0,0,0|1,0,0]=3 111 B11R2.36 c1cc2c(cc[nH]2)cc1O 5H1 [1,1,0,0,0,0|1,0,0]=3 112 B11R2.36 c1cc2cn[nH]c2cc1N 6AI [1,1,0,0,0,0|2,0,0]=4 113 B11R2.36 c1cc2cn[nH]c2cc1O 2K4 [1,1,0,0,0,0|2,0,0]=4 114 B11R2.36 c1cc2nccn2cc1N 1LY [1,1,0,0,0,0|2,0,0]=4 115 B11R2.106 c1cc(c2c(c1)[nH]cn2)N 7WA [1,1,0,0,0,0|2,0,0]=4 116 B11R2.106 c1cc(n2ccnc2c1)N 1LX [1,1,0,0,0,0|2,0,0]=4 117 B11R2.106 c1cc2cn[nH]c2c(c1)N 10L [1,1,0,0,0,0|2,0,0]=4 118 B11R2.106 c1cnc2ccsc2c1O TR2 [1,1,0,0,0,0|1,1,0]=4 119 B13R2.32 CN1c2ccccc2C=CC1=O 12Q [0,1,0,0,0,1|2,0,0]=4 120 B13R2.32 Cc1cnc2ccccc2c1N 7W1 [0,1,0,0,0,1|1,0,0]=3 121 B13R2.32 c1ccc2c(c1)c(c(cn2)Br)N 2NW [0,1,0,0,0,1|2,0,0]=4 122 B13R2.32 c1ccc2c(c1)ccc(c2O)O D1N [0,1,0,0,0,1|2,0,0]=4 123 B13R2.57 C=Nc1ccc2ccccc2c1 N2I [0,1,0,0,0,1|1,0,1]=4 124 B13R2.57 c1ccc2c(c1)C[C@@H](CO2)CO BCU [0,1,0,0,0,1|0,0,2]=4 125 B13R2.57 c1ccc2cc(ccc2c1)CO 2NA [0,1,0,0,0,1|1,0,0]=3 126 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 KJU [0,1,0,0,0,1|2,0,0]=4 127 B13R2.155 c1cc2c(cc1O)OC(=O)C=C2 07L [0,1,0,0,0,1|1,0,0]=3 128 B13R2.162 Cc1ccc2c(c1)C(=O)NC=C2 KUF [0,1,0,0,0,1|2,0,0]=4 129 B13R2.162 c1cc2c(c(c1)O)OC(=O)C=C2 8CM [0,1,0,0,0,1|1,0,0]=3 130 B13R2.162 c1cc2ccc(nc2c(c1)O)N 0P6 [0,1,0,0,0,1|2,0,0]=4 131 B13R2.328 CC1=CC(=O)Oc2c1cccc2 ZZ1 [0,1,0,0,0,1|1,0,0]=3 132 B13R2.328 CC1=Nc2ccccc2C(=O)N1 MEW [0,1,0,0,0,1|1,0,0]=3 133 B13R2.328 Cc1cc(c2ccccc2n1)N M4A [0,1,0,0,0,1|1,0,0]=3 134 B13R2.328 Cc1cc(nc2c1cccc2)N M5K [0,1,0,0,0,1|2,0,0]=4 135 B13R2.328 Cc1cc(nc2c1cccc2)O AJ2 [0,1,0,0,0,1|2,0,0]=4 136 B13R2.328 c1ccc2c(c1)C(=CC(=O)O2)O 4HC [0,1,0,0,0,1|1,0,0]=3 137 B13R2.328 c1ccc2c(c1)C(=O)NC(=N2)N AQO [0,1,0,0,0,1|2,0,0]=4 138 B13R2.328 c1ccc2c(c1)C(=O)NC(=N2)S D1V [0,1,0,0,0,1|2,0,0]=4 139 B13R2.328 c1ccc2c(c1)c(nc(n2)N)N Q24 [0,1,0,0,0,1|2,0,0]=4 140 B13R2.369 CC1=Cc2ccccc2NC1=O J5I [0,1,0,0,0,1|1,0,0]=3 141 B13R2.369 CN1Cc2ccccc2NC1=O 3PF [0,1,0,0,0,1|2,0,0]=4 142 B13R2.369 C[C@H]1C(=O)Nc2ccccc2N1 5QY [0,1,0,0,0,1|1,0,1]=4 143 B13R2.369 c1ccc2c(c1)C=C(C(=O)N2)O G3E [0,1,0,0,0,1|2,0,0]=4 144 B13R2.369 c1ccc2c(c1)C=C(C(=O)O2)O SE2 [0,1,0,0,0,1|1,0,0]=3 145 B13R2.3683 Cc1ccc2c(c1)C=CC(=O)O2 3AV [0,1,0,0,0,1|1,0,0]=3 146 B13R2.3683 Cc1ccc2cc(ccc2n1)N MQN [0,1,0,0,0,1|1,0,0]=3 147 B13R2.3683 c1cc2c(cc1Cl)C=CC(=O)N2 0TU [0,1,0,0,0,1|2,0,0]=4 148 B13R2.3683 c1cc2c(cc1N)C=CC(=O)O2 4JQ [0,1,0,0,0,1|1,0,0]=3 149 