0 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.28 C#CCNCC1=CN=CC=C1 Z90560634 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [0,0,0,0,0,0|2,0,1]=3 5 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [0,0,0,0,0,0|1,0,0]=1 6 B11R1.28 CCCCNC1=CC=NC=C1 Z359299136 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.28 CCCCNC1=NC=CN=C1 Z31215149 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [0,0,0,0,0,0|2,0,0]=2 9 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [0,0,0,0,0,0|3,0,0]=3 11 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [0,0,0,0,0,0|3,0,0]=3 12 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [0,0,0,0,0,0|2,0,0]=2 13 B11R1.28 CCNCCC1=NC=CC=C1 Z138534138 [0,0,0,0,0,0|3,0,0]=3 14 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [0,0,0,0,0,0|2,0,0]=2 15 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [0,0,0,0,0,0|2,0,0]=2 16 B11R1.28 CNCCNC1=NC=CC=C1 Z3033960688 [0,0,0,0,0,0|4,0,0]=4 17 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [0,0,0,0,0,0|3,0,0]=3 18 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [0,0,0,0,0,0|3,0,0]=3 19 B11R1.28 COCCNC1=CC=NC=C1 Z359297138 [0,0,0,0,0,0|4,0,0]=4 20 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [0,0,0,0,0,0|1,0,2]=3 23 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [0,0,0,0,0,0|1,0,2]=3 24 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [0,0,0,0,0,0|1,0,2]=3 25 B11R1.28 N#CCNCC1=NC=CC=C1 Z111725574 [0,0,0,0,0,0|2,0,2]=4 26 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [0,0,0,0,0,0|1,0,2]=3 27 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [0,0,0,0,0,0|1,0,2]=3 28 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [0,0,0,0,0,0|0,0,0]=0 29 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [0,0,0,0,0,0|1,0,0]=1 30 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [0,0,0,0,0,0|1,0,0]=1 31 B11R1.28 NCCCNC1=CC=NC=C1 Z317257864 [0,0,0,0,0,0|2,0,0]=2 32 B11R1.28 NCCCNC1=NC=CC=C1 Z234895141 [0,0,0,0,0,0|2,0,0]=2 33 B11R1.28 NCCCNC1=NC=CC=N1 Z444311056 [0,0,0,0,0,0|3,0,0]=3 34 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [0,0,0,0,0,0|1,0,0]=1 35 B11R1.28 NCCCOC1=CC=NC=C1 Z976694292 [0,0,0,0,0,0|2,0,0]=2 36 B11R1.28 NCCCOC1=NC=CC=N1 Z2467687631 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [0,0,0,0,0,0|1,0,0]=1 38 B11R1.28 NCCCSC1=NC=CC=C1 Z2028214397 [0,0,0,0,0,0|2,0,0]=2 39 B11R1.28 NCCNCC1=NC=CC=C1 Z600492946 [0,0,0,0,0,0|2,0,0]=2 40 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [0,0,0,0,0,0|1,0,0]=1 41 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [0,0,0,0,0,0|1,0,1]=2 42 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [0,0,0,0,0,0|2,0,1]=3 43 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [0,0,0,0,0,0|2,0,1]=3 44 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [0,0,0,0,0,0|2,0,0]=2 45 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [0,0,0,0,0,0|3,0,0]=3 47 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [0,0,0,0,0,0|2,0,0]=2 48 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [0,0,0,0,0,0|3,0,0]=3 49 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [0,0,0,0,0,0|2,0,0]=2 50 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [0,0,0,0,0,0|2,0,1]=3 51 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [1,0,0,0,0,0|2,0,0]=3 52 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [1,0,0,0,0,0|0,0,0]=1 53 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [1,0,0,0,0,0|2,0,0]=3 