0 B12R2.252 O=C(O)C1=CC2=C(C=CO2)N1 CS-0071406 [0,0,0,0,0,0|0,1,0]=1 1 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 CS-0065213 [0,0,0,0,0,0|0,0,0]=0 2 B12R2.252 O=C(O)C1=CC2=C(C=CS2)S1 CS-0155512 [0,0,0,0,0,0|1,0,0]=1 3 B12R2.252 O=C(O)C1=CC2=C(CCC2)S1 CS-0036173 [0,0,0,0,0,0|2,0,2]=4 4 B12R2.252 O=C(O)C1=CC2=C(CSC2)S1 CS-W004513 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.252 O=C(O)C1=CN2C=CN=C2S1 CS-0043803 [0,0,0,0,0,0|4,0,0]=4 6 B12R2.252 OB(O)C1=CC2=C(C=CS2)S1 CS-0088143 [0,0,0,0,0,0|2,0,1]=3 7 B11R2.15 N#CC1=CC2=C(C=CS2)S1 CS-W004530 [1,0,0,0,0,0|2,0,1]=4 8 B11R2.15 O=CC1=CC2=C(C=CS2)S1 CS-W017797 [1,0,0,0,0,0|1,0,0]=2 9 B13R2.400 CC1=CC2=C(C=C(C(=O)O)N2)S1 CS-0042687 [0,1,0,0,0,0|0,0,0]=1 10 B13R2.531 COC(=O)C1=CC2=C(C=CS2)S1 CS-0378237 [0,1,0,0,0,0|1,0,0]=2 11 B11R1.35 N[C@@H](CC1=CC=CS1)C(=O)O CS-M3349 [0,0,1,0,0,0|0,0,2]=3 12 B11R1.35 N[C@@H](CC1=CSC=C1)C(=O)O CS-0199110 [0,0,1,0,0,0|2,0,1]=4 13 B11R1.35 N[C@H](CC1=CC=CS1)C(=O)O CS-M2655 [0,0,1,0,0,0|0,0,2]=3 14 B11R1.90 CC1=C(CCC(=O)O)SC=C1 CS-0076798 [0,0,1,0,0,0|1,0,2]=4 15 B11R1.90 CC1=C(\C=C\C(=O)O)SC=C1 CS-0076566 [0,0,1,0,0,0|1,0,0]=2 16 B11R1.90 CC1=C(\C=C\[N+](=O)[O-])SC=C1 CS-0163255 [0,0,1,0,0,0|2,0,1]=4 17 B11R1.90 CN1C=CC=C1\C=C\C(=O)O CS-0212697 [0,0,1,0,0,0|3,0,0]=4 18 B13R2.430 CC(=O)C1=CC2=C(C=C1)NC=C2 CS-0031407 [0,0,0,0,0,1|3,0,0]=4 19 B13R2.430 CC(=O)C1=CC2=C(C=CN2)C=C1 CS-0060852 [0,0,0,0,0,1|3,0,0]=4 20 B13R2.430 CC(=O)C1=CC=C2SC=NC2=C1 CS-0005567 [0,0,0,0,0,1|3,0,0]=4 21 B13R2.430 CC(=O)C1=CN=C2NC=CC2=C1 CS-0052658 [0,0,0,0,0,1|3,0,0]=4 22 B13R2.430 NC(=O)C1=CC=C2NC=CC2=C1 CS-W016161 [0,0,0,0,0,1|3,0,0]=4 23 B13R2.430 O=C(O)C1=CC2=C(C=C1)C=NN2 CS-0006078 [0,0,0,0,0,1|3,0,0]=4 24 B13R2.430 O=C(O)C1=CC2=C(C=C1)N=CS2 CS-W017274 [0,0,0,0,0,1|2,0,0]=3 25 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 CS-D1057 [0,0,0,0,0,1|2,0,0]=3 26 B13R2.430 O=C(O)C1=CC2=C(C=C1)NN=C2 CS-W020004 [0,0,0,0,0,1|3,0,0]=4 27 B13R2.430 O=C(O)C1=CC2=C(C=C1)OC=N2 CS-0043853 [0,0,0,0,0,1|2,1,0]=4 28 B13R2.430 O=C(O)C1=CC2=C(C=C1)SN=N2 CS-0211794 [0,0,0,0,0,1|3,0,0]=4 29 B13R2.430 O=C(O)C1=CC2=C(C=CN2)C=C1 CS-W016136 [0,0,0,0,0,1|2,0,0]=3 30 B13R2.430 O=C(O)C1=CC2=C(C=CN2)N=C1 CS-W007090 [0,0,0,0,0,1|1,0,1]=3 31 B13R2.430 O=C(O)C1=CC2=C(C=CO2)N=C1 CS-0155526 [0,0,0,0,0,1|0,1,1]=3 32 B13R2.430 O=C(O)C1=CC2=C(C=N1)NC=C2 CS-W021338 [0,0,0,0,0,1|2,0,0]=3 33 B13R2.430 O=C(O)C1=CC2=C(C=N1)OC=C2 CS-W022733 [0,0,0,0,0,1|1,1,0]=3 34 B13R2.430 O=C(O)C1=CC2=C(N=C1)NC=N2 CS-0043855 [0,0,0,0,0,1|2,0,1]=4 35 B13R2.430 O=C(O)C1=CC2=C(N=C1)NN=C2 CS-W021332 [0,0,0,0,0,1|3,0,0]=4 36 B13R2.430 O=C(O)C1=CC2=C(N=C1)SC=C2 CS-0047853 [0,0,0,0,0,1|1,0,0]=2 37 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 CS-0082383 [0,0,0,0,0,1|2,0,1]=4 38 B13R2.430 O=C(O)C1=CC2=CC=CN2C=N1 CS-0865852 [0,0,0,0,0,1|2,0,1]=4 39 B13R2.430 O=C(O)C1=CC2=CC=CN2N=C1 CS-0616056 [0,0,0,0,0,1|2,0,1]=4 40 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 CS-0021521 [0,0,0,0,0,1|3,0,0]=4 41 B13R2.430 