0 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)Br Z52404043 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)Cl Z52403935 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)F Z52403932 [0,0,0,0,0,0|2,0,2]=4 3 B13R1.17 C#CCNC(=O)C1=CC=C(C=C1)I Z52403973 [0,0,0,0,0,0|2,0,2]=4 4 B13R1.17 C/C=N/NC(=O)C1=CC=C(C=C1)Cl Z57101908 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)Cl Z32064558 [0,0,0,0,0,0|2,0,2]=4 6 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)F Z32064555 [0,0,0,0,0,0|2,0,2]=4 7 B13R1.17 C=CCNC(=O)C1=CC=C(C=C1)N Z317077190 [0,0,0,0,0,0|2,0,2]=4 8 B13R1.17 CC1=CC=C(C=C1)C(=O)NCC#N Z56801319 [0,0,0,0,0,0|3,0,1]=4 9 B13R1.17 CC1=CC=C(C=C1)C(=O)NCCN Z259720736 [0,0,0,0,0,0|3,0,0]=3 10 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F Z104483210 [0,0,0,0,0,0|2,0,0]=2 11 B13R1.17 CCCCN(C)C1=CC=C(C=C1)N Z285202632 [0,0,0,0,0,0|4,0,0]=4 12 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)N Z607822600 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.17 CCCNC(=O)C1=CN=C(C=C1)C Z237806076 [0,0,0,0,0,0|3,0,0]=3 14 B13R1.17 CCCNC(=O)C1=CN=C(C=C1)Cl Z33030598 [0,0,0,0,0,0|3,0,0]=3 15 B13R1.17 CCCNC(=O)C1=CN=C(C=C1)F Z1183725597 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)C Z53835724 [0,0,0,0,0,0|1,0,0]=1 17 B13R1.17 CCCOC(=O)C1=CC=C(C=C1)Cl Z53833147 [0,0,0,0,0,0|1,0,0]=1 18 B13R1.17 COCCC(=O)C1=CC=C(C=C1)F Z447807240 [0,0,0,0,0,0|3,0,0]=3 19 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Br Z440602696 [0,0,0,0,0,0|3,0,1]=4 20 B13R1.17 N#CCCC(=O)C1=CC=C(C=C1)Cl Z440602698 [0,0,0,0,0,0|3,0,1]=4 21 B13R1.17 N#CCNC(=O)C1=CC=C(C=C1)Br Z600498322 [0,0,0,0,0,0|3,0,1]=4 22 B13R1.17 NC1=CC=C(C=C1)C(=O)NCCO Z390184974 [0,0,0,0,0,0|3,0,0]=3 23 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Br Z259720692 [0,0,0,0,0,0|3,0,0]=3 24 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Cl Z285139152 [0,0,0,0,0,0|3,0,0]=3 25 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)F Z259720696 [0,0,0,0,0,0|3,0,0]=3 26 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)O Z285197958 [0,0,0,0,0,0|2,0,0]=2 27 B13R1.17 NCCNC(=O)C1=NC=C(C=C1)Br Z2445760236 [0,0,0,0,0,0|4,0,0]=4 28 B13R1.17 NCCNC(=O)C1=NC=C(C=C1)Cl Z1455674448 [0,0,0,0,0,0|4,0,0]=4 29 B13R1.17 O=C(CCCO)C1=CC=C(C=C1)F Z228585372 [0,0,0,0,0,0|3,0,0]=3 30 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)Cl Z31725206 [0,0,0,0,0,0|3,0,0]=3 31 B13R1.17 O=C(NCCO)C1=CC=C(C=C1)O Z253505576 [0,0,0,0,0,0|2,0,0]=2 32 B13R1.17 O=C(NCCO)C1=NC=C(C=C1)Br Z1065600868 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [1,0,0,0,0,0|2,0,1]=4 35 B12R1.1 CNC/C=C/C1=CC=C(C=C1)Br Z1834223589 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.1 CNCCOC1=CC=C(C=C1)O Z1209979801 [1,0,0,0,0,0|3,0,0]=4 37 B12R1.1 COCCOC1=CC=C(C=C1)O Z381414750 [1,0,0,0,0,0|3,0,0]=4 38 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [1,0,0,0,0,0|2,0,1]=4 39 B12R1.1 NCC/C=C/C1=CC=C(C=C1)Br Z2651620817 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.1 NCCOCC1=CC=C(C=C1)Cl Z1511495255 [1,0,0,0,0,0|2,0,1]=4 41 B12R1.16 C=CCC(=O)C1=CC=C(C=C1)F Z808661950 [1,0,0,0,0,0|1,0,2]=4 42 B12R1.16 CC1=CC=C(C=C1)C(=O)CC#N Z317042080 [1,0,0,0,0,0|2,0,1]=4 43 B12R1.16 CC1=CC=C(C=C1)C(=O)NCO Z56801291 [1,0,0,0,0,0|3,0,0]=4 44 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl Z104483624 [1,0,0,0,0,0|1,0,0]=2 45 B12R1.16 CCCC(=O)C1=NC=C(C=C1)Cl Z1392159744 [1,0,0,0,0,0|2,0,0]=3 46 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [1,0,0,0,0,0|2,0,1]=4 47 B12R1.16 CCNC(=O)C1=CC=C(C=C1)I Z30281227 [1,0,0,0,0,0|2,0,0]=3 48 B12R1.16 CCNC(=O)C1=CC=C(C=C1)N Z239124802 [1,0,0,0,0,0|2,0,0]=3 49 B12R1.16 CCNC(=O)C1=CC=C(C=C1)O Z183861716 [1,0,0,0,0,0|1,0,0]=2 50 B12R1.16 CCNC(=O)C1=CN=C(C=C1)Cl Z32024590 [1,0,0,0,0,0|3,0,0]=4 51 B12R1.16 CCOC(=O)C1=CC=C(C=C1)N Z54178706 [1,0,0,0,0,0|1,0,0]=2 52 B12R1.16 CCOC(=O)C1=CC=C(C=C1)O Z53833636 [1,0,0,0,0,0|0,0,0]=1 53 B12R1.16 CCOC(=O)C1=CN=C(C=C1)Cl Z53836175 [1,0,0,0,0,0|2,0,0]=3 54 B12R1.16 CCOC(=O)C1=CN=C(C=C1)S Z271138134 [1,0,0,0,0,0|1,1,0]=3 55 B12R1.16 CCOC(=O)C1=CN=C(N=C1)Cl Z1160999475 [1,0,0,0,0,0|3,0,0]=4 56 B12R1.16 CCOC(=O)C1=CN=C(N=C1)N Z1198164174 [1,0,0,0,0,0|3,0,0]=4 57 B12R1.16 CCOC(=O)C1=CNC(=O)N=C1 Z1198234972 [1,0,0,0,0,0|2,0,1]=4 58 B12R1.16 CCOC(=O)C1=NC=C(C=C1)N Z1198222817 [1,0,0,0,0,0|2,0,0]=3 59 B12R1.16 CCOC(=O)C1=NC=C(N=C1)Cl Z1255448994 [1,0,0,0,0,0|3,0,0]=4 60 B12R1.16 CCOC(=O)C1=NC=C(N=C1)O Z3235030224 [1,0,0,0,0,0|2,0,0]=3 61 B12R1.16 CCOC(=O)C1=NN=C(C=C1)Cl Z1160850452 [1,0,0,0,0,0|3,0,0]=4 62 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Br Z317042050 [1,0,0,0,0,0|2,0,1]=4 63 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)Cl Z56963409 [1,0,0,0,0,0|2,0,1]=4 64 B12R1.16 N#CCC(=O)C1=CC=C(C=C1)F Z104520972 [1,0,0,0,0,0|2,0,1]=4 65 B12R1.16 O=C(CCCl)C1=CC=C(C=C1)F Z104478542 [1,0,0,0,0,0|2,0,0]=3 66 B12R1.16 O=C(NCO)C1=CC=C(C=C1)Cl Z1198154132 [1,0,0,0,0,0|3,0,0]=4 67 B12R1.30 C#CCCC(=O)C1=CC=CC=C1 Z406376668 [1,0,0,0,0,0|1,0,2]=4 68 B12R1.30 C#CCNC(=O)C1=CC=CC=C1 Z52404005 [1,0,0,0,0,0|1,0,2]=4 69 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [1,0,0,0,0,0|1,0,2]=4 70 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [1,0,0,0,0,0|1,0,2]=4 71 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [1,0,0,0,0,0|2,0,1]=4 72 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [1,0,0,0,0,0|1,0,2]=4 73 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [1,0,0,0,0,0|2,0,1]=4 74 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [1,0,0,0,0,0|1,0,2]=4 75 B12R1.30 CCCNC(=O)C1=CN=CC=C1 Z33030407 [1,0,0,0,0,0|2,0,0]=3 76 B12R1.30 CCCNC(=O)C1=NC=CC=C1 Z33030324 [1,0,0,0,0,0|2,0,0]=3 77 B12R1.30 CCCNC(=O)C1=NC=CN=C1 Z33030588 [1,0,0,0,0,0|3,0,0]=4 78 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [1,0,0,0,0,0|2,0,1]=4 79 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [1,0,0,0,0,0|0,0,0]=1 80 B12R1.30 CCN/N=C(\N)/C1=CC=CC=C1 Z56770998 [1,0,0,0,0,0|3,0,0]=4 81 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [1,0,0,0,0,0|2,0,0]=3 82 B12R1.30 CSCCC(=O)C1=CC=CC=C1 Z1201679033 [1,0,0,0,0,0|2,0,0]=3 83 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 Z168884010 [1,0,0,0,0,0|2,0,1]=4 84 B12R1.30 NCCNC(=O)C1=CC=CC=C1 Z235363051 [1,0,0,0,0,0|2,0,0]=3 85 B12R1.30 NCCNC(=O)C1=CN=CC=C1 Z259720702 [1,0,0,0,0,0|3,0,0]=4 86 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 Z104477558 [1,0,0,0,0,0|2,0,0]=3 87 B12R1.30 O=C(NCCO)C1=CC=CC=C1 Z31725250 [1,0,0,0,0,0|2,0,0]=3 88 B12R1.30 O=C(NCCO)C1=CC=NC=C1 Z31725198 [1,0,0,0,0,0|3,0,0]=4 89 B12R1.30 O=C(NCCO)C1=CN=CC=C1 Z31725207 [1,0,0,0,0,0|3,0,0]=4 90 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [1,0,0,0,0,0|1,0,0]=2 91 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [1,0,0,0,0,0|1,0,0]=2 92 B14R1.10 CC(CO)NC(=O)C1=CC=C(C=C1)N Z425723638 [0,1,0,0,0,0|3,0,0]=4 93 B14R1.10 CCC(=O)CC(=O)C1=CC=C(C=C1)Br Z359504784 [0,1,0,0,0,0|2,0,1]=4 94 B14R1.10 CCC(C)NC(=O)C1=CC=C(C=C1)N Z239124564 [0,1,0,0,0,0|2,0,0]=3 95 B14R1.19 CC1=CC=C(C=C1)C(=O)CCCC#N Z1255403116 [0,1,0,0,0,0|2,0,1]=4 96 B14R1.19 CCCCNC(=O)C1=CC=C(C=C1)Cl Z31763358 [0,1,0,0,0,0|2,0,0]=3 97 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)Cl Z291806332 [0,1,0,0,0,0|1,0,0]=2 98 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)N Z57126994 [0,1,0,0,0,0|1,0,0]=2 99 B14R1.19 CCCCOC(=O)C1=CC=C(C=C1)O Z291799028 [0,1,0,0,0,0|0,0,0]=1 100 B14R1.19 COCCCC(=O)C1=CC=C(C=C1)Br Z447807228 [0,1,0,0,0,0|2,0,0]=3 101 B14R1.19 COCCNC(=N)C1=CC=C(C=C1)C Z1428159809 [0,1,0,0,0,0|3,0,0]=4 102 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)Cl Z31438062 [0,1,0,0,0,0|2,0,0]=3 103 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)I Z27706961 [0,1,0,0,0,0|2,0,0]=3 104 B14R1.19 COCCNC(=O)C1=CC=C(C=C1)O Z184584378 [0,1,0,0,0,0|1,0,0]=2 105 B14R1.19 COCCNC(=O)C1=CC=[N+](C=C1)[O-] Z31438667 [0,1,0,0,0,0|2,0,1]=4 106 B14R1.19 COCCNC(=O)C1=CN=C(C=C1)C Z241853534 [0,1,0,0,0,0|3,0,0]=4 107 B14R1.19 COCCNC(=O)C1=CN=C(C=C1)Cl Z31438254 [0,1,0,0,0,0|3,0,0]=4 108 B14R1.19 NC1=CC=C(C=C1)C(=O)NCCCO Z390184874 [0,1,0,0,0,0|2,0,0]=3 109 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)Br Z295405122 [0,1,0,0,0,0|2,0,0]=3 110 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)Cl Z295405126 [0,1,0,0,0,0|2,0,0]=3 111 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)F Z1165351299 [0,1,0,0,0,0|2,0,0]=3 112 B14R1.19 NCCCNC(=O)C1=CC=C(C=C1)O Z234898163 [0,1,0,0,0,0|1,0,0]=2 113 B14R1.19 O=C(NCCCO)C1=CC=C(C=C1)Cl Z68223302 [0,1,0,0,0,0|2,0,0]=3 114 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)C Z99599884 [0,1,0,0,0,0|3,0,0]=4 115 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)Cl Z838170334 [0,1,0,0,0,0|3,0,0]=4 116 B14R1.35 CCOC(=O)C(=O)C1=CC=C(C=C1)F Z838170298 [0,1,0,0,0,0|3,0,0]=4 117 B14R1.35 CN(CCO)C(=O)C1=CC=C(C=C1)Cl Z68138270 [0,1,0,0,0,0|3,0,0]=4 118 B14R1.35 CN(CCO)C(=O)C1=CC=C(C=C1)F Z68138268 [0,1,0,0,0,0|3,0,0]=4 119 B14R1.35 CN(CCO)C(=O)C1=CC=C(C=C1)O Z636112682 [0,1,0,0,0,0|2,0,0]=3 120 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)Br Z45545162 [0,1,0,0,0,0|3,0,0]=4 121 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)C Z45545175 [0,1,0,0,0,0|3,0,0]=4 122 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)Cl Z45545161 [0,1,0,0,0,0|3,0,0]=4 123 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)F Z45545178 [0,1,0,0,0,0|3,0,0]=4 124 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)I Z199511130 [0,1,0,0,0,0|3,0,0]=4 125 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)N Z57708626 [0,1,0,0,0,0|3,0,0]=4 126 B14R1.125 CCCNS(=O)(=O)C1=CC=C(C=C1)O Z381036118 [0,1,0,0,0,0|2,0,0]=3 127 B14R1.125 CCCOS(=O)(=O)C1=CC=C(C=C1)C Z1269122153 [0,1,0,0,0,0|2,0,0]=3 128 B14R1.678 CC(=NNC(=O)C1=CC=C(C=C1)O)C Z56901162 [0,1,0,0,0,0|2,0,1]=4 129 B14R1.678 CC(C)CCC(=O)C1=CC=C(C=C1)Cl Z385417182 [0,1,0,0,0,0|2,0,0]=3 130 B14R1.678 CC(C)CNC(=O)C1=CC=C(C=C1)N Z239124632 [0,1,0,0,0,0|2,0,0]=3 131 B14R1.678 CC(C)CNC(=O)C1=CN=C(C=C1)Cl Z32386030 [0,1,0,0,0,0|3,0,0]=4 132 B14R1.678 CC(C)CNC(=O)C1=CN=C(C=C1)F Z1183725610 [0,1,0,0,0,0|3,0,0]=4 133 B14R1.678 CC(O)CNC(=O)C1=CC=C(C=C1)Br Z68385279 [0,1,0,0,0,0|2,0,0]=3 134 B14R1.678 CC(O)CNC(=O)C1=CC=C(C=C1)Cl Z68385286 [0,1,0,0,0,0|2,0,0]=3 135 B14R1.678 CC1=NC=C(C=C1)C(=O)NCC(C)C Z241245692 [0,1,0,0,0,0|3,0,0]=4 136 B14R1.678 CN(C)CCC(=O)C1=CC=C(C=C1)F Z57073897 [0,1,0,0,0,0|3,0,0]=4 137 B14R1.678 NC(=O)CNC(=O)C1=CC=C(C=C1)O Z253842400 [0,1,0,0,0,0|2,0,1]=4 138 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)Br Z19682631 [0,1,0,0,0,0|2,0,1]=4 139 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)Cl Z19702035 [0,1,0,0,0,0|2,0,1]=4 140 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)I Z19776695 [0,1,0,0,0,0|2,0,1]=4 141 B14R1.678 NC(=O)COC(=O)C1=CC=C(C=C1)O Z19674826 [0,1,0,0,0,0|1,0,1]=3 142 B14R1.678 O=C(O)CCC(=O)C1=CC=C(C=C1)O Z1255458188 [0,1,0,0,0,0|2,0,1]=4 143 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)O Z285193230 [0,1,0,0,0,0|2,0,1]=4 144 B14R1.926 C#CCNC(=O)C1=CC=C(C=C1)OC Z52403983 [0,1,0,0,0,0|1,0,2]=4 145 B14R1.926 CCCCC(N)C1=CC=C(C=C1)OC Z291233346 [0,1,0,0,0,0|2,0,1]=4 146 B14R1.926 CCCNC(=O)C1=CC=C(C=C1)C#N Z33030599 [0,1,0,0,0,0|2,0,0]=3 147 B14R1.926 CCONC(=O)C1=CN=C(C=C1)OC Z254324700 [0,1,0,0,0,0|3,0,0]=4 148 B14R1.926 COC1=CC=C(C=C1)C(=O)CCC#N Z440602716 [0,1,0,0,0,0|2,0,1]=4 149 B14R1.926 COC1=CC=C(C=C1)C(=O)NCC#N Z600498184 [0,1,0,0,0,0|2,0,1]=4 150 B14R1.926 COC1=CC=C(C=C1)C(=O)NCCN Z594272034 [0,1,0,0,0,0|2,0,0]=3 151 B14R1.926 COC1=CC=C(C=C1)C(=O)NCCO Z31725236 [0,1,0,0,0,0|2,0,0]=3 152 B14R1.926 O=CC1=CC=C(C=C1)C(=O)OCCO Z291847696 [0,1,0,0,0,0|1,0,1]=3 153 B14R1.941 C#CCNC(=O)C1=CC(=C(C=C1)O)Cl Z188793148 [0,1,0,0,0,0|1,0,2]=4 154 B14R1.941 CC1=C(C=C(C=C1)C(=O)NCCN)F Z259720794 [0,1,0,0,0,0|3,0,0]=4 155 B14R1.941 CC1=C(C=C(C=C1)C(=O)NCCO)Cl Z57261333 [0,1,0,0,0,0|3,0,0]=4 156 B14R1.941 CCCNC(=O)C1=CC(=C(C=C1)C)F Z135571270 [0,1,0,0,0,0|2,0,0]=3 157 B14R1.941 CCCNC(=O)C1=CC(=C(C=C1)O)Cl Z68365931 [0,1,0,0,0,0|1,0,0]=2 158 B14R1.941 CCCOC(=O)C1=CC(=C(C=C1)Cl)N Z53836843 [0,1,0,0,0,0|1,0,0]=2 159 B14R1.941 CCONC(=O)C1=CC(=C(C=C1)C)I Z1090920066 [0,1,0,0,0,0|3,0,0]=4 160 B14R1.941 CCONC(=O)C1=CC(=C(C=C1)I)C Z1119015806 [0,1,0,0,0,0|3,0,0]=4 161 B14R1.941 NCCNC(=O)C1=CC(=C(C=C1)Cl)Cl Z1455670971 [0,1,0,0,0,0|3,0,0]=4 162 B14R1.941 NCCNC(=O)C1=CC(=C(C=C1)F)F Z285198060 [0,1,0,0,0,0|3,0,0]=4 163 B14R1.2523 CCCNC(=O)C1=C(C=C(C=C1)Cl)N Z239124192 [0,1,0,0,0,0|2,0,0]=3 164 B14R1.2523 