54 B10R1.17 CCCOC1=NC=CN=C1 Z2182020100 [1,0,0,0,0,0|3,0,0]=4 55 B10R1.17 CCCSC1=NC=CC=N1 Z18380759 [1,0,0,0,0,0|3,0,0]=4 56 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [1,0,0,0,0,0|1,0,0]=2 57 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [1,0,0,0,0,0|2,0,0]=3 58 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [1,0,0,0,0,0|2,0,0]=3 59 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [1,0,0,0,0,0|1,0,0]=2 61 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [1,0,0,0,0,0|2,0,0]=3 62 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [1,0,0,0,0,0|2,0,0]=3 63 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [1,0,0,0,0,0|2,0,0]=3 64 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [1,0,0,0,0,0|3,0,0]=4 65 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [1,0,0,0,0,0|1,0,0]=2 66 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [1,0,0,0,0,0|0,0,2]=3 67 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [1,0,0,0,0,0|1,0,2]=4 68 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [1,0,0,0,0,0|1,0,2]=4 69 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [1,0,0,0,0,0|1,0,2]=4 70 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [1,0,0,0,0,0|0,0,2]=3 71 B10R1.17 NC/C=C/C1=CN=CC=C1 Z2216303151 [1,0,0,0,0,0|1,0,2]=4 72 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [1,0,0,0,0,0|0,0,2]=3 73 B10R1.17 NCC#CC1=NC=CC=C1 Z1456201642 [1,0,0,0,0,0|1,0,2]=4 74 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [1,0,0,0,0,0|0,0,0]=1 75 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [1,0,0,0,0,0|1,0,0]=2 76 B10R1.17 NCCCC1=CN=NC=C1 Z3270187722 [1,0,0,0,0,0|2,0,0]=3 77 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [1,0,0,0,0,0|1,0,0]=2 78 B10R1.17 NCCCC1=NC=CN=C1 Z1474025943 [1,0,0,0,0,0|2,0,0]=3 79 B10R1.17 NCCNC1=CC=NC=C1 Z317257862 [1,0,0,0,0,0|2,0,0]=3 80 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [1,0,0,0,0,0|2,0,0]=3 81 B10R1.17 NCCNC1=NC=CC=N1 Z381428982 [1,0,0,0,0,0|3,0,0]=4 82 B10R1.17 NCCNC1=NN=CC=C1 Z991530796 [1,0,0,0,0,0|3,0,0]=4 83 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [1,0,0,0,0,0|1,0,0]=2 84 B10R1.17 NCCOC1=CC=NC=C1 Z3243651499 [1,0,0,0,0,0|2,0,0]=3 85 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [1,0,0,0,0,0|2,0,0]=3 86 B10R1.17 NCCOC1=NC=CC=N1 Z4381809298 [1,0,0,0,0,0|3,0,0]=4 87 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [1,0,0,0,0,0|1,0,0]=2 88 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [1,0,0,0,0,0|1,0,0]=2 89 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [1,0,0,0,0,0|1,0,1]=3 90 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [1,0,0,0,0,0|2,0,1]=4 91 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [1,0,0,0,0,0|2,0,1]=4 92 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [1,0,0,0,0,0|2,0,1]=4 93 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [1,0,0,0,0,0|2,0,1]=4 94 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [1,0,0,0,0,0|2,0,1]=4 95 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [1,0,0,0,0,0|1,0,2]=4 96 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [1,0,0,0,0,0|1,0,0]=2 97 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [1,0,0,0,0,0|2,0,0]=3 98 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [1,0,0,0,0,0|2,0,0]=3 99 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [1,0,0,0,0,0|3,0,0]=4 100 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [1,0,0,0,0,0|3,0,0]=4 