0 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13293 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.6 C[C@H](N)C1=CC=CN=C1 S11132 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31048 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.6 C[C@H](N)C1=NC=CC=C1 90514 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 C[C@H](O)C1=NC=NC=C1 AT18318 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 N=C(N)C1=CC=CN=N1 F30256 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.6 N=C(N)C1=CC=NC=C1 71449 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.6 N=C(N)C1=NC=NC=C1 F30402 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.6 NC(=O)C1=NC=CC=N1 C11052 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.6 O=C(Cl)C1=CC=NC=C1 D78267 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.6 O=C(O)C1=CCCNC1 C10916 [0,0,0,0,0,0|1,0,3]=4 11 B9R1.6 O=C(O)C1=CCCNC1 F13202 [0,0,0,0,0,0|1,0,3]=4 12 B9R1.6 O=C(O)C1=CCCOC1 SC1721 [0,0,0,0,0,0|1,0,3]=4 13 B9R1.6 O=C([O-])C1=NC=CC=C1 T71798 [0,0,0,0,0,0|1,0,1]=2 14 B9R1.6 O=C([O-])C1=NN=CC=N1 D72030 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 O=[13C](O)C1=CC=CC=C1 F13987 [0,0,0,0,0,0|0,0,0]=0 16 B9R1.6 O=[N+]([O-])C1=CN=CN=C1 C14718 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.6 [2H]C(=C)C1=CC=CC=C1 D97969 [0,0,0,0,0,0|2,0,0]=2 18 B9R1.6 [2H]N([2H])C1=CC=CC=C1 D98688 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.2 C=CC1=CC=CN=C1 71366 [1,0,0,0,0,0|2,0,0]=3 20 B8R1.2 C=CC1=NC=CN=C1 T72447 [1,0,0,0,0,0|3,0,0]=4 21 B8R1.2 NCC1=CC=CC=C1 T70846 [1,0,0,0,0,0|1,0,1]=3 22 B8R1.2 [2H]OC1=CC=CC=C1 D99313 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.13 CC(=O)C1=CN=C(C)N=C1 32219 [0,1,0,0,0,0|3,0,0]=4 24 B10R1.13 CC(=O)C1=NN=C(C)C=C1 P12332 [0,1,0,0,0,0|3,0,0]=4 25 B10R1.13 CC1=CC=C([S@@](=O)Cl)C=C1 C14066 [0,1,0,0,0,0|2,0,0]=3 26 B10R1.13 CC1=CN=C(B(O)O)C=C1 F10369 [0,1,0,0,0,0|2,0,1]=4 27 B10R1.13 CC1=CN=C(B([O-])O)C=C1 AT15741 [0,1,0,0,0,0|2,0,1]=4 28 B10R1.13 CC1=CN=C(C(=N)N)C=C1 W19131 [0,1,0,0,0,0|3,0,0]=4 29 B10R1.13 CC1=NC=C(C(=O)Cl)C=C1 C90488 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.13 CC1=NC=C(C(N)=O)C=N1 81927 [0,1,0,0,0,0|3,0,0]=4 31 B10R1.13 CN(C)C1=CC=C(S)C=C1 T70960 [0,1,0,0,0,0|3,0,0]=4 32 B10R1.13 C[C@@H](N)C1=CC=C(O)C=C1 F16941 [0,1,0,0,0,0|2,0,1]=4 33 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 N12656 [0,1,0,0,0,0|2,0,1]=4 34 B10R1.13 C[C@H](O)C1=CN=C(F)C=C1 AT10687 [0,1,0,0,0,0|2,0,1]=4 35 B10R1.13 C[C@H](O)C1=NC=C(F)C=C1 AT10690 [0,1,0,0,0,0|2,0,1]=4 36 B10R1.13 C[N+]1=CC=C(B(O)O)C=C1 AT14603 [0,1,0,0,0,0|2,0,1]=4 37 B10R1.13 N=C(N)C1=NC=C(Br)C=C1 56664 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.13 N=C(N)C1=NC=C(Cl)C=C1 AC8768 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.13 NC(=O)C1=CN=C(Br)C=N1 N13142 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.13 NC(=O)C1=CN=C(N)N=C1 81842 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.13 NC(=O)C1=NN=C(Br)C=C1 D76262 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.13 NC(=O)C1=NNC(=O)C=C1 AC6451 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.13 NC1=CC=C(C(F)F)C=C1 84195 [0,1,0,0,0,0|2,0,1]=4 44 B10R1.13 O=C(Cl)C1=CN=C(Cl)N=C1 C14171 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.13 O=C(O)C1=CN=C(S)N=C1 AT18396 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.15 C#C[C@@H](O)C1=CC=NC=C1 O10327 [0,1,0,0,0,0|2,0,1]=4 47 B10R1.15 C#C[C@@H](O)C1=CN=CC=C1 AC5787 [0,1,0,0,0,0|2,0,1]=4 48 B10R1.15 C#C[C@@H](O)C1=NC=CC=C1 AC5788 [0,1,0,0,0,0|2,0,1]=4 49 B10R1.15 C=C(CO)C1=CC=CC=C1 A11577 [0,1,0,0,0,0|1,0,0]=2 50 B10R1.15 CCC(=O)C1=CC=NC=C1 N12310 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.15 CCC(=O)C1=NC=CC=N1 D72036 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.15 CC[C@H](N)C1=CC=CC=C1 N12648 [0,1,0,0,0,0|2,0,1]=4 53 B10R1.15 CN[C@@H](C)C1=CC=CC=C1 L10186 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.15 COC(=N)C1=CC=CC=C1 W12775 [0,1,0,0,0,0|1,0,0]=2 55 B10R1.15 COC(=N)C1=CC=NC=C1 D87808 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.15 COC(=O)N1C=CC=CC1 F21432 [0,1,0,0,0,0|1,0,1]=3 57 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1146 [0,1,0,0,0,0|1,0,1]=3 58 B10R1.15 C[C@@H](C=O)C1=CC=CC=C1 AC1167 [0,1,0,0,0,0|1,0,1]=3 59 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10550 [0,1,0,0,0,0|1,0,1]=3 60 B10R1.15 C[C@H](NO)C1=CC=CC=C1 P10551 [0,1,0,0,0,0|1,0,1]=3 61 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14528 [0,1,0,0,0,0|1,0,1]=3 62 B10R1.15 C[C@H](ON)C1=CC=CC=C1 AT14530 [0,1,0,0,0,0|1,0,1]=3 63 B10R1.15 NCC(=O)C1=CN=CC=C1 D87739 [0,1,0,0,0,0|2,0,0]=3 64 B10R1.15 NCC(=O)C1=CN=CC=C1 F13353 [0,1,0,0,0,0|2,0,0]=3 65 B10R1.15 NC[C@H](O)C1=CC=NC=C1 C78562 [0,1,0,0,0,0|2,0,1]=4 66 B10R1.15 NC[C@H](O)C1=CN=CC=C1 33361 [0,1,0,0,0,0|2,0,1]=4 67 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y11546 [0,1,0,0,0,0|2,0,1]=4 68 B10R1.15 N[C@@H](CO)C1=CC=NC=C1 Y12429 [0,1,0,0,0,0|2,0,1]=4 69 B10R1.15 N[C@@H](CO)C1=CN=CC=C1 Y12120 [0,1,0,0,0,0|2,0,1]=4 70 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12118 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12119 [0,1,0,0,0,0|2,0,1]=4 72 B10R1.15 N[C@@H](CO)C1=NC=CC=C1 Y12430 [0,1,0,0,0,0|2,0,1]=4 73 B10R1.15 N\C(=N/O)C1=CC=CC=C1 L10027 [0,1,0,0,0,0|1,0,0]=2 74 B10R1.15 O=C(CBr)C1=NC=CC=N1 F19759 [0,1,0,0,0,0|3,0,0]=4 75 B10R1.15 O=C(CBr)C1=NC=NC=C1 FD10496 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.15 O=C(CO)C1=CC=NC=C1 AC5781 [0,1,0,0,0,0|1,0,0]=2 77 B10R1.15 O=C(CO)C1=CN=CC=C1 AC2803 [0,1,0,0,0,0|1,0,0]=2 78 B10R1.15 O[C@@H](CCl)C1=CN=CC=C1 Y10944 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.28 FC(F)(Cl)C1=CC=CC=C1 36909 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.28 O=S(=O)(O)C1=CC=CC=C1 I11569 [0,1,0,0,0,0|1,0,0]=2 81 B10R1.28 [2H]C(C)(C)C1=CC=CC=C1 D98007 [0,1,0,0,0,0|2,0,1]=4 82 B10R1.28 [2H]C([2H])(Br)C1=CC=CC=C1 D99472 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.28 [2H]C([2H])(C)C1=CC=CC=C1 D99069 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.28 [2H]C([2H])(O)C1=CC=CC=C1 