O=C(O)C1=CC2=NC=CN2C=C1 CS-0049334 [0,0,0,0,0,1|3,0,0]=4 42 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 CS-0044128 [0,0,0,0,0,1|2,0,1]=4 43 B13R2.430 O=C(O)C1=CC=C2C=COC2=C1 CS-W020469 [0,0,0,0,0,1|1,1,0]=3 44 B13R2.430 O=C(O)C1=CC=C2N=CNC2=C1 CS-W002064 [0,0,0,0,0,1|3,0,0]=4 45 B13R2.430 O=C(O)C1=CC=C2N=COC2=C1 CS-D0343 [0,0,0,0,0,1|2,1,0]=4 46 B13R2.430 O=C(O)C1=CC=C2NC=CC2=N1 CS-0052492 [0,0,0,0,0,1|1,0,1]=3 47 B13R2.430 O=C(O)C1=CC=C2NN=CC2=N1 CS-0054693 [0,0,0,0,0,1|2,0,1]=4 48 B13R2.430 O=C(O)C1=CC=C2OC=CC2=C1 CS-W005955 [0,0,0,0,0,1|1,1,0]=3 49 B13R2.430 O=C(O)C1=CC=C2SC=CC2=C1 CS-B1177 [0,0,0,0,0,1|1,0,0]=2 50 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 CS-D0851 [0,0,0,0,0,1|2,0,0]=3 51 B13R2.430 O=C(O)C1=CN2C=CN=C2C=C1 CS-W005545 [0,0,0,0,0,1|3,0,0]=4 52 B13R2.430 O=C(O)C1=CN2C=CN=C2C=N1 CS-0043857 [0,0,0,0,0,1|3,0,0]=4 53 B13R2.430 O=C(O)C1=CN2C=CN=C2N=C1 CS-0035932 [0,0,0,0,0,1|3,0,0]=4 54 B13R2.430 O=C(O)C1=CN2N=CC=C2N=C1 CS-0048738 [0,0,0,0,0,1|2,0,1]=4 55 B13R2.430 O=C(O)C1=CN=C2C=CSC2=C1 CS-0006617 [0,0,0,0,0,1|0,0,1]=2 56 B13R2.430 O=C(O)C1=CN=C2C=NNC2=C1 CS-0052508 [0,0,0,0,0,1|2,0,1]=4 57 B13R2.430 O=C(O)C1=CN=C2NC=CC2=C1 CS-D0709 [0,0,0,0,0,1|2,0,0]=3 58 B13R2.430 O=C(O)C1=NC2=C(C=C1)N=CN2 CS-W021931 [0,0,0,0,0,1|2,0,1]=4 59 B13R2.430 O=C(O)C1=NC=C2C=CNC2=C1 CS-0052488 [0,0,0,0,0,1|1,0,1]=3 60 B13R2.430 O=C(O)C1=NC=C2C=CNC2=N1 CS-0080695 [0,0,0,0,0,1|2,0,1]=4 61 B13R2.430 O=C(O)C1=NC=C2C=NNC2=C1 CS-0052505 [0,0,0,0,0,1|2,0,1]=4 62 B13R2.430 O=[N+]([O-])C1=CC=C2SC=CC2=C1 CS-W006433 [0,0,0,0,0,1|2,0,1]=4 63 B13R2.430 OB(O)C1=CC=C2SC=CC2=C1 CS-0097079 [0,0,0,0,0,1|2,0,1]=4 64 B13R2.435 CC(=O)C1=CC2=C(C=CC=C2)N1 CS-W021190 [0,0,0,0,0,1|2,0,0]=3 65 B13R2.435 CC(=O)C1=CC2=CC=CC=C2O1 CS-0059232 [0,0,0,0,0,1|3,0,0]=4 66 B13R2.435 CC(=O)C1=CC2=CC=CC=C2S1 CS-D0712 [0,0,0,0,0,1|3,0,0]=4 67 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 CS-W023047 [0,0,0,0,0,1|3,0,0]=4 68 B13R2.435 NC(=O)C1=CC2=CC=CC=C2N1 CS-0149972 [0,0,0,0,0,1|2,0,0]=3 69 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 CS-0319675 [0,0,0,0,0,1|3,0,0]=4 70 B13R2.435 NC(=O)C1=NC2=CC=CC=C2N1 CS-W003248 [0,0,0,0,0,1|3,0,0]=4 71 B13R2.435 O=C(O)C1=CC2=C(C=CC=C2)N1 CS-M1850 [0,0,0,0,0,1|1,0,0]=2 72 B13R2.435 O=C(O)C1=CC2=C(C=CN=C2)N1 CS-D0022 [0,0,0,0,0,1|1,0,0]=2 73 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)N1 CS-W021336 [0,0,0,0,0,1|1,0,0]=2 74 B13R2.435 O=C(O)C1=CC2=C(C=NC=C2)S1 CS-W023027 [0,0,0,0,0,1|2,0,0]=3 75 B13R2.435 O=C(O)C1=CC2=C(CCCC2)N1 CS-0217389 [0,0,0,0,0,1|1,0,2]=4 76 B13R2.435 O=C(O)C1=CC2=C(N=CC=N2)N1 CS-0187938 [0,0,0,0,0,1|1,0,0]=2 77 B13R2.435 O=C(O)C1=CC2=CC=CC=C2O1 CS-W004676 [0,0,0,0,0,1|2,0,0]=3 78 B13R2.435 O=C(O)C1=CC2=CC=CC=C2S1 CS-W004876 [0,0,0,0,0,1|2,0,0]=3 79 B13R2.435 O=C(O)C1=CC2=CC=CN=C2N1 CS-D0705 [0,0,0,0,0,1|1,0,0]=2 80 B13R2.435 O=C(O)C1=CC2=CC=CN=C2S1 CS-0043678 [0,0,0,0,0,1|2,0,0]=3 81 B13R2.435 O=C(O)C1=CC2=CC=NC=C2O1 CS-0006616 [0,0,0,0,0,1|2,0,0]=3 82 B13R2.435 O=C(O)C1=CC2=NC=CC=C2N1 