101 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [1,0,0,0,0,0|3,0,0]=4 102 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [1,0,0,0,0,0|2,0,0]=3 103 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [1,0,0,0,0,0|3,0,0]=4 104 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [1,0,0,0,0,0|2,0,0]=3 105 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [1,0,0,0,0,0|2,0,1]=4 106 B12R1.1 C#CCNCC1=CC=C(C=C1)C Z857666950 [0,1,0,0,0,0|2,0,1]=4 107 B12R1.1 C#CCNCC1=CC=C(C=C1)F Z951367660 [0,1,0,0,0,0|2,0,1]=4 108 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [0,1,0,0,0,0|2,0,0]=3 109 B12R1.1 CC1=CC=C(C=C1)NCCC#N Z56887629 [0,1,0,0,0,0|1,0,2]=4 110 B12R1.1 CC1=CC=C(C=C1)OCCC#N Z54337098 [0,1,0,0,0,0|1,0,2]=4 111 B12R1.1 CC1=CC=C(C=C1)OCCCN Z285166764 [0,1,0,0,0,0|1,0,0]=2 112 B12R1.1 CC1=CC=C(C=C1)SCCC#N Z54555980 [0,1,0,0,0,0|1,0,2]=4 113 B12R1.1 CC1=CN=C(C=C1)NCCCN Z1267881688 [0,1,0,0,0,0|2,0,0]=3 114 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [0,1,0,0,0,0|2,0,0]=3 115 B12R1.1 CCCCOC1=NC=C(C=C1)N Z409191158 [0,1,0,0,0,0|3,0,0]=4 116 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [0,1,0,0,0,0|2,0,0]=3 117 B12R1.1 CNCCOC1=CC=C(C=C1)Br Z55993065 [0,1,0,0,0,0|3,0,0]=4 118 B12R1.1 CNCCOC1=CC=C(C=C1)C Z138105388 [0,1,0,0,0,0|3,0,0]=4 119 B12R1.1 CNCCOC1=CC=C(C=C1)Cl Z56963344 [0,1,0,0,0,0|3,0,0]=4 120 B12R1.1 CNCCOC1=CC=C(C=C1)F Z138105420 [0,1,0,0,0,0|3,0,0]=4 121 B12R1.1 CNCCOC1=CC=C(C=C1)O Z1209979801 [0,1,0,0,0,0|3,0,0]=4 122 B12R1.1 COCCNC1=CC=C(C=C1)N Z812516870 [0,1,0,0,0,0|3,0,0]=4 123 B12R1.1 COCCOC1=CC=C(C=C1)Br Z167838728 [0,1,0,0,0,0|3,0,0]=4 124 B12R1.1 COCCOC1=CC=C(C=C1)F Z285938284 [0,1,0,0,0,0|3,0,0]=4 125 B12R1.1 COCCOC1=CC=C(C=C1)O Z381414750 [0,1,0,0,0,0|3,0,0]=4 126 B12R1.1 COCCOC1=CC=C(C=C1)S Z1689885585 [0,1,0,0,0,0|3,0,0]=4 127 B12R1.1 COCCSC1=CC=C(C=C1)N Z412014166 [0,1,0,0,0,0|3,0,0]=4 128 B12R1.1 CSCCOC1=CC=C(C=C1)I Z54518503 [0,1,0,0,0,0|3,0,0]=4 129 B12R1.1 ClC1=CC=C(C=C1)OCCCBr Z90122426 [0,1,0,0,0,0|2,0,0]=3 130 B12R1.1 FC1=CC=C(C=C1)OCCCBr Z90122147 [0,1,0,0,0,0|2,0,0]=3 131 B12R1.1 FC1=CC=C(C=C1)OCCCCl Z56347250 [0,1,0,0,0,0|2,0,0]=3 132 B12R1.1 N#CCCNC1=CC=C(C=C1)Br Z56855204 [0,1,0,0,0,0|1,0,2]=4 133 B12R1.1 N#CCCNC1=CC=C(C=C1)Cl Z56938006 [0,1,0,0,0,0|1,0,2]=4 134 B12R1.1 N#CCCNC1=CC=C(C=C1)F Z56813500 [0,1,0,0,0,0|1,0,2]=4 135 B12R1.1 N#CCCOC1=CC=C(C=C1)Br Z54336945 [0,1,0,0,0,0|1,0,2]=4 136 B12R1.1 N#CCCOC1=CC=C(C=C1)F Z54337110 [0,1,0,0,0,0|1,0,2]=4 137 B12R1.1 N#CCCSC1=CC=C(C=C1)F Z54340130 [0,1,0,0,0,0|1,0,2]=4 138 B12R1.1 N#CCSCC1=CC=C(C=C1)Cl Z18433100 [0,1,0,0,0,0|1,0,2]=4 139 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [0,1,0,0,0,0|1,0,0]=2 140 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [0,1,0,0,0,0|2,0,0]=3 141 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.1 NC1=CC=C(C=C1)SCCCO Z412012390 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.1 NCC/C=C/C1=CC=C(C=C1)Br Z2651620817 [0,1,0,0,0,0|0,0,2]=3 144 B12R1.1 NCCCCC1=CC=C(C=C1)Br Z5880376049 [0,1,0,0,0,0|0,0,0]=1 145 B12R1.1 NCCCCC1=CC=C(C=C1)Cl Z3234944947 [0,1,0,0,0,0|0,0,0]=1 146 B12R1.1 NCCCOC1=CC=C(C=C1)F Z271006096 [0,1,0,0,0,0|1,0,0]=2 147 B12R1.1 NCCCSC1=CC=C(C=C1)F Z56988241 [0,1,0,0,0,0|1,0,0]=2 148 B12R1.1 NCCOCC1=CC=C(C=C1)Cl Z1511495255 [0,1,0,0,0,0|1,0,0]=2 149 B12R1.1 NCCSCC1=CC=C(C=C1)Cl Z1891773800 [0,1,0,0,0,0|1,0,0]=2 150 B12R1.1 NCCSCC1=CN=C(C=C1)Cl Z406685558 [0,1,0,0,0,0|2,0,0]=3 151 B12R1.1 NNCCOC1=CC=C(C=C1)Cl Z94597880 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.1 OCCCNC1=CC=C(C=C1)Cl Z104647680 [0,1,0,0,0,0|2,0,0]=3 153 B12R1.1 OCCCOC1=CC=C(C=C1)Br Z425795726 [0,1,0,0,0,0|2,0,0]=3 154 B12R1.1 OCCCOC1=CC=C(C=C1)F Z228585902 [0,1,0,0,0,0|2,0,0]=3 155 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.8 C#CCNOCC1=CC=CC=C1 Z1251328742 [0,1,0,0,0,0|2,0,1]=4 157 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [0,1,0,0,0,0|1,0,1]=3 158 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [0,1,0,0,0,0|1,0,0]=2 159 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [0,1,0,0,0,0|1,0,0]=2 160 B12R1.8 CCCNCCC1=NC=CC=C1 Z53110779 [0,1,0,0,0,0|2,0,0]=3 161 B12R1.8 CCOCCNC1=CC=CC=C1 Z5256735719 [0,1,0,0,0,0|2,0,0]=3 162 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [0,1,0,0,0,0|0,0,0]=1 163 B12R1.8 CNCCCNC1=CC=CC=C1 Z852438504 [0,1,0,0,0,0|1,0,0]=2 164 B12R1.8 CNCCCOC1=CC=CC=C1 Z163881564 [0,1,0,0,0,0|1,0,0]=2 165 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [0,1,0,0,0,0|1,0,0]=2 166 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [0,1,0,0,0,0|2,0,0]=3 167 B12R1.8 COCCNCC1=CN=CC=C1 Z90501855 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.8 COCCNCC1=NC=CC=C1 Z90501853 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.8 CSCCCNC1=CN=CC=C1 Z2670693189 [0,1,0,0,0,0|3,0,0]=4 170 B12R1.8 N#CCC/C=C/C1=CC=CC=C1 Z3300796892 [0,1,0,0,0,0|0,0,3]=4 171 B12R1.8 N#CCCCOC1=NC=CC=C1 Z360509256 [0,1,0,0,0,0|1,0,2]=4 172 B12R1.8 N#CCCNCC1=CC=NC=C1 Z56965984 [0,1,0,0,0,0|1,0,2]=4 173 B12R1.8 N#CCCNCC1=CN=CC=C1 Z53116802 [0,1,0,0,0,0|1,0,2]=4 174 B12R1.8 N#CCCNCC1=NC=CC=C1 Z53116751 [0,1,0,0,0,0|1,0,2]=4 175 B12R1.8 N#CCCOCC1=CC=CC=C1 Z317037710 [0,1,0,0,0,0|0,0,2]=3 176 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [0,1,0,0,0,0|0,0,0]=1 177 B12R1.8 NCCCCNC1=NC=CC=C1 Z600500000 [0,1,0,0,0,0|1,0,0]=2 178 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [0,1,0,0,0,0|0,0,0]=1 179 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [0,1,0,0,0,0|0,0,0]=1 180 B12R1.8 O=CCCCOC1=CC=CC=C1 Z993017686 [0,1,0,0,0,0|1,0,1]=3 181 B12R1.8 OCCCCOC1=CC=CC=C1 Z425795850 [0,1,0,0,0,0|1,0,0]=2 182 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [0,1,0,0,0,0|1,0,0]=2 183 B12R1.8 OCCCNCC1=CC=NC=C1 Z57455339 [0,1,0,0,0,0|2,0,0]=3 184 B12R1.8 OCCCNCC1=CN=CC=C1 Z57244080 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [0,1,0,0,0,0|1,0,0]=2 186 B12R1.8 OCCCSCC1=CC=CC=C1 Z104944808 [0,1,0,0,0,0|1,0,0]=2 187 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [0,1,0,0,0,0|1,0,0]=2 188 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [0,1,0,0,0,0|1,0,2]=4 189 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [0,1,0,0,0,0|1,0,1]=3 190 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [0,1,0,0,0,0|2,0,0]=3 191 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,1,0,0,0,0|2,0,0]=3 192 B12R1.27 CC(COC1=CC=CC=C1)NN Z2286637842 [0,1,0,0,0,0|2,0,0]=3 193 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [0,1,0,0,0,0|2,0,0]=3 197 B12R1.27 CCC(O)CCC1=CN=CC=C1 Z1233227787 [0,1,0,0,0,0|2,0,0]=3 198 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [0,1,0,0,0,0|2,0,0]=3 199 B12R1.27 CN(CCC1=CC=CC=C1)N=O Z3965372830 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,1,0,0,0,0|2,0,1]=4 201 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,1,0,0,0,0|2,0,1]=4 202 