0 B14R1.101 CCC1=C(NC(C)=O)C=CC(C#N)=C1 SBB058913 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.101 COC1=C(OC(C)=O)C=CC(C#N)=C1 SBB028838 [0,0,0,0,0,0|1,0,1]=2 2 B14R1.101 COC1=CC(C=O)=CC=C1OC(C)=O SBB040262 [0,0,0,0,0,0|0,0,0]=0 3 B14R1.101 COC1=CC(C=O)=CC=C1OC(C)C SBB000331 [0,0,0,0,0,0|1,0,1]=2 4 B14R1.101 COC1=CC(C=O)=CC=C1OC(F)F SBB009330 [0,0,0,0,0,0|2,0,1]=3 5 B14R1.101 COC1=CC(CN)=CC=C1OC(C)C SBB080338 [0,0,0,0,0,0|2,0,2]=4 6 B14R1.101 COC1=CC=C(CC(=O)O)C(OC)=C1 SBB042699 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.51 COC1=C(OC(C)C)C=CC(N)=C1 SBB007508 [1,0,0,0,0,0|2,0,1]=4 8 B13R1.51 COC1=CC(N)=CC=C1NC(C)=O SBB072838 [1,0,0,0,0,0|2,0,0]=3 9 B13R1.653 O=CC1=CC(O)=C(OC(F)F)C=C1 SBB052174 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.1249 CCOC1=C(CCl)C=C(C=O)C=C1 SBB017339 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.1249 CCOC1=C(OC)C=C(C#N)C=C1 SBB028805 [1,0,0,0,0,0|1,0,2]=4 12 B13R1.1249 CCOC1=C(OC)C=C(C=O)C=C1 SBB016655 [1,0,0,0,0,0|0,0,1]=2 13 B13R1.1249 CCOC1=CC=C(C=O)C=C1CO SBB301676 [1,0,0,0,0,0|2,0,1]=4 14 B15R1.37 C(F)(F)OC1=CC=C(C(N)=O)C=C1OC SBB047073 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.37 CC(=O)OC1=C(C#N)C=C([N+](=O)[O-])C=C1 SBB035921 [0,1,0,0,0,0|3,0,0]=4 16 B15R1.37 COC1=C(OC(F)F)C=CC(C(C)=O)=C1 SBB021379 [0,1,0,0,0,0|2,0,1]=4 17 B15R1.37 COC1=CC(C(=O)Cl)=CC=C1OC(F)F SBB023065 [0,1,0,0,0,0|2,0,1]=4 18 B15R1.37 COC1=CC(C(=O)O)=CC=C1OC(C)C SBB019479 [0,1,0,0,0,0|1,0,1]=3 19 B15R1.37 COC1=CC(C(=O)O)=CC=C1OC(F)F SBB009386 [0,1,0,0,0,0|2,0,1]=4 20 B15R1.37 COC1=CC(C(C)=O)=CC=C1OC(C)=O SBB056644 [0,1,0,0,0,0|0,0,0]=1 21 B15R1.594 COC1=C(OC(C)=O)C=CC(\C=N\O)=C1 SBB028835 [0,1,0,0,0,0|0,0,1]=2 22 B15R1.594 COC1=C(OC(C)C)C=CC(\C=N\O)=C1 SBB028849 [0,1,0,0,0,0|1,0,2]=4 23 B15R1.712 COC1=C(OC(C)=O)C(Br)=CC(C=O)=C1 SBB019941 [0,1,0,0,0,0|0,0,0]=1 24 B15R1.712 COC1=C(OC(C)=O)C(Cl)=CC(C#N)=C1 SBB029079 [0,1,0,0,0,0|1,0,1]=3 25 B15R1.712 COC1=C(OC(C)=O)C(Cl)=CC(C=O)=C1 SBB019923 [0,1,0,0,0,0|0,0,0]=1 26 B15R1.712 COC1=C(OC(C)=O)C(I)=CC(C=O)=C1 SBB020054 [0,1,0,0,0,0|0,0,0]=1 27 B15R1.712 COC1=C(OC(C)C)C(Cl)=CC(C=O)=C1 SBB019925 [0,1,0,0,0,0|1,0,1]=3 28 B15R1.712 COC1=C(OC(C)C)C(I)=CC(C=O)=C1 