AT24168 [0,1,0,0,0,0|1,0,1]=3 85 B10R1.28 [2H][C@@](C)(O)C1=CC=CC=C1 D98825 [0,1,0,0,0,0|1,0,1]=3 86 B10R1.61 C=C(C)C1=C(I)C=CC=C1 E72643 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.61 CC(=O)C1=C(C)C=CN=C1 69949 [0,1,0,0,0,0|2,0,0]=3 88 B10R1.61 CC(=O)C1=C(C)C=NC=C1 28203 [0,1,0,0,0,0|2,0,0]=3 89 B10R1.61 CC(=O)C1=C(Cl)C=CN=C1 86430 [0,1,0,0,0,0|2,0,0]=3 90 B10R1.61 CC(=O)C1=C(N)C=NC=C1 W18377 [0,1,0,0,0,0|2,0,0]=3 91 B10R1.61 CC(=O)C1=C(S)C=CC=C1 93483 [0,1,0,0,0,0|1,0,0]=2 92 B10R1.61 CC(=O)C1=CC=CNC1=O C10188 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.61 CC(=O)C1=NC=CN=C1N P10974 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.61 CC(=O)C1=NC=NC=C1C O10307 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.61 CC1=C(B(O)O)C=CN=C1 AT14590 [0,1,0,0,0,0|2,0,1]=4 96 B10R1.61 CC1=C(C(C)C)C=CC=C1 T71005 [0,1,0,0,0,0|2,0,1]=4 97 B10R1.61 CC1=C(P(Cl)Cl)C=CC=C1 AC9855 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.61 CC1=CC=CN=C1B([O-])O AT15845 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.61 CC1=[13C](C(=O)O)C=CC=C1 D98685 [0,1,0,0,0,0|0,0,0]=1 100 B10R1.61 C[C@H](Br)C1=C(Cl)C=CC=C1 C77623 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.61 C[C@H](Cl)C1=C(Cl)C=CC=C1 A11172 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 C10363 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.61 N=C(N)C1=C(Br)C=CC=N1 W18185 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.61 N=C(N)C1=C(F)C=CC=C1 W10322 [0,1,0,0,0,0|2,0,0]=3 105 B10R1.61 N=C(N)C1=C(F)C=CC=N1 F51910 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.61 N=C(N)C1=[N+]([O-])C=CC=C1 O10709 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.61 NC(=O)C1=C(F)C=NC=C1 55531 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.61 NC(=O)C1=C(O)N=CC=C1 D74336 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.61 NC(=S)C1=CC=CN=C1Cl 31340 [0,1,0,0,0,0|2,1,0]=4 110 B10R1.61 NC(=S)C1=NC=CC=C1N F13535 [0,1,0,0,0,0|2,1,0]=4 111 B10R1.61 NC1=C(B(O)O)C=NC=C1 AT12798 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.61 O=C(O)C1=C(Br)C=CN=C1 78917 [0,1,0,0,0,0|1,0,0]=2 113 B10R1.61 O=C(O)C1=CN=CN=C1Cl F10440 [0,1,0,0,0,0|2,0,0]=3 114 B10R1.61 O=C([O-])C1=C(Cl)C=CC=C1 I11424 [0,1,0,0,0,0|0,0,1]=2 115 B10R1.61 O=C([O-])C1=C(O)C=CC=C1 FD10574 [0,1,0,0,0,0|0,0,1]=2 116 B10R1.61 O=[N+]([O-])C1=CC=CN=C1I AB10380 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.61 O=[N+]([O-])C1=CC=CN=C1S T72399 [0,1,0,0,0,0|2,0,1]=4 118 B10R1.61 OB(O)C1=C(Br)C=CN=C1 FD10196 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.61 OB(O)C1=C(Cl)C=CN=C1 AT14944 [0,1,0,0,0,0|2,0,1]=4 120 B10R1.61 OB(O)C1=C(F)C=CN=C1 FD10200 [0,1,0,0,0,0|2,0,1]=4 121 B10R1.113 C=C(C)C1=CC=CC(Br)=C1 AC1303 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.113 CC(=O)C1=CC(=O)NC=C1 90624 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.113 CC(=O)C1=CC(Cl)=NC=N1 91059 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.113 CC(=O)C1=CN=NC(C)=C1 E71800 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.113 CC(=O)C1=NC(N)=CC=C1 N14723 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.113 CC1=CC(B(O)O)=NC=C1 83427 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.113 CC1=CC=CC(B([O-])O)=N1 AT15842 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.113 CC1=CC=CC(C(=N)N)=N1 74734 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.113 CC1=CC=CC(C(C)C)=C1 T71023 [0,1,0,0,0,0|2,0,1]=4 130 B10R1.113 CC1=NC=CC([C@H](C)O)=C1 F13150 [0,1,0,0,0,0|2,0,1]=4 131 B10R1.113 C[C@H](Br)C1=CC(Cl)=CC=C1 55213 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.113 C[C@H](Br)C1=CC=CC(Br)=C1 55217 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 70883 [0,1,0,0,0,0|2,0,1]=4 134 B10R1.113 C[C@H](N)C1=CC=CC(N)=C1 Y11581 [0,1,0,0,0,0|2,0,1]=4 135 B10R1.113 C[C@H](N)C1=CC=CC(O)=C1 F16880 [0,1,0,0,0,0|2,0,1]=4 136 B10R1.113 C[C@H](O)C1=CC(F)=CN=C1 AT10686 [0,1,0,0,0,0|2,0,1]=4 137 B10R1.113 C[C@H](O)C1=CC(N)=NC=C1 CS1317 [0,1,0,0,0,0|2,0,1]=4 138 B10R1.113 C[C@H](O)C1=CC=CC(F)=C1 SC1245 [0,1,0,0,0,0|1,0,1]=3 139 B10R1.113 C[C@H](O)C1=CC=CC(F)=N1 AT10689 [0,1,0,0,0,0|2,0,1]=4 140 B10R1.113 C[C@H](O)C1=CC=CC(O)=C1 59959 [0,1,0,0,0,0|1,0,1]=3 141 B10R1.113 C[C@H](O)C1=NC=CC(F)=C1 AT10691 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50248 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 F50315 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.113 FC(F)C1=CC=CC(S)=C1 97706 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.113 N=C(N)C1=CC(Cl)=NC=C1 87823 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.113 N=C(N)C1=CC=CC(Br)=N1 O11565 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.113 N=C(N)C1=NC=CC(Cl)=C1 67989 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.113 NC(=O)C1=CN=CC(Br)=N1 W17936 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.113 NC(=S)C1=CC=CC(I)=C1 A10482 [0,1,0,0,0,0|1,1,0]=3 150 B10R1.113 NC1=CC(B(O)O)=CN=C1 AT14947 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.113 NC1=CC=NC(C(=O)O)=N1 AT18255 [0,1,0,0,0,0|2,0,0]=3 152 B10R1.113 O=C(Cl)C1=CC=NC(Cl)=N1 C14874 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.113 O=C(Cl)C1=NC=CC(Cl)=C1 D84548 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.113 O=C(O)C1=NC=CC(O)=C1 AC3399 [0,1,0,0,0,0|1,0,0]=2 155 B10R1.113 O=C([O-])C1=CC=CC(Cl)=C1 I11436 [0,1,0,0,0,0|0,0,1]=2 156 B10R1.113 O=[N+]([O-])C1=CC=CC(S)=C1 AT20860 [0,1,0,0,0,0|1,0,1]=3 157 B10R1.113 O=[N+]([O-])C1=NC(O)=CC=C1 D83533 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.113 OB(O)C1=CC(O)=CN=C1 AT14949 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.113 OB(O)C1=CC=CC(S)=C1 C10361 [0,1,0,0,0,0|1,0,1]=3 160 B10R2.320 N[C@H]1CC2=C1C=CC=C2 AT20398 [0,0,0,1,0,0|2,0,1]=4 161 B8R1.7 CC(=O)C1=CN=CO1 F19037 [0,0,0,0,1,0|3,0,0]=4 162 B8R1.7 CC(=O)C1=COC=N1 AT18593 [0,0,0,0,1,0|3,0,0]=4 163 B8R1.7 CC(=O)C1=CSN=C1 AT21129 [0,0,0,0,1,0|3,0,0]=4 164 B8R1.7 C[C@H](O)C1=CC=CS1 71923 [0,0,0,0,1,0|2,0,1]=4 165 B8R1.7 C[C@H](O)C1=CC=CS1 AT16382 [0,0,0,0,1,0|2,0,1]=4 166 B8R1.7 C[C@H](O)C1=CC=CS1 AT16384 [0,0,0,0,1,0|2,0,1]=4 167 