CCCNC(=O)C1=C(C=C(C=C1)N)Cl Z239124194 [0,1,0,0,0,0|2,0,0]=3 165 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Br)F Z193289032 [0,1,0,0,0,0|3,0,0]=4 166 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Br)O Z910449340 [0,1,0,0,0,0|3,0,0]=4 167 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Cl)Cl Z245505802 [0,1,0,0,0,0|3,0,0]=4 168 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)Cl)F Z193288994 [0,1,0,0,0,0|3,0,0]=4 169 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)F)Br Z193288508 [0,1,0,0,0,0|3,0,0]=4 170 B14R1.2523 CCONC(=O)C1=C(C=C(C=C1)F)Cl Z247485926 [0,1,0,0,0,0|3,0,0]=4 171 B14R1.2523 NC1=CC(=C(C=C1)C(=O)NCCO)Cl Z390184964 [0,1,0,0,0,0|3,0,0]=4 172 B14R1.2523 NCCNC(=O)C1=C(C=C(C=C1)F)F Z992717078 [0,1,0,0,0,0|3,0,0]=4 173 B14R2.68 BrC1=CC=C(C=C1)C2=CCCCC2 Z56759785 [0,0,0,1,0,0|3,0,0]=4 174 B14R2.68 BrC1=CC=C(C=C1)C2OCCCO2 Z1269189023 [0,0,0,1,0,0|1,0,2]=4 175 B14R2.68 OC1=CC=C(C=C1)C2=CCNCC2 Z164708534 [0,0,0,1,0,0|3,0,0]=4 176 B14R2.68 OC1=CC=C(C=C1)C2CCCCC2 Z104493638 [0,0,0,1,0,0|2,0,1]=4 177 B14R2.68 OC1=CC=C(C=C1)C2CCCCN2 Z2733007684 [0,0,0,1,0,0|2,0,1]=4 178 B14R2.68 OC1=CC=C(C=C1)C2SCCCS2 Z839133394 [0,0,0,1,0,0|0,2,1]=4 179 B14R2.933 CC(NC1CC1)C2=CC=C(C=C2)O Z239624718 [0,0,0,1,0,0|2,0,1]=4 180 B14R2.933 CC1=NC=C(C=C1)C(=O)NC2CC2 Z237825502 [0,0,0,1,0,0|3,0,0]=4 181 B14R2.933 NC1=CC=C(C=C1)C(=O)NC2CC2 Z218602490 [0,0,0,1,0,0|2,0,0]=3 182 B14R2.933 O=C(CC1CC1)C2=CC=C(C=C2)Cl Z826523960 [0,0,0,1,0,0|2,0,0]=3 183 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)Br Z30841042 [0,0,0,1,0,0|2,0,0]=3 184 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)I Z30841053 [0,0,0,1,0,0|2,0,0]=3 185 B14R2.933 O=C(NC1CC1)C2=CC=C(C=C2)O Z183418594 [0,0,0,1,0,0|1,0,0]=2 186 B14R2.933 O=C(NC1CC1)C2=CN=C(C=C2)Br Z1269146121 [0,0,0,1,0,0|3,0,0]=4 187 B14R2.933 O=C(NC1CC1)C2=CN=C(C=C2)Cl Z32367958 [0,0,0,1,0,0|3,0,0]=4 188 B14R2.933 O=C(NC1CC1)C2=NC=C(C=C2)Br Z1065605110 [0,0,0,1,0,0|3,0,0]=4 189 B14R2.933 O=C(NC1CC1)C2=NC=C(C=C2)Cl Z1231609616 [0,0,0,1,0,0|3,0,0]=4 190 B14R2.8719 CC1=CC2=C(C=C1)C(=O)CCCO2 Z1362956347 [0,0,0,1,0,0|3,0,0]=4 191 B14R2.8719 O=C1CCCCC2=C1C=CC(=C2)Br Z1269159915 [0,0,0,1,0,0|2,0,0]=3 192 B14R2.8719 O=C1CCCOC2=C1C=CC(=C2)Br Z235344819 [0,0,0,1,0,0|3,0,0]=4 193 B14R2.8719 O=C1CCCOC2=C1C=CC(=C2)Cl Z1362956332 [0,0,0,1,0,0|3,0,0]=4 194 B14R2.8719 O=C1NCCCC2=C1C=CC(=C2)O Z1198174116 [0,0,0,1,0,0|1,0,0]=2 195 B14R2.8719 O=C1NCCOC2=C1C=CC(=C2)Br Z1661213704 [0,0,0,1,0,0|3,0,0]=4 196 B14R2.8751 NC1CCC(=O)C2=C1C=C(C=C2)Br Z3782678910 [0,0,0,1,0,0|3,0,0]=4 197 B14R2.10606 NC1=CC=C(C=C1)C(=O)C2CCC2 Z1206804874 [0,0,0,1,0,0|2,0,0]=3 198 B14R2.10606 O=C(C1=CC=C(C=C1)Br)C2CCC2 Z385417624 [0,0,0,1,0,0|2,0,0]=3 199 B12R1.29 CCCNC(=O)C1=CC(=CN1)Br Z183047762 [0,0,0,0,1,0|3,0,0]=4 200 B12R1.29 CCCNC(=O)C1=CC=C(S1)C Z33030420 [0,0,0,0,1,0|3,0,0]=4 201 B12R1.29 CCCNC(=O)C1=CC=C(S1)Cl Z33030524 [0,0,0,0,1,0|3,0,0]=4 202 B12R1.29 CCCNC(=O)C1=CSC(=C1)Br Z332623630 [0,0,0,0,1,0|3,0,0]=4 203 B14R1.33 CCCCC(=O)OC1=CC=C(C=C1)Br Z28205141 [0,0,0,0,0,1|2,0,0]=3 204 B14R1.33 CCCNC(=O)NC1=CC=C(C=C1)F Z44586769 [0,0,0,0,0,1|2,0,0]=3 205 B14R1.33 CCNCC(=O)NC1=CC=C(C=C1)Br Z46193506 [0,0,0,0,0,1|3,0,0]=4 206 B14R1.33 CCONC(=O)CC1=CC=C(C=C1)Br Z193284454 [0,0,0,0,0,1|3,0,0]=4 207 B14R1.33 CCONC(=O)CC1=CC=C(C=C1)Cl Z245505846 [0,0,0,0,0,1|3,0,0]=4 208 B14R1.33 CNCCC(=O)NC1=CC=C(C=C1)F Z852428062 [0,0,0,0,0,1|3,0,0]=4 209 B14R1.33 COCNC(=O)NC1=CC=C(C=C1)Cl Z56757265 [0,0,0,0,0,1|3,0,0]=4 210 B14R1.33 NC1=CC=C(C=C1)CC(=O)NCCO Z1160900184 [0,0,0,0,0,1|3,0,0]=4 211 B14R1.33 NCCCC(=O)NC1=CC=C(C=C1)Cl Z600397728 [0,0,0,0,0,1|3,0,0]=4 212 B14R1.33 O=C(CC1=CC=C(C=C1)O)NCCO Z135440350 [0,0,0,0,0,1|2,0,0]=3 213 B14R1.33 O=C(NCCO)NC1=CC=C(C=C1)Cl Z123743880 [0,0,0,0,0,1|3,0,0]=4 214 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [2,0,0,0,0,0|2,0,0]=4 215 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [2,0,0,0,0,0|0,0,2]=4 216 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [2,0,0,0,0,0|2,0,0]=4 217 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [2,0,0,0,0,0|2,0,0]=4 218 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [2,0,0,0,0,0|1,0,1]=4 219 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [2,0,0,0,0,0|2,0,0]=4 220 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [2,0,0,0,0,0|1,0,0]=3 221 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [2,0,0,0,0,0|1,0,1]=4 222 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [2,0,0,0,0,0|1,0,1]=4 223 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [2,0,0,0,0,0|1,0,1]=4 224 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [2,0,0,0,0,0|2,0,0]=4 225 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [2,0,0,0,0,0|2,0,0]=4 226 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [2,0,0,0,0,0|2,0,0]=4 227 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [2,0,0,0,0,0|2,0,0]=4 228 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [2,0,0,0,0,0|2,0,0]=4 229 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [2,0,0,0,0,0|1,0,1]=4 230 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [2,0,0,0,0,0|2,0,0]=4 231 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [2,0,0,0,0,0|2,0,0]=4 232 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [2,0,0,0,0,0|2,0,0]=4 233 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [2,0,0,0,0,0|2,0,0]=4 234 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [2,0,0,0,0,0|2,0,0]=4 235 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [2,0,0,0,0,0|1,0,1]=4 236 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [2,0,0,0,0,0|2,0,0]=4 237 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [2,0,0,0,0,0|1,0,0]=3 238 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [2,0,0,0,0,0|1,0,1]=4 239 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [2,0,0,0,0,0|1,0,1]=4 240 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [2,0,0,0,0,0|1,0,1]=4 241 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [2,0,0,0,0,0|1,0,1]=4 242 B11R1.16 C/C=C/C(=O)C1=CC=CC=C1 Z2259130553 [2,0,0,0,0,0|0,0,2]=4 243 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [2,0,0,0,0,0|0,0,0]=2 244 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [2,0,0,0,0,0|1,0,0]=3 245 B11R1.16 