CS-W018616 [0,0,0,0,0,1|1,0,0]=2 83 B13R2.435 O=C(O)C1=CC2=NC=CC=C2S1 CS-0044767 [0,0,0,0,0,1|2,0,0]=3 84 B13R2.435 O=C(O)C1=CN2C=CC=CC2=C1 CS-0072759 [0,0,0,0,0,1|3,0,0]=4 85 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 CS-W008320 [0,0,0,0,0,1|2,0,1]=4 86 B13R2.435 O=C(O)C1=CN2C=CN=CC2=N1 CS-W003527 [0,0,0,0,0,1|2,0,1]=4 87 B13R2.435 O=C(O)C1=CN2N=CC=CC2=C1 CS-0134487 [0,0,0,0,0,1|3,0,0]=4 88 B13R2.435 O=C(O)C1=CN2N=CC=CC2=N1 CS-0006625 [0,0,0,0,0,1|2,0,1]=4 89 B13R2.435 O=C(O)C1=NC2=CC=CC=C2N1 CS-W002670 [0,0,0,0,0,1|2,0,0]=3 90 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 CS-W005062 [0,0,0,0,0,1|2,0,1]=4 91 B13R2.435 O=C(O)C1=NN2C=CC=CC2=C1 CS-W022940 [0,0,0,0,0,1|2,0,1]=4 92 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 CS-0133047 [0,0,0,0,0,1|2,0,1]=4 93 B13R2.435 O=C(O)C1CC2=C(C=CC=C2)N1 CS-M2631 [0,0,0,0,0,1|1,0,2]=4 94 B13R2.435 O=C(O)[C@@H]1CC2=C(C=CC=C2)N1 CS-M1849 [0,0,0,0,0,1|1,0,2]=4 95 B13R2.435 O=C(O)[C@H]1CC2=C(C=CC=C2)N1 CS-0006681 [0,0,0,0,0,1|1,0,2]=4 96 B13R2.543 O=C(O)CC1=CN2C=CSC2=N1 CS-0071786 [0,0,0,0,0,1|3,0,0]=4 97 B10R1.66 C(C(=O)O)=CC1=CC=CO1 CS-W013327 [1,0,1,0,0,0|0,1,0]=3 98 B10R1.66 O=C(O)C#CC1=CSC=C1 CS-0508992 [1,0,1,0,0,0|1,0,1]=4 99 B10R1.66 O=C(O)CCC1=CC=CS1 CS-0043395 [1,0,1,0,0,0|0,0,2]=4 100 B10R1.66 O=C(O)CCC1=CSC=C1 CS-0043393 [1,0,1,0,0,0|1,0,1]=4 101 B10R1.66 O=C(O)\C=C\C1=CC=CN1 CS-0253084 [1,0,1,0,0,0|1,0,0]=3 102 B10R1.66 O=C(O)\C=C\C1=CC=CO1 CS-0077003 [1,0,1,0,0,0|0,1,0]=3 103 B10R1.66 O=C(O)\C=C\C1=CC=CS1 CS-0058700 [1,0,1,0,0,0|0,0,0]=2 104 B10R1.66 O=C(O)\C=C\C1=CC=CS1 CS-W018039 [1,0,1,0,0,0|0,0,0]=2 105 B10R1.66 O=C(O)\C=C\C1=COC=C1 CS-0069679 [1,0,1,0,0,0|1,1,0]=4 106 B10R1.66 O=C(O)\C=C\C1=COC=C1 CS-0166739 [1,0,1,0,0,0|1,1,0]=4 107 B10R1.66 O=C(O)\C=C\C1=CSC=C1 CS-0038106 [1,0,1,0,0,0|1,0,0]=3 108 B10R1.66 O=C(O)\C=C\C1=CSC=C1 CS-0086036 [1,0,1,0,0,0|1,0,0]=3 109 B10R1.66 O=C(O)\C=C\C1=CSC=N1 CS-0311605 [1,0,1,0,0,0|2,0,0]=4 110 B10R1.66 O=C(O)\C=C\C1=NC=CS1 CS-0784772 [1,0,1,0,0,0|1,0,0]=3 111 B10R1.31 N#CC1=CC=C(C(=O)O)N1 CS-0223483 [1,0,1,0,0,0|1,0,1]=4 112 B10R1.31 O=CC1=CC=C(C(=O)O)N1 CS-0019291 [1,0,1,0,0,0|0,1,0]=3 113 B10R1.31 O=CC1=CC=C(C(=O)O)O1 CS-W005879 [1,0,1,0,0,0|1,1,0]=4 114 B10R1.31 O=CC1=CC=C(C(=O)O)S1 CS-0017900 [1,0,1,0,0,0|1,1,0]=4 115 B10R1.31 O=CC1=CNC(C(=O)O)=C1 CS-0372978 [1,0,1,0,0,0|1,0,0]=3 116 B10R1.58 O=C(O)C1=CC(Cl)=C(Cl)N1 CS-0060159 [1,0,1,0,0,0|2,0,0]=4 117 B10R2.2 O=C1NC2=C(N1)SC=C2 CS-0095545 [2,0,0,0,0,0|1,0,0]=3 118 B12R1.104 N[C@@H](CC1=CC=C(Br)S1)C(=O)O CS-0157765 [0,1,1,0,0,0|0,0,2]=4 119 B12R1.298 N#C\C(=C/C1=CSC=C1)C(=O)O CS-0577338 [0,1,1,0,0,0|1,0,1]=4 120 B14R2.601 CC1=CC2=C(C=C(C(=O)O)C=C2)N1 CS-0043734 [0,1,0,0,0,1|2,0,0]=4 121 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)N1 CS-0186660 [0,1,0,0,0,1|2,0,0]=4 122 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)S1 CS-W019372 [0,1,0,0,0,1|2,0,0]=4 123 B14R2.601 NC1=NC2=C(C=C(C(=O)O)C=C2)S1 CS-W019497 [0,1,0,0,0,1|2,0,0]=4 124 B14R2.601 