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [0,1,0,0,0,0|2,0,0]=3 203 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,1,0,0,0,0|2,0,1]=4 204 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,1,0,0,0,0|0,0,1]=2 205 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [0,1,0,0,0,0|1,0,1]=3 206 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Z1262246178 [0,1,0,0,0,0|2,0,1]=4 207 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,1,0,0,0,0|1,0,1]=3 208 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [0,1,0,0,0,0|1,0,0]=2 209 B12R1.27 NNC(=O)CNC1=CC=CC=C1 Z56886393 [0,1,0,0,0,0|2,0,1]=4 210 B12R1.27 NNC(=S)NCC1=CC=CC=C1 Z56828396 [0,1,0,0,0,0|2,0,1]=4 211 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,1,0,0,0,0|1,0,1]=3 212 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [0,1,0,0,0,0|2,0,1]=4 215 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [0,1,0,0,0,0|2,0,0]=3 216 B12R1.28 BrCCCOC1=CC(=CC=C1)I Z381428588 [0,1,0,0,0,0|2,0,0]=3 217 B12R1.28 C=CCCOC1=CC=CC(=C1)N Z1219749397 [0,1,0,0,0,0|2,0,1]=4 218 B12R1.28 CC1=CC(=CC=C1)CNCCO Z1836652697 [0,1,0,0,0,0|2,0,0]=3 219 B12R1.28 CC1=CC(=CC=C1)NCCC#N Z56939180 [0,1,0,0,0,0|1,0,2]=4 220 B12R1.28 CC1=CC(=CC=C1)OCCCN Z137642328 [0,1,0,0,0,0|1,0,0]=2 221 B12R1.28 CCCCNC1=CC(=CC=C1)I Z1266854879 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.28 CCCCOC1=CC(=CC=C1)N Z802665964 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.28 CNCCOC1=CC(=CC=C1)C Z147652434 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.28 CNCCOC1=CC(=CC=C1)Cl Z138105424 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.28 COCCOC1=CC(=CC=C1)Br Z285938612 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.28 COCCOC1=CC(=CC=C1)N Z285182536 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.28 COCCOC1=CC(=CC=C1)O Z381415582 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.28 N#CCCNC1=CC=CC(=C1)Cl Z56931866 [0,1,0,0,0,0|1,0,2]=4 229 B12R1.28 NC1=NC=CC(=C1)CSCCO Z991494056 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.28 NCCCCC1=CC(=NC=C1)N Z2895541303 [0,1,0,0,0,0|1,0,0]=2 231 B12R1.28 NCCCOC1=CC(=CC=C1)F Z2940631631 [0,1,0,0,0,0|1,0,0]=2 232 B12R1.28 NCCOCC1=CC(=CC=C1)Cl Z1891776830 [0,1,0,0,0,0|1,0,0]=2 233 B12R1.28 OCCCCC1=CC(=CC=C1)Br Z1233226242 [0,1,0,0,0,0|1,0,0]=2 234 B12R1.28 OCCCNC1=CC(=CN=C1)Br Z1272132917 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.28 OCCCOC1=CC(=CC=C1)Br Z425795856 [0,1,0,0,0,0|2,0,0]=3 236 B12R1.28 OCCNCC1=CC(=CC=C1)Cl Z1839480752 [0,1,0,0,0,0|2,0,0]=3 237 B12R1.28 OCCNCC1=CC(=CC=C1)F Z1840356205 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.28 OCCNCC1=CC(=CN=C1)Br Z3073940293 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.30 C#CCCC(=O)C1=CC=CC=C1 Z406376668 [0,1,0,0,0,0|1,0,2]=4 240 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [0,1,0,0,0,0|1,0,2]=4 241 B12R1.30 C=CCCC(N)C1=CC=CC=C1 Z1219748388 [0,1,0,0,0,0|1,0,1]=3 242 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [0,1,0,0,0,0|1,0,0]=2 243 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [0,1,0,0,0,0|1,0,0]=2 244 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [0,1,0,0,0,0|1,0,0]=2 245 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [0,1,0,0,0,0|1,0,0]=2 246 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [0,1,0,0,0,0|1,0,0]=2 247 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [0,1,0,0,0,0|2,0,0]=3 248 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [0,1,0,0,0,0|2,0,1]=4 