0 B12R1.56 C#CC1=CC(C(=O)O)=CC=C1Cl CS-0609314 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.56 CC(=O)C1=CC=C(Br)C(C=O)=C1 CS-0370564 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.56 CC1=CC=C(C(=O)O)C=C1CN CS-0774295 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.56 COC1=C(F)C=CC([C@H](C)N)=C1 CS-0000362 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.56 COC1=CC(C(F)F)=CC=C1Br CS-0525382 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.56 COC1=NC(C(C)=O)=NC=C1F CS-0469139 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.21 CC(C)C1=CC=C(O)C(O)=C1 CS-0201149 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.21 CC1=C(Br)C=CC([C@@H](C)O)=C1 CS-0649744 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.21 CC1=C(Cl)C=C(C(=O)O)C=N1 CS-0130960 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.21 CC1=C(N)N=CC(C(=O)O)=C1 CS-0029961 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.21 CC1=C(O)C=C(C(N)=O)C=C1 CS-0824758 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.21 CC1=C(O)C=CC(C(C)C)=C1 CS-B1162 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.21 CC1=CC(C(=O)O)=NC=C1F CS-0534611 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.21 CC1=CC([N+](=O)[O-])=CC=C1Cl CS-0010836 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.21 CC1=NC([N+](=O)[O-])=CC=C1O CS-0130313 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.21 NC(=O)C1=CC=C(Cl)C(N)=C1 CS-0127989 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.21 NC(=O)C1=CC=C(I)C(O)=C1 CS-W020532 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.21 NC1=C(Br)N=C(C(=O)O)C=C1 CS-0225990 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.21 NC1=C(I)C=C(C(=O)O)C=C1 CS-W012469 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.21 NC1=C(I)C=C(C(=O)O)C=N1 CS-0135759 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.21 O=C(O)C1=CC(O)=C(I)N=C1 CS-0071735 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.21 O=C(O)C1=CC=C(F)C(=O)N1 CS-0136303 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.21 O=C(O)C1=NC(F)=C(Br)C=C1 CS-0534085 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.266 COC1=CC(C(=O)O)=CN=N1 CS-0050176 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.266 COC1=CN=CC(C(C)=O)=C1 CS-0155105 [1,0,0,0,0,0|2,0,0]=3 25 B11R1.266 COC1=CN=CC(C(C)=O)=N1 CS-0645975 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.266 COC1=NC=NC(C(=O)O)=C1 CS-W022509 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.266 N#CC1=CC(C(=O)O)=NC=C1 CS-0171512 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.280 COC1=C(C)C=NC(C=O)=C1 CS-0244993 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.280 COC1=CC(C#N)=CC=C1I CS-0377852 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.280 COC1=CC(C=O)=CC=C1N CS-0374694 [1,0,0,0,0,0|1,0,0]=2 31 B11R1.280 COC1=CC=C(N)C(OC)=C1 CS-0033846 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.280 COC1=NC(C=O)=CC=C1C CS-0888264 [1,0,0,0,0,0|2,0,0]=3 33 B13R1.13 CC(=O)C1=C(F)C=CC(C(=O)O)=C1 CS-0446958 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.13 