O=C(O)C1=CC2=C(C=C1)N=C(Br)S2 CS-W005489 [0,1,0,0,0,1|2,0,0]=4 125 B14R2.601 O=C(O)C1=CC=C2N=C(Cl)SC2=C1 CS-W018474 [0,1,0,0,0,1|2,0,0]=4 126 B14R2.624 CC1=C(C(=O)O)C=C2C=CNC2=N1 CS-0002361 [0,1,0,0,0,1|2,0,0]=4 127 B14R2.624 O=C(O)C1=C(F)C=C2C=COC2=C1 CS-0043175 [0,1,0,0,0,1|1,1,0]=4 128 B14R2.624 O=C(O)C1=CC2=C(C=C1Cl)NC=C2 CS-0042962 [0,1,0,0,0,1|2,0,0]=4 129 B14R2.624 O=C(O)C1=CC2=C(C=CN2)C=C1Cl CS-0050543 [0,1,0,0,0,1|2,0,0]=4 130 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CS2 CS-0187525 [0,1,0,0,0,1|2,0,0]=4 131 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 CS-D1099 [0,1,0,0,0,1|2,0,0]=4 132 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=N2 CS-0197243 [0,1,0,0,0,1|2,0,0]=4 133 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 CS-W017455 [0,1,0,0,0,1|2,0,0]=4 134 B14R2.966 COC(=O)C1=CC2=C(C=N1)NC=C2 CS-0007701 [0,1,0,0,0,1|2,0,0]=4 135 B14R2.966 COC(=O)C1=CC=C2C=COC2=C1 CS-0044331 [0,1,0,0,0,1|1,1,0]=4 136 B14R2.966 COC(=O)C1=CC=C2OC=CC2=C1 CS-0150800 [0,1,0,0,0,1|1,1,0]=4 137 B14R2.966 COC(=O)C1=CC=C2SC=CC2=C1 CS-0056757 [0,1,0,0,0,1|1,0,0]=3 138 B14R2.966 COC(=O)C1=CN=C2C=CNC2=C1 CS-0049233 [0,1,0,0,0,1|1,0,1]=4 139 B14R2.966 COC(=O)C1=CN=C2NC=CC2=C1 CS-D0708 [0,1,0,0,0,1|2,0,0]=4 140 B14R2.966 COC(=O)C1=NC2=C(C=C1)NC=C2 CS-W006592 [0,1,0,0,0,1|1,0,1]=4 141 B14R2.5719 CC1=CNC2=C1C=CC(C(=O)O)=C2 CS-0054387 [0,1,0,0,0,1|2,0,0]=4 142 B14R2.5719 CN1C=CC2=C1C=CC(C(=O)O)=C2 CS-0073862 [0,1,0,0,0,1|2,0,0]=4 143 B14R2.5719 CN1C=CC2=CC(C(=O)O)=CN=C21 CS-0004410 [0,1,0,0,0,1|2,0,0]=4 144 B14R2.5719 O=C(O)C1=CC2=C(C=C1)C(Br)=CN2 CS-0044446 [0,1,0,0,0,1|2,0,0]=4 145 B14R2.5719 O=C(O)C1=CN=C2C(I)=CNC2=C1 CS-0611110 [0,1,0,0,0,1|1,0,1]=4 146 B14R2.5998 O=C(O)C1=C(Br)C2=C(C=CN2)C=C1 CS-0200234 [0,1,0,0,0,1|2,0,0]=4 147 B14R2.5998 O=C(O)C1=CN=C2C=CSC2=C1Cl CS-0050034 [0,1,0,0,0,1|0,0,1]=3 148 B14R2.5998 O=C(O)C1=CN=C2NC=CC2=C1Cl CS-M2751 [0,1,0,0,0,1|2,0,0]=4 149 B14R2.5998 O=C(O)C1=CNC2=C(SC=C2)C1=O CS-0198263 [0,1,0,0,0,1|0,0,0]=2 150 B14R2.8824 CC1=C2NC=CC2=CC(C(=O)O)=C1 CS-0050003 [0,1,0,0,0,1|2,0,0]=4 151 B14R2.8824 NC1=CC(C(=O)O)=CC2=C1C=CN2 CS-0163690 [0,1,0,0,0,1|2,0,0]=4 152 B14R2.8824 O=C(O)C1=CC(Br)=C2C=CNC2=C1 CS-0051013 [0,1,0,0,0,1|2,0,0]=4 153 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(Cl)=C1 CS-0050949 [0,1,0,0,0,1|2,0,0]=4 154 B14R2.8824 O=C(O)C1=CC2=C(C=CN2)C(F)=C1 CS-0131053 [0,1,0,0,0,1|2,0,0]=4 155 B14R2.24358 CC1=CNC2=C1C=C(C(=O)O)C=C2 CS-W006547 [0,1,0,0,0,1|2,0,0]=4 156 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 CS-0135275 [0,1,0,0,0,1|2,0,0]=4 157 B14R2.24358 O=C(O)C1=CN=C2NC=C(Br)C2=C1 CS-0055193 [0,1,0,0,0,1|2,0,0]=4 158 B14R2.24358 O=C(O)C1=CN=C2NC=C(I)C2=C1 CS-0055194 [0,1,0,0,0,1|2,0,0]=4 159 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 CS-0105028 [0,1,0,0,0,1|1,0,0]=3 160 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 CS-0021446 [0,1,0,0,0,1|2,0,0]=4 161 B14R2.450 CC1=C(C(=O)O)SC2=CC=CC=C21 CS-W015810 [0,1,0,0,0,1|2,0,0]=4 162 B14R2.450 