0 B12R1.1 C1=CC(=CC=C1OCCCCl)F C124480 [0,0,1,0,0,0|3,0,0]=4 1 B12R1.1 C1=CC(=CC=C1OCCCN)F F179792 [0,0,1,0,0,0|3,0,0]=4 2 B12R1.1 CCCCCC1=CC=C(C=C1)Br P115517 [0,0,1,0,0,0|3,0,0]=4 3 B12R1.1 CCCCCC1=CC=C(C=C1)N A151044 [0,0,1,0,0,0|2,0,0]=3 4 B12R1.1 CCCCCC1=CC=C(C=C1)O A131897 [0,0,1,0,0,0|3,0,0]=4 5 B12R1.1 CCCCOC1=CC=C(C=C1)N B151816 [0,0,1,0,0,0|1,0,0]=2 6 B12R1.1 CCCCOC1=CC=C(C=C1)O B152847 [0,0,1,0,0,0|2,0,0]=3 7 B12R1.49 C1=CC(=CC=C1CC(CO)N)O T117152 [0,0,1,0,0,0|3,0,0]=4 8 B12R2.294 C1CC1OC2=CC=C(C=C2)Br B588954 [0,0,0,0,1,0|1,0,0]=2 9 B12R2.2302 C1C(CO1)C2=CC=C(C=C2)Br B587155 [0,0,0,0,1,0|1,0,0]=2 10 B11R1.1 C#CCOC1=CC=C(C=C1)N P160192 [1,0,1,0,0,0|0,0,2]=4 11 B11R1.1 C1=CC(=CC=C1CCCO)Br B135402 [1,0,1,0,0,0|2,0,0]=4 12 B11R1.1 C1=CC(=CC=C1CCCO)Cl C405534 [1,0,1,0,0,0|2,0,0]=4 13 B11R1.1 C1=CC(=CC=C1CCCO)O W132591 [1,0,1,0,0,0|2,0,0]=4 14 B11R1.1 C1=CC(=CC=C1OCCBr)Cl B152802 [1,0,1,0,0,0|2,0,0]=4 15 B11R1.1 C1=CC(=CC=C1OCCBr)F F136245 [1,0,1,0,0,0|2,0,0]=4 16 B11R1.1 C1=CC(=CC=C1OCCO)Br B140261 [1,0,1,0,0,0|1,0,0]=3 17 B11R1.1 C1=CC(=CC=C1OCCO)Cl C140392 [1,0,1,0,0,0|1,0,0]=3 18 B11R1.1 CC1=CC=C(C=C1)OCCO E140276 [1,0,1,0,0,0|1,0,0]=3 19 B11R1.1 CCCCC1=CC=C(C=C1)Br B115516 [1,0,1,0,0,0|2,0,0]=4 20 B11R1.1 CCCCC1=CC=C(C=C1)Cl B167540 [1,0,1,0,0,0|2,0,0]=4 21 B11R1.1 CCCCC1=CC=C(C=C1)I B124312 [1,0,1,0,0,0|2,0,0]=4 22 B11R1.1 CCCCC1=CC=C(C=C1)N B100731 [1,0,1,0,0,0|1,0,0]=3 23 B11R1.1 CCCCC1=CC=C(C=C1)O B152848 [1,0,1,0,0,0|2,0,0]=4 24 B11R1.1 CCCOC1=CC=C(C=C1)Br B138795 [1,0,1,0,0,0|1,0,0]=3 25 B11R1.1 CCCOC1=CC=C(C=C1)N P420032 [1,0,1,0,0,0|0,0,0]=2 26 B11R1.1 CCCOC1=CC=C(C=C1)O P132532 [1,0,1,0,0,0|1,0,0]=3 27 B11R1.1 COCCC1=CC=C(C=C1)O M136398 [1,0,1,0,0,0|1,0,0]=3 28 B11R1.28 C1=CC=C(C=C1)OCCCBr P160566 [1,0,1,0,0,0|2,0,0]=4 29 B11R1.28 C1=CC=C(C=C1)OCCCN P353595 [1,0,1,0,0,0|2,0,0]=4 30 B11R1.28 C1=CC=C(C=C1)OCCCO P160296 [1,0,1,0,0,0|2,0,0]=4 31 B11R1.28 CCCCCC1=CC=CC=C1 A151374 [1,0,1,0,0,0|2,0,0]=4 32 B11R1.28 CCCCNC1=CC=CC=C1 B140175 [1,0,1,0,0,0|2,0,0]=4 33 B11R1.28 CCCCNC1=CC=CC=C1 N590954 [1,0,1,0,0,0|2,0,0]=4 34 B11R1.28 CCCCOC1=CC=CC=C1 B153006 [1,0,1,0,0,0|1,0,0]=3 35 B11R1.28 CNCCOC1=CC=CC=C1 N169984 [1,0,1,0,0,0|1,0,0]=3 36 B11R1.20 C1=CC(=CC=C1N)OC(F)F D123687 [1,0,1,0,0,0|2,0,0]=4 37 B11R1.20 