0 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)I CDS023358 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.17 CC1=CC=C(C=C1)C(=O)CCCCl S344338 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)C S409480 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl S344656 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F S349917 [0,0,0,0,0,0|2,0,0]=2 5 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)Cl R462950 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)F VBP00078 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Br L481971 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Cl L481963 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)F L481998 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.17 N#CCNC(=O)C1=CC=C(C=C1)Cl R462977 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)Br PH011618 [0,0,0,0,0,0|3,0,0]=3 12 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)Cl S535583 [0,0,0,0,0,0|3,0,0]=3 13 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)O R751758 [0,0,0,0,0,0|2,0,0]=2 14 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CDS000361 [0,0,0,0,0,0|1,0,0]=1 15 B13R1.17 OCCNC(=S)C1=CC=C(C=C1)Br T149160 [0,0,0,0,0,0|3,1,0]=4 16 B12R1.1 CCC/C=C/C1=CC=C(C=C1)Cl PH008528 [1,0,0,0,0,0|2,0,0]=3 17 B12R1.1 CCCCOC1=CC=C(C=C1)Br PH014759 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.1 CCCCSC1=CC=C(C=C1)C S799149 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.1 CCCNCC1=CC=C(C=C1)Cl PH010169 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.1 OCC/N=C/C1=CC=C(C=C1)Cl S753289 [1,0,0,0,0,0|3,0,0]=4 21 B12R1.1 OCC/N=C/C1=CC=C(C=C1)O S691011 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.16 CC1=CC=C(C=C1)C(=O)CCCl S681105 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Br S432814 [1,0,0,0,0,0|1,0,0]=2 24 B12R1.16 CCCC(=O)C1=CC=C(C=C1)C S352705 [1,0,0,0,0,0|1,0,0]=2 25 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl S446874 [1,0,0,0,0,0|1,0,0]=2 26 B12R1.16 CCCC(=O)C1=CC=C(C=C1)F S415456 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.16 CCCC(=O)C1=CC=C(C=C1)N R762342 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.16 CCCC(=O)C1=CC=C(C=C1)O S439789 [1,0,0,0,0,0|0,0,0]=1 29 B12R1.16 CCCC(O)C1=CC=C(C=C1)Br S431877 [1,0,0,0,0,0|1,0,2]=4 30 B12R1.16 CCCC(O)C1=CC=C(C=C1)C S446955 [1,0,0,0,0,0|1,0,2]=4 31 B12R1.16 CCCC(O)C1=CC=C(C=C1)Cl S418080 [1,0,0,0,0,0|1,0,2]=4 32 B12R1.16 CCCC(O)C1=CC=C(C=C1)F S447226 [1,0,0,0,0,0|1,0,2]=4 33 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I EME00290 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N CBR02271 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.16 CCNC(=O)C1=CN=C(C=C1)Cl EME00413 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.16 CCOC(=O)C1=CC=C(C=C1)Cl S705764 [1,0,0,0,0,0|1,0,0]=2 37 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N R284645 [1,0,0,0,0,0|1,0,0]=2 38 