CC(C)C1=C(O)C=CC(B(O)O)=C1 CS-0189731 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.13 O=C(O)C1=CC=C(Cl)C(C(F)F)=C1 CS-0753810 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.13 O=C(O)C1=CC=C(F)C(C(F)F)=C1 CS-0564778 [0,1,0,0,0,0|3,0,0]=4 37 B13R1.13 O=C(O)C1=CC=C(O)C([N+](=O)[O-])=C1 CS-W017067 [0,1,0,0,0,0|2,0,0]=3 38 B13R1.49 C#CC1=CC(C(=O)OC)=CC=C1Br CS-0999415 [0,1,0,0,0,0|2,0,1]=4 39 B13R1.49 C#CC1=CC(C(=O)OC)=CC=C1Cl CS-0637757 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.49 COC(=O)C1=CC(C=O)=C(C)C=C1 CS-0195886 [0,1,0,0,0,0|3,0,0]=4 41 B13R1.49 COC(=O)C1=CC=C(Cl)C(CO)=C1 CS-0534517 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.49 COC(=O)C1=NC(OC)=C(N)N=C1 CS-0850391 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.49 COC1=C(F)C=CC([C@@H](N)CO)=C1 CS-0438933 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.354 CCOC1=C(Br)C=CC([N+](=O)[O-])=C1 CS-W014120 [0,1,0,0,0,0|2,0,1]=4 45 B13R1.354 COCC1=CC(C(=O)O)=CC=C1Br CS-0616654 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.3091 COC1=C(C#N)C=CC(B(O)O)=C1 CS-W005859 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.3091 COC1=C(OC)N=C(C(C)=O)C=C1 CS-0089794 [0,1,0,0,0,0|2,0,0]=3 48 B13R1.3091 COC1=CC([N+](=O)[O-])=CC=C1C=O CS-0116394 [0,1,0,0,0,0|1,0,2]=4 49 B13R1.3230 COC1=C(Cl)C(B(O)O)=CC=C1F CS-0129364 [0,1,0,0,0,0|2,0,1]=4 50 B13R2.430 CC(=O)C1=CC2=C(C=C1)CCC2 CS-0147719 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.430 CC(=O)C1=CC=C2N=COC2=C1 CS-0637491 [0,0,0,1,0,0|2,0,1]=4 52 B13R2.430 CC(=O)C1=CC=C2OC=NC2=C1 CS-0637492 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.430 O=C(O)C1=CC2=C(C=C1)CNC2 CS-0183251 [0,0,0,1,0,0|3,0,0]=4 54 B11R1.64 COC1=C(C(=O)O)C=NN1C CS-0139461 [0,0,0,0,1,0|3,0,0]=4 55 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [2,0,0,0,0,0|1,0,0]=3 56 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS-W018028 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.176 CC1=C(F)C=CC(C=O)=N1 CS-0050476 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.176 CC1=CC(C=O)=CC=C1I CS-0883888 [2,0,0,0,0,0|1,0,0]=3 59 B10R1.176 CC1=CC(CO)=CC=C1Cl CS-0194584 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.176 CC1=CC(CO)=CC=C1I CS-0378772 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.176 COC1=CC=C(O)C(C)=C1 CS-W006115 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.176 OCC1=CC=C(I)C(O)=C1 CS-W018963 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.172 CSC1=CC=CC(CO)=C1 CS-0225753 [2,0,0,0,0,0|0,1,1]=4 64 B10R1.30 CNC1=CC(O)=CC=C1C CS-0187035 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.30 COC1=C(C)C=CC(I)=C1 CS-0153556 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.30 COC1=C(Cl)C=CC(N)=C1 CS-W016214 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.30 COC1=CC(F)=CC=C1I CS-0130922 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.30 COC1=CC(S)=CC=C1F CS-0568056 [2,0,0,0,0,0|1,1,0]=4 69 B10R1.30 OCC1=CC(O)=CC=C1O CS-0378114 [2,0,0,0,0,0|2,0,0]=4 70 B12R1.48 CC1=CC(C(=O)O)=CC=C1CN CS-1174475 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.48 