CC(C)CC1=CC=C(C=C1)Br B163036 [1,0,1,0,0,0|2,0,0]=4 38 B11R1.20 CC(C)OC1=CC=C(C=C1)N I157723 [1,0,1,0,0,0|0,0,0]=2 39 B11R1.20 CC(C)OC1=NC=C(C=C1)Br B187286 [1,0,1,0,0,0|2,0,0]=4 40 B11R1.20 CN(C)CC1=CC=C(C=C1)N A185751 [1,0,1,0,0,0|2,0,0]=4 41 B11R1.40 C1=CC=C(C=C1)CC(CO)N P100530 [1,0,1,0,0,0|2,0,0]=4 42 B11R1.40 C1=CC=C(C=C1)CC(CO)N P109244 [1,0,1,0,0,0|2,0,0]=4 43 B11R1.40 C1=CC=C(C=C1)CC(CO)N S160981 [1,0,1,0,0,0|2,0,0]=4 44 B11R1.40 CC(=CC1=CC=CC=C1)CO M158501 [1,0,1,0,0,0|1,0,1]=4 45 B11R1.40 CC(CO)OC1=CC=CC=C1 P160292 [1,0,1,0,0,0|0,0,0]=2 46 B13R1.9 CCCCCCC1=CC=C(C=C1)N H157102 [0,1,1,0,0,0|2,0,0]=4 47 B13R1.9 CCCCCOC1=CC=C(C=C1)O A135781 [0,1,1,0,0,0|2,0,0]=4 48 B13R1.371 CCCCOC1=CC=C(C=C1)C#N B184944 [0,1,1,0,0,0|1,0,1]=4 49 B13R1.371 CCCCOC1=CC=C(C=C1)C=O B129998 [0,1,1,0,0,0|2,0,0]=4 50 B13R1.371 CCCCOC1=CC=C(C=C1)CO B137646 [0,1,1,0,0,0|2,0,0]=4 51 B13R1.513 CC(C)CCOC1=CC=C(C=C1)N C338229 [0,1,1,0,0,0|1,0,0]=3 52 B13R1.133 CC(C(=O)O)OC1=CC=C(C=C1)O H102466 [0,1,1,0,0,0|1,0,1]=4 53 B13R2.520 CC1=CC=C(C=C1)C(=O)C2CC2 C349155 [0,1,0,0,1,0|2,0,0]=4 54 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N A102249 [0,1,0,0,0,1|1,0,1]=4 55 B13R2.527 C1C(O1)COC2=CC=C(C=C2)Br B168704 [0,0,1,1,0,0|1,0,0]=3 56 B11R1.22 C1=CC(=CC=C1C(CO)N)Br A587986 [0,0,1,0,1,0|2,0,0]=4 57 B11R1.22 CCC(C)C1=CC=C(C=C1)Br B136925 [0,0,1,0,1,0|2,0,0]=4 58 B11R1.22 CCC(C)C1=CC=C(C=C1)N S161429 [0,0,1,0,1,0|1,0,0]=3 59 B11R1.22 CCC(C)C1=CC=C(C=C1)O S161081 [0,0,1,0,1,0|2,0,0]=4 60 B11R2.238 C1C(N1)CC2=CC=CC=C2 S304496 [1,0,0,0,1,0|2,0,0]=4 61 B11R2.238 C1C(O1)CC2=CC=CC=C2 E472459 [1,0,0,0,1,0|1,0,0]=3 62 B11R2.238 C1CC1SC2=CC=CC=C2 C101828 [1,0,0,0,1,0|0,1,0]=3 63 B11R2.34 C1C(O1)C2=CC=C(C=C2)F I131966 [0,0,0,0,2,0|1,0,0]=3 64 B11R2.34 C1CC1C2=CC=C(C=C2)Br B189729 [0,0,0,0,2,0|1,0,0]=3 65 B11R2.34 C1CC1C2=CN=C(C=C2)Br B189780 [0,0,0,0,2,0|2,0,0]=4 66 B11R2.34 C1CC1C2=CN=C(C=C2)Cl C586231 [0,0,0,0,2,0|2,0,0]=4 67 B13R2.64 C1COCN1CC2=CC=CC=C2 B151820 [1,0,0,0,0,1|2,0,0]=4 68 B13R2.2383 C1C(CN1)OCC2=CC=CC=C2 B195675 [1,0,0,0,0,1|1,0,0]=3 69 B15R2.29 C1CCOC(C1)OC2=CC=C(C=C2)Br B184051 [0,0,0,0,0,2|2,0,0]=4 70 B15R2.29 C1CCOC(C1)OC2=CC=C(C=C2)O D129494 [0,0,0,0,0,2|2,0,0]=4 71 B15R2.29 C1COCCN1CC2=CC=C(C=C2)N M193652 [0,0,0,0,0,2|2,0,0]=4