249 B12R1.30 CCNCC(N)C1=CC=CC=C1 Z756920572 [0,1,0,0,0,0|2,0,0]=3 250 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [0,1,0,0,0,0|2,0,1]=4 251 B12R1.30 CN(CCCN)C1=NC=CC=C1 Z319975464 [0,1,0,0,0,0|2,0,0]=3 252 B12R1.30 CN(CCCO)C1=CC=CC=C1 Z104585644 [0,1,0,0,0,0|2,0,0]=3 253 B12R1.30 CNCCN(C)C1=CC=CC=C1 Z335286914 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.30 COCCC(N)C1=CN=CC=C1 Z2768512544 [0,1,0,0,0,0|3,0,0]=4 255 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [0,1,0,0,0,0|2,0,0]=3 256 B12R1.30 CSCCC(=O)C1=CC=CC=C1 Z1201679033 [0,1,0,0,0,0|2,0,1]=4 257 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [0,1,0,0,0,0|2,0,0]=3 258 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 Z168884010 [0,1,0,0,0,0|0,0,3]=4 259 B12R1.30 N#CCCC(N)C1=CC=CC=C1 Z1492796961 [0,1,0,0,0,0|0,0,2]=3 260 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [0,1,0,0,0,0|1,0,0]=2 261 B12R1.30 NCCNC(=O)C1=CC=CC=C1 Z235363051 [0,1,0,0,0,0|1,0,1]=3 262 B12R1.30 NCCNC(=O)C1=CN=CC=C1 Z259720702 [0,1,0,0,0,0|2,0,1]=4 263 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 Z104477558 [0,1,0,0,0,0|1,0,1]=3 264 B12R1.30 O=C(NCCO)C1=CC=CC=C1 Z31725250 [0,1,0,0,0,0|2,0,1]=4 265 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [0,1,0,0,0,0|2,0,1]=4 266 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [0,1,0,0,0,0|2,0,1]=4 267 B12R1.32 C#CCN(C)CC1=CC=CC=C1 Z103710848 [0,1,0,0,0,0|2,0,1]=4 268 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,1,0,0,0,0|1,0,1]=3 269 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,1,0,0,0,0|2,0,0]=3 270 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [0,1,0,0,0,0|1,0,0]=2 271 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,1,0,0,0,0|1,0,0]=2 272 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,1,0,0,0,0|2,0,0]=3 273 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [0,1,0,0,0,0|2,0,0]=3 274 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [0,1,0,0,0,0|2,0,1]=4 275 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [0,1,0,0,0,0|2,0,0]=3 276 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [0,1,0,0,0,0|1,0,0]=2 277 B12R1.32 NCCC(=O)NC1=CC=CC=C1 Z241054028 [0,1,0,0,0,0|1,0,1]=3 278 B12R1.32 NCCC(=O)NC1=CC=NC=C1 Z992716916 [0,1,0,0,0,0|2,0,1]=4 279 B12R1.32 NCCC(=O)NC1=CN=CC=C1 Z1101435045 [0,1,0,0,0,0|2,0,1]=4 280 B12R1.32 NCCC(=O)NC1=NC=CC=C1 Z398557256 [0,1,0,0,0,0|2,0,1]=4 281 B12R1.32 NCCS(=O)CC1=CC=CC=C1 Z802568488 [0,1,0,0,0,0|1,0,0]=2 282 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 Z217707130 [0,1,0,0,0,0|2,0,1]=4 283 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [0,1,0,0,0,0|2,0,1]=4 284 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,1,0,0,0,0|2,0,1]=4 285 B12R1.252 CC(N)CCCC1=CN=CC=C1 Z1255362761 [0,1,0,0,0,0|1,0,0]=2 286 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [0,1,0,0,0,0|1,0,0]=2 287 B12R1.252 CC(O)CCCC1=CN=CC=C1 Z1322050465 [0,1,0,0,0,0|2,0,0]=3 288 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [0,1,0,0,0,0|2,0,0]=3 289 B12R1.252 CN(C)CCCC1=CC=CC=C1 Z204698992 [0,1,0,0,0,0|2,0,0]=3 290 B12R1.252 CN(C)CCNC1=CC=CC=C1 Z335250304 [0,1,0,0,0,0|3,0,0]=4 291 B12R1.252 FC(F)CNCC1=CC=CC=C1 Z608352166 [0,1,0,0,0,0|2,0,0]=3 292 B12R1.252 FC(F)CNCC1=CN=CC=C1 Z608352458 [0,1,0,0,0,0|3,0,0]=4 293 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,1,0,0,0,0|1,0,1]=3 294 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,1,0,0,0,0|1,0,1]=3 