0 B12R1.4 CC(=O)NC1=CC=C(C#N)C=C1 CS-0028724 [0,0,0,0,0,0|3,0,0]=3 1 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 CS-0059255 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.20 CC(=O)OC1=CC=C(N)C=C1 CS-M2732 [1,0,0,0,0,0|2,0,0]=3 3 B11R1.20 CC(C)OC1=CC=C(O)C=C1 CS-0000201 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.20 CC1=CN=C(CC(=O)O)C=C1 CS-0042617 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.20 NC1=CC=C(CC(=O)O)C=C1 CS-W018535 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.20 O=C(O)CC1=CC=C(Br)C=C1 CS-D0933 [1,0,0,0,0,0|2,0,0]=3 7 B11R1.83 CNCC1=CC=C(OC)C=C1 CS-D0566 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.83 COC1=CC=C(CNN)C=C1 CS-W018557 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.5 COC(=O)CC1=CC=C(C#N)C=C1 CS-W005340 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.36 COC1=CC=C(C(O)C(=O)O)C=C1 CS-W017120 [0,1,0,0,0,0|1,0,0]=2 11 B13R1.585 CC(=O)NC1=CC=C(B(O)O)C=C1 CS-D1684 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.585 CC(C)C1=CC=C(CC(=O)O)C=C1 CS-0030404 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.585 O=C(O)CC1=CC=C(B(O)O)C=C1 CS-0042847 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1 CS-D1370 [0,1,0,0,0,0|3,0,0]=4 15 B13R1.653 COC1=CC(Br)=C(CC(=O)O)C=C1 CS-W010257 [0,1,0,0,0,0|1,0,0]=2 16 B13R2.2121 COC1=CC2=CN(C)N=C2C=C1 CS-0045030 [0,0,0,1,0,0|3,0,0]=4 17 B13R2.2121 COC1=CC=C2C=C(I)SC2=C1 CS-B0374 [0,0,0,1,0,0|1,1,1]=4 18 B13R2.2121 COC1=CC=C2NC(C)=CC2=C1 CS-W008520 [0,0,0,1,0,0|2,0,0]=3 19 B13R2.2121 COC1=CC=C2SC(N)=NC2=C1 CS-0042967 [0,0,0,1,0,0|3,0,0]=4 20 B13R2.2121 N#CC1=CC2=C(C=C1)NC(=O)C2 CS-0054235 [0,0,0,1,0,0|3,0,0]=4 21 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 CS-0063791 [0,0,0,0,1,0|1,0,1]=3 22 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 CS-W007654 [0,0,0,0,1,0|2,0,1]=4 23 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 CS-0030581 [0,0,0,0,1,0|2,0,0]=3 24 B11R1.3 COC1=CC=C(C(N)=O)C=C1 CS-W022205 [0,0,0,0,1,0|1,0,0]=2 25 B11R1.3 COC1=CN=C(C(=O)O)C=N1 CS-W019666 [0,0,0,0,1,0|3,0,0]=4 26 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 CS-0063816 [0,0,0,0,1,0|1,1,0]=3 27 B11R1.3 NNC1=CC=C(C(=O)O)C=C1 CS-W018098 [0,0,0,0,1,0|3,0,0]=4 28 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 CS-W018162 [0,0,0,0,1,0|3,0,0]=4 29 B13R1.3 N#CC1=CC=C(CCC(=O)O)C=C1 CS-W008014 [0,0,0,0,0,1|3,0,0]=4 30 B10R1.1 N#CCC1=CC=C(O)C=C1 CS-W016539 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.1 OC1=CC=C(CCBr)C=C1 CS-W004888 [2,0,0,0,0,0|1,0,1]=4 32 B10R1.18 CC(=O)NC1=CC=CN=C1 CS-0100272 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.18 NC(=O)CC1=CC=CC=C1 CS-W018983 [2,0,0,0,0,0|1,0,0]=3 34 B10R1.18 NC(=O)OC1=CC=CC=C1 CS-0095625 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.18 O=C(O)CC1=CC=CC=N1 CS-W017541 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.3 C#CC1=CC=C(C=O)C=C1 CS-W008115 [2,0,0,0,0,0|1,0,1]=4 37 B10R1.3 CNC1=CC=C(OC)C=C1 CS-W013331 [2,0,0,0,0,0|1,0,0]=3 38 B10R1.3 COC1=CC=C(C#N)C=C1 CS-W013398 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.3 COC1=CC=C(NN)C=C1 CS-W007694 