CN1C(C(=O)O)=CC2=CC=CC=C21 CS-W007740 [0,1,0,0,0,1|1,0,0]=3 163 B14R2.450 NC1=C(C(=O)O)SC2=CC=CC=C21 CS-0270241 [0,1,0,0,0,1|2,0,0]=4 164 B14R2.450 O=C(O)C1=C(Br)C2=C(C=CC=C2)N1 CS-0038013 [0,1,0,0,0,1|1,0,0]=3 165 B14R2.450 O=C(O)C1=C(Br)C2=CC=CC=C2S1 CS-0215053 [0,1,0,0,0,1|2,0,0]=4 166 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)N1 CS-0044988 [0,1,0,0,0,1|1,0,0]=3 167 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2S1 CS-W014989 [0,1,0,0,0,1|2,0,0]=4 168 B14R2.972 COC(=O)C1=CC2=C(C=CC=C2)N1 CS-M2632 [0,1,0,0,0,1|1,0,0]=3 169 B14R2.972 COC(=O)C1=CC2=C(C=CN=C2)N1 CS-0183734 [0,1,0,0,0,1|1,0,0]=3 170 B14R2.972 COC(=O)C1=CC2=C(N=CC=C2)S1 CS-0316456 [0,1,0,0,0,1|2,0,0]=4 171 B14R2.972 COC(=O)C1=CC2=CC=CC=C2O1 CS-0150774 [0,1,0,0,0,1|2,0,0]=4 172 B14R2.972 COC(=O)C1=CC2=CC=CC=C2S1 CS-0043114 [0,1,0,0,0,1|2,0,0]=4 173 B14R2.972 COC(=O)C1=CC2=CC=CN=C2N1 CS-D0719 [0,1,0,0,0,1|1,0,0]=3 174 B14R2.972 COC(=O)C1=CC2=CC=NC=C2S1 CS-0210757 [0,1,0,0,0,1|2,0,0]=4 175 B14R2.972 COC(=O)C1=NC2=CC=CC=C2N1 CS-W022774 [0,1,0,0,0,1|2,0,0]=4 176 B14R2.4529 CC1=CC2=C(C=C1)C=C(C(=O)O)N2 CS-0018975 [0,1,0,0,0,1|1,0,0]=3 177 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 CS-W007370 [0,1,0,0,0,1|1,0,0]=3 178 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=N2 CS-0335792 [0,1,0,0,0,1|2,0,0]=4 179 B14R2.4529 CC1=CC=C2C=C(C(=O)O)OC2=C1 CS-0062592 [0,1,0,0,0,1|2,0,0]=4 180 B14R2.4529 CC1=CC=C2C=C(C(=O)O)SC2=C1 CS-0043148 [0,1,0,0,0,1|2,0,0]=4 181 B14R2.4529 CC1=CC=C2OC(C(=O)O)=CC2=C1 CS-0062601 [0,1,0,0,0,1|2,0,0]=4 182 B14R2.4529 CC1=NC=C2NC(C(=O)O)=CC2=C1 CS-0152779 [0,1,0,0,0,1|1,0,0]=3 183 B14R2.4529 NC(=O)C1=CC2=C(C=C(Cl)C=C2)N1 CS-0187198 [0,1,0,0,0,1|2,0,0]=4 184 B14R2.4529 NC(=O)C1=CC2=C(C=CC(Cl)=C2)N1 CS-0131086 [0,1,0,0,0,1|2,0,0]=4 185 B14R2.4529 NC1=CC2=C(C=C1)C=C(C(=O)O)N2 CS-0371080 [0,1,0,0,0,1|1,0,0]=3 186 B14R2.4529 NC1=CC=C2OC(C(=O)O)=CC2=C1 CS-M1933 [0,1,0,0,0,1|2,0,0]=4 187 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)N1 CS-W001118 [0,1,0,0,0,1|1,0,0]=3 188 B14R2.4529 O=C(O)C1=CC2=C(C=C(Br)C=C2)S1 CS-0053885 [0,1,0,0,0,1|2,0,0]=4 189 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 CS-0081874 [0,1,0,0,0,1|1,0,0]=3 190 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)O1 CS-0036482 [0,1,0,0,0,1|2,0,0]=4 191 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)N=C2)N1 CS-B1081 [0,1,0,0,0,1|1,0,0]=3 192 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 CS-W001533 [0,1,0,0,0,1|1,0,0]=3 193 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)S1 CS-0308828 [0,1,0,0,0,1|2,0,0]=4 194 B14R2.4529 O=C(O)C1=CC2=C(C=C(I)C=C2)N1 CS-0163350 [0,1,0,0,0,1|1,0,0]=3 195 B14R2.4529 O=C(O)C1=CC2=C(C=C(O)C=C2)N1 CS-W006192 [0,1,0,0,0,1|1,0,0]=3 196 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Br)=C2)N1 CS-W007593 [0,1,0,0,0,1|1,0,0]=3 197 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Br)=C2)N1 CS-W022300 [0,1,0,0,0,1|1,0,0]=3 198 B14R2.4529 O=C(O)C1=CC2=C(C=NC(Cl)=C2)N1 CS-0042991 [0,1,0,0,0,1|1,0,0]=3 199 