CCCC(=O)C1=NC=CC=C1 Z513733774 [2,0,0,0,0,0|1,0,0]=3 246 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [2,0,0,0,0,0|0,0,2]=4 247 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [2,0,0,0,0,0|0,0,0]=2 248 B11R1.16 CCOC(=O)C1=CC=NC=C1 Z53833081 [2,0,0,0,0,0|1,0,0]=3 249 B11R1.16 CCOC(=O)C1=CN=CC=C1 Z104476924 [2,0,0,0,0,0|1,0,0]=3 250 B11R1.16 CCOC(=O)C1=NC=CN=C1 Z53835886 [2,0,0,0,0,0|2,0,0]=4 251 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [2,0,0,0,0,0|1,0,0]=3 252 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [2,0,0,0,0,0|1,0,1]=4 253 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [2,0,0,0,0,0|2,0,0]=4 254 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [2,0,0,0,0,0|1,0,0]=3 255 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [2,0,0,0,0,0|2,0,0]=4 256 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [2,0,0,0,0,0|2,0,0]=4 257 B11R1.22 C=CC(=O)C1=CC=C(C=C1)O Z1416178613 [2,0,0,0,0,0|0,0,2]=4 258 B11R1.22 CC1=CC=C(C=C1)C(=O)CBr Z104481640 [2,0,0,0,0,0|2,0,0]=4 259 B11R1.22 CC1=CC=C(C=C1)C(=O)CCl Z56886309 [2,0,0,0,0,0|2,0,0]=4 260 B11R1.22 CC1=CC=C(C=C1)C(=O)CN Z275368898 [2,0,0,0,0,0|2,0,0]=4 261 B11R1.22 CC1=CC=C(C=C1)C(=O)CO Z228585628 [2,0,0,0,0,0|2,0,0]=4 262 B11R1.22 CCC(=O)C1=CC=C(C=C1)Br Z104485724 [2,0,0,0,0,0|1,0,0]=3 263 B11R1.22 CCC(=O)C1=CC=C(C=C1)Cl Z104477486 [2,0,0,0,0,0|1,0,0]=3 264 B11R1.22 CCC(=O)C1=CC=C(C=C1)F Z104477898 [2,0,0,0,0,0|1,0,0]=3 265 B11R1.22 CCC(=O)C1=CC=C(C=C1)I Z285137052 [2,0,0,0,0,0|1,0,0]=3 266 B11R1.22 CCC(=O)C1=CC=C(C=C1)N Z1203578051 [2,0,0,0,0,0|1,0,0]=3 267 B11R1.22 CCC(=O)C1=CC=C(C=C1)O Z104499156 [2,0,0,0,0,0|0,0,0]=2 268 B11R1.22 CCC(=O)C1=CN=C(C=C1)F Z1216820526 [2,0,0,0,0,0|2,0,0]=4 269 B11R1.22 CCC(=O)C1=NC=C(C=C1)F Z1341677536 [2,0,0,0,0,0|2,0,0]=4 270 B11R1.22 CCC(C)C1=CC=C(C=C1)O Z104484172 [2,0,0,0,0,0|1,0,1]=4 271 B11R1.22 CCC(O)C1=CC=C(C=C1)O Z228586170 [2,0,0,0,0,0|0,0,2]=4 272 B11R1.22 CCS(=O)C1=CC=C(C=C1)F Z1154828228 [2,0,0,0,0,0|2,0,0]=4 273 B11R1.22 CNC(=O)C1=CC=C(C=C1)Br Z30272262 [2,0,0,0,0,0|2,0,0]=4 274 B11R1.22 CNC(=O)C1=CC=C(C=C1)C Z32016517 [2,0,0,0,0,0|2,0,0]=4 275 B11R1.22 CNC(=O)C1=CC=C(C=C1)Cl Z32016366 [2,0,0,0,0,0|2,0,0]=4 276 B11R1.22 CNC(=O)C1=CC=C(C=C1)I Z30272273 [2,0,0,0,0,0|2,0,0]=4 277 B11R1.22 CNC(=O)C1=CC=C(C=C1)N Z56985799 [2,0,0,0,0,0|2,0,0]=4 278 B11R1.22 CNC(=O)C1=CC=C(C=C1)O Z183855140 [2,0,0,0,0,0|1,0,0]=3 279 B11R1.22 COC(=O)C1=CC=C(C=C1)Br Z19682625 [2,0,0,0,0,0|1,0,0]=3 280 B11R1.22 COC(=O)C1=CC=C(C=C1)I Z19776689 [2,0,0,0,0,0|1,0,0]=3 281 B11R1.22 COC(=O)C1=CC=C(C=C1)N Z54178705 [2,0,0,0,0,0|1,0,0]=3 282 B11R1.22 COC(=O)C1=CC=C(C=C1)O Z19674820 [2,0,0,0,0,0|0,0,0]=2 283 B11R1.22 COC(=O)C1=CN=C(C=C1)Br Z1269148380 [2,0,0,0,0,0|2,0,0]=4 284 B11R1.22 COC(=O)C1=CN=C(C=C1)C Z237546062 [2,0,0,0,0,0|2,0,0]=4 285 B11R1.22 COC(=O)C1=CN=C(C=C1)Cl Z18370508 [2,0,0,0,0,0|2,0,0]=4 286 B11R1.22 COC(=O)C1=CN=C(C=C1)F Z1255446614 [2,0,0,0,0,0|2,0,0]=4 287 B11R1.22 COC(=O)C1=CN=C(C=C1)N Z1117858114 [2,0,0,0,0,0|2,0,0]=4 288 B11R1.22 COC(=O)C1=CNC(=O)C=C1 Z166630186 [2,0,0,0,0,0|1,0,1]=4 289 B11R1.22 COC(=O)C1=COC(=O)C=C1 Z955121426 [2,0,0,0,0,0|1,0,1]=4 290 B11R1.22 COC(=O)C1=NC=C(C=C1)Br Z1065600802 [2,0,0,0,0,0|2,0,0]=4 291 B11R1.22 COC(=O)C1=NC=C(C=C1)Cl Z2903977159 [2,0,0,0,0,0|2,0,0]=4 292 B11R1.22 COC(=O)C1=NC=C(C=C1)I Z1322794368 [2,0,0,0,0,0|2,0,0]=4 293 B11R1.22 NCC(=O)C1=CC=C(C=C1)Br Z1741980207 [2,0,0,0,0,0|2,0,0]=4 294 B11R1.22 NCC(=O)C1=CC=C(C=C1)Cl Z56928681 [2,0,0,0,0,0|2,0,0]=4 295 B11R1.22 NCC(=O)C1=CC=C(C=C1)F Z275365838 [2,0,0,0,0,0|2,0,0]=4 296 B11R1.22 NCC(=O)C1=CC=C(C=C1)O Z1198177329 [2,0,0,0,0,0|1,0,0]=3 297 B11R1.22 NNC(=O)C1=CC=C(C=C1)O Z57036327 [2,0,0,0,0,0|2,0,0]=4 298 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Br Z57708731 [2,0,0,0,0,0|2,0,0]=4 299 B11R1.22 O=C(CBr)C1=CC=C(C=C1)Cl Z104484576 [2,0,0,0,0,0|2,0,0]=4 300 B11R1.22 O=C(CBr)C1=CC=C(C=C1)F Z104495742 [2,0,0,0,0,0|2,0,0]=4 301 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Br Z56886257 [2,0,0,0,0,0|2,0,0]=4 302 B11R1.22 O=C(CCl)C1=CC=C(C=C1)Cl Z104477840 [2,0,0,0,0,0|2,0,0]=4 303 B11R1.22 O=C(CCl)C1=CC=C(C=C1)F Z104478978 [2,0,0,0,0,0|2,0,0]=4 304 B11R1.22 O=C(CCl)C1=CC=C(C=C1)I Z57046985 [2,0,0,0,0,0|2,0,0]=4 305 B11R1.22 O=C(CCl)C1=CC=C(C=C1)O Z104378296 [2,0,0,0,0,0|1,0,0]=3 306 B11R1.22 O=C(CO)C1=CC=C(C=C1)Cl Z906206720 [2,0,0,0,0,0|2,0,0]=4 307 B13R1.9 CCCCCOC1=CC=C(C=C1)O Z56899109 [1,1,0,0,0,0|1,0,1]=4 308 B13R1.371 CCCNCC1=CC=C(C=C1)OC Z2689031662 [1,1,0,0,0,0|1,0,1]=4 309 B13R1.371 COC1=CC=C(C=C1)COCCN Z335080350 [1,1,0,0,0,0|1,0,1]=4 310 B13R1.29 CCOS(=O)(=O)C1=CC=C(C=C1)C Z57169563 [1,1,0,0,0,0|2,0,0]=4 311 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Br Z56941083 [1,1,0,0,0,0|1,0,1]=4 312 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)C Z56941082 [1,1,0,0,0,0|1,0,1]=4 313 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl Z56876401 [1,1,0,0,0,0|1,0,1]=4 314 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)F Z56911911 [1,1,0,0,0,0|1,0,1]=4 315 B13R1.132 CC(C)CC(=O)C1=CC=C(C=C1)Cl Z385417372 [1,1,0,0,0,0|1,0,0]=3 316 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)Cl Z31385854 [1,1,0,0,0,0|2,0,0]=4 317 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)N Z239124428 [1,1,0,0,0,0|2,0,0]=4 318 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)Cl Z53833146 [1,1,0,0,0,0|1,0,0]=3 319 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)N Z54178707 [1,1,0,0,0,0|1,0,0]=3 320 B13R1.132 CC(C)OC(=O)C1=CC=C(C=C1)O Z53833637 [1,1,0,0,0,0|0,0,0]=2 321 B13R1.132 CC(C)OC(=O)C1=NC=C(C=C1)F Z1655715727 [1,1,0,0,0,0|2,0,0]=4 322 B13R1.132 CC(N)CC(=O)C1=CC=C(C=C1)F Z1431002692 [1,1,0,0,0,0|1,0,0]=3 323 B13R1.452 CCCC(=O)C1=CC=C(C=C1)OC Z385418282 [1,1,0,0,0,0|0,0,0]=2 324 B13R1.452 CCCC(N)C1=CC=C(C=C1)OC Z1509094932 [1,1,0,0,0,0|1,0,1]=4 325 B13R1.452 CCNC(=O)C1=CC=C(C=C1)C=O Z1068186388 [1,1,0,0,0,0|1,0,1]=4 326 B13R1.452 CCNC(=O)C1=CC=C(C=C1)CN Z239125928 [1,1,0,0,0,0|2,0,0]=4 327 B13R1.452 CCNC(=O)C1=CC=C(C=C1)OC Z32024428 [1,1,0,0,0,0|1,0,0]=3 328 B13R1.452 CCOC(=O)C1=CC=C(C=C1)CN Z56788169 [1,1,0,0,0,0|1,0,0]=3 329 B13R1.452 CCOC(=O)C1=CC=C(C=C1)SC Z292454850 [1,1,0,0,0,0|0,1,0]=3 330 B13R1.452 COC1=CC=C(C=C1)C(=O)CC#N Z55928932 [1,1,0,0,0,0|1,0,1]=4 331 B13R1.452 CONC(=O)C1=CC=C(C=C1)OC Z240605130 [1,1,0,0,0,0|2,0,0]=4 332 B13R1.466 CCCC(=O)C1=CC(=C(C=C1)Cl)Cl Z389926872 [1,1,0,0,0,0|1,0,0]=3 333 B13R1.466 CCNC(=O)C1=CC(=C(C=C1)C)I Z1090275538 [1,1,0,0,0,0|2,0,0]=4 334 B13R1.466 CCNC(=O)C1=CC(=C(C=C1)C)N Z239124824 [1,1,0,0,0,0|2,0,0]=4 335 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Br)Cl Z1269181841 [1,1,0,0,0,0|1,0,0]=3 336 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)Cl)N Z53836841 [1,1,0,0,0,0|1,0,0]=3 337 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)F)F Z292646542 [1,1,0,0,0,0|1,0,0]=3 338 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)I)N Z1079174236 [1,1,0,0,0,0|1,0,0]=3 339 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Br Z300089520 [1,1,0,0,0,0|1,0,0]=3 340 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)Cl Z3847061950 [1,1,0,0,0,0|1,0,0]=3 341 B13R1.466 CCOC(=O)C1=CC(=C(C=C1)N)O Z594210704 [1,1,0,0,0,0|1,0,0]=3 342 B13R1.466 CCOC(=O)C1=NC(=C(C=C1)Cl)Cl Z1269160484 [1,1,0,0,0,0|2,0,0]=4 343 B13R1.1511 CCCC(=O)C1=C(C=C(C=C1)Cl)Cl Z802544640 [1,1,0,0,0,0|1,0,0]=3 344 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)Cl)Cl Z32024432 [1,1,0,0,0,0|2,0,0]=4 345 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)Cl)N Z239124804 [1,1,0,0,0,0|2,0,0]=4 346 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)Cl)O Z68258951 [1,1,0,0,0,0|2,0,0]=4 347 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)F)Br Z90728444 [1,1,0,0,0,0|2,0,0]=4 348 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)F)Cl Z32024895 [1,1,0,0,0,0|2,0,0]=4 349 B13R1.1511 CCNC(=O)C1=C(C=C(C=C1)I)Cl Z1090275550 [1,1,0,0,0,0|2,0,0]=4 350 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)Br Z283348920 [1,1,0,0,0,0|1,0,0]=3 351 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)C Z1198166822 [1,1,0,0,0,0|1,0,0]=3 352 B13R1.1511 CCOC(=O)C1=C(C=C(C=C1)F)F Z53836105 [1,1,0,0,0,0|1,0,0]=3 353 B13R1.1511 CCOC(=O)C1=C(C=C(N=C1)Br)Cl Z2310130184 [1,1,0,0,0,0|2,0,0]=4 354 B13R1.1511 CCOC(=O)C1=C(C=C(N=C1)Cl)Cl Z1262255699 [1,1,0,0,0,0|2,0,0]=4 355 B13R1.1511 CCOC(=O)C1=C(C=C(N=N1)O)O Z3235029602 [1,1,0,0,0,0|2,0,0]=4 356 B13R1.1511 CCOC(=O)C1=C(N=C(C=C1)Cl)Cl Z962652392 [1,1,0,0,0,0|2,0,0]=4 357 B13R1.1511 CCOC(=O)C1=CNC(=CC1=O)O Z1270640440 [1,1,0,0,0,0|1,0,0]=3 358 B13R1.11 CC(C#N)OC(=O)C1=CC=CC=C1 Z19825292 [1,1,0,0,0,0|1,0,1]=4 359 B13R1.11 CCC(=O)CC(=O)C1=CC=CC=C1 Z359504792 [1,1,0,0,0,0|1,0,1]=4 360 B13R1.18 CC1=CC(=CC=C1)C(=O)NCCN Z259720776 [1,1,0,0,0,0|2,0,0]=4 361 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)N Z239124184 [1,1,0,0,0,0|1,0,0]=3 362 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O Z33030404 [1,1,0,0,0,0|1,0,0]=3 363 B13R1.18 CCCNC(=O)C1=NC=CC(=C1)Cl Z82200429 [1,1,0,0,0,0|2,0,0]=4 364 B13R1.18 CCCOC(=O)C1=CC(=CC=C1)Br Z53834959 [1,1,0,0,0,0|0,0,0]=2 365 B13R1.18 CCCOC(=O)C1=CC(=CC=C1)F Z53835820 [1,1,0,0,0,0|0,0,0]=2 366 B13R1.18 CCCOC(=O)C1=CC(=CC=C1)O Z53833422 [1,1,0,0,0,0|0,0,0]=2 367 B13R1.18 CCCOC(=O)C1=NC(=CC=C1)Cl Z987238242 [1,1,0,0,0,0|1,0,0]=3 368 B13R1.18 CCONC(=O)C1=CC(=CC=C1)I Z193284234 [1,1,0,0,0,0|2,0,0]=4 369 B13R1.18 N#CCOC(=O)C1=CC=CC(=C1)I Z18359588 [1,1,0,0,0,0|1,0,1]=4 370 B13R1.18 NC1=CC(=CC=C1)C(=O)NCCO Z1262250890 [1,1,0,0,0,0|2,0,0]=4 371 B13R1.18 NCCNC(=O)C1=CC(=CC=C1)Br Z992716926 [1,1,0,0,0,0|2,0,0]=4 372 B13R1.18 O=C(NCCO)C1=CC(=CC=C1)O Z31725204 [1,1,0,0,0,0|2,0,0]=4 373 B13R1.18 O=C(OCCF)C1=CC(=CC=C1)F Z1245230115 [1,1,0,0,0,0|1,0,0]=3 374 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 Z1219747350 [1,1,0,0,0,0|1,0,1]=4 375 B13R1.24 CC(OCCCN)C1=CC=CC=C1 Z99601222 [1,1,0,0,0,0|1,0,1]=4 376 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 Z31763402 [1,1,0,0,0,0|1,0,0]=3 377 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 Z104473208 [1,1,0,0,0,0|0,0,0]=2 378 B13R1.24 COCCCC(=O)C1=CN=CC=C1 Z992963354 [1,1,0,0,0,0|2,0,0]=4 379 B13R1.24 N#CCCOC(=O)C1=CC=CC=C1 Z54336333 [1,1,0,0,0,0|0,0,1]=3 380 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 Z1455806932 [1,1,0,0,0,0|1,0,0]=3 381 B13R1.26 CCCCN(N=O)C1=CC=CC=C1 Z4882196363 [1,1,0,0,0,0|2,0,0]=4 382 B13R1.45 CC(C)CNC(=O)C1=NC=CC=C1 Z32385756 [1,1,0,0,0,0|2,0,0]=4 383 B13R1.45 CC(O)CNC(=O)C1=CN=CC=C1 Z1416282904 [1,1,0,0,0,0|2,0,0]=4 384 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 Z56755624 [1,1,0,0,0,0|2,0,0]=4 385 B13R1.45 C[C@@H](O)CNC(=O)C1=CN=CC=C1 Z1564778137 [1,1,0,0,0,0|2,0,0]=4 386 B13R1.45 NC(=O)COC(=O)C1=CC=CC=C1 Z19825583 [1,1,0,0,0,0|1,0,1]=4 387 B13R1.47 CCCC(N)C(=O)C1=CC=CC=C1 Z1507357367 [1,1,0,0,0,0|1,0,0]=3 388 B13R1.47 CCOC(=O)C(=O)C1=CC=CC=C1 Z94598662 [1,1,0,0,0,0|2,0,0]=4 389 B13R1.122 CCCNS(=O)(=O)C1=CC=CC=C1 Z45545165 [1,1,0,0,0,0|2,0,0]=4 390 B13R1.674 CCCNC(=O)C1=C(C=CC=C1)N Z56347081 [1,1,0,0,0,0|1,0,0]=3 391 B13R1.674 CCCNC(=O)C1=C(C=CC=C1)O Z239152242 [1,1,0,0,0,0|1,0,0]=3 392 B13R1.674 CCCNC(=O)C1=C(N=CC=C1)Cl Z33030446 [1,1,0,0,0,0|2,0,0]=4 393 B13R1.674 CCCOC(=O)C1=C(C=CC=C1)Cl Z53833362 [1,1,0,0,0,0|0,0,0]=2 394 B13R1.674 CCCOC(=O)C1=C(C=CC=C1)O Z53833297 [1,1,0,0,0,0|0,0,0]=2 395 B13R1.674 CCONC(=O)C1=C(C=CC=C1)Br Z193284104 [1,1,0,0,0,0|2,0,0]=4 396 B13R1.674 CCONC(=O)C1=C(C=CC=C1)C Z245505830 [1,1,0,0,0,0|2,0,0]=4 397 B13R1.674 NC1=C(C=CC=C1)C(=O)NCCO Z390185000 [1,1,0,0,0,0|2,0,0]=4 398 B13R1.674 NCCNC(=O)C1=C(C=CC=C1)Cl Z1250132251 [1,1,0,0,0,0|2,0,0]=4 399 B13R1.674 NCCNC(=O)C1=C(C=CC=C1)F Z259720724 [1,1,0,0,0,0|2,0,0]=4 400 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)Br Z409537522 [0,1,0,0,0,1|2,0,0]=4 401 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)F Z44603426 [0,1,0,0,0,1|2,0,0]=4 402 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)I Z409803814 [0,1,0,0,0,1|2,0,0]=4 403 B15R1.111 CC(O)CNC(=O)NC1=CC=C(C=C1)Cl Z124035892 [0,1,0,0,0,1|2,0,0]=4 404 B15R1.111 CC1=CC=C(C=C1)NC(=O)CCC(C)C Z28134179 [0,1,0,0,0,1|2,0,0]=4 405 B15R1.111 CC1=CC=C(C=C1)NC(=O)NCC(C)O Z124035912 [0,1,0,0,0,1|2,0,0]=4 406 B15R1.128 CCC/C=C/C(=O)NC1=CC=C(C=C1)C Z90122355 [0,1,0,0,0,1|2,0,0]=4 407 B15R1.128 CCCCOC(=O)NC1=CC=C(C=C1)C Z55289678 [0,1,0,0,0,1|1,0,0]=3 408 B15R1.128 CCCNCC(=O)NC1=CC=C(C=C1)Cl Z52924042 [0,1,0,0,0,1|2,0,0]=4 409 B15R1.128 CCOCNC(=O)NC1=CC=C(C=C1)Br Z56757263 [0,1,0,0,0,1|2,0,0]=4 