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.3 COC1=CC=C([N+]#N)C=C1 CS-W009319 [2,0,0,0,0,0|2,0,0]=4 41 B10R1.3 COC1=CN=C(C=O)C=C1 CS-W005343 [2,0,0,0,0,0|1,0,0]=3 42 B10R1.3 COC1=CN=C(C=O)C=N1 CS-0054598 [2,0,0,0,0,0|2,0,0]=4 43 B12R1.19 NC1=C(F)C=C(CC(=O)O)C=C1 CS-W022071 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.19 O=C(O)CC1=CC(Br)=C(F)C=C1 CS-W007630 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.19 O=C(O)CC1=CC(Cl)=C(F)C=C1 CS-W016774 [1,1,0,0,0,0|2,0,0]=4 46 B12R1.19 O=C(O)CC1=CC=C(Cl)C(Br)=C1 CS-0101078 [1,1,0,0,0,0|2,0,0]=4 47 B12R1.19 O=C(O)CC1=CC=C(Cl)C(F)=C1 CS-W021404 [1,1,0,0,0,0|2,0,0]=4 48 B12R1.20 CC(C(=O)O)C1=CC=C(O)C=C1 CS-0059228 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.20 NC(C(=O)O)C1=CC=C(Cl)C=C1 CS-W002237 [1,1,0,0,0,0|2,0,0]=4 50 B12R1.20 NC(C(=O)O)C1=CC=C(O)C=C1 CS-W005226 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(Cl)C=C1 CS-W022748 [1,1,0,0,0,0|2,0,0]=4 52 B12R1.20 O=C(O)C(O)C1=CC=C(F)C=C1 CS-0059151 [1,1,0,0,0,0|2,0,0]=4 53 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 CS-M1488 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.49 NNC(=O)CC1=CC=C(F)C=C1 CS-0039978 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.49 O=C(CCl)NC1=CC=C(Br)C=C1 CS-0064109 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.233 O=C(O)CC1=C(Cl)C=C(Br)C=C1 CS-W005417 [1,1,0,0,0,0|2,0,0]=4 57 B12R1.233 O=C(O)CC1=C(F)C=C(Br)C=C1 CS-W007916 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.233 O=C(O)CC1=CC=C(F)C=C1F CS-W020581 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.71 CCNCC1=CC=C(OC)C=C1 CS-D0586 [1,1,0,0,0,0|0,0,1]=3 60 B12R1.116 CCOC1=CC=C(OCC)C=C1 CS-0105156 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.288 COC1=C(F)C=C(CC#N)C=C1 CS-W021918 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.288 COC1=CC=C(CC#N)C=C1Br CS-0063831 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.48 CCC1=CC=C(C(=O)O)C=C1N CS-0030449 [0,1,0,0,1,0|2,0,0]=4 64 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 CS-W017706 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 CS-W023099 [0,1,0,0,1,0|2,0,0]=4 66 B12R1.48 COC1=CC=C(C(C)=O)C=C1F CS-W017811 [0,1,0,0,1,0|0,0,0]=2 67 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1F CS-0007667 [0,1,0,0,1,0|2,0,0]=4 68 B12R1.48 COC1=CC=C([N+](=O)[O-])C=C1O CS-B1762 [0,1,0,0,1,0|2,0,0]=4 69 B12R1.48 COC1=NC=C(C(=O)O)C=C1Br CS-0041802 [0,1,0,0,1,0|2,0,0]=4 70 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 CS-D1037 [0,1,0,0,1,0|2,0,0]=4 71 B12R1.256 CC(O)C1=CC=C(C(=O)O)C=C1 CS-W021982 [0,1,0,0,1,0|2,0,0]=4 72 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 CS-W005678 [0,1,0,0,1,0|1,0,0]=3 73 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 CS-W016876 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.452 COC1=CC=C(C(=O)O)C(F)=C1 CS-W002640 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.452 COC1=CC=C(C(=O)O)C(N)=C1 CS-B0778 [0,1,0,0,1,0|1,0,0]=3 76 B12R1.452 COC1=CC=C(C(C)=O)C(C)=C1 CS-0105511 [0,1,0,0,1,0|0,0,0]=2 77 B12R1.452 COC1=CC=C(C(C)=O)C(F)=C1 CS-W008763 [0,1,0,0,1,0|0,0,0]=2 78 