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2O1 CS-0062572 [0,1,0,0,0,1|2,0,0]=4 200 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2S1 CS-0033871 [0,1,0,0,0,1|2,0,0]=4 201 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CN=C2N1 CS-0050645 [0,1,0,0,0,1|1,0,0]=3 202 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2N1 CS-W007385 [0,1,0,0,0,1|1,0,0]=3 203 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CC=C2O1 CS-W010579 [0,1,0,0,0,1|2,0,0]=4 204 B14R2.4529 O=C(O)C1=CC2=CC(Cl)=CN=C2N1 CS-0002367 [0,1,0,0,0,1|1,0,0]=3 205 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2N1 CS-W017282 [0,1,0,0,0,1|1,0,0]=3 206 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2O1 CS-0062578 [0,1,0,0,0,1|2,0,0]=4 207 B14R2.4529 O=C(O)C1=CC2=CC(F)=CC=C2S1 CS-0071295 [0,1,0,0,0,1|2,0,0]=4 208 B14R2.4529 O=C(O)C1=CC2=CC(F)=CN=C2N1 CS-0004680 [0,1,0,0,0,1|1,0,0]=3 209 B14R2.4529 O=C(O)C1=CC2=CC(O)=CC=C2N1 CS-W017375 [0,1,0,0,0,1|1,0,0]=3 210 B14R2.4529 O=C(O)C1=CC2=CC=C(Br)C=C2O1 CS-0005588 [0,1,0,0,0,1|2,0,0]=4 211 B14R2.4529 O=C(O)C1=CC2=CC=C(Cl)N=C2N1 CS-0002366 [0,1,0,0,0,1|1,0,0]=3 212 B14R2.4529 O=C(O)C1=CC2=CC=C(F)C=C2O1 CS-0102742 [0,1,0,0,0,1|2,0,0]=4 213 B14R2.4529 O=C(O)C1=CC2=CC=C(O)C=C2O1 CS-0062590 [0,1,0,0,0,1|2,0,0]=4 214 B14R2.4529 O=C(O)C1=CC2=NC(Br)=CC=C2N1 CS-0054656 [0,1,0,0,0,1|1,0,0]=3 215 B14R2.4529 O=C(O)C1=CC2=NC=C(Br)C=C2N1 CS-0050309 [0,1,0,0,0,1|1,0,0]=3 216 B14R2.4529 O=C(O)C1=NC2=CC(Br)=CC=C2N1 CS-D0219 [0,1,0,0,0,1|2,0,0]=4 217 B14R2.4529 O=C(O)C1=NC2=CC=C(Cl)C=C2N1 CS-0311699 [0,1,0,0,0,1|2,0,0]=4 218 B14R2.7969 CC1=C2C=C(C(=O)O)SC2=CC=C1 CS-0093886 [0,1,0,0,0,1|2,0,0]=4 219 B14R2.7969 CC1=C2NC(C(=O)O)=CC2=CC=C1 CS-W005593 [0,1,0,0,0,1|1,0,0]=3 220 B14R2.7969 CC1=C2OC(C(=O)O)=CC2=CC=C1 CS-0062591 [0,1,0,0,0,1|2,0,0]=4 221 B14R2.7969 CC1=CC=CC2=C1C=C(C(=O)O)N2 CS-W005497 [0,1,0,0,0,1|1,0,0]=3 222 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2O1 CS-0376037 [0,1,0,0,0,1|2,0,0]=4 223 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CC=C2S1 CS-0041386 [0,1,0,0,0,1|2,0,0]=4 224 B14R2.7969 O=C(O)C1=CC2=C(Br)C=CN=C2N1 CS-0163672 [0,1,0,0,0,1|1,0,0]=3 225 B14R2.7969 O=C(O)C1=CC2=C(Br)C=NC=C2S1 CS-0214811 [0,1,0,0,0,1|2,0,0]=4 226 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Br)N1 CS-0030481 [0,1,0,0,0,1|1,0,0]=3 227 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)N1 CS-0054251 [0,1,0,0,0,1|1,0,0]=3 228 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)O1 CS-0473297 [0,1,0,0,0,1|2,0,0]=4 229 B14R2.7969 O=C(O)C1=CC2=C(C=NC=C2F)S1 CS-0101670 [0,1,0,0,0,1|2,0,0]=4 230 B14R2.7969 O=C(O)C1=CC2=C(Cl)C=CC=C2S1 CS-0042145 [0,1,0,0,0,1|2,0,0]=4 231 B14R2.7969 O=C(O)C1=CC2=C(Cl)N=CN=C2N1 CS-0018822 [0,1,0,0,0,1|2,0,0]=4 232 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2N1 CS-W005389 [0,1,0,0,0,1|1,0,0]=3 233 B14R2.7969 O=C(O)C1=CC2=C(F)C=CC=C2S1 CS-0156991 [0,1,0,0,0,1|2,0,0]=4 234 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Br)=CC=C2 CS-W008408 [0,1,0,0,0,1|1,0,0]=3 235 