COC1=C(C)N=C(C(=O)O)C=C1 CS-0195565 [1,1,0,0,0,0|1,0,0]=3 72 B12R1.48 COC1=C(I)N=C(C(=O)O)C=C1 CS-0308400 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.48 COC1=CC=C(C(C)=O)C=C1N CS-0227448 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.232 CC(=O)C1=C(F)C=C(O)C(Br)=C1 CS-0950849 [1,1,0,0,0,0|2,0,0]=4 75 B12R1.232 CC(=O)C1=CC(C)=C(Br)C=C1O CS-0356571 [1,1,0,0,0,0|2,0,0]=4 76 B12R1.232 CC1=CC(O)=C(O)C=C1[N+](=O)[O-] CS-0454948 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.232 NC1=CC(Br)=C(Br)C=C1C(=O)O CS-0028798 [1,1,0,0,0,0|2,0,0]=4 78 B12R1.232 O=C(O)C1=CC(Cl)=C(F)C=C1Cl CS-0566239 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.367 COC(=O)C1=CC(O)=C(Br)N=C1 CS-0568368 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.367 COC(=O)C1=CC=C(Cl)C(C)=C1 CS-0131366 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.367 COC(=O)C1=CN=C(O)C(C)=C1 CS-0454754 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.367 COC(=O)C1=NC(Cl)=C(O)C=C1 CS-0534528 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.367 NCC(=O)C1=CC=C(O)C(O)=C1 CS-0379782 [1,1,0,0,0,0|1,0,0]=3 84 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 CS-W016884 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.367 OCC(O)C1=CC(O)=C(O)C=C1 CS-W010782 [1,1,0,0,0,0|0,0,2]=4 86 B12R1.893 CC(=O)C1=CC=C(O)C(C)=C1N CS-M0970 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.893 CC(=O)C1=CC=C(O)C(F)=C1F CS-0651582 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.893 CC1=C(Br)C(C(=O)O)=CC=C1F CS-0572378 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.893 CC1=C(F)C(Br)=CC=C1C(=O)O CS-0193094 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.893 O=C(O)C1=C(Cl)C(F)=C(Cl)C=C1 CS-0193548 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1Cl CS-0469598 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.1005 CC1=C(Br)C=C(C(=O)O)C=C1F CS-0186786 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O CS-W017815 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.1005 O=C(O)C1=CC(Cl)=C(F)C(F)=C1 CS-0157721 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(F)=C1 CS-0904350 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.1005 O=C(O)C1=CC(F)=C(O)C(Cl)=C1 CS-0193871 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.11 CC1=CC(C#N)=CC(C(=O)O)=C1 CS-0036278 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.11 CCC1=CC(C(=O)O)=CC(F)=C1 CS-0641634 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.11 COC1=CC(C(=O)O)=NC(Cl)=N1 CS-0643019 [1,1,0,0,0,0|2,0,0]=4 100 B12R1.11 O=C(O)C1=CC(F)=CC(CO)=C1 CS-0157687 [1,1,0,0,0,0|2,0,0]=4 101 B12R1.11 O=CC1=CC(I)=CC(C(=O)O)=C1 CS-0541714 [1,1,0,0,0,0|2,0,0]=4 102 B12R1.258 CC(N)C1=CC(C(=O)O)=CC=C1 CS-0154115 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.279 COCC1=CC(B(O)O)=CC=C1 CS-0176150 [1,1,0,0,0,0|1,0,1]=4 104 B12R1.279 COCC1=NC(C(=O)O)=CC=C1 CS-0451565 [1,1,0,0,0,0|1,0,0]=3 105 B12R1.435 COC1=CC([C@H](N)CO)=CC=C1 CS-0162073 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.436 COC1=CC(S(C)(=N)=O)=CC=C1 CS-0645612 [1,1,0,0,0,0|2,0,0]=4 