410 B15R1.128 COCCNC(=O)CC1=CC=C(C=C1)Cl Z31438277 [0,1,0,0,0,1|2,0,0]=4 411 B15R1.128 COCCNC(=O)CC1=CC=C(C=C1)N Z239124546 [0,1,0,0,0,1|2,0,0]=4 412 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)Br Z409537676 [0,1,0,0,0,1|2,0,0]=4 413 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)C Z44584970 [0,1,0,0,0,1|2,0,0]=4 414 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)Cl Z44584944 [0,1,0,0,0,1|2,0,0]=4 415 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)F Z44584958 [0,1,0,0,0,1|2,0,0]=4 416 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)I Z409803968 [0,1,0,0,0,1|2,0,0]=4 417 B15R1.128 COCCNC(=O)NC1=CC=C(C=C1)N Z275758748 [0,1,0,0,0,1|2,0,0]=4 418 B15R1.128 O=C(CC1=CC=C(C=C1)I)NCCCF Z1851684984 [0,1,0,0,0,1|2,0,0]=4 419 B15R1.128 O=C(NCCCO)NC1=CC=C(C=C1)Br Z409537584 [0,1,0,0,0,1|2,0,0]=4 420 B15R1.128 O=C(NCCCO)NC1=CC=C(C=C1)Cl Z123781608 [0,1,0,0,0,1|2,0,0]=4 421 B15R1.128 O=C(NCCCO)NC1=CC=C(C=C1)I Z409803876 [0,1,0,0,0,1|2,0,0]=4 422 B15R1.981 CCC(C)NC(=O)CC1=CC=C(C=C1)Cl Z31442293 [0,1,0,0,0,1|2,0,0]=4 423 B15R1.981 CCC(C)NC(=O)NC1=CC=C(C=C1)C Z44585042 [0,1,0,0,0,1|2,0,0]=4 424 B15R1.981 CCC(C)NC(=O)NC1=CC=C(C=C1)Cl Z44585016 [0,1,0,0,0,1|2,0,0]=4 425 B15R1.981 CCC(C)NC(=O)NC1=CC=C(C=C1)F Z44585030 [0,1,0,0,0,1|2,0,0]=4 426 B15R1.3908 CCCNC(=O)CC1=CC(=C(C=C1)O)O Z2044770980 [0,1,0,0,0,1|1,0,0]=3 427 B15R1.5927 CCCNC(=O)NC1=C(C=C(C=C1)F)Cl Z44603149 [0,1,0,0,0,1|2,0,0]=4 428 B15R1.5927 CCCOC(=O)CC1=C(N=C(C=C1)Cl)C Z1557080029 [0,1,0,0,0,1|2,0,0]=4 429 B15R1.5929 CCCCC(=O)NC1=CC=C(C=C1)C=O Z1889746439 [0,1,0,0,0,1|1,0,1]=4 430 B15R1.5929 CCCCC(=O)NC1=CN=C(C=C1)OC Z26413952 [0,1,0,0,0,1|2,0,0]=4 431 B15R1.5929 CCCNC(=O)NC1=CC=C(C=C1)OC Z44590045 [0,1,0,0,0,1|1,0,0]=3 432 B15R1.5929 CCCNC(=O)NC1=CC=C(C=C1)SC Z126471410 [0,1,0,0,0,1|1,1,0]=4 433 B15R1.5929 CCCNC(=O)NC1=CN=C(C=C1)OC Z44605957 [0,1,0,0,0,1|2,0,0]=4 434 B15R1.5929 CCNCC(=O)NC1=CC=C(C=C1)OC Z46193755 [0,1,0,0,0,1|2,0,0]=4 435 B15R1.5929 CCONC(=O)CC1=CC=C(C=C1)OC Z245505822 [0,1,0,0,0,1|2,0,0]=4 436 B15R1.23 COCC(C)NC(=O)C1=CC=C(C=C1)Br Z26836882 [0,2,0,0,0,0|2,0,0]=4 437 B15R1.46 CCC(CO)NC(=O)C1=CC=C(C=C1)N Z425723446 [0,2,0,0,0,0|2,0,0]=4 438 B15R1.46 CC[C@H](CO)NC(=O)C1=CC=C(C=C1)I Z1594501758 [0,2,0,0,0,0|2,0,0]=4 439 B15R1.211 C#CC(C)OC(=O)C1=CC=C(C=C1)OC Z1255605186 [0,2,0,0,0,0|0,0,2]=4 440 B15R1.211 CCC(C)NC(=O)C1=CC=C(C=C1)C#N Z31442271 [0,2,0,0,0,0|2,0,0]=4 441 B15R1.211 CCC(C)NC(=O)C1=CC=C(C=C1)CN Z426041560 [0,2,0,0,0,0|2,0,0]=4 442 B15R1.211 CCC(C)NC(=O)C1=CN=C(C=C1)OC Z220733682 [0,2,0,0,0,0|2,0,0]=4 443 B15R1.299 CCC(C)(C)NC(=O)C1=CC=C(C=C1)F Z54128493 [0,2,0,0,0,0|2,0,0]=4 444 B15R1.299 CCC(C)(C)NC(=O)C1=CC=C(C=C1)N Z600428306 [0,2,0,0,0,0|2,0,0]=4 445 B15R1.758 CCC(C)NC(=O)C1=CC(=C(C=C1)N)C Z239124570 [0,2,0,0,0,0|2,0,0]=4 446 B15R1.881 CC(C)C(C)NC(=O)C1=CC=C(C=C1)Cl Z56961389 [0,2,0,0,0,0|2,0,0]=4 447 B15R1.881 CC(C)C(C)NC(=O)C1=CC=C(C=C1)I Z29414626 [0,2,0,0,0,0|2,0,0]=4 448 B15R1.881 CC(OC(=O)C1=CC=C(C=C1)O)C(=O)N Z19674534 [0,2,0,0,0,0|1,0,1]=4 449 B15R1.10256 CCC(C)NC(=O)C1=C(C=C(C=C1)C)C Z31442413 [0,2,0,0,0,0|2,0,0]=4 450 B15R1.10256 CCC(C)NC(=O)C1=C(C=C(C=C1)Cl)F Z108602358 [0,2,0,0,0,0|2,0,0]=4 451 B15R1.10256 CCC(C)NC(=O)C1=C(C=C(C=C1)F)Cl Z31442575 [0,2,0,0,0,0|2,0,0]=4 452 B15R1.30 CCC/C=N/NC(=O)C1=CC=C(C=C1)F Z57157611 [0,2,0,0,0,0|2,0,0]=4 453 B15R1.30 CCC/C=N/NC(=O)C1=CC=C(C=C1)O Z56756945 [0,2,0,0,0,0|1,0,0]=3 454 B15R1.30 CCOCCCC(=O)C1=CC=C(C=C1)F Z447807280 [0,2,0,0,0,0|2,0,0]=4 455 B15R1.30 CCOCCNC(=O)C1=CC=C(C=C1)Br Z432417522 [0,2,0,0,0,0|2,0,0]=4 456 B15R1.30 COCCCNC(=O)C1=CC=C(C=C1)Br Z30233648 [0,2,0,0,0,0|2,0,0]=4 457 B15R1.30 COCCCOC(=O)C1=NC=C(C=C1)Br Z1123439402 [0,2,0,0,0,0|2,0,0]=4 458 B15R1.30 O=C(NCCCCO)C1=CC=C(C=C1)Cl Z1888323218 [0,2,0,0,0,0|2,0,0]=4 459 B15R1.38 CCCCCS(=O)(=O)C1=CC=C(C=C1)O Z1837981616 [0,2,0,0,0,0|2,0,0]=4 460 B15R1.38 CCCCNS(=O)(=O)C1=CC=C(C=C1)O Z381036314 [0,2,0,0,0,0|2,0,0]=4 461 B15R1.132 CNC(=O)COC(=O)C1=CC=C(C=C1)C Z18311562 [0,2,0,0,0,0|1,0,1]=4 462 B15R1.132 CNC(=O)COC(=O)C1=CC=C(C=C1)Cl Z19701474 [0,2,0,0,0,0|1,0,1]=4 463 B15R1.132 CNC(=O)COC(=O)C1=CC=C(C=C1)I Z19776134 [0,2,0,0,0,0|1,0,1]=4 464 B15R1.132 CNC(=O)COC(=O)C1=CC=C(C=C1)O Z19674265 [0,2,0,0,0,0|0,0,1]=3 465 B15R1.882 CC(C)CCNC(=O)C1=CN=C(C=C1)O Z32002810 [0,2,0,0,0,0|2,0,0]=4 466 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)Br Z30277689 [0,2,0,0,0,0|2,0,0]=4 467 B15R1.882 CN(C)CCNC(=O)C1=CC=C(C=C1)N Z239124768 [0,2,0,0,0,0|2,0,0]=4 468 B15R1.1389 CCC1=CC=C(C=C1)C(=O)NCCOC Z31438377 [0,2,0,0,0,0|2,0,0]=4 469 B15R1.1389 CCCCNC(=O)C1=CC=C(C=C1)C#N Z31763551 [0,2,0,0,0,0|2,0,0]=4 470 B15R1.1389 CCCCNC(=O)C1=CC=C(C=C1)CN Z415636648 [0,2,0,0,0,0|2,0,0]=4 471 B15R1.1389 CCCCNC(=O)C1=CC=C(C=C1)OC Z31763388 [0,2,0,0,0,0|1,0,0]=3 472 B15R1.1389 CCCCNC(=O)C1=CN=C(C=C1)OC Z183603898 [0,2,0,0,0,0|2,0,0]=4 473 B15R1.1389 COCCNC(=O)C1=CC=C(C=C1)C#N Z31438255 [0,2,0,0,0,0|2,0,0]=4 474 B15R1.1389 COCCNC(=O)C1=CC=C(C=C1)SC Z51814939 [0,2,0,0,0,0|1,1,0]=4 475 B15R1.1404 CCCCNC(=O)C1=CC(=C(C=C1)O)Cl Z68179024 [0,2,0,0,0,0|1,0,0]=3 476 B15R1.1404 COCCNC(=O)C1=CC(=C(C=C1)C)C Z31438526 [0,2,0,0,0,0|2,0,0]=4 477 B15R1.1404 COCCNC(=O)C1=CC(=C(C=C1)Cl)N Z239124522 [0,2,0,0,0,0|2,0,0]=4 478 B15R1.1404 COCCNC(=O)C1=CC(=C(C=C1)O)Cl Z68107497 [0,2,0,0,0,0|1,0,0]=3 479 B15R1.1404 O=C(NCCCO)C1=CC(=C(C=C1)Cl)Cl Z68225261 [0,2,0,0,0,0|2,0,0]=4 480 B15R1.3309 CCCCCC(=O)C1=C(C=C(C=C1)O)O Z56758832 [0,2,0,0,0,0|1,0,0]=3 481 B15R1.3309 CCCCNC(=O)C1=C(C=C(C=C1)Cl)O Z183600048 [0,2,0,0,0,0|2,0,0]=4 482 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)Br)F Z108623836 [0,2,0,0,0,0|2,0,0]=4 483 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)Br)O Z862270214 [0,2,0,0,0,0|2,0,0]=4 484 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)C)C Z31438397 [0,2,0,0,0,0|2,0,0]=4 485 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)Cl)F Z108624038 [0,2,0,0,0,0|2,0,0]=4 486 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)F)Br Z90705240 [0,2,0,0,0,0|2,0,0]=4 487 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)F)Cl Z31438559 [0,2,0,0,0,0|2,0,0]=4 488 B15R1.3309 COCCNC(=O)C1=C(C=C(C=C1)N)Cl Z594038076 [0,2,0,0,0,0|2,0,0]=4 489 B15R1.3309 O=C(NCCCF)C1=C(C=C(C=C1)O)O