SBB020056 [0,1,0,0,0,0|1,0,1]=3 29 B15R1.712 COC1=CC(C#N)=CC(Br)=C1OC(C)=O SBB016325 [0,1,0,0,0,0|1,0,1]=3 30 B15R1.712 COC1=CC(C=O)=CC(Br)=C1OC(C)C SBB016327 [0,1,0,0,0,0|1,0,1]=3 31 B15R1.1822 COC1=C(OC(C)=O)C=C(Br)C(C#N)=C1 SBB029391 [0,1,0,0,0,0|1,0,1]=3 32 B15R1.1822 COC1=C(OC(C)=O)C=C(Br)C(C=O)=C1 SBB019986 [0,1,0,0,0,0|0,0,0]=1 33 B15R1.1822 COC1=C(OC(C)C)C=C(Br)C(C=O)=C1 SBB019988 [0,1,0,0,0,0|1,0,1]=3 34 B15R1.1822 COC1=C(OC(C)C)C=C(Cl)C(C=O)=C1 SBB023441 [0,1,0,0,0,0|1,0,1]=3 35 B15R1.1902 CCC(=O)OC1=C(OC)C=C(C=O)C=C1 SBB020861 [0,1,0,0,0,0|0,0,0]=1 36 B15R1.1902 COC(=O)CC1=CC=C(OC)C=C1OC SBB018598 [0,1,0,0,0,0|3,0,0]=4 37 B15R1.1902 COC1=CC=C(NC(=O)CCl)C(OC)=C1 SBB004525 [0,1,0,0,0,0|3,0,0]=4 38 B15R1.9239 CCOC1=C(OC(C)=O)C=CC(C#N)=C1 SBB028919 [0,1,0,0,0,0|1,0,1]=3 39 B15R1.9239 CCOC1=C(OC(C)=O)C=CC(C=O)=C1 SBB019906 [0,1,0,0,0,0|0,0,0]=1 40 B15R1.9239 CCOC1=C(OC(F)F)C=CC(C=O)=C1 SBB016161 [0,1,0,0,0,0|2,0,1]=4 41 B15R1.9239 CCOC1=CC(C=O)=CC=C1OC(C)C SBB019520 [0,1,0,0,0,0|1,0,1]=3 42 B15R1.9239 COCC1=CC(C=O)=CC=C1OC(C)C SBB300784 [0,1,0,0,0,0|1,0,1]=3 43 B15R2.4779 CC1(C)CCC2=C(C=CC(C=O)=C2)O1 SBB091140 [0,0,0,1,0,0|2,0,1]=4 44 B13R1.99 COC1=CC=C(C(=O)O)C(OC)=C1 SBB063086 [0,0,0,0,1,0|3,0,0]=4 45 B13R1.99 COC1=CC=C(C(C)=O)C(OC)=C1 SBB063154 [0,0,0,0,1,0|2,0,0]=3 46 B15R1.1904 COC1=C(OCC(=O)O)C=CC(C#N)=C1 SBB028819 [0,0,0,0,0,1|2,0,1]=4 47 B15R1.1904 COC1=C(OCC(=O)O)C=CC(C=O)=C1 SBB019897 [0,0,0,0,0,1|1,0,0]=2 48 B15R1.1904 COC1=C(OCC(F)F)C=CC(C=O)=C1 SBB073426 [0,0,0,0,0,1|2,0,1]=4 49 B15R1.1904 COC1=C(OCC(N)=O)C=CC(C=O)=C1 SBB009162 [0,0,0,0,0,1|1,0,0]=2 50 B15R1.1904 COC1=CC(C=O)=CC=C1OCC(C)C SBB019519 [0,0,0,0,0,1|1,0,1]=3 51 B12R1.75 CC(=O)OC1=C(CN)C=CC=C1 SBB051628 [2,0,0,0,0,0|2,0,0]=4 52 B12R1.75 CCC1=C(NC(C)=O)C=CC=C1 SBB058947 [2,0,0,0,0,0|2,0,0]=4 53 B12R1.75 COC1=CC=CC=C1CC(=O)O SBB063364 [2,0,0,0,0,0|2,0,0]=4 54 B12R1.75 COC1=CC=CC=C1NC(N)=O SBB087990 [2,0,0,0,0,0|2,0,0]=4 55 B12R1.233 CC(=O)NC1=CC=C(Cl)C=C1C SBB090089 [2,0,0,0,0,0|2,0,0]=4 56 B12R1.233 CC(=O)NC1=CC=C(N)C=C1C SBB017958 [2,0,0,0,0,0|2,0,0]=4 57 B12R1.233 N(C(C)=O)C1=C(C)C=C(Br)C=C1 SBB005784 [2,0,0,0,0,0|2,0,0]=4 58 B12R1.4 C(=O)C1=CC=C(OC(C)=O)C=C1 SBB008231 [2,0,0,0,0,0|0,0,0]=2 59 B12R1.4 CC(=O)NC1=CC=C(C=O)C=C1 SBB058823 [2,0,0,0,0,0|1,0,0]=3 60 B12R1.4 CC(C)OC1=CC=C(C=O)C=C1 SBB019521 [2,0,0,0,0,0|1,0,1]=4 61 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 SBB006784 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 SBB028801 [2,0,0,0,0,0|1,0,1]=4 63 B12R1.78 COC1=C(OC)C=C(CN)C=C1 SBB042487 [2,0,0,0,0,0|1,0,1]=4 64 B12R1.78 COC1=C(OC)C=C(CO)C=C1 SBB058837 [2,0,0,0,0,0|0,0,2]=4 65 B12R1.78 COC1=CC=C(C=O)C(OC)=C1 SBB040221 [2,0,0,0,0,0|2,0,0]=4 66 B12R1.78 COC1=CC=C(C=O)C=C1CO SBB300126 [2,0,0,0,0,0|2,0,0]=4 67 B12R1.78 COC1=CC=C(C=O)C=C1OC SBB040236 [2,0,0,0,0,0|0,0,0]=2 68 B14R1.3417 COC(=O)NC1=C(OC)C=C(N)C=C1 SBB072875 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.124 CC(=O)NC1=C(Br)C=C(C(C)=O)C=C1 SBB058022 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.124 CC(=O)NC1=C(Cl)C=C(C(=O)O)C=C1 SBB094851 [1,1,0,0,0,0|2,0,0]=4 71 B14R1.1355 C#CCOC1=C(OC)C=C(C=O)C=C1 SBB010822 [1,1,0,0,0,0|0,0,2]=4 72 B14R1.1355 C=CCOC1=CC=C(C=O)C=C1OC SBB028636 [1,1,0,0,0,0|0,0,1]=3 73 B14R1.1355 CCCOC1=CC=C(C=O)C=C1OC SBB000330 [1,1,0,0,0,0|0,0,1]=3 74 B14R1.1355 COC1=C(OCC#N)C=CC(C=O)=C1 SBB019899 [1,1,0,0,0,0|0,0,2]=4 75 B14R1.1355 COC1=C(OCCO)C=CC(C=O)=C1 SBB009232 [1,1,0,0,0,0|0,0,1]=3 76 B14R1.5236 CCOC1=CC=C(C=O)C=C1OCC SBB016658 [1,1,0,0,0,0|0,0,1]=3 77 B14R1.6788 CCOC1=C(OC)C=C(\C=N\O)C=C1 SBB028802 [1,1,0,0,0,0|0,0,2]=4 78 B14R1.14885 CCOC1=C(Br)C=C(C=O)C=C1OC SBB015921 [1,1,0,0,0,0|0,0,1]=3 79 B14R1.14885 CCOC1=C(Cl)C=C(C=O)C=C1OC SBB019918 [1,1,0,0,0,0|0,0,1]=3 80 B14R1.14885 CCOC1=C(OC)C=C(C=O)C=C1I SBB020048 [1,1,0,0,0,0|0,0,1]=3 81 B14R1.15070 CCOC1=C(OC)C=C(C=O)C(Br)=C1 SBB019980 [1,1,0,0,0,0|0,0,1]=3 82 B14R1.15070 CCOC1=C(OC)C=C(C=O)C(Cl)=C1 SBB023439 [1,1,0,0,0,0|0,0,1]=3 83 B14R1.43 COC1=C(C(=O)O)C=CC([N+](=O)[O-])=C1 SBB028521 [0,1,0,0,1,0|2,0,0]=4 84 B14R1.43 COC1=C([N+](=O)[O-])C=CC(C(=O)O)=C1 SBB052778 [0,1,0,0,1,0|2,0,0]=4 85 B14R1.577 COC1=CC(OC)=C(C(C)=O)C(O)=C1 SBB071509 [0,1,0,0,1,0|2,0,0]=4 86 B14R1.2293 COC1=CC(OC)=C(C(C)=O)C=C1Cl SBB018742 [0,1,0,0,1,0|2,0,0]=4 87 B16R1.9044 CCOC1=C(OCC(=O)O)C=CC(C=O)=C1 SBB007012 [0,1,0,0,0,1|1,0,0]=3 88 B16R1.9044 CCOC1=C(OCC(C)C)C=CC(C=O)=C1 