B8R1.7 C[C@H](O)C1=COC=C1 AT17475 [0,0,0,0,1,0|2,0,1]=4 168 B8R1.7 C[C@H](O)C1=COC=C1 AT17477 [0,0,0,0,1,0|2,0,1]=4 169 B8R1.7 N=C(N)C1=CC=CN1 F18689 [0,0,0,0,1,0|3,0,0]=4 170 B8R1.7 NC(=O)C1=NOC=C1 AT19826 [0,0,0,0,1,0|3,0,0]=4 171 B8R1.7 NC(=S)C1=CC=CO1 F11945 [0,0,0,0,1,0|2,1,0]=4 172 B8R1.7 NC(=S)C1=COC=C1 AT17536 [0,0,0,0,1,0|2,1,0]=4 173 B8R1.7 O=C(Cl)C1=COC=N1 D78648 [0,0,0,0,1,0|3,0,0]=4 174 B8R1.7 O=C(O)[C@@H]1C=CCN1 F10849 [0,0,0,0,1,0|1,0,2]=4 175 B8R1.7 O=C([O-])C1=NC=CO1 AT18513 [0,0,0,0,1,0|2,0,1]=4 176 B8R1.7 O=[S@](O)C1=CC=CS1 AT16558 [0,0,0,0,1,0|2,0,0]=3 177 B8R1.7 OB(O)C1=CNC=C1 AC8593 [0,0,0,0,1,0|2,0,1]=4 178 B10R1.18 CC(=O)NC1=CN=CN=C1 F18145 [0,0,0,0,0,1|3,0,0]=4 179 B10R1.18 CC(=O)[15NH]C1=CC=CC=C1 F21470 [0,0,0,0,0,1|1,0,0]=2 180 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71821 [0,0,0,0,0,1|1,0,1]=3 181 B10R1.18 C[C@H](O)CC1=CC=CC=C1 T71861 [0,0,0,0,0,1|1,0,1]=3 182 B10R1.18 C[S@](=O)CC1=CN=CC=C1 E72354 [0,0,0,0,0,1|3,0,0]=4 183 B10R1.18 N=C(N)CC1=CC=CC=C1 C15976 [0,0,0,0,0,1|2,0,0]=3 184 B10R1.18 NC(=O)CC1=CN=CN=C1 FD7229 [0,0,0,0,0,1|3,0,0]=4 185 B10R1.18 OB(O)CC1=CC=CC=C1 32975 [0,0,0,0,0,1|1,0,1]=3 186 B10R1.18 [2H]C([2H])=CC1=CC=CC=C1 D99670 [0,0,0,0,0,1|2,0,0]=3 187 B7R1.3 ClC1=CC=NC=C1 F17303 [2,0,0,0,0,0|2,0,0]=4 188 B7R1.3 FC1=CC=NC=C1 F19691 [2,0,0,0,0,0|2,0,0]=4 189 B7R1.3 F[13C]1=[13CH][13CH]=[13CH][13CH]=[13CH]1 40525 [2,0,0,0,0,0|1,0,0]=3 190 B7R1.3 OC1=CN=NC=C1 O12057 [2,0,0,0,0,0|2,0,0]=4 191 B7R1.3 [15NH2]C1=CC=CC=C1 41405 [2,0,0,0,0,0|1,0,0]=3 192 B7R1.3 [2H]C1=CC=CC=C1 D98570 [2,0,0,0,0,0|1,0,0]=3 193 B7R1.3 [2H]C1=CC=NC=C1 D98795 [2,0,0,0,0,0|2,0,0]=4 194 B7R1.3 [2H]C1=NC=CC=C1 D98277 [2,0,0,0,0,0|2,0,0]=4 195 B9R1.1 C=CC1=CN=C(F)C=C1 79557 [1,1,0,0,0,0|2,0,0]=4 196 B9R1.1 CNC1=CC=C(N)C=C1 C78356 [1,1,0,0,0,0|2,0,0]=4 197 B9R1.1 C[Se]C1=CC=C(Br)C=C1 97865 [1,1,0,0,0,0|2,0,0]=4 198 B9R1.1 NCC1=CC=C(F)C=C1 N12249 [1,1,0,0,0,0|1,0,1]=4 199 B9R1.1 NCC1=CC=C(S)C=C1 AT20992 [1,1,0,0,0,0|1,0,1]=4 200 B9R1.1 O=C1C=CC(=NCl)C=C1 T72753 [1,1,0,0,0,0|2,0,0]=4 201 B9R1.1 O=CC1=CN=C(Br)N=C1 55465 [1,1,0,0,0,0|2,0,0]=4 202 B9R1.1 O=CC1=CN=C(F)C=N1 P15039 [1,1,0,0,0,0|2,0,0]=4 203 B9R1.1 O=CC1=NC=C(Br)C=N1 38375 [1,1,0,0,0,0|2,0,0]=4 204 B9R1.1 [2H]CC1=CC=C(F)C=C1 D98910 [1,1,0,0,0,0|1,0,1]=4 205 B9R1.2 CC1=CC(C=O)=NC=N1 AT18315 [1,1,0,0,0,0|2,0,0]=4 206 B9R1.2 NC1=NC=CC(C=O)=C1 O10660 [1,1,0,0,0,0|1,0,0]=3 207 B9R1.2 NCC1=CC=CC(I)=C1 CK2420 [1,1,0,0,0,0|1,0,1]=4 208 B9R1.2 O=CC1=CC(I)=CN=C1 H10413 [1,1,0,0,0,0|1,0,0]=3 209 B9R1.2 [2H]CC1=CC=CC(F)=C1 D99661 [1,1,0,0,0,0|1,0,1]=4 210 B9R1.8 C#C[I+]C1=CC=CC=C1 T71678 [1,1,0,0,0,0|1,0,1]=4 211 B9R1.8 CNNC1=CC=CC=C1 C77159 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.8 FCCC1=CC=CC=C1 75534 [1,1,0,0,0,0|1,0,1]=4 213 B9R1.8 IC#CC1=CC=CC=C1 N11813 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.8 NCCC1=CC=CC=C1 T71816 [1,1,0,0,0,0|1,0,1]=4 215 B9R1.8 NCCC1=CC=CC=C1 T72591 [1,1,0,0,0,0|1,0,1]=4 216 B9R1.8 OCCC1=CC=NC=C1 T72404 [1,1,0,0,0,0|1,0,1]=4 217 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [1,1,0,0,0,0|1,0,0]=3 218 B9R1.15 C=CC1=C(C)C=CN=C1 P11580 [1,1,0,0,0,0|2,0,0]=4 219 B9R1.15 C=CC1=CC=CN=C1F P13082 [1,1,0,0,0,0|2,0,0]=4 220 B9R1.15 CC1=C(C=O)C=NC=N1 O11269 [1,1,0,0,0,0|2,0,0]=4 221 B9R1.15 N#CC1=C(S)C=CC=C1 AT20892 [1,1,0,0,0,0|1,0,1]=4 222 B9R1.15 NC1=C(C=O)C=NC=C1 W12249 [1,1,0,0,0,0|1,0,0]=3 223 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [1,1,0,0,0,0|1,0,1]=4 224 B9R1.15 O=CC1=CNC=CC1=O O11278 [1,1,0,0,0,0|1,0,0]=3 225 B9R1.15 OCC1=C(F)C=CN=C1 P11878 [1,1,0,0,0,0|1,0,1]=4 226 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.15 [C-]#[N+]C1=C(Cl)C=CC=C1 AC9402 [1,1,0,0,0,0|2,0,0]=4 228 B9R1.11 COC(=O)C1=NOC=C1 AT19828 [0,1,0,0,1,0|2,0,0]=4 229 B9R1.11 COC(=O)C1=NSC=C1 AT21127 [0,1,0,0,1,0|2,0,0]=4 230 B9R1.11 C\C(=N/O)C1=CC=CS1 W18710 [0,1,0,0,1,0|2,0,0]=4 231 B9R1.11 O=C(CO)C1=CC=CS1 AC7083 [0,1,0,0,1,0|1,0,0]=3 232 B9R1.11 O=CC(=O)C1=CSC=C1 AT16766 [0,1,0,0,1,0|1,0,1]=4 233 B9R1.35 CC(=O)C1=CC=C(Br)N1 C90268 [0,1,0,0,1,0|2,0,0]=4 234 B9R1.35 CC(=O)C1=CC=C(Br)O1 O10305 [0,1,0,0,1,0|2,0,0]=4 235 B9R1.35 CC(=O)N1C=CC(N)=C1 AC4901 [0,1,0,0,1,0|2,0,0]=4 236 B9R1.35 CC1=NSC(C(=O)O)=C1 AT21155 [0,1,0,0,1,0|2,0,0]=4 237 B9R1.35 NC(=O)C1=CC(Br)=CS1 C76680 [0,1,0,0,1,0|2,0,0]=4 238 B9R1.35 NC1=CN=C(C(=O)O)S1 38504 [0,1,0,0,1,0|2,0,0]=4 239 B9R1.35 NC1=CN=C(C(=O)O)S1 70896 [0,1,0,0,1,0|2,0,0]=4 240 B9R1.35 NC1=CSC(C(=O)O)=C1 AC7156 [0,1,0,0,1,0|1,0,0]=3 241 B9R1.35 NC1=NOC(C(=O)O)=C1 D78674 [0,1,0,0,1,0|2,0,0]=4 242 B9R1.35 O=C(Cl)C1=CC=C(Cl)O1 AT17320 [0,1,0,0,1,0|2,0,0]=4 243 B9R1.35 O=C(O)C1=CC(O)=CS1 AT16393 [0,1,0,0,1,0|1,0,0]=3 244 B9R1.35 O=C(O)C1=CC=C(Br)N1 O11354 [0,1,0,0,1,0|1,0,0]=3 245 B9R1.35 O=C(O)C1=CC=C(Cl)N1 AT16176 [0,1,0,0,1,0|1,0,0]=3 246 B9R1.35 O=C(O)C1=CN=C(Cl)N1 AT15386 [0,1,0,0,1,0|2,0,0]=4 247 B9R1.35 O=C(O)C1=CN=C(I)O1 C91097 [0,1,0,0,1,0|2,0,0]=4 248 B9R1.35 O=C(O)C1=CSC(S)=N1 AT14870 [0,1,0,0,1,0|2,0,0]=4 249 B9R1.35 O=C(O)C1=NC(Cl)=CS1 AT14689 [0,1,0,0,1,0|2,0,0]=4 250 B9R1.41 CC(=O)C1=C(Br)C=CO1 AT17466 [0,1,0,0,1,0|2,0,0]=4 251 B9R1.41 CC(=O)C1=C(O)C=CS1 AT16388 [0,1,0,0,1,0|2,0,0]=4 252 B9R1.41 CC1=C(C(=O)O)SN=C1 AT21154 [0,1,0,0,1,0|2,0,0]=4 253 B9R1.41 CC1=CNC=C1C(=O)O 71038 [0,1,0,0,1,0|1,0,0]=3 254 B9R1.41 CC1=COC=C1C(=O)O 72440 [0,1,0,0,1,0|1,0,0]=3 255 B9R1.41 CC1=CSC=C1C(=O)Cl AT17065 [0,1,0,0,1,0|2,0,0]=4 256 B9R1.41 NC(=O)C1=C(F)C=CS1 92876 [0,1,0,0,1,0|2,0,0]=4 257 B9R1.41 NC(=O)C1=C(N)C=CO1 AC5297 [0,1,0,0,1,0|2,0,0]=4 258 B9R1.41 NC(=O)C1=C(O)C=CS1 75845 [0,1,0,0,1,0|2,0,0]=4 259 B9R1.41 NC1=C(C(=O)O)N=CN1 C90485 [0,1,0,0,1,0|2,0,0]=4 260 B9R1.41 NC1=CSN=C1C(=O)O AT21158 [0,1,0,0,1,0|2,0,0]=4 261 B9R1.41 O=C(O)C1=C(Br)OC=C1 AT17113 [0,1,0,0,1,0|1,0,0]=3 262 B9R1.41 O=C(O)C1=C(Cl)N=CS1 AT15210 [0,1,0,0,1,0|2,0,0]=4 263 B9R1.41 O=C(O)C1=C(F)NN=C1 C92334 [0,1,0,0,1,0|2,0,0]=4 264 B9R1.41 O=C(O)C1=CNC=C1Br AT16233 [0,1,0,0,1,0|1,0,0]=3 265 B9R1.41 O=C(O)C1=CNN=C1I E72213 [0,1,0,0,1,0|2,0,0]=4 266 B9R1.41 O=C(O)C1=CSC=C1Cl AT14983 [0,1,0,0,1,0|1,0,0]=3 267 B9R1.41 O=C(O)C1=NSC=C1I AT21161 [0,1,0,0,1,0|2,0,0]=4 268 B11R1.20 CC(=O)NC1=NC=C(F)C=C1 N11494 [0,1,0,0,0,1|2,0,0]=4 269 B11R1.20 CC1=CC=C(CB(O)O)C=C1 F20813 [0,1,0,0,0,1|1,0,1]=4 270 B11R1.20 CC1=CN=C(CC(=O)[O-])C=C1 R10046 [0,1,0,0,0,1|1,0,1]=4 271 B11R1.20 FC1=CC=C(OC(=S)Cl)C=C1 T72468 [0,1,0,0,0,1|1,1,0]=4 272 B11R1.20 N=C(N)NC1=CC=C(Cl)C=C1 28377 [0,1,0,0,0,1|2,0,0]=4 273 B11R1.20 N=C(N)NC1=CC=C(F)C=C1 C16184 [0,1,0,0,0,1|2,0,0]=4 274 B11R1.20 NC(=O)NC1=CC=C(N)C=C1 51818 [0,1,0,0,0,1|1,0,0]=3 275 B11R1.36 CC(=O)N(C)C1=NC=CC=C1 63680 [0,1,0,0,0,1|2,0,0]=4 276 B11R1.36 CC(=O)N(Cl)C1=CC=CC=C1 T71089 [0,1,0,0,0,1|1,0,0]=3 277 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N15518 [0,1,0,0,0,1|1,0,0]=3 278 B11R1.36 CC(O)C(N)C1=CC=CC=C1 N11175 [0,1,0,0,0,1|1,0,1]=4 279 B11R1.36 CC(O)C(N)C1=CC=CC=C1 Y13368 [0,1,0,0,0,1|1,0,1]=4 280 B11R1.36 CC(O)[C@H](N)C1=CC=CC=C1 N15517 [0,1,0,0,0,1|1,0,1]=4 281 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N15522 [0,1,0,0,0,1|1,0,1]=4 282 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15519 [0,1,0,0,0,1|1,0,1]=4 283 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 AT10021 [0,1,0,0,0,1|1,0,0]=3 284 B11R1.36 N[C@@H](C(=O)O)C1=CC=NC=C1 F15634 [0,1,0,0,0,1|1,0,0]=3 285 B11R1.36 N[C@@H](C(=O)O)C1=CN=CC=C1 AT21867 [0,1,0,0,0,1|1,0,0]=3 286 B11R1.36 N[C@@H](C(=O)O)C1=NC=CC=C1 AC3554 [0,1,0,0,0,1|1,0,0]=3 287 B11R1.36 N[C@@H](C(=O)O)C1=NC=CN=C1 66504 [0,1,0,0,0,1|2,0,0]=4 288 B11R1.36 [2H]C([2H])=C([2H])C1=CC=CC=C1 D99675 [0,1,0,0,0,1|2,0,0]=4 289 B11R1.40 CNC(=S)NC1=CC=CC=C1 T72207 [0,1,0,0,0,1|1,1,0]=4 290 B11R1.40 COC(=O)CC1=CN=CN=C1 AT13806 [0,1,0,0,0,1|2,0,0]=4 291 B11R1.40 C[C@H](C=O)CC1=CC=CC=C1 F16111 [0,1,0,0,0,1|1,0,1]=4 292 B11R1.40 Cl\C=C(\Cl)OC1=CC=CC=C1 W12901 [0,1,0,0,0,1|2,0,0]=4 293 B11R1.40 N#CC(=O)CC1=CC=CC=C1 AC5929 [0,1,0,0,0,1|1,0,0]=3 294 B11R1.40 NNC(=O)CC1=NC=CC=C1 AT10923 [0,1,0,0,0,1|2,0,0]=4 295 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 C78372 [0,1,0,0,0,1|1,0,1]=4 296 B11R1.40 O=C(CCl)NC1=CN=CC=C1 C78463 [0,1,0,0,0,1|2,0,0]=4 297 B11R1.40 O\N=C(/Cl)CC1=CC=CC=C1 AC6652 [0,1,0,0,0,1|1,0,0]=3 298 B11R1.86 CC(=O)NC1=C(Br)C=CC=N1 F18386 [0,1,0,0,0,1|2,0,0]=4 299 B11R1.86 CC(=O)NC1=C(C)N=CC=C1 F14250 [0,1,0,0,0,1|2,0,0]=4 300 B11R1.86 CC(=O)NC1=C(I)C=NC=C1 D71943 [0,1,0,0,0,1|2,0,0]=4 301 B11R1.86 CC(=O)NC1=C(N)C=CN=C1 C16214 [0,1,0,0,0,1|2,0,0]=4 302 B11R1.86 CC(=O)OC1=C(Br)C=CC=C1 F13222 [0,1,0,0,0,1|1,0,0]=3 303 B11R1.86 CC(=S)NC1=C(Br)C=CC=C1 81280 [0,1,0,0,0,1|1,1,0]=4 304 B11R1.86 CC1=NC=CN=C1CC(=O)O A51230 [0,1,0,0,0,1|2,0,0]=4 305 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [0,1,0,0,0,1|2,0,0]=4 306 B11R1.157 CC(=O)CC1=CC(C)=CC=C1 N12785 [0,1,0,0,0,1|1,0,0]=3 307 B11R1.157 CC(=O)NC1=CC=CC(Cl)=N1 F17978 [0,1,0,0,0,1|2,0,0]=4 308 B11R1.157 CC1=CC(CC(=O)O)=NC=N1 C91524 [0,1,0,0,0,1|2,0,0]=4 309 B11R1.157 CC1=CC=CC(CC(=O)O)=N1 AC5601 [0,1,0,0,0,1|1,0,0]=3 310 B11R1.157 C[S@](=O)CC1=CC(N)=CC=C1 AT15220 [0,1,0,0,0,1|2,0,0]=4 311 B11R1.157 N=C(N)NC1=CC=CC(Cl)=C1 C12447 [0,1,0,0,0,1|2,0,0]=4 312 B11R1.157 N=C(N)NC1=CC=CC(F)=C1 C16183 [0,1,0,0,0,1|2,0,0]=4 313 B11R1.157 N=C(N)NC1=CC=CC(O)=C1 S11159 [0,1,0,0,0,1|2,0,0]=4 314 B11R1.157 NC(=O)NC1=CC(N)=CC=C1 F19865 [0,1,0,0,0,1|1,0,0]=3 315 B11R1.157 NC1=CC=CC(CC(=O)O)=N1 S12253 [0,1,0,0,0,1|1,0,0]=3 316 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 N10485 [0,1,0,0,0,1|1,0,0]=3 317 B11R1.157 NC1=NC=CC(CC(=O)O)=C1 Y10709 [0,1,0,0,0,1|1,0,0]=3 318 B11R1.157 O=C(O)CC1=CC(Br)=CN=C1 AT23257 [0,1,0,0,0,1|1,0,0]=3 319 B11R1.157 OB(O)CC1=CC=CC(F)=C1 D79888 [0,1,0,0,0,1|1,0,1]=4 320 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 D87575 [0,2,0,0,0,0|1,0,0]=3 321 B11R1.3 CCC1=CC=C(C(N)=S)C=C1 F13708 [0,2,0,0,0,0|1,1,0]=4 322 B11R1.3 CCC1=NC=C(C(C)=O)C=C1 P12273 [0,2,0,0,0,0|2,0,0]=4 323 B11R1.3 CNC1=CC=C(B(O)O)C=C1 N10060 [0,2,0,0,0,0|1,0,1]=4 324 B11R1.3 CNC1=CN=C(C(=O)O)C=C1 AT13629 [0,2,0,0,0,0|1,0,0]=3 325 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 AC2109 [0,2,0,0,0,0|2,0,0]=4 326 B11R1.3 COC1=CN=C(C(C)=O)C=C1 P10973 [0,2,0,0,0,0|2,0,0]=4 327 B11R1.3 COC1=CN=C(C(N)=O)C=C1 D74451 [0,2,0,0,0,0|2,0,0]=4 328 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20981 [0,2,0,0,0,0|1,0,1]=4 329 B11R1.3 CSC1=CC=C([C@H](C)O)C=C1 AT20982 [0,2,0,0,0,0|1,0,1]=4 330 B11R1.3 C[C@H](O)C1=CC=C(C#N)C=C1 C13987 [0,2,0,0,0,0|1,0,1]=4 331 B11R1.3 N#[N+]C1=CC=C(C(=O)O)C=C1 A11547 [0,2,0,0,0,0|0,0,0]=2 332 B11R1.3 NNC1=CC=C(C(N)=O)C=C1 10001 [0,2,0,0,0,0|1,0,0]=3 333 B11R1.3 O=CC1=CN=C(C(=O)O)C=C1 N13056 [0,2,0,0,0,0|1,0,0]=3 334 B11R1.3 [2H]C(=O)C1=CC=C(OC)C=C1 D98577 [0,2,0,0,0,0|1,0,0]=3 335 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 95895 [0,2,0,0,0,0|1,0,0]=3 336 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 AT17933 [0,2,0,0,0,0|1,0,0]=3 337 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 C14784 [0,2,0,0,0,0|1,0,0]=3 338 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 F52062 [0,2,0,0,0,0|1,0,0]=3 339 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 FD1163 [0,2,0,0,0,0|1,0,0]=3 340 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 O10169 [0,2,0,0,0,0|1,0,0]=3 341 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W10983 [0,2,0,0,0,0|1,0,0]=3 342 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13714 [0,2,0,0,0,0|1,0,0]=3 343 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W13756 [0,2,0,0,0,0|1,0,0]=3 344 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15718 [0,2,0,0,0,0|1,0,0]=3 345 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15764 [0,2,0,0,0,0|1,0,0]=3 346 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15884 [0,2,0,0,0,0|1,0,0]=3 347 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W15911 [0,2,0,0,0,0|1,0,0]=3 348 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16530 [0,2,0,0,0,0|1,0,0]=3 349 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 W16531 [0,2,0,0,0,0|1,0,0]=3 350 B11R1.19 CP(C)(=O)C1=CC=C(F)C=C1 AT21937 [0,2,0,0,0,0|2,0,0]=4 351 B11R1.19 CP(C)(=O)C1=CC=C(N)C=C1 D77062 [0,2,0,0,0,0|2,0,0]=4 352 B11R1.19 C[S@](=N)(=O)C1=CC=C(Br)C=C1 W13286 [0,2,0,0,0,0|2,0,0]=4 