B12R1.16 CCOC(=O)C1=CC=C(C=N1)N CDS021056 [1,0,0,0,0,0|2,0,0]=3 39 B12R1.16 CCOC(=O)C1=CC=[N+](C=C1)C R179094 [1,0,0,0,0,0|2,0,0]=3 40 B12R1.16 CNCC(O)C1=CC=C(C=C1)O S433233 [1,0,0,0,0,0|1,0,2]=4 41 B12R1.16 O=C(CCBr)C1=CC=C(C=C1)Br OTV000778 [1,0,0,0,0,0|2,0,0]=3 42 B12R1.16 O=S(CCO)C1=CC=C(C=C1)Cl T252719 [1,0,0,0,0,0|3,0,0]=4 43 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [1,0,0,0,0,0|1,0,2]=4 44 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [1,0,0,0,0,0|0,0,2]=3 45 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [1,0,0,0,0,0|2,0,1]=4 46 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,0,0,0,0,0|1,0,2]=4 47 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [1,0,0,0,0,0|1,0,0]=2 48 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [1,0,0,0,0,0|2,0,0]=3 49 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [1,0,0,0,0,0|2,0,1]=4 50 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [1,0,0,0,0,0|2,0,1]=4 51 B12R1.30 NCCNC(=O)C1=CC=CN=C1 CDS014760 [1,0,0,0,0,0|3,0,0]=4 52 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [1,0,0,0,0,0|1,1,0]=3 53 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [1,0,0,0,0,0|1,1,0]=3 54 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [1,0,0,0,0,0|2,0,0]=3 55 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [1,0,0,0,0,0|2,0,0]=3 56 B12R1.30 O=C(NCCO)C1=CN=CC=C1 EME00383 [1,0,0,0,0,0|3,0,0]=4 57 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [1,0,0,0,0,0|1,0,0]=2 58 B12R1.30 OCCNC(=S)C1=CC=CC=C1 T149144 [1,0,0,0,0,0|2,1,0]=4 59 B14R1.10 CCC(=O)NC(=O)C1=CC=C(C=C1)Cl PH009104 [0,1,0,0,0,0|2,0,1]=4 60 B14R1.10 CCC(C)NC(=O)C1=CC=C(C=C1)Br R269344 [0,1,0,0,0,0|2,0,0]=3 61 B14R1.10 CCC(C)NC(=O)C1=CC=C(C=C1)Cl R269336 [0,1,0,0,0,0|2,0,0]=3 62 B14R1.10 COC(=O)CC(=O)C1=CC=C(C=C1)O CDS000077 [0,1,0,0,0,0|2,0,1]=4 63 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)Cl S759295 [0,1,0,0,0,0|2,0,0]=3 64 B14R1.19 COCCNC(=O)C1=CN=C(C=C1)Cl EME00369 [0,1,0,0,0,0|3,0,0]=4 65 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl CDS004599 [0,1,0,0,0,0|3,0,0]=4 66 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)F CDS006139 [0,1,0,0,0,0|3,0,0]=4 67 B14R1.125 CCCCS(=O)(=O)C1=CC=C(C=C1)C S820121 [0,1,0,0,0,0|3,0,0]=4 68 B14R1.125 CCCOS(=O)(=O)C1=CC=C(C=C1)C PH000103 [0,1,0,0,0,0|2,0,0]=3 69 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N S520608 [0,1,0,0,0,0|1,0,0]=2 70 B14R1.678 CC1=CC=C(C=C1)C(=O)CCN(C)C S935220 [0,1,0,0,0,0|3,0,0]=4 71 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(C)C R591424 [0,1,0,0,0,0|2,0,0]=3 72 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O T136271 [0,1,0,0,0,0|2,0,1]=4 73 B14R1.926 CCCCC(=O)C1=CC=C(C=C1)OC S369608 [0,1,0,0,0,0|1,0,0]=2 74 B14R1.926 COC1=CC=C(C=C1)C(=O)CCC#N S935204 [0,1,0,0,0,0|2,0,1]=4 75 B14R1.926 COC1=CC=C(C=C1)C(=O)NCCO R644366 [0,1,0,0,0,0|2,0,0]=3 76 B14R1.941 CCCNC(=O)C1=CC=C(C(=C1)Cl)Cl