SBB023542 [0,1,0,0,0,1|1,0,1]=4 89 B16R1.9044 CCOC1=C(OCC(N)=O)C=CC(C=O)=C1 SBB011505 [0,1,0,0,0,1|1,0,0]=3 90 B16R1.13466 COC1=C(OCC(=O)O)C=CC(\C=N\O)=C1 SBB028815 [0,1,0,0,0,1|1,0,1]=4 91 B16R1.13466 C\C=C\C1=CC=C(OCC(=O)O)C(OC)=C1 SBB004544 [0,1,0,0,0,1|2,0,0]=4 92 B16R1.14579 COC1=C(OCC(=O)O)C(Br)=CC(C=O)=C1 SBB019938 [0,1,0,0,0,1|1,0,0]=3 93 B16R1.14579 COC1=C(OCC(=O)O)C(Cl)=CC(C=O)=C1 SBB019921 [0,1,0,0,0,1|1,0,0]=3 94 B16R1.14579 COC1=C(OCC(=O)O)C(I)=CC(C=O)=C1 SBB020051 [0,1,0,0,0,1|1,0,0]=3 95 B16R1.14579 COC1=C(OCC(C)C)C(Br)=CC(C=O)=C1 SBB023544 [0,1,0,0,0,1|1,0,1]=4 96 B16R1.14579 COC1=C(OCC(N)=O)C(Br)=CC(C=O)=C1 SBB019971 [0,1,0,0,0,1|1,0,0]=3 97 B16R1.14579 COC1=C(OCC(N)=O)C(Cl)=CC(C=O)=C1 SBB019947 [0,1,0,0,0,1|1,0,0]=3 98 B16R1.14579 COC1=CC(C=O)=CC(I)=C1OCC(N)=O SBB020076 [0,1,0,0,0,1|1,0,0]=3 99 B16R1.18494 COC1=C(OCC(=O)O)C=CC(C(=O)O)=C1 SBB023655 [0,1,0,0,0,1|1,0,0]=3 100 B16R1.18494 COC1=C(OCC(=O)O)C=CC(C(C)=O)=C1 SBB015321 [0,1,0,0,0,1|1,0,0]=3 101 B16R1.18494 COC1=C(OCC(C)C)C=CC(C(=O)O)=C1 SBB023601 [0,1,0,0,0,1|1,0,1]=4 102 B16R1.20052 COC1=C(OCC(=O)O)C=C(Br)C(C=O)=C1 SBB019983 [0,1,0,0,0,1|1,0,0]=3 103 B16R1.20052 COC1=C(OCC(=O)O)C=C(Cl)C(C=O)=C1 SBB023504 [0,1,0,0,0,1|1,0,0]=3 104 B16R1.20052 COC1=C(OCC(N)=O)C=C(Cl)C(C=O)=C1 SBB023451 [0,1,0,0,0,1|1,0,0]=3 105 B16R1.20052 COC1=CC(C=O)=C(Br)C=C1OCC(N)=O SBB020017 [0,1,0,0,0,1|1,0,0]=3 106 B16R1.20196 COC1=C(OC(C)C(=O)O)C=CC(C=O)=C1 SBB013756 [0,1,0,0,0,1|1,0,0]=3 107 B16R1.20197 COC(=O)COC1=C(OC)C=C(C=O)C=C1 SBB023614 [0,1,0,0,0,1|0,0,0]=2 108 B16R1.438 COC1=C(OC(C)C)C(Cl)=CC(C(=O)O)=C1 SBB023634 [0,2,0,0,0,0|1,0,1]=4 109 B16R1.18493 COC1=CC([N+](=O)[O-])=CC=C1NC(=O)CCl SBB023476 [0,2,0,0,0,0|2,0,0]=4 110 B16R1.20023 COC1=C(OC(C)C)C=C(Cl)C(C(=O)O)=C1 SBB023604 [0,2,0,0,0,0|1,0,1]=4 111 B16R1.1260 C(=O)\C=C/C1=CC=C(OC(C)=O)C(OC)=C1 SBB003356 [0,2,0,0,0,0|0,0,0]=2 112 B16R1.4178 COC1=C(OC(C)=O)C(Br)=CC(\C=N\O)=C1 SBB029218 [0,2,0,0,0,0|0,0,1]=3 113 B16R1.4178 COC1=C(OC(C)=O)C(Cl)=CC(\C=N\O)=C1 SBB029075 [0,2,0,0,0,0|0,0,1]=3 114 B16R1.4781 COC1=C(OC(C)=O)C=CC(CC(=O)O)=C1 SBB000634 [0,2,0,0,0,0|0,0,0]=2 115 B16R1.4050 CCOC1=C(OC(C)=O)C(Br)=CC(C#N)=C1 SBB019956 [0,2,0,0,0,0|1,0,1]=4 