B14R2.7969 O=C(O)C1=CC2=C(N1)C(Cl)=CC=C2 CS-0119394 [0,1,0,0,0,1|1,0,0]=3 236 B14R2.7969 O=C(O)C1=CC2=C(N1)C(F)=CC=C2 CS-W005660 [0,1,0,0,0,1|1,0,0]=3 237 B14R2.7969 O=C(O)C1=CC2=C(N1)C(O)=CC=C2 CS-0171481 [0,1,0,0,0,1|1,0,0]=3 238 B14R2.7969 O=C(O)C1=CC2=C(O1)C(Cl)=CC=C2 CS-0230324 [0,1,0,0,0,1|2,0,0]=4 239 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2O1 CS-0039517 [0,1,0,0,0,1|2,0,0]=4 240 B14R2.7969 O=C(O)C1=CC2=CC=CC(Br)=C2S1 CS-B0212 [0,1,0,0,0,1|2,0,0]=4 241 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2S1 CS-M1618 [0,1,0,0,0,1|2,0,0]=4 242 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2O1 CS-0614400 [0,1,0,0,0,1|2,0,0]=4 243 B14R2.7969 O=C(O)C1=CC2=CC=CC(F)=C2S1 CS-0129396 [0,1,0,0,0,1|2,0,0]=4 244 B14R2.7969 O=C(O)C1=CC2=CC=NC(Cl)=C2N1 CS-0050052 [0,1,0,0,0,1|1,0,0]=3 245 B14R2.7969 O=C(O)C1=CC2=NC=NC(Cl)=C2S1 CS-W006123 [0,1,0,0,0,1|2,0,0]=4 246 B14R2.839 CCOC(=O)C1=CC2=C(C=CS2)N1 CS-W018766 [0,2,0,0,0,0|0,0,0]=2 247 B14R2.839 CCOC(=O)C1=CC2=C(N1)SC=C2 CS-0151719 [0,2,0,0,0,0|2,0,0]=4 248 B14R2.10637 COC(=O)C1=CC2=C(N1)C(Br)=CS2 CS-0041353 [0,2,0,0,0,0|0,0,0]=2 249 B14R2.10637 O=C(O[Na])C1=CC2=C(N1)C(Br)=CS2 CS-0865829 [0,2,0,0,0,0|0,0,0]=2 250 B10R1.23 N[C@@H](C(=O)O)C1=CSC=C1 CS-W017970 [0,0,1,0,1,0|1,0,1]=4 251 B10R1.23 O=C(O)C(=O)C1=CC=CO1 CS-W016471 [0,0,1,0,1,0|1,1,0]=4 252 B12R1.43 C=C(CC1=CC=CC=C1)C(=O)O CS-W005088 [0,0,1,0,0,1|2,0,0]=4 253 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)O CS-W001011 [0,0,1,0,0,1|2,0,0]=4 254 B12R1.43 C\C(=C/C1=CC=CC=N1)C(=O)O CS-0090464 [0,0,1,0,0,1|2,0,0]=4 255 B12R1.125 C(C(=O)O)=CC1=CC=CC=C1Br CS-W014204 [0,0,1,0,0,1|2,0,0]=4 256 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)O CS-0152965 [0,0,1,0,0,1|2,0,0]=4 257 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br CS-0063883 [0,0,1,0,0,1|2,0,0]=4 258 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl CS-0076948 [0,0,1,0,0,1|2,0,0]=4 259 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl CS-W017082 [0,0,1,0,0,1|2,0,0]=4 260 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F CS-0076999 [0,0,1,0,0,1|2,0,0]=4 261 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1F CS-W014304 [0,0,1,0,0,1|2,0,0]=4 262 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O CS-W013247 [0,0,1,0,0,1|2,0,0]=4 263 B12R1.226 C(C(=O)O)=CC1=CC(O)=CC=C1 CS-W016091 [0,0,1,0,0,1|2,0,0]=4 264 B12R1.226 CC1=CC=CC(\C=C\C(=O)O)=C1 CS-M2096 [0,0,1,0,0,1|2,0,0]=4 265 B12R1.226 O=C(O)\C=C\C1=CC(I)=CC=C1 CS-0156901 [0,0,1,0,0,1|2,0,0]=4 266 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 CS-0001475 [0,0,1,0,0,1|2,0,0]=4 267 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 CS-0031419 [0,0,1,0,0,1|2,0,0]=4 268 B12R1.226 O=C(O)\C=C\C1=CC=CC(Cl)=C1 CS-0144932 [0,0,1,0,0,1|2,0,0]=4 269 B12R1.226 O=C(O)\C=C\C1=CC=CC(F)=C1 CS-W001956 [0,0,1,0,0,1|2,0,0]=4 270 B12R2.32 O=CC1=CC2=C(C=CC=N2)O1 CS-0055424 [1,0,0,0,0,1|2,0,0]=4 271 B12R2.32 O=CC1=CC2=C(C=CN=C2)N1 CS-0058435 [1,0,0,0,0,1|1,0,0]=3 272 B12R2.32 