PH009061 [0,1,0,0,0,0|2,0,0]=3 77 B14R1.941 CCCOC(=O)C1=CC=C(C(=C1)Cl)O PH010226 [0,1,0,0,0,0|0,0,0]=1 78 B14R1.2523 O=C(NCCBr)C1=CC=C(C=C1Cl)Cl PH015617 [0,1,0,0,0,0|3,0,0]=4 79 B14R2.68 CC1=CC=C(C=C1)C2=CCCCC2 S356166 [0,0,0,1,0,0|3,0,0]=4 80 B14R2.68 OC1=CC=C(C=C1)C2=NCCCN2 L480819 [0,0,0,1,0,0|2,0,0]=3 81 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)Br EME00304 [0,0,0,1,0,0|2,0,0]=3 82 B14R2.8719 O=C1CCCOC2=CC(=CC=C12)Br T325880 [0,0,0,1,0,0|3,0,0]=4 83 B14R1.33 C#CCOC(=O)NC1=CC=C(C=C1)Cl PH009320 [0,0,0,0,0,1|1,0,2]=4 84 B14R1.33 C=CCOC(=O)NC1=CC=C(C=C1)Br S666610 [0,0,0,0,0,1|1,0,2]=4 85 B14R1.33 C=CCOC(=O)NC1=CC=C(C=C1)C S666602 [0,0,0,0,0,1|1,0,2]=4 86 B14R1.33 C=CCOC(=O)NC1=CC=C(C=C1)Cl S586293 [0,0,0,0,0,1|1,0,2]=4 87 B14R1.33 C=CCOC(=O)NC1=CC=C(C=C1)F S601829 [0,0,0,0,0,1|1,0,2]=4 88 B14R1.33 CC1=CC=C(C=C1)NC(=O)NCCCl S752983 [0,0,0,0,0,1|3,0,0]=4 89 B14R1.33 CC1=CC=C(C=C1)NC(=O)OCCCl S612766 [0,0,0,0,0,1|2,0,0]=3 90 B14R1.33 CC1=CC=C(C=C1)OC(=O)NCCO R465992 [0,0,0,0,0,1|3,0,0]=4 91 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Br S665045 [0,0,0,0,0,1|2,0,0]=3 92 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)C S644374 [0,0,0,0,0,1|2,0,0]=3 93 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Cl S279854 [0,0,0,0,0,1|2,0,0]=3 94 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)Cl S591343 [0,0,0,0,0,1|2,0,0]=3 95 B14R1.33 CCCNC(=O)SC1=CC=C(C=C1)Cl S844063 [0,0,0,0,0,1|2,0,0]=3 96 B14R1.33 CCCNC(=S)NC1=CC=C(C=C1)O S691496 [0,0,0,0,0,1|1,1,0]=3 97 B14R1.33 CCCOC(=O)NC1=CC=C(C=C1)C S643874 [0,0,0,0,0,1|1,0,0]=2 98 B14R1.33 CCCOC(=O)NC1=CC=C(C=C1)Cl S586285 [0,0,0,0,0,1|1,0,0]=2 99 B14R1.33 CCCSC(=O)NC1=CC=C(C=C1)Br S631655 [0,0,0,0,0,1|1,1,0]=3 100 B14R1.33 CCCSC(=O)NC1=CC=C(C=C1)C S652326 [0,0,0,0,0,1|1,1,0]=3 101 B14R1.33 CCONC(=O)NC1=CC=C(C=C1)Br R452750 [0,0,0,0,0,1|3,0,0]=4 102 B14R1.33 O=C(NC1=CC=C(C=C1)Br)OCCCl S628158 [0,0,0,0,0,1|2,0,0]=3 103 B14R1.33 O=C(NC1=CC=C(C=C1)Cl)OCCCl S612723 [0,0,0,0,0,1|2,0,0]=3 104 B14R1.33 O=C(NC1=CC=C(C=C1)F)OCCCl S714291 [0,0,0,0,0,1|2,0,0]=3 105 B14R1.33 O=C(NCCO)NC1=CC=C(C=C1)Cl R468649 [0,0,0,0,0,1|3,0,0]=4 106 B11R1.1 BrCCOC1=CC=C(C=C1)Br S463000 [2,0,0,0,0,0|2,0,0]=4 107 B11R1.1 CC1=CC=C(C=C1)OCCBr PH000131 [2,0,0,0,0,0|2,0,0]=4 108 B11R1.1 CC1=CC=C(C=C1)OCCN OTV000145 [2,0,0,0,0,0|2,0,0]=4 109 B11R1.1 CCCCC1=CC=C(C=C1)Cl TMT00677 [2,0,0,0,0,0|1,0,1]=4 110 B11R1.1 CCCCC1=CC=C(C=C1)O CDS001507 [2,0,0,0,0,0|0,0,1]=3 111 B11R1.1 CCCSC1=CC=C(C=C1)C S832839 [2,0,0,0,0,0|1,1,0]=4 112 B11R1.1 CCCSC1=CC=C(C=C1)N CBR01435 [2,0,0,0,0,0|1,1,0]=4 113 B11R1.1 NCCOC1=CC=C(C=C1)F CBR00598 [2,0,0,0,0,0|2,0,0]=4 114 B11R1.1 NCCOC1=CC=C(C=C1)O PH008478 [2,0,0,0,0,0|1,0,0]=3 115 B11R1.1 OCCOC1=CC=C(C=C1)Cl S359610 [2,0,0,0,0,0|2,0,0]=4 116 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [2,0,0,0,0,0|1,0,0]=3 117 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [2,0,0,0,0,0|1,0,0]=3 