107 B12R1.436 COC1=CC=CC(S(C)(=N)=O)=C1 CS-0529717 [1,1,0,0,0,0|2,0,0]=4 108 B12R1.440 C#CC1=C(C)C(C(=O)O)=CC=C1 CS-0610631 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.440 CC1=C(C#N)C=CC=C1C(=O)O CS-0511595 [1,1,0,0,0,0|2,0,0]=4 110 B12R1.440 COC1=C(Cl)C(C(C)=O)=CC=C1 CS-0616864 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.440 COC1=CC=CC(B(O)O)=C1O CS-0174142 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.440 COC1=CC=CC(C(=O)O)=C1Cl CS-W016878 [1,1,0,0,0,0|0,0,0]=2 113 B12R1.440 O=CC1=C(Br)C(C(=O)O)=CC=C1 CS-0469281 [1,1,0,0,0,0|2,0,0]=4 114 B12R1.453 COC1=CC(C(=O)O)=C(F)C=N1 CS-D0436 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.453 COC1=CC(C(N)=O)=C(Br)C=C1 CS-0302587 [1,1,0,0,0,0|1,0,0]=3 116 B12R1.453 COC1=CC=C(N)C(C(N)=O)=N1 CS-0146032 [1,1,0,0,0,0|2,0,0]=4 117 B12R1.453 CSC1=CC=C(Br)C(C(=O)O)=C1 CS-1054818 [1,1,0,0,0,0|0,1,0]=3 118 B12R1.453 CSC1=CC=C(Cl)C(C(=O)O)=C1 CS-0087561 [1,1,0,0,0,0|0,1,0]=3 119 B12R1.453 CSC1=CC=C(Cl)C(C(N)=O)=C1 CS-0249795 [1,1,0,0,0,0|1,1,0]=4 120 B12R1.654 COC1=C(C)C=NC(C=O)=C1C CS-0183573 [1,1,0,0,0,0|2,0,0]=4 121 B12R1.654 COC1=C(O)C(C=O)=CC=C1O CS-0059753 [1,1,0,0,0,0|0,0,0]=2 122 B14R1.706 COC(=O)C1=C(C)C=CC(C(=O)O)=C1 CS-W018758 [0,2,0,0,0,0|1,0,0]=3 123 B14R1.358 COC(=O)C1=CC(Cl)=C(O)C(C#N)=C1 CS-0648582 [0,2,0,0,0,0|2,0,0]=4 124 B14R1.1864 COC1=CC=C(C(=O)NN)C=C1OC CS-0067928 [0,2,0,0,0,0|1,0,0]=3 125 B14R1.2283 COC(=O)C1=CC(OC)=C(N)C=C1C CS-0641490 [0,2,0,0,0,0|1,0,0]=3 126 B14R1.2283 COC(=O)C1=CC(OC)=C(N)C=C1Cl CS-0150610 [0,2,0,0,0,0|1,0,0]=3 127 B14R1.1851 COC1=C(OC)C=C([N+](=O)[O-])C(F)=C1 CS-0225127 [0,2,0,0,0,0|1,0,1]=4 128 B14R1.43 COC1=CC(C(=O)O)=CC=C1C(F)F CS-0864467 [0,2,0,0,0,0|1,0,0]=3 129 B14R1.2023 COC1=C(OC)C(C)=C(C(=O)O)C=C1 CS-M3413 [0,2,0,0,0,0|0,0,0]=2 130 B14R1.2023 COC1=C(OC)C(O)=C(C(=O)O)C=C1 CS-0036288 [0,2,0,0,0,0|0,0,0]=2 131 B12R2.44 O=CC1=CC=C2C=COC2=C1 CS-0173259 [1,0,0,1,0,0|1,0,1]=4 132 B12R2.44 OCC1=CC2=C(C=C1)CCO2 CS-0060648 [1,0,0,1,0,0|1,0,1]=4 133 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CO2 CS-0037045 [0,1,0,1,0,0|1,0,1]=4 134 B14R2.966 COC(=O)C1=CC=C2CCOC2=C1 CS-0045122 [0,1,0,1,0,0|1,0,0]=3 135 B14R2.8824 O=C(O)C1=CC(Br)=C2OCCC2=C1 CS-0373292 [0,1,0,1,0,0|1,0,0]=3 136 B14R2.601 NC1=NC2=CC(C(=O)O)=CC=C2O1 CS-0566263 [0,1,0,1,0,0|1,0,1]=4 137 B14R2.781 O=C(O)C1=CC=C2OCCNC2=C1 CS-0372624 [0,1,0,1,0,0|1,0,0]=3 138 B14R2.781 O=C(O)C1=CN=C2CCOCC2=C1 CS-0897383 [0,1,0,1,0,0|2,0,0]=4 139 B14R2.5998 O=C(O)C1=CC=C2OC=CC2=C1O CS-0038619 [0,1,0,1,0,0|1,0,1]=4 140 B10R1.194 CC1=C(C)C(C(=O)O)=CN1 CS-0910011 [1,0,0,0,1,0|2,0,0]=4 141 B10R1.31 COC1=CSC(C(=O)O)=C1 CS-0434710 [1,0,0,0,1,0|1,0,0]=3 142 B10R1.39 COC1=C(C(N)=O)SC=C1 CS-0302489 [1,0,0,0,1,0|2,0,0]=4 143 B10R1.39 COC1=CON=C1C(=O)O CS-0541556 [1,0,0,0,1,0|2,0,0]=4 144 B12R1.57 COC1=C(C(=O)O)C=CC(F)=N1 CS-0469749 [0,0,0,0,1,1|1,0,0]=3 145 B12R1.87 COC1=C(I)C=CC=C1C(=O)O CS-0372942 [0,0,0,0,1,1|1,0,0]=3 146 B14R1.42 COC1=C(Br)C=CC(CCC(=O)O)=C1 CS-0749854 [0,0,0,0,0,2|1,0,0]=3 147 B14R1.42 COC1=CC(CCC(=O)O)=CC=C1Cl CS-0908619 [0,0,0,0,0,2|1,0,0]=3