B12R1.452 COC1=CC=C([N+](=O)[O-])C(F)=C1 CS-D1687 [0,1,0,0,1,0|2,0,0]=4 79 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 CS-0094254 [0,1,0,0,1,0|2,0,0]=4 80 B14R1.2879 COC(=O)CC1=CC=C([N+](=O)[O-])C=C1 CS-0038574 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC CS-M1302 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.5801 CC(=O)NC1=CC=C(C(C)=O)C(O)=C1 CS-W001565 [0,2,0,0,0,0|2,0,0]=4 83 B12R1.440 COC1=C(O)C(C(C)=O)=CC=C1 CS-0046269 [0,0,1,1,0,0|1,0,1]=4 84 B12R1.453 COC1=CC(C(C)=O)=C(Br)C=C1 CS-0045042 [0,0,1,1,0,0|1,0,1]=4 85 B12R2.606 CC1=CC2=C(C=C1)NC(=O)C2 CS-0005465 [1,0,0,1,0,0|1,0,0]=3 86 B12R2.606 CC1=CC2=C(C=C1)NC(C)=C2 CS-W007733 [1,0,0,1,0,0|2,0,0]=4 87 B12R2.606 CC1=CC2=CC(O)=CC=C2N1 CS-W017747 [1,0,0,1,0,0|2,0,0]=4 88 B12R2.606 CC1=CC=C2NC(=O)NC2=C1 CS-0045386 [1,0,0,1,0,0|2,0,0]=4 89 B12R2.606 CC1=NC2=C(C=CC(O)=C2)O1 CS-W021726 [1,0,0,1,0,0|2,0,0]=4 90 B12R2.606 NC1=CC2=C(C=C1)NC(=O)C2 CS-W010983 [1,0,0,1,0,0|2,0,0]=4 91 B12R2.606 O=C1CC2=C(C=C(F)C=C2)N1 CS-W019442 [1,0,0,1,0,0|2,0,0]=4 92 B12R2.606 O=C1CC2=CC=C(Br)C=C2C1 CS-W005800 [1,0,0,1,0,0|1,0,0]=3 93 B12R2.44 COC1=CC2=C(C=C1)N=CN2 CS-W010985 [1,0,0,1,0,0|2,0,0]=4 94 B12R2.44 COC1=CC2=C(C=CN2)C=C1 CS-D1149 [1,0,0,1,0,0|1,0,1]=4 95 B14R2.328 COC1=CC=C(CNC2CC2)C=C1 CS-0071268 [0,0,0,1,0,1|1,0,1]=4 96 B14R2.2332 COC1=CC=C2NC(=O)CSC2=C1 CS-0046231 [0,1,0,1,0,0|1,0,0]=3 97 B14R2.1008 O=C(O)CC1=CC2=C(C=C1)OCO2 CS-W007484 [0,1,0,1,0,0|1,0,0]=3 98 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 CS-M0929 [0,1,0,1,0,0|1,0,0]=3 99 B14R2.601 O=C1CC2=CC=C([N+](=O)[O-])C=C2C1 CS-B1154 [0,1,0,1,0,0|2,0,0]=4 100 B10R1.13 C=C(C)C1=CC=C(F)C=C1 CS-0069566 [1,0,0,0,1,0|2,0,0]=4 101 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS-W016264 [1,0,0,0,1,0|1,0,0]=3 102 B10R1.13 CC(=O)C1=CC=C(Cl)N=C1 CS-D0744 [1,0,0,0,1,0|2,0,0]=4 103 B10R1.13 CC(=O)C1=CC=C(N)C=C1 CS-W009534 [1,0,0,0,1,0|1,0,0]=3 104 B10R1.13 CC(=O)C1=CNC(=N)C=C1 CS-0044041 [1,0,0,0,1,0|2,0,0]=4 105 B10R1.13 CC(=O)C1=CNC(=O)C=C1 CS-W003737 [1,0,0,0,1,0|1,0,1]=4 106 B10R1.13 CC(=O)C1=NC=C(C)C=C1 CS-0005383 [1,0,0,0,1,0|1,0,0]=3 107 B10R1.13 CC1=CC=C([S@@](N)=O)C=C1 CS-W019426 [1,0,0,0,1,0|2,0,0]=4 108 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS-0043751 [1,0,0,0,1,0|2,0,0]=4 109 B10R1.13 CS(=O)C1=CC=C(Br)C=C1 CS-0096007 [1,0,0,0,1,0|2,0,0]=4 110 B10R1.13 CS(=O)C1=CC=C(F)C=C1 CS-0046847 [1,0,0,0,1,0|2,0,0]=4 111 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 CS-0103184 [1,0,0,0,1,0|1,0,1]=4 112 B10R1.13 Cc1ccc(C(C)C)cc1 CS-M3206 [1,0,0,0,1,0|1,0,1]=4 113 B10R1.13 NC(=O)C1=CC=C(F)C=C1 CS-W016478 [1,0,0,0,1,0|2,0,0]=4 114 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 CS-W016115 [1,0,0,0,0,1|1,0,1]=4 115 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 CS-W007646 [1,0,0,0,0,1|2,0,0]=4 116 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 CS-0035436 [1,0,0,0,0,1|2,0,0]=4 117 B12R1.438 CC(=O)CC1=CC(C#N)=CC=C1 CS-M0877 [0,0,0,0,1,1|2,0,0]=4 118 B14R1.4 COC1=CC=C(CCCC(=O)O)C=C1 CS-W022000 [0,0,0,0,0,2|1,0,0]=3 119 B14R1.4 COC1=CC=C(COCC(=O)O)C=C1 CS-W018970 [0,0,0,0,0,2|1,0,0]=3