118 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [2,0,0,0,0,0|2,0,0]=4 119 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [2,0,0,0,0,0|2,0,0]=4 120 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [2,0,0,0,0,0|0,0,2]=4 121 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [2,0,0,0,0,0|1,0,1]=4 122 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [2,0,0,0,0,0|1,0,1]=4 123 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [2,0,0,0,0,0|1,0,0]=3 124 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [2,0,0,0,0,0|1,0,0]=3 125 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [2,0,0,0,0,0|2,0,0]=4 126 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [2,0,0,0,0,0|1,0,0]=3 127 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [2,0,0,0,0,0|2,0,0]=4 128 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [2,0,0,0,0,0|1,1,0]=4 129 B11R1.22 CCC(=O)C1=CC=C(C=C1)N PH006875 [2,0,0,0,0,0|1,0,0]=3 130 B11R1.22 CCC(N)C1=CC=C(C=C1)O CBR00896 [2,0,0,0,0,0|1,0,1]=4 131 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br CDS003953 [2,0,0,0,0,0|2,0,0]=4 132 B11R1.22 CNC(=O)C1=CC=C(C=C1)C R580023 [2,0,0,0,0,0|2,0,0]=4 133 B11R1.22 CNC(=O)C1=CC=C(C=C1)F PH011769 [2,0,0,0,0,0|2,0,0]=4 134 B11R1.22 CNC(=O)C1=CC=C(C=C1)N CDS005578 [2,0,0,0,0,0|2,0,0]=4 135 B11R1.22 COC(=O)C1=CC=C(C=N1)Br CDS003613 [2,0,0,0,0,0|2,0,0]=4 136 B11R1.22 COC(=O)C1=CC=C(C=N1)O CDS005288 [2,0,0,0,0,0|1,0,0]=3 137 B11R1.22 COC(=O)C1=CC=C(N=C1)Br CDS004061 [2,0,0,0,0,0|2,0,0]=4 138 B11R1.22 COC(=O)C1=CC=[N+](C=C1)[O-] S311014 [2,0,0,0,0,0|1,0,1]=4 139 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl S138916 [2,0,0,0,0,0|2,0,0]=4 140 B11R1.22 NCC(=O)C1=CC=C(C=C1)F CDS003453 [2,0,0,0,0,0|2,0,0]=4 141 B11R1.22 O=C(CBr)C1=CC=C(C=C1)O CDS013566 [2,0,0,0,0,0|1,0,0]=3 142 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br S852406 [2,0,0,0,0,0|2,0,0]=4 143 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O S313750 [2,0,0,0,0,0|1,0,0]=3 144 B13R1.9 CCCCCCC1=CC=C(C=C1)O CDS000247 [1,1,0,0,0,0|1,0,1]=4 145 B13R1.9 CCCCCOC1=CC=C(C=C1)O PH011487 [1,1,0,0,0,0|1,0,1]=4 146 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [1,1,0,0,0,0|1,0,1]=4 147 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)N CBR01240 [1,1,0,0,0,0|2,0,0]=4 148 B13R1.132 CC(O)CC(=O)C1=CC=C(C=C1)O S563862 [1,1,0,0,0,0|0,0,0]=2 149 B13R1.452 C/C=C/C(=O)C1=CC=C(C=C1)OC PH007387 [1,1,0,0,0,0|0,0,2]=4 150 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC S535753 [1,1,0,0,0,0|0,0,0]=2 151 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CBr CDS001471 [1,1,0,0,0,0|1,0,0]=3 152 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN CDS011342 [1,1,0,0,0,0|1,0,0]=3 153 B13R1.452 CCOC(=O)C1=CN=C(C=C1)NN PH018571 [1,1,0,0,0,0|2,0,0]=4 154 B13R1.452 CCOC(=O)C1=NC=C(C=C1)C#N KOB0123 [1,1,0,0,0,0|2,0,0]=4 155 B13R1.452 COC1=CC=C(C=C1)C(=O)CCCl T276391 [1,1,0,0,0,0|1,0,0]=3 156 B13R1.466 CCCC(=O)C1=CC=C(C(=C1)C)C TMT00514 [1,1,0,0,0,0|1,0,0]=3 157 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)C)N T303518 [1,1,0,0,0,0|1,0,0]=3 158 B13R1.466 CCOC(=O)C1=CC=C(C(=C1)C)C S434248 [1,1,0,0,0,0|1,0,0]=3 159 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)C)C OTV000738 [1,1,0,0,0,0|1,0,0]=3 160 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)O PH007973 [1,1,0,0,0,0|1,0,0]=3 161 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)C)C PH011191 [1,1,0,0,0,0|1,0,0]=3 162 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)Cl)N PH000524 [1,1,0,0,0,0|1,0,0]=3 163 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)N)Cl PH000496 [1,1,0,0,0,0|1,0,0]=3 164 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)O)O S947784 [1,1,0,0,0,0|0,0,0]=2 165 B13R1.1511 CCOC(=O)C1=C(N=C(C=C1)C)Cl PH003495 [1,1,0,0,0,0|2,0,0]=4 166 B13R1.1511 CCOC(=O)C1=C(N=C(N=C1)O)N S343374 [1,1,0,0,0,0|2,0,0]=4 167 B13R1.1511 CCOC(=O)C1=C(NC(=O)C=C1)C PHB00274 [1,1,0,0,0,0|1,0,1]=4 168 B13R1.1511 CCOC(=O)C1=CN=C(C=C1Cl)Cl ANV00099 [1,1,0,0,0,0|2,0,0]=4 169 B13R1.1511 COCC(=O)C1=CC=C(C=C1O)O S863483 [1,1,0,0,0,0|1,0,0]=3 170 B13R1.11 CC(C#N)OC(=O)C1=CC=CC=C1 EME00155 [1,1,0,0,0,0|1,0,1]=4 171 B13R1.11 CC(CCl)NC(=O)C1=CC=CC=C1 R738484 [1,1,0,0,0,0|2,0,0]=4 172 B13R1.11 CC(CO)NC(=O)C1=CC=CC=C1 R788562 [1,1,0,0,0,0|2,0,0]=4 173 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 R269182 [1,1,0,0,0,0|1,0,0]=3 174 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O EME00429 [1,1,0,0,0,0|1,0,0]=3 175 B13R1.18 CCONC(=O)C1=CC(=CC=C1)I R452734 [1,1,0,0,0,0|2,0,0]=4 176 B13R1.18 O=C(NCCO)C1=CC(=CC=C1)O EME00382 [1,1,0,0,0,0|2,0,0]=4 177 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 T273716 [1,1,0,0,0,0|0,0,1]=3 178 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [1,1,0,0,0,0|1,0,0]=3 179 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [1,1,0,0,0,0|1,0,0]=3 180 B13R1.24 C[Se]CCNC(=O)C1=CC=CC=C1 S893110 [1,1,0,0,0,0|1,0,0]=3 181 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [1,1,0,0,0,0|1,0,1]=4 182 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 S561045 [1,1,0,0,0,0|1,0,0]=3 183 B13R1.45 CC(C)CNC(=O)C1=CC=CC=C1 R531251 [1,1,0,0,0,0|1,0,0]=3 184 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 VBP00025 [1,1,0,0,0,0|2,0,0]=4 185 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 R156043 [1,1,0,0,0,0|2,0,0]=4 186 B13R1.45 CN(C)CNC(=O)C1=CC=CC=C1 PH008934 [1,1,0,0,0,0|2,0,0]=4 187 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 PH003469 [1,1,0,0,0,0|1,0,1]=4 188 B13R1.122 CCCCS(=O)(=O)C1=CC=CC=C1 S799262 [1,1,0,0,0,0|2,0,0]=4 189 B13R1.122 O=S(=O)(OCCBr)C1=CC=CC=C1 S832782 [1,1,0,0,0,0|2,0,0]=4 190 B13R1.674 CCC/N=C(/C)\C1=CC=CC=C1O S720593 [1,1,0,0,0,0|2,0,0]=4 191 B13R1.674 CCCNC(=O)C1=C(C=CC=C1)Cl R331872 [1,1,0,0,0,0|1,0,0]=3 192 B13R1.674 CCCNC(=O)C1=CC=CC=C1O