116 B16R1.4050 CCOC1=C(OC(C)=O)C(Br)=CC(C=O)=C1 SBB019955 [0,2,0,0,0,0|0,0,0]=2 117 B16R1.4050 CCOC1=C(OC(C)=O)C(Cl)=CC(C#N)=C1 SBB029153 [0,2,0,0,0,0|1,0,1]=4 118 B16R1.4050 CCOC1=C(OC(C)=O)C(Cl)=CC(C=O)=C1 SBB029148 [0,2,0,0,0,0|0,0,0]=2 119 B16R1.4050 CCOC1=C(OC(C)=O)C(I)=CC(C=O)=C1 SBB020066 [0,2,0,0,0,0|0,0,0]=2 120 B16R1.4050 CCOC1=C(OC(C)C)C(Br)=CC(C=O)=C1 SBB019959 [0,2,0,0,0,0|1,0,1]=4 121 B16R1.4050 CCOC1=C(OC(C)C)C(Cl)=CC(C=O)=C1 SBB019934 [0,2,0,0,0,0|1,0,1]=4 122 B16R1.4050 CCOC1=C(OC(C)C)C(I)=CC(C=O)=C1 SBB020069 [0,2,0,0,0,0|1,0,1]=4 123 B16R1.14642 COC1=CC(C=O)=CC(OC)=C1OC(C)=O SBB040215 [0,2,0,0,0,0|0,0,0]=2 124 B16R1.49282 CCOC1=C(OC(C)=O)C=C(Br)C(C=O)=C1 SBB020000 [0,2,0,0,0,0|0,0,0]=2 125 B16R1.49282 CCOC1=C(OC(C)C)C=C(Br)C(C=O)=C1 SBB020001 [0,2,0,0,0,0|1,0,1]=4 126 B16R1.49282 CCOC1=C(OC(C)C)C=C(Cl)C(C=O)=C1 SBB023453 [0,2,0,0,0,0|1,0,1]=4 127 B16R1.12738 CCOC1=C(OC(=O)CC)C=CC(C=O)=C1 SBB020862 [0,2,0,0,0,0|0,0,0]=2 128 B16R1.12738 CCOC1=CC(C=O)=CC=C1OC(=O)CCl SBB300276 [0,2,0,0,0,0|0,0,0]=2 129 B14R2.3303 CC1(C)CC2=CC(C=O)=CC=C2O1 SBB301803 [1,0,0,1,0,0|1,0,1]=4 130 B14R2.1101 COC1=CC(C=O)=CC2=C1OCO2 SBB018552 [1,0,0,1,0,0|0,0,2]=4 131 B14R2.1801 CN1CCOC2=CC(C=O)=CC=C21 SBB052330 [0,0,0,1,1,0|2,0,0]=4 132 B14R2.1801 COC1=CC=C2C(=O)CCOC2=C1 SBB069435 [0,0,0,1,1,0|2,0,0]=4 133 B16R2.502 CC(=O)N1CCC2=CC(C(=O)O)=CC=C21 SBB018442 [0,1,0,1,0,0|2,0,0]=4 134 B12R1.57 COC1=C(C(=O)O)C=CC(Cl)=C1 SBB057716 [1,0,0,0,1,0|2,0,0]=4 135 B12R1.57 COC1=CC(F)=CC=C1C(=O)O SBB064420 [1,0,0,0,1,0|2,0,0]=4 136 B12R1.57 COC1=CC(F)=CC=C1C(C)=O SBB063562 [1,0,0,0,1,0|1,0,0]=3 137 B12R1.57 COC1=CC(N)=CC=C1C(=O)O SBB063336 [1,0,0,0,1,0|2,0,0]=4 138 B12R1.452 COC1=CC=C(C(C)=O)C(O)=C1 SBB066134 [1,0,0,0,1,0|2,0,0]=4 139 B12R1.452 O=CC1=CC(O)=C([N+](=O)[O-])C=C1 SBB063279 [1,0,0,0,1,0|2,0,0]=4 140 B14R1.1600 COC1=C(OCC(N)=O)C=CC(N)=C1 SBB018494 [1,0,0,0,0,1|2,0,0]=4 141 B14R1.1600 COC1=CC(C)=CC=C1OCC(=O)O SBB085296 [1,0,0,0,0,1|1,0,1]=4 142 B14R1.3723 COC1=C(OC(C)=O)C=C(C#N)C=C1 SBB014398 [0,0,0,0,1,1|1,0,1]=4 143 B14R1.3723 COC1=CC=C(C=O)C=C1OC(C)C SBB009339 [0,0,0,0,1,1|1,0,1]=4 144 B16R1.1772 COC1=CC(C=O)=CC=C1OCCC(C)C SBB079910 [0,0,0,0,0,2|1,0,1]=4