O=CC1=CC2=C(C=CN=C2)O1 CS-0376859 [1,0,0,0,0,1|2,0,0]=4 273 B12R2.32 O=CC1=CC2=C(C=CN=C2)S1 CS-0060710 [1,0,0,0,0,1|2,0,0]=4 274 B12R2.32 O=CC1=CC2=CC=CC=C2N1 CS-W016366 [1,0,0,0,0,1|1,0,0]=3 275 B12R2.32 O=CC1=CC2=CC=CC=C2O1 CS-W004842 [1,0,0,0,0,1|2,0,0]=4 276 B12R2.32 O=CC1=CC2=CC=CC=C2S1 CS-W007442 [1,0,0,0,0,1|2,0,0]=4 277 B12R2.32 O=CC1=CC2=CC=CN=C2N1 CS-0003988 [1,0,0,0,0,1|1,0,0]=3 278 B12R2.32 O=CC1=CC2=CC=CN=C2S1 CS-0084890 [1,0,0,0,0,1|2,0,0]=4 279 B12R2.32 O=CC1=CC2=CC=NC=C2N1 CS-0157274 [1,0,0,0,0,1|1,0,0]=3 280 B12R2.32 O=CC1=CC2=NC=CC=C2N1 CS-0131001 [1,0,0,0,0,1|1,0,0]=3 281 B12R2.32 O=CC1=NC2=CC=CC=C2N1 CS-W004873 [1,0,0,0,0,1|2,0,0]=4 282 B12R2.32 OCC1=CC2=C(C=CC=N2)N1 CS-0217471 [1,0,0,0,0,1|1,0,1]=4 283 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS-W004828 [1,0,0,0,0,1|1,0,1]=4 284 B12R2.32 OCC1=CC2=CC=NC=C2N1 CS-0157273 [1,0,0,0,0,1|1,0,1]=4 285 B12R2.44 O=CC1=CC2=C(C=N1)NC=C2 CS-W021337 [1,0,0,0,0,1|2,0,0]=4 286 B12R2.44 O=CC1=CC=C2C=CNC2=C1 CS-W000833 [1,0,0,0,0,1|2,0,0]=4 287 B12R2.44 O=CC1=CC=C2C=CSC2=C1 CS-W022578 [1,0,0,0,0,1|1,0,0]=3 288 B12R2.44 O=CC1=CC=C2N=CSC2=C1 CS-W019747 [1,0,0,0,0,1|2,0,0]=4 289 B12R2.44 O=CC1=CC=C2NC=CC2=C1 CS-D1053 [1,0,0,0,0,1|2,0,0]=4 290 B12R2.44 O=CC1=CC=C2OC=CC2=C1 CS-W008821 [1,0,0,0,0,1|1,1,0]=4 291 B12R2.44 O=CC1=CC=C2SC=CC2=C1 CS-0034908 [1,0,0,0,0,1|1,0,0]=3 292 B12R2.44 O=CC1=CC=C2SC=NC2=C1 CS-W019778 [1,0,0,0,0,1|2,0,0]=4 293 B12R2.44 O=CC1=CN=C2C=CNC2=C1 CS-0131047 [1,0,0,0,0,1|1,0,1]=4 294 B12R2.44 O=CC1=CN=C2NC=CC2=C1 CS-W020696 [1,0,0,0,0,1|2,0,0]=4 295 B12R2.44 O=CC1=NC=C2OC=CC2=C1 CS-0155525 [1,0,0,0,0,1|1,1,0]=4 296 B12R2.44 OCC1=CC=C2SC=CC2=C1 CS-0052635 [1,0,0,0,0,1|1,0,1]=4 297 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS-W007437 [0,0,0,0,0,2|2,0,0]=4 298 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=N1 CS-0031353 [0,0,0,0,0,2|1,0,1]=4 299 B14R2.781 O=C(O)C1=CC2=CC=CC=C2N=C1 CS-W007519 [0,0,0,0,0,2|1,0,1]=4 300 B14R2.781 O=C(O)C1=CC2=CC=CC=C2OC1 CS-0155993 [0,0,0,0,0,2|2,0,0]=4 301 B14R2.781 O=C(O)C1=CC2=CC=NC=C2C=C1 CS-W003692 [0,0,0,0,0,2|2,0,0]=4 302 B14R2.781 O=C(O)C1=CC2=CN=CC=C2C=C1 CS-0039143 [0,0,0,0,0,2|2,0,0]=4 303 B14R2.781 O=C(O)C1=CC=C2C=CC=NC2=C1 CS-D0464 [0,0,0,0,0,2|2,0,0]=4 304 B14R2.781 O=C(O)C1=CC=C2N=CC=CC2=C1 CS-W004855 [0,0,0,0,0,2|2,0,0]=4 305 B14R2.781 O=C(O)C1=CC=C2N=CC=NC2=C1 CS-D1100 [0,0,0,0,0,2|2,0,0]=4 306 B14R2.781 O=C(O)C1=CN=C2C=CN=CC2=C1 CS-0216897 [0,0,0,0,0,2|1,0,1]=4 307 B14R2.781 O=C(O)C1=NC2=C(C=CC=C2)C=C1 CS-W002011 [0,0,0,0,0,2|1,0,1]=4 308 B14R2.781 O=C(O)C1=NC2=CC=CC=C2N=C1 CS-W002071 [0,0,0,0,0,2|1,0,1]=4 309 B14R2.781 O=C(O)C1=NC2=CC=NC=C2C=C1 CS-D0176 [0,0,0,0,0,2|1,0,1]=4 310 B14R2.1008 O=C(O)CC1=CC2=C(C=CN2)C=C1 CS-W021376 [0,0,0,0,0,2|2,0,0]=4 311 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2N1 CS-W018701 [0,0,0,0,0,2|1,0,0]=3 312 B14R2.768 O=C(O)CC1=CC2=CC=CC=C2O1 CS-0138270 [0,0,0,0,0,2|2,0,0]=4 313 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 CS-0037477 [0,0,0,0,0,2|2,0,0]=4