353 B11R1.19 C[S@](=N)(=O)C1=CC=C(Cl)C=C1 AT11346 [0,2,0,0,0,0|2,0,0]=4 354 B11R1.19 C[S@](=N)(=O)C1=CC=C(F)C=C1 W16235 [0,2,0,0,0,0|2,0,0]=4 355 B11R1.19 NC1=CC=C(P(=O)(O)O)C=C1 D88549 [0,2,0,0,0,0|1,0,0]=3 356 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 C16387 [0,2,0,0,0,0|1,0,0]=3 357 B11R1.19 O=S(=O)(O)C1=CC=C(Br)C=C1 N11848 [0,2,0,0,0,0|1,0,0]=3 358 B11R1.19 O=S(=O)(O)C1=CC=C(F)C=C1 AC3124 [0,2,0,0,0,0|1,0,0]=3 359 B11R1.21 CC(=O)C1=CC(N)=C(O)C=C1 69909 [0,2,0,0,0,0|1,0,0]=3 360 B11R1.21 CC1=C(Br)C=C(B(O)O)C=C1 D71574 [0,2,0,0,0,0|1,0,1]=4 361 B11R1.21 CC1=C(C)C=C([C@H](C)O)C=C1 44393 [0,2,0,0,0,0|1,0,1]=4 362 B11R1.21 CC1=C(O)C=CC(C(=O)O)=N1 E71908 [0,2,0,0,0,0|1,0,0]=3 363 B11R1.21 CC1=NC(C(=O)O)=CNC1=O 57159 [0,2,0,0,0,0|2,0,0]=4 364 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 AT11379 [0,2,0,0,0,0|1,0,1]=4 365 B11R1.21 C[C@H](O)C1=CC(F)=C(F)C=C1 AT11380 [0,2,0,0,0,0|1,0,1]=4 366 B11R1.21 NC(=O)C1=CC(F)=C(O)C=C1 D96313 [0,2,0,0,0,0|1,0,0]=3 367 B11R1.21 NC(=O)C1=CC(N)=C(O)C=C1 D87298 [0,2,0,0,0,0|1,0,0]=3 368 B11R1.21 NC(=O)C1=CC(O)=C(I)C=C1 D77904 [0,2,0,0,0,0|1,0,0]=3 369 B11R1.21 NC1=C(Cl)C=CC(B(O)O)=C1 D71431 [0,2,0,0,0,0|1,0,1]=4 370 B11R1.21 NC1=C(Cl)C=NC(C(=O)O)=C1 AT24933 [0,2,0,0,0,0|1,0,0]=3 371 B11R1.21 NC1=C(F)C=C(B(O)O)C=C1 85292 [0,2,0,0,0,0|1,0,1]=4 372 B11R1.21 NC1=C(F)C=CC(B(O)O)=C1 I12541 [0,2,0,0,0,0|1,0,1]=4 373 B11R1.21 NC1=C(S)C=CC([N+](=O)[O-])=C1 AT19650 [0,2,0,0,0,0|1,0,1]=4 374 B11R1.21 NC1=NC=C(C(=O)O)N=C1I P13455 [0,2,0,0,0,0|2,0,0]=4 375 B11R1.21 O=C(Cl)C1=CC(F)=C(Br)C=C1 76037 [0,2,0,0,0,0|1,0,0]=3 376 B11R1.21 O=C(O)C1=CC(I)=C(O)N=C1 AC6008 [0,2,0,0,0,0|1,0,0]=3 377 B11R1.21 O=C(O)C1=CN=C(Br)C(Cl)=C1 AT10807 [0,2,0,0,0,0|1,0,0]=3 378 B11R1.21 O=C(O)C1=CN=C(Br)C(O)=C1 AT21523 [0,2,0,0,0,0|1,0,0]=3 379 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 F51217 [0,2,0,0,0,0|1,0,0]=3 380 B11R1.22 C#C[C@@H](O)C1=CC=C(Br)C=C1 AC6934 [0,2,0,0,0,0|1,0,1]=4 381 B11R1.22 C#C[C@@H](O)C1=CC=C(C)C=C1 AC6704 [0,2,0,0,0,0|1,0,1]=4 382 B11R1.22 C#C[C@@H](O)C1=CC=C(Cl)C=C1 AC5833 [0,2,0,0,0,0|1,0,1]=4 383 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 C75563 [0,2,0,0,0,0|1,0,0]=3 384 B11R1.22 CC1=CC=C(C(=O)CO)C=C1 AC6089 [0,2,0,0,0,0|0,0,0]=2 385 B11R1.22 CC1=CC=C(C(=S)NN)C=C1 W10974 [0,2,0,0,0,0|1,1,0]=4 386 B11R1.22 CC1=CC=C([C@@H](O)CN)C=C1 C78285 [0,2,0,0,0,0|1,0,1]=4 387 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 65912 [0,2,0,0,0,0|1,0,0]=3 388 B11R1.22 CC1=CN=C(\C(C)=N\O)C=C1 AB10298 [0,2,0,0,0,0|2,0,0]=4 389 B11R1.22 CCC(=O)C1=CN=C(Br)C=C1 F50479 [0,2,0,0,0,0|2,0,0]=4 390 B11R1.22 CCC(=O)C1=CN=C(C)C=C1 N14278 [0,2,0,0,0,0|2,0,0]=4 391 B11R1.22 CCC(=O)C1=CN=C(F)C=C1 N14274 [0,2,0,0,0,0|2,0,0]=4 392 B11R1.22 CNC(=O)C1=NC=C(N)C=C1 AT26730 [0,2,0,0,0,0|2,0,0]=4 393 B11R1.22 COC(=N)C1=CC=C(Br)C=C1 AC7283 [0,2,0,0,0,0|1,0,0]=3 394 B11R1.22 COC(=O)C1=CN=C(C)N=C1 P11085 [0,2,0,0,0,0|2,0,0]=4 395 B11R1.22 CO[C@@H](C)C1=CC=C(Br)C=C1 N11516 [0,2,0,0,0,0|1,0,1]=4 396 B11R1.22 CO[S@@](=O)C1=CC=C(C)C=C1 D92807 [0,2,0,0,0,0|1,0,0]=3 397 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 24831 [0,2,0,0,0,0|1,0,0]=3 398 B11R1.22 NCC(=O)C1=CC=C(O)C=C1 F14651 [0,2,0,0,0,0|1,0,0]=3 399 B11R1.22 NCC(=O)C1=NC=C(Br)C=C1 90935 [0,2,0,0,0,0|2,0,0]=4 400 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 58433 [0,2,0,0,0,0|1,0,1]=4 401 B11R1.22 NC[C@H](O)C1=CC=C(F)C=C1 C78230 [0,2,0,0,0,0|1,0,1]=4 402 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 N11131 [0,2,0,0,0,0|1,0,1]=4 403 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16864 [0,2,0,0,0,0|1,0,1]=4 404 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 F16884 [0,2,0,0,0,0|1,0,1]=4 405 B11R1.22 N[C@@H](CO)C1=CC=C(O)C=C1 N10530 [0,2,0,0,0,0|1,0,1]=4 406 B11R1.22 O=C(CF)C1=CC=C(Br)C=C1 W17424 [0,2,0,0,0,0|1,0,0]=3 407 B11R1.22 O=C(CO)C1=CC=C(O)C=C1 D87702 [0,2,0,0,0,0|0,0,0]=2 408 B11R1.22 O=C([13CH2]Br)C1=CC=C(Br)C=C1 D97990 [0,2,0,0,0,0|1,0,0]=3 409 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 O10480 [0,2,0,0,0,0|0,0,1]=3 410 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 FD1217 [0,2,0,0,0,0|0,0,2]=4 411 B11R1.22 O[C@@H](CCl)C1=CC=C(Br)C=C1 58431 [0,2,0,0,0,0|1,0,1]=4 412 B11R1.166 CC(=O)C1=C(Br)C=C(Cl)C=N1 BL010230 [0,2,0,0,0,0|2,0,0]=4 413 B11R1.166 CC(=O)C1=C(Br)C=C(F)C=N1 D79871 [0,2,0,0,0,0|2,0,0]=4 414 B11R1.166 CC(=O)C1=C(Cl)C=C(C)C=C1 AT15339 [0,2,0,0,0,0|1,0,0]=3 415 B11R1.166 CC(=O)C1=C(O)C=C(I)C=C1 62926 [0,2,0,0,0,0|1,0,0]=3 416 B11R1.166 CC(=O)C1=CN=C(Br)C=C1C D80175 [0,2,0,0,0,0|2,0,0]=4 417 B11R1.166 CC(=O)C1=NC=C(Br)C=C1F 83702 [0,2,0,0,0,0|2,0,0]=4 418 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 56645 [0,2,0,0,0,0|2,0,0]=4 419 B11R1.166 CC1=C(C(N)=O)C=CC(Br)=C1 F13688 [0,2,0,0,0,0|1,0,0]=3 420 B11R1.166 CC1=CC(Cl)=NC=C1C(N)=O D85781 [0,2,0,0,0,0|2,0,0]=4 421 B11R1.166 CC1=CC(F)=C(C(=O)O)C=N1 N17088 [0,2,0,0,0,0|1,0,0]=3 422 B11R1.166 CC1=CC(F)=C([C@H](C)O)C=C1 AT15336 [0,2,0,0,0,0|1,0,1]=4 423 B11R1.166 CC1=CC(F)=CN=C1C(=O)O 55148 [0,2,0,0,0,0|1,0,0]=3 424 B11R1.166 CC1=CC(N)=C(C(=O)O)C=N1 25712 [0,2,0,0,0,0|1,0,0]=3 425 B11R1.166 CC1=CC=C(C(=O)O)C(Br)=N1 N12689 [0,2,0,0,0,0|1,0,0]=3 426 B11R1.166 CC1=CN=C(C(=O)O)C(N)=N1 70364 [0,2,0,0,0,0|2,0,0]=4 427 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=C1 AT11374 [0,2,0,0,0,0|1,0,1]=4 428 B11R1.166 C[C@H](O)C1=C(F)C=C(F)C=C1 AT11378 [0,2,0,0,0,0|1,0,1]=4 429 B11R1.166 N=C(N)C1=C(Cl)C=C(Br)C=C1 D86997 [0,2,0,0,0,0|2,0,0]=4 430 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 92721 [0,2,0,0,0,0|2,0,0]=4 431 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 C14169 [0,2,0,0,0,0|2,0,0]=4 432 B11R1.166 N=C(N)C1=C(F)C=C(O)C=C1 D87625 [0,2,0,0,0,0|2,0,0]=4 433 B11R1.166 NC(=O)C1=C(N)N=C(F)C=C1 F20285 [0,2,0,0,0,0|2,0,0]=4 434 B11R1.166 NC(=O)C1=C(O)C=C(O)N=C1 F12454 [0,2,0,0,0,0|2,0,0]=4 435 B11R1.166 NC(=O)C1=CN=C(Cl)C=C1N AT11356 [0,2,0,0,0,0|2,0,0]=4 436 B11R1.166 NC(=O)C1=NC=C(Br)C=C1Cl AC3839 [0,2,0,0,0,0|2,0,0]=4 437 B11R1.166 NC1=C(B(O)O)C=CC(Cl)=C1 W16867 [0,2,0,0,0,0|1,0,1]=4 438 B11R1.166 NC1=C(C(=O)O)C=NC(O)=C1 35476 [0,2,0,0,0,0|1,0,0]=3 439 B11R1.166 NC1=CC(Br)=CN=C1C(=O)O 37099 [0,2,0,0,0,0|1,0,0]=3 440 B11R1.166 NC1=CC(Cl)=C(C(=O)O)N=C1 BL010122 [0,2,0,0,0,0|1,0,0]=3 441 B11R1.166 NC1=CC(I)=C(C(=O)O)C=C1 D87628 [0,2,0,0,0,0|0,0,0]=2 442 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 AC4722 [0,2,0,0,0,0|1,0,0]=3 443 B11R1.166 O=C(Cl)C1=C(Br)C=C(F)C=C1 F17471 [0,2,0,0,0,0|1,0,0]=3 444 B11R1.166 O=C(O)C1=C(Cl)C=C(O)C=N1 BL010139 [0,2,0,0,0,0|1,0,0]=3 445 B11R1.166 O=C(O)C1=C(S)C=C(Br)C=C1 AT20781 [0,2,0,0,0,0|0,0,0]=2 446 B11R1.166 O=C(O)C1=C(S)C=C(F)C=C1 AT20779 [0,2,0,0,0,0|0,0,0]=2 447 B11R1.166 O=C(O)C1=NN=C(O)C=C1O W15300 [0,2,0,0,0,0|2,0,0]=4 448 B11R1.166 OB(O)C1=C(O)C=C(Br)C=C1 D71659 [0,2,0,0,0,0|1,0,1]=4 449 B11R1.7 CC(C)(C=O)C1=CC=CC=C1 AT22663 [0,2,0,0,0,0|1,0,1]=4 450 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 N12768 [0,2,0,0,0,0|1,0,1]=4 451 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 N12976 [0,2,0,0,0,0|1,0,1]=4 452 B11R1.12 N#C\C(=C\O)C1=CC=CC=C1 58278 [0,2,0,0,0,0|1,0,0]=3 453 B11R1.16 C#CC[C@H](O)C1=CC=CC=C1 W15219 [0,2,0,0,0,0|1,0,1]=4 454 B11R1.16 CCOC(=N)C1=NC=CC=C1 F18164 [0,2,0,0,0,0|2,0,0]=4 455 B11R1.16 CNC[C@H](O)C1=CC=CC=C1 C11214 [0,2,0,0,0,0|1,0,1]=4 456 B11R1.16 COC[C@H](N)C1=CC=CC=C1 AC6537 [0,2,0,0,0,0|1,0,1]=4 457 B11R1.16 N#CNC(=N)C1=CC=CC=C1 W12215 [0,2,0,0,0,0|2,0,0]=4 458 B11R1.16 OCC[C@H](O)C1=CC=CC=C1 C80043 [0,2,0,0,0,0|0,0,2]=4 459 B11R1.16 [N-]=[N+]=CC(=O)C1=CC=CC=C1 AT25592 [0,2,0,0,0,0|1,0,0]=3 460 B11R1.23 C#C[C@@H](O)C1=CC(C)=CC=C1 AC5841 [0,2,0,0,0,0|1,0,1]=4 461 B11R1.23 C#C[C@@H](O)C1=CC=CC(Br)=C1 AC5836 [0,2,0,0,0,0|1,0,1]=4 462 B11R1.23 C#C[C@@H](O)C1=CC=CC(Cl)=C1 AC5834 [0,2,0,0,0,0|1,0,1]=4 463 B11R1.23 CC1=CC(\C(C)=N\O)=NC=C1 D87307 [0,2,0,0,0,0|2,0,0]=4 464 B11R1.23 CC1=CC=CC(C(=O)CO)=C1 AC3231 [0,2,0,0,0,0|0,0,0]=2 465 B11R1.23 CC1=CC=CC([C@@H](O)CN)=C1 C78286 [0,2,0,0,0,0|1,0,1]=4 466 B11R1.23 CCC(=O)C1=CC(Br)=CN=C1 N14270 [0,2,0,0,0,0|2,0,0]=4 467 B11R1.23 CCC(=O)C1=CC(Cl)=NC=C1 N13049 [0,2,0,0,0,0|2,0,0]=4 468 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 34175 [0,2,0,0,0,0|1,0,0]=3 469 B11R1.23 CC[C@H](O)C1=CC(C)=CC=C1 N14416 [0,2,0,0,0,0|1,0,1]=4 470 B11R1.23 CC[C@H](O)C1=CC=CC(Br)=C1 N12527 [0,2,0,0,0,0|1,0,1]=4 471 B11R1.23 CC[C@H](O)C1=CC=CC(Cl)=C1 N12311 [0,2,0,0,0,0|1,0,1]=4 472 B11R1.23 CNC(=O)C1=NC=CC(O)=C1 N13116 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.23 COC(=O)C1=CC(I)=NN=C1 C92378 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.23 COC(=O)C1=CC(N)=NC=C1 W17825 [0,2,0,0,0,0|1,0,0]=3 475 B11R1.23 COC(=O)C1=CC(S)=NC=C1 F18003 [0,2,0,0,0,0|1,0,0]=3 476 B11R1.23 COC(=O)C1=CC=CC(I)=N1 C16472 [0,2,0,0,0,0|1,0,0]=3 477 B11R1.23 COC(=O)C1=CN=CC(=O)N1 72441 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.23 COC(=O)C1=NC=CC(O)=C1 AC3417 [0,2,0,0,0,0|1,0,0]=3 479 B11R1.23 NCC(=O)C1=CC(O)=CC=C1 C77908 [0,2,0,0,0,0|1,0,0]=3 480 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 58439 [0,2,0,0,0,0|1,0,1]=4 481 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 71528 [0,2,0,0,0,0|1,0,1]=4 482 B11R1.23 NC[C@H](O)C1=CC=CC(Br)=C1 92116 [0,2,0,0,0,0|1,0,1]=4 483 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 58428 [0,2,0,0,0,0|1,0,1]=4 484 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 C78287 [0,2,0,0,0,0|1,0,1]=4 485 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 D77208 [0,2,0,0,0,0|1,0,1]=4 486 B11R1.23 NNC(=O)C1=CC=CC(I)=N1 D74463 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.23 N[C@@H](CO)C1=CC=CC(F)=C1 N12818 [0,2,0,0,0,0|1,0,1]=4 488 B11R1.23 N\C(=N/O)C1=CC=CC(Cl)=N1 93027 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.23 O=C(CBr)C1=CC(Br)=NC=C1 AT22740 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.23 O=C(CBr)C1=NC=CC(Cl)=C1 C16275 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.23 O=C(CO)C1=CC=CC(Br)=C1 AC6088 [0,2,0,0,0,0|0,0,0]=2 492 B11R1.23 O=C(CO)C1=CC=CC(F)=C1 AC5675 [0,2,0,0,0,0|0,0,0]=2 493 B11R1.23 O=CC(=O)C1=CC=CC(Cl)=C1 AB10250 [0,2,0,0,0,0|0,0,1]=3 494 B11R1.23 O[C@@H](CCl)C1=CC=CC(Br)=C1 58437 [0,2,0,0,0,0|1,0,1]=4 495 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58424 [0,2,0,0,0,0|1,0,1]=4 496 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C72678 [0,2,0,0,0,0|1,0,1]=4 497 B11R1.23 O\N=C(/Cl)C1=CC=CC(Cl)=C1 65906 [0,2,0,0,0,0|1,0,0]=3 498 B11R1.222 C#C[C@@H](O)C1=C(Br)C=CC=C1 AC5641 [0,2,0,0,0,0|1,0,1]=4 499 B11R1.222 C#C[C@@H](O)C1=C(C)C=CC=C1 AC4137 [0,2,0,0,0,0|1,0,1]=4 500 B11R1.222 C#C[C@@H](O)C1=C(Cl)C=CC=C1 AC5063 [0,2,0,0,0,0|1,0,1]=4 501 B11R1.222 C#C[C@@H](O)C1=C(F)C=CC=C1 AC5690 [0,2,0,0,0,0|1,0,1]=4 502 B11R1.222 C#C[C@@H](O)C1=C(O)C=CC=C1 AC5065 [0,2,0,0,0,0|1,0,1]=4 503 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [0,2,0,0,0,0|0,0,0]=2 504 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N15069 [0,2,0,0,0,0|1,0,1]=4 505 B11R1.222 CCC(=O)C1=C(Br)C=CC=C1 72058 [0,2,0,0,0,0|1,0,0]=3 506 B11R1.222 CCC(=O)C1=C(Br)C=NC=C1 N14286 [0,2,0,0,0,0|2,0,0]=4 507 B11R1.222 CCC(=O)C1=C(Cl)C=CN=C1 N14267 [0,2,0,0,0,0|2,0,0]=4 508 B11R1.222 CCC(=O)C1=C(F)C=CC=N1 N14248 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.222 CCC(=O)C1=C(F)C=NC=C1 N14283 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.222 CCC(=O)C1=CC=CN=C1Br N14264 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.222 CCC(=O)C1=CC=CN=C1Cl N14262 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.222 CCC(=O)C1=CC=CN=C1F N14261 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.222 CCC(=O)C1=NC=CC=C1C N12289 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.222 CC[C@H](O)C1=C(Br)C=CC=C1 N12628 [0,2,0,0,0,0|1,0,1]=4 515 B11R1.222 CC[C@H](O)C1=C(C)C=CC=C1 N14414 [0,2,0,0,0,0|1,0,1]=4 516 B11R1.222 CC[C@H](O)C1=C(Cl)C=CC=C1 N14413 [0,2,0,0,0,0|1,0,1]=4 517 B11R1.222 CNC(=O)C1=C(I)C=CC=C1 E72599 [0,2,0,0,0,0|1,0,0]=3 518 B11R1.222 CNC(=O)C1=NC=CC=C1O C71661 [0,2,0,0,0,0|2,0,0]=4 519 B11R1.222 COC(=N)C1=C(Br)C=CC=C1 AC5256 [0,2,0,0,0,0|1,0,0]=3 520 B11R1.222 COC(=O)C1=C(C)C=NC=C1 CS1425 [0,2,0,0,0,0|1,0,0]=3 521 B11R1.222 COC(=O)C1=C(Cl)C=NC=N1 67177 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.222 