S580775 [1,1,0,0,0,0|1,0,0]=3 193 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl T315435 [1,1,0,0,0,0|2,0,0]=4 194 B13R1.674 CCCNC(=S)C1=CC=CC=C1N PH007405 [1,1,0,0,0,0|1,1,0]=4 195 B15R1.48 CCOC(=O)C(=O)NC1=CC=C(C=C1)O S931381 [0,1,0,0,0,1|2,0,0]=4 196 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)Br S664979 [0,1,0,0,0,1|2,0,0]=4 197 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)Cl S279706 [0,1,0,0,0,1|2,0,0]=4 198 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)Cl S645184 [0,1,0,0,0,1|2,0,0]=4 199 B15R1.111 CC1=CC=C(C=C1)NC(=O)NCC(C)C S653667 [0,1,0,0,0,1|2,0,0]=4 200 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Br S665681 [0,1,0,0,0,1|2,0,0]=4 201 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)C S613096 [0,1,0,0,0,1|2,0,0]=4 202 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Cl S279692 [0,1,0,0,0,1|2,0,0]=4 203 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)Cl S591416 [0,1,0,0,0,1|2,0,0]=4 204 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)F S601691 [0,1,0,0,0,1|2,0,0]=4 205 B15R1.128 CCCCNC(=O)NC1=CC=C(C=C1)O S562416 [0,1,0,0,0,1|1,0,0]=3 206 B15R1.128 CCCCNC(=O)SC1=CC=C(C=C1)O S727954 [0,1,0,0,0,1|1,0,0]=3 207 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)Br S594075 [0,1,0,0,0,1|1,0,0]=3 208 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)C S643815 [0,1,0,0,0,1|1,0,0]=3 209 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)Cl S586404 [0,1,0,0,0,1|1,0,0]=3 210 B15R1.128 CCCCSC(=O)NC1=CC=C(C=C1)Br S595802 [0,1,0,0,0,1|1,1,0]=4 211 B15R1.128 CCCONC(=O)NC1=CC=C(C=C1)Br R452742 [0,1,0,0,0,1|1,0,0]=3 212 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)Br S644757 [0,1,0,0,0,1|2,0,0]=4 213 B15R1.128 COCCOC(=O)NC1=CC=C(C=C1)Br S667110 [0,1,0,0,0,1|1,0,0]=3 214 B15R1.128 COCCOC(=O)NC1=CC=C(C=C1)Cl S644145 [0,1,0,0,0,1|1,0,0]=3 215 B15R1.128 O=C(NCCCO)NC1=CC=C(C=C1)Cl L131598 [0,1,0,0,0,1|2,0,0]=4 216 B15R1.981 CC(CCl)OC(=O)NC1=CC=C(C=C1)Cl S652717 [0,1,0,0,0,1|2,0,0]=4 217 B15R1.981 CCC(C)NC(=O)NC1=CC=C(C=C1)Cl S279714 [0,1,0,0,0,1|2,0,0]=4 218 B15R1.3908 CC1=C(C=C(C=C1)NC(=O)OCCCl)C S715182 [0,1,0,0,0,1|2,0,0]=4 219 B15R1.3908 CC1=C(C=C(C=C1)NC(=O)OCCCl)Cl S634875 [0,1,0,0,0,1|2,0,0]=4 220 B15R1.3908 CCCNC(=O)NC1=CC(=C(C=C1)C)C S649538 [0,1,0,0,0,1|2,0,0]=4 221 B15R1.3908 CCCNC(=O)NC1=CC=C(C(=C1)Cl)C S646806 [0,1,0,0,0,1|2,0,0]=4 222 B15R1.3908 CCCNC(=O)NC1=CC=C(C(=C1)Cl)Cl S613541 [0,1,0,0,0,1|2,0,0]=4 223 B15R1.3908 CCCNC(=O)NC1=CC=C(C(=C1)F)C S721654 [0,1,0,0,0,1|2,0,0]=4 224 B15R1.3908 CCCOC(=O)NC1=CC(=C(C=C1)C)C S667129 [0,1,0,0,0,1|1,0,0]=3 225 B15R1.3908 CCCOC(=O)NC1=CC(=C(C=C1)C)Cl S628174 [0,1,0,0,0,1|1,0,0]=3 226 B15R1.3908 CCCOC(=O)NC1=CC(=C(C=C1)Cl)Cl S606421 [0,1,0,0,0,1|1,0,0]=3 227 B15R1.3908 O=C(NC1=CC(=C(C=C1)Cl)Cl)OCCBr S711659 [0,1,0,0,0,1|2,0,0]=4 228 B15R1.3908 O=C(NC1=CC(=C(C=C1)Cl)Cl)OCCCl S606510 [0,1,0,0,0,1|2,0,0]=4 229 B15R1.5927 