Z1633554867 [0,2,0,0,0,0|1,0,0]=3 490 B15R1.3309 O=C(NCCCO)C1=C(C=C(C=C1)I)Cl Z1451540668 [0,2,0,0,0,0|2,0,0]=4 491 B15R1.3943 CCOC(=O)C(=O)C1=CC=C(C=C1)OC Z99601256 [0,2,0,0,0,0|2,0,0]=4 492 B15R1.3956 CCCN(C)C(=O)C1=CC(=C(C=C1)Cl)F Z1552324767 [0,2,0,0,0,0|2,0,0]=4 493 B15R1.5404 CCCNS(=O)(=O)C1=CC=C(C=C1)OC Z45545172 [0,2,0,0,0,0|2,0,0]=4 494 B15R1.5 CC(C)CNC(=O)C1=CC=C(C=C1)C#N Z32386031 [0,2,0,0,0,0|2,0,0]=4 495 B15R1.5 COC1=CC=C(C=C1)C(=O)CCC(C)C Z385418258 [0,2,0,0,0,0|1,0,0]=3 496 B15R1.5 COC1=CC=C(C=C1)C(=O)OCC(=O)N Z19787344 [0,2,0,0,0,0|1,0,1]=4 497 B15R1.889 CC(C)CNC(=O)C1=CC(=C(C=C1)O)Cl Z68275976 [0,2,0,0,0,0|1,0,0]=3 498 B15R1.889 CC1=C(C=CC(=C1)C(=O)NCC(C)C)N Z239124638 [0,2,0,0,0,0|2,0,0]=4 499 B15R1.889 CC1=C(C=CC(=C1)C(=O)NCC(C)O)F Z1098328423 [0,2,0,0,0,0|2,0,0]=4 500 B15R1.889 C[C@@H](O)CNC(=O)C1=CC(=C(C=C1)F)F Z1566429385 [0,2,0,0,0,0|2,0,0]=4 501 B15R1.892 O=C(NCC(F)(F)F)C1=CC=C(C=C1)O Z68679833 [0,2,0,0,0,0|2,0,0]=4 502 B15R1.5822 CC(C)CNC(=O)C1=C(C=C(C=C1)N)Cl Z239124636 [0,2,0,0,0,0|2,0,0]=4 503 B15R1.5822 CC(O)CNC(=O)C1=C(C=C(C=C1)Br)Cl Z448248614 [0,2,0,0,0,0|2,0,0]=4 504 B15R1.5822 CC(O)CNC(=O)C1=C(C=C(C=C1)Br)F Z352704742 [0,2,0,0,0,0|2,0,0]=4 505 B15R1.5822 CC1=C(C=CC(=C1)Br)C(=O)NCC(C)O Z444299230 [0,2,0,0,0,0|2,0,0]=4 506 B15R1.5822 CC1=CC(=C(C=C1)C(=O)NCC(C)C)C Z32386173 [0,2,0,0,0,0|2,0,0]=4 507 B15R1.5822 CC1=CC(=C(C=C1)C(=O)NCC(C)O)C Z68385404 [0,2,0,0,0,0|2,0,0]=4 508 B15R1.1222 CCCNC(=O)C1=CC=C(C=C1)N(C)C Z33030616 [0,2,0,0,0,0|2,0,0]=4 509 B15R1.1222 CCCOC(=O)C1=CC=C(C=C1)C(=O)N Z215086810 [0,2,0,0,0,0|0,0,1]=3 510 B15R1.1245 CCONC(=O)C1=CC(=C(C=C1)OC)Br Z193288432 [0,2,0,0,0,0|2,0,0]=4 511 B15R1.1245 CCONC(=O)C1=CC(=C(C=C1)OC)F Z193288258 [0,2,0,0,0,0|2,0,0]=4 512 B15R1.2314 CCONC(=O)C1=C(C=C(C=C1)OC)O Z254323638 [0,2,0,0,0,0|2,0,0]=4 513 B13R2.12 OC1=CC=C(C=C1)C2CCCN2 Z803145548 [1,0,0,1,0,0|1,0,1]=4 514 B13R2.12 OC1=CC=C(C=C1)N2CCCC2 Z1198154196 [1,0,0,1,0,0|2,0,0]=4 515 B13R2.527 OC1=CC=C(C=C1)CNC2CC2 Z425809384 [1,0,0,1,0,0|1,0,1]=4 516 B13R2.527 OC1=CC=C(C=C1)OCC2CC2 Z431958964 [1,0,0,1,0,0|2,0,0]=4 517 B13R2.1069 OC1=CC=C(C=C1)CC2CCC2 Z1513872159 [1,0,0,1,0,0|1,0,1]=4 518 B13R2.1069 OC1=CC=C(C=C1)OC2CCC2 Z2515400422 [1,0,0,1,0,0|2,0,0]=4 519 B13R2.3729 OC1=CC2=C(C=C1)CCCCC2 Z1513804380 [1,0,0,1,0,0|1,0,1]=4 520 B13R2.3729 OC1=CC2=C(C=C1)NCCCC2 Z2943582595 [1,0,0,1,0,0|2,0,0]=4 521 B13R2.520 CC1=CC=C(C=C1)C(=O)C2CC2 Z99599706 [1,0,0,1,0,0|1,0,0]=3 522 B13R2.520 NC1=CC=C(C=C1)C(=O)C2CC2 Z2429426254 [1,0,0,1,0,0|1,0,0]=3 523 B13R2.520 O=C(C1=CC=C(C=C1)Br)C2CC2 Z385417650 [1,0,0,1,0,0|1,0,0]=3 524 B13R2.520 O=C(C1=CC=C(C=C1)F)C2CC2 Z361989374 [1,0,0,1,0,0|1,0,0]=3 525 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCC2 Z968852624 [1,0,0,1,0,0|1,0,0]=3 526 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 Z1198280382 [1,0,0,1,0,0|2,0,0]=4 527 B13R2.5179 NC1=NC2=C(C=C1)C(=O)CCC2 Z1198334034 [1,0,0,1,0,0|2,0,0]=4 528 B13R2.5179 NC1CCCC2=C1C=CC(=C2)O Z2867491070 [1,0,0,1,0,0|1,0,1]=4 529 B13R2.5179 O=C1C=C2CCCC(=O)C2=CN1 Z1255464911 [1,0,0,1,0,0|1,0,1]=4 530 B13R2.5179 O=C1C=CC2=C(N1)CCCC2=O Z57107743 [1,0,0,1,0,0|1,0,1]=4 531 B13R2.5179 O=C1C=CC2=C(O1)CCCC2=O Z56766426 [1,0,0,1,0,0|1,0,1]=4 532 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)F Z1198183228 [1,0,0,1,0,0|1,0,0]=3 533 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)O Z877546758 [1,0,0,1,0,0|0,0,0]=2 534 B13R2.5179 O=C1CCCC2=C1C=CC(=N2)Cl Z1198181042 [1,0,0,1,0,0|2,0,0]=4 535 B13R2.5179 O=C1CCCC2=CC(=NC=C12)Cl Z1255441743 [1,0,0,1,0,0|2,0,0]=4 536 B13R2.5179 O=C1CCOC2=C1C=CC(=C2)Cl Z1198222022 [1,0,0,1,0,0|2,0,0]=4 537 B13R2.5179 O=C1CCOC2=C1C=CC(=C2)O Z1198180631 [1,0,0,1,0,0|1,0,0]=3 538 B13R2.5179 O=C1COCC2=C1C=CC(=C2)Br Z1269218551 [1,0,0,1,0,0|2,0,0]=4 539 B13R2.5179 O=C1COCC2=C1C=CC(=C2)Cl Z1255365577 [1,0,0,1,0,0|2,0,0]=4 540 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)Br Z1192379518 [1,0,0,1,0,0|2,0,0]=4 541 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)Cl Z1198164329 [1,0,0,1,0,0|2,0,0]=4 542 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)F Z1198164327 [1,0,0,1,0,0|2,0,0]=4 543 B13R2.5179 O=C1NCCC2=C1C=CC(=C2)O Z1198175558 [1,0,0,1,0,0|1,0,0]=3 544 B13R2.5179 O=C1OCCC2=C1C=CC(=C2)Br Z1269190773 [1,0,0,1,0,0|1,0,0]=3 545 B13R2.5187 O=C1CC(=O)C2=C1C=CC(=C2)O Z1513687373 [1,0,0,1,0,0|1,0,1]=4 546 B13R2.3 C1=CC=C(C=C1)C2=NCCCN2 Z57932430 [1,0,0,1,0,0|2,0,0]=4 547 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 Z1255449974 [1,0,0,1,0,0|1,0,0]=3 548 B13R2.371 NC1CCC(=O)C2=C1C=CC=C2 Z1443588580 [1,0,0,1,0,0|2,0,0]=4 549 B13R2.690 Cl/C(=N/C1CC1)/C2=CC=CC=C2 Z104378176 [1,0,0,1,0,0|2,0,0]=4 550 B13R2.690 O=C(CC1CC1)C2=CC=CC=C2 Z826523958 [1,0,0,1,0,0|1,0,0]=3 551 B13R2.690 O=C(NC1CC1)C2=NC=CC=C2 Z32367684 [1,0,0,1,0,0|2,0,0]=4 552 B13R2.2931 NCC1NC(=O)C2=C1C=CC=C2 Z3327074187 [1,0,0,1,0,0|2,0,0]=4 553 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 Z56922160 [1,0,0,1,0,0|1,0,0]=3 554 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 Z382721394 [1,0,0,1,0,0|2,0,0]=4 555 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 Z384973676 [1,0,0,1,0,0|2,0,0]=4 556 B13R2.5252 O=C1CSCCC2=C1C=CC=C2 Z1407045833 [1,0,0,1,0,0|2,0,0]=4 557 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 Z1201622867 [1,0,0,1,0,0|1,0,0]=3 558 B13R2.5252 O=C1NCCOC2=C1C=CC=C2 Z234898083 [1,0,0,1,0,0|2,0,0]=4 559 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 Z1255372525 [1,0,0,1,0,0|2,0,0]=4 560 B13R2.5252 OB1OCCCC2=C1C=CC=C2 Z4918189532 [1,0,0,1,0,0|1,0,1]=4 561 B13R2.8137 O=C(C1=CC=NC=C1)N2CCC2 Z102876376 [1,0,0,1,0,0|2,0,0]=4 562 B13R2.8137 O=C(C1=CN=CC=C1)C2CCC2 Z1255407329 [1,0,0,1,0,0|2,0,0]=4 563 B13R2.8137 O=C(C1=CN=CC=C1)N2CCC2 Z102876378 [1,0,0,1,0,0|2,0,0]=4 564 B15R2.308 O=C1CCCCN1C2=CC=C(C=C2)Br Z118333674 [0,0,0,1,0,1|2,0,0]=4 565 B15R2.308 O=C1CCCCN1C2=CC=C(C=C2)O Z1198223349 [0,0,0,1,0,1|1,0,0]=3 566 B15R2.1546 CC1CC1C(=O)NC2=CC=C(C=C2)Cl Z28161922 [0,0,0,1,0,1|2,0,0]=4 567 B15R2.1546 CC1CC1C(=O)NC2=CC=C(C=C2)F Z27806013 [0,0,0,1,0,1|2,0,0]=4 568 B15R2.1546 C[C@@H]1O[C@H]1C(=O)NC2=CC=C(C=C2)O Z4310775277 [0,0,0,1,0,1|2,0,0]=4 569 B15R2.18927 CC1=CC=C(C=C1)CC(=O)NC2CC2 Z100741314 [0,0,0,1,0,1|2,0,0]=4 570 B15R2.18927 