COC(=O)C1=CN=CN=C1Cl 31492 [0,2,0,0,0,0|2,0,0]=4 523 B11R1.222 COC(=O)C1=NC=NC=C1C F53212 [0,2,0,0,0,0|2,0,0]=4 524 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 W12757 [0,2,0,0,0,0|1,0,0]=3 525 B11R1.222 NC1=C(C(=O)CCl)C=CC=C1 72272 [0,2,0,0,0,0|1,0,0]=3 526 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [0,2,0,0,0,0|1,0,0]=3 527 B11R1.222 NC[C@H](O)C1=C(Br)C=CC=C1 71742 [0,2,0,0,0,0|1,0,1]=4 528 B11R1.222 NC[C@H](O)C1=C(F)C=CC=C1 C78140 [0,2,0,0,0,0|1,0,1]=4 529 B11R1.222 NC[C@H](O)C1=C(I)C=CC=C1 O10641 [0,2,0,0,0,0|1,0,1]=4 530 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 C77783 [0,2,0,0,0,0|1,0,1]=4 531 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15244 [0,2,0,0,0,0|1,0,1]=4 532 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15255 [0,2,0,0,0,0|1,0,1]=4 533 B11R1.222 O=C(CBr)C1=C(Cl)C=NC=C1 D88108 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.222 O=C(CBr)C1=NC=CC=C1F F13389 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.222 O=C(CCl)C1=C(Cl)C=CC=C1 D71120 [0,2,0,0,0,0|1,0,0]=3 536 B11R1.222 O=C(CF)C1=CC=CN=C1F AT10155 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.222 O=C(CO)C1=C(Br)C=CC=C1 AC7495 [0,2,0,0,0,0|0,0,0]=2 538 B11R1.222 O=C(CO)C1=C(F)C=CC=C1 AC5617 [0,2,0,0,0,0|0,0,0]=2 539 B11R1.222 O=C(CO)C1=C(I)C=CC=C1 AC7053 [0,2,0,0,0,0|0,0,0]=2 540 B11R1.87 C[S@](=N)(=O)C1=C(Br)C=CC=C1 AT11347 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.87 C[S@](=N)(=O)C1=C(Cl)C=CC=C1 AT11351 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.87 C[S@](=N)(=O)C1=C(F)C=CC=C1 AT11350 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.87 NC1=C(S(=O)(=O)Cl)C=CC=C1 C72646 [0,2,0,0,0,0|1,0,1]=4 544 B11R1.155 CP(C)(=O)C1=CC(N)=CC=C1 AT13373 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.155 C[S@](=N)(=O)C1=CC(F)=CC=C1 AT11349 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.155 C[S@](=N)(=O)C1=CC=CC(Br)=C1 C92921 [0,2,0,0,0,0|2,0,0]=4 547 B11R1.155 C[S@](=N)(=O)C1=CC=CC(Cl)=C1 AT11348 [0,2,0,0,0,0|2,0,0]=4 548 B11R1.53 C=C(Br)C1=C(OC)C=CC=C1 F18312 [0,2,0,0,0,0|2,0,0]=4 549 B11R1.53 C=CC1=C(C(=O)O)C=CC=C1 O10854 [0,2,0,0,0,0|0,0,0]=2 550 B11R1.53 CCC1=C(C(C)=O)C=CN=C1 CL0371 [0,2,0,0,0,0|2,0,0]=4 551 B11R1.53 CCC1=C(C(N)=S)C=CC=C1 F13433 [0,2,0,0,0,0|1,1,0]=4 552 B11R1.53 COC1=C(C(N)=O)C=CC=N1 D87306 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.53 COC1=CC=CN=C1C(N)=O D87880 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.53 CSC1=C(C(=O)O)N=CC=C1 AT16224 [0,2,0,0,0,0|1,0,0]=3 555 B11R1.53 C[C@H](O)C1=C(C#N)C=CC=C1 C73535 [0,2,0,0,0,0|1,0,1]=4 556 B11R1.53 N#CC1=C(C(=N)N)C=CC=C1 AC1590 [0,2,0,0,0,0|2,0,0]=4 557 B11R1.53 N#CC1=C(C(=O)Cl)C=CC=C1 D87858 [0,2,0,0,0,0|1,0,0]=3 558 B11R1.53 N#CC1=C(C(N)=O)C=CC=C1 T70416 [0,2,0,0,0,0|1,0,0]=3 559 B11R1.53 O=C(O)C1=NC=CC=C1CO D77137 [0,2,0,0,0,0|1,0,0]=3 560 B11R1.53 O=C([O-])C1=NC=CC=C1CO AT20000 [0,2,0,0,0,0|1,0,1]=4 561 B11R1.53 O=CC1=C(C(=O)O)C=CC=N1 O10788 [0,2,0,0,0,0|1,0,0]=3 562 B11R1.53 O=CC1=CC=CN=C1C(=O)O D87924 [0,2,0,0,0,0|1,0,0]=3 563 B11R1.156 CC(=O)C1=C(Br)C=CC=C1N C75622 [0,2,0,0,0,0|1,0,0]=3 564 B11R1.156 CC(=O)C1=C(Br)C=CN=C1Cl 55294 [0,2,0,0,0,0|2,0,0]=4 565 B11R1.156 CC1=CC=CC(Br)=C1C(N)=O F13400 [0,2,0,0,0,0|1,0,0]=3 566 B11R1.156 CC1=CC=CC(Cl)=C1C(=N)N F13421 [0,2,0,0,0,0|2,0,0]=4 567 B11R1.156 CC1=CC=CC(I)=C1C(=O)O 81915 [0,2,0,0,0,0|0,0,0]=2 568 B11R1.156 CC1=CN=CC(Br)=C1C(=O)O 51801 [0,2,0,0,0,0|1,0,0]=3 569 B11R1.156 CC1=CN=CC(N)=C1C(=O)O W11192 [0,2,0,0,0,0|1,0,0]=3 570 B11R1.156 CC1=NC=CC(Cl)=C1C(=O)O C16695 [0,2,0,0,0,0|1,0,0]=3 571 B11R1.156 C[C@H](O)C1=C(F)C=CC=C1F AT11387 [0,2,0,0,0,0|1,0,1]=4 572 B11R1.156 C[C@H](O)C1=C(F)C=CC=C1F AT11388 [0,2,0,0,0,0|1,0,1]=4 573 B11R1.156 N=C(N)C1=C(Cl)C=CC=C1Cl F12419 [0,2,0,0,0,0|2,0,0]=4 574 B11R1.156 NC(=O)C1=C(Br)C=CC=C1N AC2939 [0,2,0,0,0,0|1,0,0]=3 575 B11R1.156 NC(=O)C1=C(F)C=CC=C1O C13392 [0,2,0,0,0,0|1,0,0]=3 576 B11R1.156 NC1=CC=CC(O)=C1C(=O)O 26442 [0,2,0,0,0,0|0,0,0]=2 577 B11R1.156 O=C(Cl)C1=C(I)C=CC=C1Cl F20996 [0,2,0,0,0,0|1,0,0]=3 578 B11R1.159 C=C(C)C1=C(N)C(C)=CC=C1 F18673 [0,2,0,0,0,0|2,0,0]=4 579 B11R1.159 CC(=O)C1=C(C)C(N)=CC=C1 O10268 [0,2,0,0,0,0|1,0,0]=3 580 B11R1.159 CC(=O)C1=C(C)C(O)=CC=C1 C76227 [0,2,0,0,0,0|1,0,0]=3 581 B11R1.159 CC(=O)C1=C(F)C(Cl)=NC=C1 AT26683 [0,2,0,0,0,0|2,0,0]=4 582 B11R1.159 CC(=O)C1=CC=CC(Cl)=C1I 94553 [0,2,0,0,0,0|1,0,0]=3 583 B11R1.159 CC(=O)C1=CC=CC(O)=C1F AT11003 [0,2,0,0,0,0|1,0,0]=3 584 B11R1.159 CC1=C(C(N)=O)C=CC=C1N 93043 [0,2,0,0,0,0|1,0,0]=3 585 B11R1.159 CC1=C(O)C(B(O)O)=CC=C1 D71388 [0,2,0,0,0,0|1,0,1]=4 586 B11R1.159 CC1=C(O)C=CN=C1C(=O)O C11063 [0,2,0,0,0,0|1,0,0]=3 587 B11R1.159 CC1=C(O)N=CN=C1C(=O)O F52192 [0,2,0,0,0,0|2,0,0]=4 588 B11R1.159 CC1=CC=CC(C(N)=O)=C1Cl D87582 [0,2,0,0,0,0|1,0,0]=3 589 B11R1.159 CC1=CC=CC(C(N)=O)=C1O AC4144 [0,2,0,0,0,0|1,0,0]=3 590 B11R1.159 CC1=CN=CC(C(=O)O)=C1O AT13143 [0,2,0,0,0,0|1,0,0]=3 591 B11R1.159 CC1=NC=CC(C(=O)O)=C1C D87767 [0,2,0,0,0,0|1,0,0]=3 592 B11R1.159 CN1C=NC=C(C(=O)O)C1=O AT13877 [0,2,0,0,0,0|2,0,0]=4 593 B11R1.159 NC(=O)C1=C(N)C(N)=CC=C1 F12396 [0,2,0,0,0,0|1,0,0]=3 594 B11R1.159 NC(=O)C1=CC=CC(S)=C1Cl 92372 [0,2,0,0,0,0|1,0,0]=3 595 B11R1.159 NC1=C(C(=O)O)C=CC=C1O T72518 [0,2,0,0,0,0|0,0,0]=2 596 B11R1.159 NC1=C(C(=O)O)C=CN=C1Br C11136 [0,2,0,0,0,0|1,0,0]=3 597 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=N1 C16696 [0,2,0,0,0,0|2,0,0]=4 598 B11R1.159 O=C(O)C1=CC=CC(I)=C1O AT10718 [0,2,0,0,0,0|0,0,0]=2 599 B11R1.159 O=C(O)C1=CC=C[C@H](Br)[N+]1=O W12263 [0,2,0,0,0,0|1,0,1]=4 600 B11R1.159 OB(O)C1=CC=CC(I)=C1Br H11194 [0,2,0,0,0,0|1,0,1]=4 601 B11R1.167 CC(=O)C1=C(C)C=CC(Cl)=C1 F52542 [0,2,0,0,0,0|1,0,0]=3 602 B11R1.167 CC(=O)C1=C(N)C=CC(O)=C1 32344 [0,2,0,0,0,0|1,0,0]=3 603 B11R1.167 CC(=O)C1=CC(C)=CN=C1F N13305 [0,2,0,0,0,0|2,0,0]=4 604 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1F AT18807 [0,2,0,0,0,0|2,0,0]=4 605 B11R1.167 CC(=O)C1=CC(Cl)=NC=C1N 92761 [0,2,0,0,0,0|2,0,0]=4 606 B11R1.167 CC1=C(B(O)O)C=C(Br)C=C1 N12928 [0,2,0,0,0,0|1,0,1]=4 607 B11R1.167 CC1=C(B(O)O)C=C(O)C=C1 D71410 [0,2,0,0,0,0|1,0,1]=4 608 