295 B12R1.252 N=C(N)NCCC1=NC=CC=C1 Z1089995406 [0,1,0,0,0,0|2,0,1]=4 296 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,1,0,0,0,0|1,0,1]=3 297 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,1,0,0,0,0|1,0,1]=3 298 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,1,0,0,0,0|1,0,1]=3 299 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,1,0,0,0,0|1,0,1]=3 300 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,1,0,0,0,0|2,0,1]=4 301 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,1,0,0,0,0|1,0,1]=3 302 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,1,0,0,0,0|1,0,1]=3 303 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,1,0,0,0,0|2,0,1]=4 304 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,1,0,0,0,0|2,0,1]=4 305 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,1,0,0,0,0|2,0,1]=4 306 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,1,0,0,0,0|1,0,1]=3 307 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,1,0,0,0,0|1,0,1]=3 308 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,1,0,0,0,0|2,0,1]=4 309 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,1,0,0,0,0|2,0,1]=4 310 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,1,0,0,0,0|2,0,1]=4 311 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,1,0,0,0,0|2,0,1]=4 312 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,1,0,0,0,0|2,0,1]=4 313 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,1,0,0,0,0|2,0,1]=4 314 B12R1.267 C#CCNCC1=C(C=CC=C1)Cl Z1705787112 [0,1,0,0,0,0|2,0,1]=4 315 B12R1.267 C=CCNCC1=C(C=CC=C1)F Z744843672 [0,1,0,0,0,0|2,0,1]=4 316 B12R1.267 CC1=C(C=CC=C1)CSCC#N Z17108796 [0,1,0,0,0,0|1,0,2]=4 317 B12R1.267 CC1=C(C=CC=C1)OCCC#N Z54337106 [0,1,0,0,0,0|1,0,2]=4 318 B12R1.267 CC1=C(C=CC=C1)OCCCN Z271006092 [0,1,0,0,0,0|1,0,0]=2 319 B12R1.267 CC1=C(C=CC=C1)OCCNN Z56978182 [0,1,0,0,0,0|2,0,0]=3 320 B12R1.267 CCCCOC1=C(C=CC=C1)Br Z149303058 [0,1,0,0,0,0|2,0,0]=3 321 B12R1.267 CCCCOC1=C(C=CC=C1)N Z239604730 [0,1,0,0,0,0|2,0,0]=3 322 B12R1.267 CCCNCC1=C(C=CC=C1)F Z2524454856 [0,1,0,0,0,0|2,0,0]=3 323 B12R1.267 CCCNCC1=C(C=CC=C1)O Z316257178 [0,1,0,0,0,0|2,0,0]=3 324 B12R1.267 CNCCOC1=C(C=CC=C1)C Z138105348 [0,1,0,0,0,0|3,0,0]=4 325 B12R1.267 CNCCOC1=C(C=CC=C1)Cl Z138105384 [0,1,0,0,0,0|3,0,0]=4 326 B12R1.267 CNCCOC1=C(C=CC=C1)F Z138104722 [0,1,0,0,0,0|3,0,0]=4 327 B12R1.267 COCCNC1=C(C=CC=C1)N Z359511242 [0,1,0,0,0,0|3,0,0]=4 328 B12R1.267 COCCOC1=C(C=CC=C1)N Z274541842 [0,1,0,0,0,0|3,0,0]=4 329 B12R1.267 N#CCCCC1=C(C=CC=C1)Br Z1269161079 [0,1,0,0,0,0|0,0,2]=3 330 B12R1.267 N#CCCCC1=C(C=CC=C1)Cl Z1198169265 [0,1,0,0,0,0|0,0,2]=3 331 B12R1.267 N#CCCCN1C=CC=CC1=O Z295205162 [0,1,0,0,0,0|1,0,2]=4 332 B12R1.267 N#CCCNC1=C(C=CC=C1)F Z56813548 [0,1,0,0,0,0|1,0,2]=4 333 B12R1.267 N#CCCOC1=C(C=CC=C1)Cl Z54336949 [0,1,0,0,0,0|1,0,2]=4 334 B12R1.267 N#CCCOC1=C(C=CC=C1)F Z54556757 [0,1,0,0,0,0|1,0,2]=4 335 B12R1.267 N#CCCSC1=C(C=CC=C1)F Z54463198 [0,1,0,0,0,0|1,0,2]=4 336 B12R1.267 N#CCCSC1=C(C=CC=C1)N Z316174712 [0,1,0,0,0,0|1,0,2]=4 337 B12R1.267 NC1=C(C=CC=C1)NCCCO Z390185384 [0,1,0,0,0,0|2,0,0]=3 338 B12R1.267 NC1=C(C=CN=C1)SCCCO Z412016262 [0,1,0,0,0,0|3,0,0]=4 339 B12R1.267 NCCCCN1C=CC=CC1=O Z285163694 [0,1,0,0,0,0|1,0,0]=2 340 B12R1.267 NCCCOC1=C(C=CC=C1)F Z126954254 [0,1,0,0,0,0|1,0,0]=2 341 B12R1.267 NCCOCC1=C(C=CC=C1)Cl Z1259340990 [0,1,0,0,0,0|1,0,0]=2 342 B12R1.267 NCCSCC1=C(C=CC=C1)F Z89265003 [0,1,0,0,0,0|1,0,0]=2 