B13R2.3683 c1cc2c(cc1O)C=CC(=S)O2 FC5 [0,1,0,0,0,1|1,0,0]=3 150 B13R2.5179 c1cc2cc(ccc2c(c1)O)O DIN [0,1,0,0,0,1|2,0,0]=4 151 B13R2.5179 c1cc2cc(cnc2c(c1)N)O A7W [0,1,0,0,0,1|2,0,0]=4 152 B13R2.3028 Cc1c(n2cc(ccc2n1)F)N 86J [0,2,0,0,0,0|2,0,0]=4 153 B13R2.3028 c1cc2c(cc1Cl)C(=O)C(=O)N2 2HQ [0,2,0,0,0,0|2,0,0]=4 154 B13R2.435 B(c1cc2ccccc2s1)(O)O BZB [0,2,0,0,0,0|1,1,0]=4 155 B13R2.435 c1ccc2c(c1)[nH]c(n2)C(F)F 56U [0,2,0,0,0,0|2,0,0]=4 156 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O ICB [0,2,0,0,0,0|1,0,1]=4 157 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O BZ2 [0,2,0,0,0,0|0,0,1]=3 158 B13R2.435 c1ccc2c(c1)cc(s2)C(=[NH2+])N ESX [0,2,0,0,0,0|0,1,1]=4 159 B13R2.5397 Cc1nc2c(o1)C=C(OC2=O)C 75K [0,2,0,0,0,0|2,0,0]=4 160 B9R0.2 C\C=C\C=C\C=C\C(=O)O OTT [0,0,2,0,0,0|1,0,1]=4 161 B11R2.20 c1ccc2c(c1)cncn2 QUZ [0,0,1,1,0,0|2,0,0]=4 162 B11R2.20 c1ccc2ccccc2c1 NPY [0,0,1,1,0,0|1,0,1]=4 163 B11R2.20 c1ccc2cnccc2c1 ISQ [0,0,1,1,0,0|2,0,0]=4 164 B9R1.6 B(c1ccccc1)(O)O PBC [0,0,1,0,1,0|2,0,0]=4 165 B9R1.6 CC(=O)c1ccccc1 AC0 [0,0,1,0,1,0|0,0,1]=3 166 B9R1.6 C[C@@H](c1ccccc1)N 98B [0,0,1,0,1,0|1,0,1]=4 167 B9R1.6 C[C@@H](c1ccccc1)O SS1 [0,0,1,0,1,0|0,0,1]=3 168 B9R1.6 C[C@H](c1ccccc1)N QSC [0,0,1,0,1,0|1,0,1]=4 169 B9R1.6 C[C@H](c1ccccc1)O SS2 [0,0,1,0,1,0|0,0,1]=3 170 B9R1.6 N=C(/c1ccccc1)\N BEN [0,0,1,0,1,0|2,0,0]=4 171 B9R1.6 c1cc(cnc1)C(=O)O NIO [0,0,1,0,1,0|2,0,0]=4 172 B9R1.6 c1ccc(cc1)C(=N)N BDN [0,0,1,0,1,0|2,0,0]=4 173 B9R1.6 c1ccc(cc1)C(=O)N UNU [0,0,1,0,1,0|1,0,1]=4 174 B9R1.6 c1ccc(cc1)C(=O)O BEZ [0,0,1,0,1,0|1,0,0]=3 175 B9R1.6 c1ccc(cc1)C(=O)O BOX [0,0,1,0,1,0|1,0,0]=3 176 B9R1.6 c1ccc(cc1)C(=[NH2+])N BAM [0,0,1,0,1,0|2,0,0]=4 177 B9R1.6 c1ccnc(c1)C(=O)O 6PC [0,0,1,0,1,0|2,0,0]=4 178 B9R2.3 c1csc2c1scc2 J1Z [1,0,0,0,1,0|1,1,0]=4 179 B11R1.91 CC(=O)OCc1ccccc1 J0Z [0,0,1,0,0,1|1,0,0]=3 180 B11R1.91 c1ccc(cc1)/C=C/C(=O)O TCA [0,0,1,0,0,1|1,0,0]=3 181 B11R1.91 c1ccc(cc1)CCC(=O)O HCI [0,0,1,0,0,1|1,0,1]=4 182 B11R1.91 c1ccc(cc1)CNC(=O)O PMQ [0,0,1,0,0,1|1,0,1]=4 183 B11R1.91 c1ccc(cc1)COC(=O)Cl PHQ [0,0,1,0,0,1|2,0,0]=4 184 B11R1.91 c1ccc(cc1)COC(=O)O BGG [0,0,1,0,0,1|1,0,1]=4 185 B11R1.91 c1ccc(cc1)OCC(=O)N PO6 [0,0,1,0,0,1|2,0,0]=4 186 B11R1.91 c1ccc(cc1)OCC(=O)O 06Y [0,0,1,0,0,1|1,0,1]=4 187 B11R1.91 c1ccc(cc1)\C=C\C(=O)N DH6 [0,0,1,0,0,1|1,0,1]=4 188 B11R1.91 c1cnccc1/C=C/C(=O)O XIZ [0,0,1,0,0,1|2,0,0]=4