B11R1.167 CC1=C(C(=N)N)C=C(F)C=C1 S11570 [0,2,0,0,0,0|2,0,0]=4 609 B11R1.167 CC1=C(C(=O)Cl)C=C(Br)C=C1 C15328 [0,2,0,0,0,0|1,0,0]=3 610 B11R1.167 CC1=C(C(=O)Cl)C=C(Cl)C=C1 F52326 [0,2,0,0,0,0|1,0,0]=3 611 B11R1.167 CC1=C(C(N)=O)C=C(Cl)C=C1 F52323 [0,2,0,0,0,0|1,0,0]=3 612 B11R1.167 CC1=CC(B(O)O)=C(Br)C=C1 D71825 [0,2,0,0,0,0|1,0,1]=4 613 B11R1.167 CC1=CN=C(Br)C(C(=O)O)=C1 C16185 [0,2,0,0,0,0|1,0,0]=3 614 B11R1.167 CC1=NC(C(=O)O)=C(F)C=C1 FD10677 [0,2,0,0,0,0|1,0,0]=3 615 B11R1.167 C[C@H](O)C1=C(F)C=CC(F)=C1 AT11385 [0,2,0,0,0,0|1,0,1]=4 616 B11R1.167 C[C@H](O)C1=C(F)C=CC(F)=C1 AT11386 [0,2,0,0,0,0|1,0,1]=4 617 B11R1.167 NC(=O)C1=C(Br)C=CC(Cl)=N1 80076 [0,2,0,0,0,0|2,0,0]=4 618 B11R1.167 NC(=O)C1=C(Br)C=NC(Cl)=C1 AT22391 [0,2,0,0,0,0|2,0,0]=4 619 B11R1.167 NC(=O)C1=C(Cl)C=CC(Cl)=N1 I10219 [0,2,0,0,0,0|2,0,0]=4 620 B11R1.167 NC(=O)C1=CC(Cl)=NC=C1Cl F12412 [0,2,0,0,0,0|2,0,0]=4 621 B11R1.167 NC(=O)C1=CC(F)=CN=C1Cl 81871 [0,2,0,0,0,0|2,0,0]=4 622 B11R1.167 NC1=CC(B(O)O)=C(F)C=C1 AT21959 [0,2,0,0,0,0|1,0,1]=4 623 B11R1.167 NC1=CC(C(=O)O)=C(F)C=N1 97786 [0,2,0,0,0,0|1,0,0]=3 624 B11R1.167 NC1=CN=C(F)C=C1C(=O)O W19653 [0,2,0,0,0,0|1,0,0]=3 625 B11R1.167 O=C(Cl)C1=C(F)C=CC(Br)=C1 F17494 [0,2,0,0,0,0|1,0,0]=3 626 B11R1.167 O=C(Cl)C1=C(I)C=CC(Br)=C1 AC5820 [0,2,0,0,0,0|1,0,0]=3 627 B11R1.167 O=C(O)C1=C(S)C=CC(Br)=C1 S10260 [0,2,0,0,0,0|0,0,0]=2 628 B11R1.167 O=C(O)C1=C(S)C=CC(Cl)=C1 AT20778 [0,2,0,0,0,0|0,0,0]=2 629 B11R1.167 O=C(O)C1=CC(I)=CN=C1F 98093 [0,2,0,0,0,0|1,0,0]=3 630 B11R1.74 CC(=O)C1=CC(C)=NC(C)=C1 90618 [0,2,0,0,0,0|2,0,0]=4 631 B11R1.74 CC(=O)C1=CC(F)=CC(O)=C1 C90880 [0,2,0,0,0,0|1,0,0]=3 632 B11R1.74 CC1=CC(Br)=NC(C(=O)O)=C1 H11547 [0,2,0,0,0,0|1,0,0]=3 633 B11R1.74 CC1=CC(C(=O)O)=CC(N)=N1 39217 [0,2,0,0,0,0|1,0,0]=3 634 B11R1.74 CC1=CC(C(N)=O)=CC(C)=N1 F12421 [0,2,0,0,0,0|2,0,0]=4 635 B11R1.74 CC1=CC(I)=CC([N+](=O)[O-])=C1 36223 [0,2,0,0,0,0|1,0,1]=4 636 B11R1.74 CC1=NC(O)=CC(C(=O)O)=N1 W10241 [0,2,0,0,0,0|2,0,0]=4 637 B11R1.74 N=C(N)C1=CC(F)=CC(F)=C1 S11014 [0,2,0,0,0,0|2,0,0]=4 638 B11R1.74 NC(=O)C1=CC(Br)=CC(Cl)=C1 C13391 [0,2,0,0,0,0|1,0,0]=3 639 B11R1.74 NC(=O)C1=CC(O)=NC(O)=C1 AC7631 [0,2,0,0,0,0|2,0,0]=4 640 B11R1.74 NC1=CC(B(O)O)=CC(F)=C1 86188 [0,2,0,0,0,0|1,0,1]=4 641 B11R1.74 NC1=CC(C(=O)O)=NC(N)=N1 D76795 [0,2,0,0,0,0|2,0,0]=4 642 B11R1.74 O=C(Cl)C1=CC(Br)=CC(Cl)=C1 75770 [0,2,0,0,0,0|1,0,0]=3 643 B11R1.266 C#CC1=CC=CC(C(C)=O)=C1 C77890 [0,2,0,0,0,0|1,0,0]=3 644 B11R1.266 C=CC1=CC=CC(C(C)=O)=C1 75088 [0,2,0,0,0,0|1,0,0]=3 645 B11R1.266 CC(=O)C1=CC(C=O)=CC=C1 CL9709 [0,2,0,0,0,0|1,0,0]=3 646 B11R1.266 CC(=O)C1=CC=CC(CBr)=C1 72814 [0,2,0,0,0,0|1,0,0]=3 647 B11R1.266 CC(=O)C1=NC=CC(C#N)=C1 50485 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.266 CCC1=NC=CC(C(=O)O)=C1 AC8491 [0,2,0,0,0,0|1,0,0]=3 649 B11R1.266 CNC1=NC=CC(C(=O)O)=C1 AT13630 [0,2,0,0,0,0|1,0,0]=3 650 B11R1.266 COC1=CC=NC(C(=O)O)=N1 F10461 [0,2,0,0,0,0|2,0,0]=4 651 B11R1.266 C[C@H](O)C1=CC(C#N)=CC=C1 AC3011 [0,2,0,0,0,0|1,0,1]=4 652 B11R1.266 N#CC1=CC(C(=N)N)=CC=C1 AC5671 [0,2,0,0,0,0|2,0,0]=4 653 B11R1.266 N#CC1=CC(C(=O)[O-])=NC=C1 AT22702 [0,2,0,0,0,0|1,0,1]=4 654 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 C14979 [0,2,0,0,0,0|1,0,0]=3 655 B11R1.266 NCC1=CC=CC(C(=O)O)=N1 N10456 [0,2,0,0,0,0|1,0,0]=3 656 B11R1.266 NCC1=CC=CC(C(N)=O)=C1 S11363 [0,2,0,0,0,0|1,0,0]=3 657 B11R1.266 NCC1=NC=CC(C(=O)O)=C1 AT13155 [0,2,0,0,0,0|1,0,0]=3 658 B11R1.266 NNC1=CC=CC(C(=O)O)=N1 F17297 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.266 NNC1=NC=CC(C(=O)O)=C1 P10527 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.266 O=CC1=CC(C(=O)O)=CN=C1 AT13148 [0,2,0,0,0,0|1,0,0]=3 661 B11R1.266 O=CC1=CC=CC(C(=O)O)=N1 AT13153 [0,2,0,0,0,0|1,0,0]=3 662 B11R2.10 CC1=NC2=C(C=NC=C2)O1 A11329 [0,0,0,1,0,1|2,0,0]=4 663 B11R2.10 ClC1=CC2=C(C=CC=C2)O1 AC6512 [0,0,0,1,0,1|1,0,0]=3 664 B11R2.10 ClC1=NC2=C(C=CC=N2)O1 C74663 [0,0,0,1,0,1|2,0,0]=4 665 B11R2.10 ClC1=NC2=C(C=CN=C2)O1 C72870 [0,0,0,1,0,1|2,0,0]=4 666 B11R2.10 FC1=NC2=C(C=CC=C2)S1 T71604 [0,0,0,1,0,1|1,1,0]=4 667 B11R2.10 N=C1CC2=C(C=CC=C2)N1 30671 [0,0,0,1,0,1|2,0,0]=4 668 B11R2.10 NC1=CC2=C(C=CC=C2)N1 79767 [0,0,0,1,0,1|2,0,0]=4 669 B11R2.10 NC1=CC2=C(C=CC=C2)N1 F13373 [0,0,0,1,0,1|2,0,0]=4 670 B11R2.10 O=C1C=C2C=CC=CN2N1 W16687 [0,0,0,1,0,1|2,0,0]=4 671 B11R2.10 O=C1CC2=C(C=CC=C2)S1 A51238 [0,0,0,1,0,1|0,1,0]=3 672 B11R2.10 O=C1CC2=C(C=NC=C2)N1 61718 [0,0,0,1,0,1|2,0,0]=4 673 B11R2.10 O=C1NC2=C(C=CC=N2)S1 C72885 [0,0,0,1,0,1|1,1,0]=4 674 B11R2.10 O=C1NC2=CC=CN=C2S1 F13119 [0,0,0,1,0,1|1,1,0]=4 675 B11R2.1 BrC1=CCC2=C1C=CC=C2 D78625 [0,1,0,1,0,0|2,0,0]=4 676 B11R2.1 CC1=C2C=CC=CC2=NO1 AC6101 [0,1,0,1,0,0|1,0,0]=3 677 B11R2.1 NC1=COC2=NC=CC=C12 N13337 [0,1,0,1,0,0|2,0,0]=4 678 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11926 [0,1,0,1,0,0|1,0,1]=4 679 B11R2.1 O=C1COC2=C1C=CC=N2 O11821 [0,1,0,1,0,0|1,0,0]=3 680 B11R2.1 OC1=C2C=CC=NC2=CN1 F18499 [0,1,0,1,0,0|2,0,0]=4 681 B11R2.1 OC1=CN=C2C=CC=CN12 F18394 [0,1,0,1,0,0|2,0,0]=4 682 B11R2.1 OC1=CNC2=C1C=CC=C2 F18139 [0,1,0,1,0,0|1,0,0]=3 683 B11R2.1 OC1=CSC2=C1C=CC=C2 C15915 [0,1,0,1,0,0|0,1,0]=3 684 B11R2.1 OC1=NSC2=NC=CC=C12 F30331 [0,1,0,1,0,0|1,1,0]=4 685 B11R2.1 ON1N=CC2=C1C=CC=C2 E70293 [0,1,0,1,0,0|2,0,0]=4 686 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [0,1,0,1,0,0|0,0,2]=4 687 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [0,1,0,1,0,0|1,0,1]=4 688 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 AT10463 [0,1,0,1,0,0|1,0,1]=4 689 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 CK2535 [0,1,0,1,0,0|1,0,1]=4 690 B7R1.1 O=CC1=CSN=C1 83208 [1,0,0,0,1,0|2,0,0]=4 691 B7R1.1 OCC1=CC=CN1 AT16114 [1,0,0,0,1,0|1,0,1]=4 692 B11R1.91 CC(=O)CCC1=CC=NC=C1 AT24518 [0,0,0,0,0,2|2,0,0]=4 693 B11R1.91 CC(=O)COC1=NC=CC=C1 AC9007 [0,0,0,0,0,2|2,0,0]=4 694 B11R1.91 N=C(N)NCC1=CC=CC=C1 S12114 [0,0,0,0,0,2|2,0,0]=4 695 B11R1.91 NC(=O)CCC1=NC=CC=C1 AC6900 [0,0,0,0,0,2|2,0,0]=4 696 B11R1.91 NC(N)=NCC1=CC=CC=C1 H10078 [0,0,0,0,0,2|2,0,0]=4 697 B11R1.91 O=C(O)CCC1=NC=CN=C1 N12623 [0,0,0,0,0,2|2,0,0]=4 698 B11R1.91 O=C(O)CSC1=NC=CC=C1 AT20604 [0,0,0,0,0,2|1,0,0]=3