CC1=CC=C(C=C1)NC(=O)NC2CC2 Z44603222 [0,0,0,1,0,1|2,0,0]=4 571 B15R2.18927 NC1=CC=C(C=C1)NC(=O)NC2CC2 Z275032062 [0,0,0,1,0,1|2,0,0]=4 572 B15R2.18927 O=C(CC1=CC=C(C=C1)Br)NC2CC2 Z30841186 [0,0,0,1,0,1|2,0,0]=4 573 B15R2.18927 O=C(CC1=CC=C(C=C1)Cl)NC2CC2 Z32367981 [0,0,0,1,0,1|2,0,0]=4 574 B15R2.18927 O=C(CC1=CC=C(C=C1)F)NC2CC2 Z32368059 [0,0,0,1,0,1|2,0,0]=4 575 B15R2.18927 O=C(NC1=CC=C(C=C1)F)NC2CC2 Z44603210 [0,0,0,1,0,1|2,0,0]=4 576 B15R2.19013 O=S1(=NC2=CC=C(C=C2)O)CCCC1 Z2379203302 [0,0,0,1,0,1|2,0,0]=4 577 B15R2.19022 O=C(CC1=CC=C(C=C1)F)N2CCC2 Z69031721 [0,0,0,1,0,1|2,0,0]=4 578 B15R2.19022 O=C(NC1=CC=C(C=C1)Cl)C2CCC2 Z28161859 [0,0,0,1,0,1|2,0,0]=4 579 B15R2.19022 O=C(NC1=CC=C(C=C1)I)C2CCC2 Z30316503 [0,0,0,1,0,1|2,0,0]=4 580 B15R2.91 CC1=CC=C(C=C1)C(=O)C2CCCC2 Z385421358 [0,1,0,1,0,0|2,0,0]=4 581 B15R2.91 CC1=CC=C(C=C1)C(=O)N2CCSC2 Z1127208023 [0,1,0,1,0,0|2,0,0]=4 582 B15R2.91 NC1=CC=C(C=C1)C(=O)N2CCCC2 Z239124088 [0,1,0,1,0,0|2,0,0]=4 583 B15R2.91 O=C(C1=CC=C(C=C1)Br)C2CCCO2 Z385417596 [0,1,0,1,0,0|1,0,0]=3 584 B15R2.91 O=C(C1=CC=C(C=C1)Br)N2CCCC2 Z27753723 [0,1,0,1,0,0|2,0,0]=4 585 B15R2.91 O=C(C1=CC=C(C=C1)Cl)C2CCCC2 Z385417354 [0,1,0,1,0,0|2,0,0]=4 586 B15R2.91 O=C(C1=CC=C(C=C1)Cl)N2CCCC2 Z31480230 [0,1,0,1,0,0|2,0,0]=4 587 B15R2.91 O=C(C1=CC=C(C=C1)F)C2CCCC2 Z385412886 [0,1,0,1,0,0|2,0,0]=4 588 B15R2.91 O=C(C1=CC=C(C=C1)F)N2CCCC2 Z31480227 [0,1,0,1,0,0|2,0,0]=4 589 B15R2.91 O=C(C1=CC=C(C=C1)I)C2CCCO2 Z385416520 [0,1,0,1,0,0|1,0,0]=3 590 B15R2.91 O=C(C1=CC=C(C=C1)O)C2CCCN2 Z4320607413 [0,1,0,1,0,0|1,0,0]=3 591 B15R2.91 O=C(C1=CC=C(C=C1)O)N2CCCC2 Z68129365 [0,1,0,1,0,0|1,0,0]=3 592 B15R2.6983 CC1=CC=C(C=C1)C(=O)NCC2CC2 Z275845352 [0,1,0,1,0,0|2,0,0]=4 593 B15R2.6983 NC1=CC=C(C=C1)C(=O)NCC2CC2 Z239125414 [0,1,0,1,0,0|2,0,0]=4 594 B15R2.6983 O=C(NCC1CC1)C2=CC=C(C=C2)Br Z288770974 [0,1,0,1,0,0|2,0,0]=4 595 B15R2.6983 O=C(NCC1CC1)C2=CC=C(C=C2)Cl Z275845242 [0,1,0,1,0,0|2,0,0]=4 596 B15R2.6983 O=C(NCC1CC1)C2=CC=C(C=C2)F Z275845234 [0,1,0,1,0,0|2,0,0]=4 597 B15R2.6983 O=C(OCC1CC1)C2=CN=C(C=C2)F Z1902310121 [0,1,0,1,0,0|2,0,0]=4 598 B15R2.18962 NC1(CCC1)C(=O)C2=CC=C(C=C2)Cl Z3244519262 [0,1,0,1,0,0|2,0,0]=4 599 B15R2.447 COC1=CC=C(C=C1)C(=O)NC2CC2 Z32367796 [0,1,0,1,0,0|1,0,0]=3 600 B15R2.447 CSC1=CC=C(C=C1)C(=O)NC2CC2 Z52020671 [0,1,0,1,0,0|1,1,0]=4 601 B15R2.447 N#CC1=CC=C(C=C1)C(=O)NC2CC2 Z32367959 [0,1,0,1,0,0|2,0,0]=4 602 B15R2.447 NCC1=CC=C(C=C1)C(=O)NC2CC2 Z823287460 [0,1,0,1,0,0|2,0,0]=4 603 B15R2.447 O=CC1=CC=C(C=C1)C(=O)NC2CC2 Z235361327 [0,1,0,1,0,0|1,0,1]=4 604 B15R2.7890 COC1=CC=C(C=C1)C(=O)N2CCC2 Z102876386 [0,1,0,1,0,0|1,0,0]=3 605 B15R2.7890 N#CC1=CC=C(C=C1)C(=O)N2CCC2 Z69031740 [0,1,0,1,0,0|2,0,0]=4 606 B15R2.22338 COC1=CC2=C(C=C1)C(=O)CCCO2 Z1251356564 [0,1,0,1,0,0|2,0,0]=4 607 B15R2.22338 COC1=CC2=C(C=C1)C(=O)NCCO2 Z1504680914 [0,1,0,1,0,0|2,0,0]=4 608 B15R2.22338 N#CC1=CC2=C(C=C1)C(=O)CCCC2 Z1946004483 [0,1,0,1,0,0|2,0,0]=4 609 B15R2.18898 CC1=C(C=C(C=C1)C(=O)NC2CC2)F Z116525604 [0,1,0,1,0,0|2,0,0]=4 610 B15R2.18898 CC1=C(C=C(C=C1)C(=O)NC2CC2)N Z239124620 [0,1,0,1,0,0|2,0,0]=4 611 B15R2.18898 CC1=C(C=CC(=C1)C(=O)NC2CC2)I Z1118969701 [0,1,0,1,0,0|2,0,0]=4 612 B15R2.18898 O=C(NC1CC1)C2=CC(=C(C=C2)Cl)Br Z1505719480 [0,1,0,1,0,0|2,0,0]=4 613 B15R2.18898 O=C(NC1CC1)C2=CC(=C(C=C2)O)Cl Z68307268 [0,1,0,1,0,0|1,0,0]=3 614 B15R2.19038 CC1=C(C=C(C=C1)C(=O)N2CCC2)F Z117073070 [0,1,0,1,0,0|2,0,0]=4 615 B15R2.19038 CC1=C(C=CC(=C1)C(=O)N2CCC2)Cl Z1413828475 [0,1,0,1,0,0|2,0,0]=4 616 B15R2.19038 O=C(C1=CC(=C(C=C1)Cl)Br)N2CCC2 Z1505730517 [0,1,0,1,0,0|2,0,0]=4 617 B15R2.19038 O=C(C1=CC(=C(C=C1)O)Cl)N2CCC2 Z69032471 [0,1,0,1,0,0|1,0,0]=3 618 B15R2.7543 CC1=CC(=C(C=C1)C(=O)NC2CC2)C Z32368101 [0,1,0,1,0,0|2,0,0]=4 619 B15R2.7543 CC1=CC(=C(C=C1)C(=O)NC2CC2)O Z68307252 [0,1,0,1,0,0|2,0,0]=4 620 B15R2.7543 NC1=CC(=C(C=C1)C(=O)NC2CC2)Cl Z239124602 [0,1,0,1,0,0|2,0,0]=4 621 B15R2.7543 O=C(NC1CC1)C2=C(C=C(C=C2)Br)F Z108823762 [0,1,0,1,0,0|2,0,0]=4 622 B15R2.7543 O=C(NC1CC1)C2=C(C=C(C=C2)Cl)Cl Z32367800 [0,1,0,1,0,0|2,0,0]=4 623 B15R2.7543 O=C(NC1CC1)C2=C(C=C(C=C2)Cl)F Z108823936 [0,1,0,1,0,0|2,0,0]=4 624 B15R2.7543 O=C(NC1CC1)C2=C(C=C(C=C2)Cl)O Z183415760 [0,1,0,1,0,0|2,0,0]=4 625 B15R2.7543 O=C(NC1CC1)C2=C(C=C(C=C2)F)Cl Z32368263 [0,1,0,1,0,0|2,0,0]=4 626 B15R2.65869 CC1=CC(=C(C=C1)C(=O)N2CCC2)C Z69031762 [0,1,0,1,0,0|2,0,0]=4 627 B15R2.65869 CC1=CC(=C(C=C1)C(=O)N2CCC2)O Z69032455 [0,1,0,1,0,0|2,0,0]=4 628 B15R2.65869 O=C(C1=C(C=C(C=C1)Cl)Br)N2CCC2 Z1419111561 [0,1,0,1,0,0|2,0,0]=4 629 B11R1.15 CCOC(=O)C1=CC(=CN1)Br Z283387614 [1,0,0,0,1,0|2,0,0]=4 630 B11R1.15 CCOC(=O)C1=CC(=CN1)F Z1255392371 [1,0,0,0,1,0|2,0,0]=4 631 B11R1.15 CCOC(=O)C1=CC(=CN1)N Z1295580423 [1,0,0,0,1,0|2,0,0]=4 632 B11R1.15 CCOC(=O)C1=CC=C(N1)Br Z1269164038 [1,0,0,0,1,0|2,0,0]=4 633 B11R1.15 CCOC(=O)C1=CC=C(O1)Cl Z292566016 [1,0,0,0,1,0|2,0,0]=4 634 B11R1.15 CCOC(=O)C1=CN(C=C1)C Z1198315028 [1,0,0,0,1,0|2,0,0]=4 635 B11R1.15 CCOC(=O)C1=CNC(=C1)C Z1255391095 [1,0,0,0,1,0|2,0,0]=4 636 B11R1.15 CCOC(=O)C1=COC(=C1)C Z1255385163 [1,0,0,0,1,0|2,0,0]=4 637 B11R1.15 CCOC(=O)C1=CSC(=N1)O Z1255367240 [1,0,0,0,1,0|2,0,0]=4 638 B11R1.15 CCOC(=O)C1=NNC(=C1)O Z1198219309 [1,0,0,0,1,0|2,0,0]=4 639 B11R1.29 CCCNC(=O)C1=CC=CO1 Z33030415 [1,0,0,0,1,0|2,0,0]=4 640 B11R1.29 CCCNC(=O)C1=CC=CS1 Z33030702 [1,0,0,0,1,0|2,0,0]=4 641 B11R1.29 CCCNC(=O)C1=COC=C1 Z166866462 [1,0,0,0,1,0|2,0,0]=4 642 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 Z44586337 [1,0,0,0,0,1|1,0,0]=3 643 B13R1.44 CCNCC(=O)NC1=CC=CC=C1 Z1457920782 [1,0,0,0,0,1|2,0,0]=4 644 B13R1.44 NCCCC(=O)NC1=CC=CC=C1 Z1449746694 [1,0,0,0,0,1|2,0,0]=4 645 B13R1.44 NCCNC(=O)CC1=CC=CC=C1 Z285226374 [1,0,0,0,0,1|2,0,0]=4 646 B13R1.44 O=C(NCCO)OC1=CC=CC=C1 Z31725824 [1,0,0,0,0,1|2,0,0]=4 647 B15R1.139 CCCNC(=O)/C=C/C1=CC=C(C=C1)F Z33030769 [0,0,0,0,0,2|2,0,0]=4 648 B15R1.139 CCCNC(=O)CCC1=CC=C(C=C1)C Z192605382 [0,0,0,0,0,2|2,0,0]=4 649 B15R1.139 CCCNC(=O)CSC1=CC=C(C=C1)F Z16034325 [0,0,0,0,0,2|2,0,0]=4 650 B15R1.139 CCCNC(=O)CSC1=CC=C(C=C1)O Z733875534 [0,0,0,0,0,2|1,0,0]=3 651 B15R1.139 CCCNC(=O)NCC1=CC=C(C=C1)C Z44616613 [0,0,0,0,0,2|2,0,0]=4 652 B15R1.139 CCCNC(=O)NCC1=CC=C(C=C1)Cl Z44585257 [0,0,0,0,0,2|2,0,0]=4 653 B15R1.139 CCCNC(=O)NNC1=CC=C(C=C1)F Z44603545 [0,0,0,0,0,2|2,0,0]=4