CC1=C(C=CC(=C1)Cl)NC(=O)OCCCl S601853 [0,1,0,0,0,1|2,0,0]=4 230 B15R1.5927 CC1=CC(=C(C=C1)NC(=O)OCCCl)C S606588 [0,1,0,0,0,1|2,0,0]=4 231 B15R1.5927 CCCNC(=O)NC1=C(C=C(C=C1)C)C S610275 [0,1,0,0,0,1|2,0,0]=4 232 B15R1.5927 CCCNC(=O)NC1=CC=C(C=C1C)Cl S646709 [0,1,0,0,0,1|2,0,0]=4 233 B15R1.5927 CCCNC(=O)NC1=CC=C(C=C1Cl)Cl S623695 [0,1,0,0,0,1|2,0,0]=4 234 B15R1.5927 CCCOC(=O)NC1=C(C=C(C=C1)C)C S632163 [0,1,0,0,0,1|1,0,0]=3 235 B15R1.5927 CCCOC(=O)NC1=C(C=C(C=C1)Cl)C S625299 [0,1,0,0,0,1|1,0,0]=3 236 B15R1.5927 CCCOC(=O)NC1=C(C=C(C=C1)Cl)Cl S624381 [0,1,0,0,0,1|1,0,0]=3 237 B15R1.5927 CCCSC(=O)NC1=C(C=C(C=C1)C)C S717053 [0,1,0,0,0,1|1,1,0]=4 238 B15R1.5927 CCCSC(=O)NC1=C(C=C(C=C1)Cl)C S650315 [0,1,0,0,0,1|1,1,0]=4 239 B15R1.5927 O=C(NC1=C(C=C(C=C1)Cl)Cl)OCCBr S649546 [0,1,0,0,0,1|2,0,0]=4 240 B15R1.5927 O=C(NC1=C(C=C(C=C1)Cl)Cl)OCCCl S644994 [0,1,0,0,0,1|2,0,0]=4 241 B15R1.5929 C=CCOC(=O)NC1=CC=C(C=C1)OC S603627 [0,1,0,0,0,1|0,0,2]=4 242 B15R1.5929 CCCNC(=O)NC1=CC=C(C=C1)OC S611506 [0,1,0,0,0,1|1,0,0]=3 243 B15R1.5929 CCCNC(=O)OC1=CC=C(C=C1)SC S752266 [0,1,0,0,0,1|1,1,0]=4 244 B15R1.5929 CCCOC(=O)NC1=CC=C(C=C1)OC S640522 [0,1,0,0,0,1|0,0,0]=2 245 B15R1.5929 COC1=CC=C(C=C1)NC(=O)NCCCl R592455 [0,1,0,0,0,1|2,0,0]=4 246 B15R1.5929 COC1=CC=C(C=C1)NC(=O)NCCO R437492 [0,1,0,0,0,1|2,0,0]=4 247 B15R1.5929 COC1=CC=C(C=C1)NC(=O)OCCCl S612030 [0,1,0,0,0,1|1,0,0]=3 248 B15R1.23 CCCC(C)NC(=O)C1=CC=C(C=C1)Br R269018 [0,2,0,0,0,0|2,0,0]=4 249 B15R1.23 CCCC(C)NC(=O)C1=CC=C(C=C1)Cl R268992 [0,2,0,0,0,0|2,0,0]=4 250 B15R1.46 CCC(CO)NC(=O)C1=CC=C(C=C1)C R547344 [0,2,0,0,0,0|2,0,0]=4 251 B15R1.30 CCCCNCC(=O)C1=CC=C(C=C1)O S564621 [0,2,0,0,0,0|1,0,0]=3 252 B15R1.30 CCCCNNC(=O)C1=CC=C(C=C1)O S728713 [0,2,0,0,0,0|1,0,0]=3 253 B15R1.38 CC1=CC=C(C=C1)S(=O)(=O)OCCCCl S820156 [0,2,0,0,0,0|2,0,0]=4 254 B15R1.38 CC1=CC=C(C=C1)S(=O)(=O)OCCCI T291951 [0,2,0,0,0,0|2,0,0]=4 255 B15R1.38 COCCOS(=O)(=O)C1=CC=C(C=C1)C T286087 [0,2,0,0,0,0|2,0,0]=4 256 B15R1.132 NC1=CC=C(C=C1)C(=O)OCC(O)CO PH011337 [0,2,0,0,0,0|1,0,0]=3 257 B15R1.882 CN(C)CCOC(=O)C1=CC=C(C=C1)Cl PH012997 [0,2,0,0,0,0|1,0,0]=3 258 B15R1.1389 CCCCNC(=O)C1=CC=C(C=C1)OC R588148 [0,2,0,0,0,0|1,0,0]=3 259 B15R1.1404 O=C(NCCCO)C1=CC=C(C(=C1)Cl)Cl L131547 [0,2,0,0,0,0|2,0,0]=4 260 B15R1.5 COC1=CC=C(C=C1)C(=O)CCN(C)C R416495 [0,2,0,0,0,0|2,0,0]=4 261 B15R1.889 CC(C)NCC(=O)C1=CC=C(C(=C1)O)O S346322 [0,2,0,0,0,0|2,0,0]=4 262 B15R1.1222 CCCNC(=O)C1=CC=C(C=C1)B(O)O CDS004834 [0,2,0,0,0,0|1,0,0]=3 263 B15R1.1222 O=C(OCCCl)C1=CC=C(C=C1)[N+](=O)[O-] S651699 [0,2,0,0,0,0|1,0,1]=4 264 B15R1.5924 O=C(NCCO)C1=CC(=C(C(=C1)O)O)O S565938 [0,2,0,0,0,0|2,0,0]=4 265 B15R1.45297 CC1=CC(=C(C(=C1)C)C(=O)OCCBr)C S307076 [0,2,0,0,0,0|2,0,0]=4 266 B13R2.12 BrC1=CC=C(C=C1)C2=NCCC2 PH004992 [1,0,0,1,0,0|2,0,0]=4 267 B13R2.12 NC1=CC=C(C=C1)C2=NCCO2 L497088 [1,0,0,1,0,0|2,0,0]=4 268 B13R2.520 CC1=CC=C(C=C1)C(=O)C2CC2 S372447 [1,0,0,1,0,0|1,0,0]=3 269 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCC2 S58085 [1,0,0,1,0,0|1,0,0]=3 270 B13R2.5179 CC1=CC2=C(C=C1)C(=O)CCO2 PH002854 [1,0,0,1,0,0|2,0,0]=4 271 B13R2.5179 CC1CCCC2=C1C=CC(=C2)O S956082 [1,0,0,1,0,0|1,0,1]=4 272 B13R2.5179 O=C1C=C2CCCC(=O)C2=CN1 PH008527 [1,0,0,1,0,0|1,0,1]=4 273 B13R2.5179 O=C1C=CC2=C(N1)CCCC2=O T326186 [1,0,0,1,0,0|1,0,1]=4 274 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)Br T263710 [1,0,0,1,0,0|1,0,0]=3 275 B13R2.5179 O=C1CCCC2=CC(=CC=C12)Cl JRD0960 [1,0,0,1,0,0|1,0,0]=3 276 B13R2.5179 O=C1CCOC2=CC(=CC=C12)O PH011288 [1,0,0,1,0,0|1,0,0]=3 277 B13R2.5187 CC1CC(=O)C2=C1C=C(C=C2)O PH008300 [1,0,0,1,0,0|0,0,0]=2 278 B13R2.5187 O=C1OC(=O)C2=C1C=CC(=C2)O PH004941 [1,0,0,1,0,0|1,0,1]=4 279 B13R2.371 CN1CCC(=O)C2=CC=CC=C12 PH003691 [1,0,0,1,0,0|2,0,0]=4 280 B13R2.371 O=C1NCC(C2=CC=CC=C12)O PH004949 [1,0,0,1,0,0|2,0,0]=4 281 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 S761877 [1,0,0,1,0,0|2,0,0]=4 282 B13R2.5252 O=C1NCCCC2=CC=CC=C12 CDS005171 [1,0,0,1,0,0|1,0,0]=3 283 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 S682403 [1,0,0,1,0,0|2,0,0]=4 284 B13R2.8137 C=C(C1=CC=CC=C1)C2CCC2 T308064 [1,0,0,1,0,0|2,0,0]=4 285 B15R2.18927 O=C(NC1=CC=C(C=C1)Cl)NC2CC2 S483990 [0,0,0,1,0,1|2,0,0]=4 286 B15R2.91 NC1=CC=C(C=C1)C(=O)N2CCCC2 CDS008764 [0,1,0,1,0,0|2,0,0]=4 287 B15R2.91 O=C(C1=CC=C(C=C1)F)N2CCCC2 PH015521 [0,1,0,1,0,0|2,0,0]=4 288 B15R2.1 COC1=CC=C(C=C1)C2=CCCCC2 S352322 [0,1,0,1,0,0|2,0,0]=4 289 B15R2.447 N#CC1=CC=C(C=C1)C(=O)NC2CC2 EME00422 [0,1,0,1,0,0|2,0,0]=4 290 B15R2.22338 COC1=CC2=C(C=C1)C(=O)NCCC2 R175455 [0,1,0,1,0,0|1,0,0]=3 291 B15R2.389 OC1=CC(=C(C=C1)C2=NCCCN2)O R788104 [0,1,0,1,0,0|2,0,0]=4 292 B15R2.7543 O=C(NC1CC1)C2=CC=C(C=C2Cl)F T327670 [0,1,0,1,0,0|2,0,0]=4 293 B11R1.15 CCOC(=O)C1=CC=C(O1)Br S811386 [1,0,0,0,1,0|2,0,0]=4 294 B13R1.44 C#CCOC(=O)NC1=CC=CC=C1 S370479 [1,0,0,0,0,1|0,0,2]=4 295 B13R1.44 C=CCOC(=O)NC1=CC=CC=C1 PH008700 [1,0,0,0,0,1|0,0,2]=4 296 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [1,0,0,0,0,1|1,0,0]=3 297 B13R1.44 CCCNC(=S)NC1=CC=CC=C1 S615218 [1,0,0,0,0,1|1,1,0]=4 298 B13R1.44 CCCSC(=O)NC1=CC=CC=C1 S643947 [1,0,0,0,0,1|0,1,0]=3 299 B13R1.44 CCONC(=O)NC1=CC=CC=C1 R270830 [1,0,0,0,0,1|2,0,0]=4 300 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [1,0,0,0,0,1|2,0,0]=4 301 B13R1.44 O=C(CCCCl)OC1=CC=CC=C1 S354538 [1,0,0,0,0,1|2,0,0]=4 302 B13R1.44 O=C(NC1=CC=CC=C1)OCCBr S711675 [1,0,0,0,0,1|1,0,0]=3 303 B13R1.44 O=C(NC1=CC=CC=C1)OCCCl S594172 [1,0,0,0,0,1|1,0,0]=3 304 B13R1.44 O=C(NCCCl)NC1=CC=CC=C1 R594377 [1,0,0,0,0,1|2,0,0]=4 305 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S556297 [1,0,0,0,0,1|2,0,0]=4 306 B15R1.139 CCCCC(=O)NNC1=CC=C(C=C1)C S288780 [0,0,0,0,0,2|2,0,0]=4 307 B15R1.139 CCCNC(=O)/C=C/C1=CC=C(C=C1)Cl PH007013 [0,0,0,0,0,2|2,0,0]=4 308 B15R1.139 CCCNC(=O)CCC1=CC=C(C=C1)O T159727 [0,0,0,0,0,2|1,0,0]=3