343 B12R1.267 O=CCCCC1=C(C=CC=C1)Br Z1233207918 [0,1,0,0,0,0|1,0,1]=3 344 B12R1.267 O=CCCCC1=C(C=CC=C1)F Z1233207919 [0,1,0,0,0,0|1,0,1]=3 345 B12R1.267 OCCCOC1=C(C=CC=C1)Br Z149303380 [0,1,0,0,0,0|2,0,0]=3 346 B12R1.267 OCCCOC1=C(C=CC=C1)Cl Z149161814 [0,1,0,0,0,0|2,0,0]=3 347 B12R1.267 OCCNCC1=C(C=CC=C1)Br Z90504623 [0,1,0,0,0,0|2,0,0]=3 348 B12R2.1 CCC1NCC2=C1C=CC=C2 Z2937794220 [0,0,0,1,0,0|2,0,0]=3 349 B12R2.1 CNC1CCC2=C1C=CC=C2 Z239628830 [0,0,0,1,0,0|2,0,0]=3 350 B12R2.1 N#CC1CCC2=C1C=CC=C2 Z415654704 [0,0,0,1,0,0|0,0,2]=3 351 B12R2.1 N#CC1CSC2=C1C=CC=C2 Z1316762142 [0,0,0,1,0,0|1,0,2]=4 352 B12R2.1 NCC1=CSC2=C1C=CC=C2 Z425459986 [0,0,0,1,0,0|1,0,2]=4 353 B12R2.1 NCC1=NOC2=C1C=CC=C2 Z1203581810 [0,0,0,1,0,0|2,0,1]=4 354 B12R2.1 NCC1=NSC2=C1C=CC=C2 Z2456396538 [0,0,0,1,0,0|2,0,1]=4 355 B12R2.1 NCC1CCC2=C1C=CC=C2 Z415654944 [0,0,0,1,0,0|0,0,0]=1 356 B12R2.1 NCC1CCC2=C1N=CC=C2 Z2489361097 [0,0,0,1,0,0|1,0,0]=2 357 B12R2.1 NCC1COC2=C1C=CC=C2 Z1197877490 [0,0,0,1,0,0|1,0,0]=2 358 B12R2.1 NCC1CSC2=C1C=CC=C2 Z1316760731 [0,0,0,1,0,0|1,0,0]=2 359 B12R2.1 NCC1OCC2=C1C=CC=C2 Z2310708138 [0,0,0,1,0,0|1,0,0]=2 360 B12R2.1 O=CC1CCC2=C1C=CC=C2 Z1070003774 [0,0,0,1,0,0|1,0,1]=3 361 B12R2.1 O=NN1CCC2=C1C=CC=C2 Z1198156346 [0,0,0,1,0,0|3,0,0]=4 362 B12R2.1 OCC1CCC2=C1C=CC=C2 Z1148209594 [0,0,0,1,0,0|1,0,0]=2 363 B12R2.1 OCC1CNC2=C1C=CC=C2 Z2213893407 [0,0,0,1,0,0|2,0,0]=3 364 B12R2.1 OCC1CSC2=C1C=CC=C2 Z1316761281 [0,0,0,1,0,0|2,0,0]=3 365 B12R2.2 C1=CC(=CC=N1)C2=NCCN2 Z278202128 [0,0,0,1,0,0|2,0,1]=4 366 B12R2.2 C1=CC(=CC=N1)C2CCCN2 Z238920298 [0,0,0,1,0,0|1,0,0]=2 367 B12R2.2 C1=CC(=CC=N1)C2CCNC2 Z2492414323 [0,0,0,1,0,0|3,0,0]=4 368 B12R2.2 C1=CC(=CN=C1)C2=NCCN2 Z275361154 [0,0,0,1,0,0|2,0,1]=4 369 B12R2.2 C1=CC(=CN=C1)C2CCCN2 Z164706372 [0,0,0,1,0,0|1,0,0]=2 370 B12R2.2 C1=CC(=NC=N1)C2CCCN2 Z2492774467 [0,0,0,1,0,0|2,0,0]=3 371 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [0,0,0,1,0,0|2,0,1]=4 372 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 Z235344923 [0,0,0,1,0,0|0,0,2]=3 373 B12R2.2 C1=CC=C(C=C1)C2=NCCN2 Z283858536 [0,0,0,1,0,0|1,0,1]=3 374 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [0,0,0,1,0,0|0,0,0]=1 375 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [0,0,0,1,0,0|2,0,0]=3 376 B12R2.2 C1=CN=C(C=C1)C2=NCCN2 Z1198221938 [0,0,0,1,0,0|2,0,1]=4 377 B12R2.2 C1=CN=C(C=C1)C2CCNC2 Z940902744 [0,0,0,1,0,0|3,0,0]=4 378 B12R2.2 C1=CN=C(C=C1)N2CCCC2 Z31197339 [0,0,0,1,0,0|3,0,0]=4 379 B12R2.11 N[C@@H]1C[C@H]1SC2=CC=CC=C2 Z4598403773 [0,0,0,1,0,0|1,0,0]=2 380 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [0,0,0,1,0,0|2,0,0]=3 381 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [0,0,0,1,0,0|0,0,0]=1 382 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [0,0,0,1,0,0|0,0,0]=1 383 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,0,0,1,0,0|2,0,1]=4 384 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [0,0,0,1,0,0|2,0,0]=3 385 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [0,0,0,1,0,0|2,0,0]=3 386 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [0,0,0,1,0,0|0,0,2]=3 387 B12R2.27 NCC1CC1C2=CC=CC=C2 Z1276751392 [0,0,0,1,0,0|0,0,0]=1 388 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [0,0,0,1,0,0|1,0,1]=3 389 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [0,0,0,1,0,0|2,0,0]=3 390 B12R2.41 C1=CC2=C(C=C1)CCNCC2 Z368542280 [0,0,0,1,0,0|2,0,0]=3 391 B12R2.41 C1=CC2=C(C=C1)CNCCC2 Z1079126054 [0,0,0,1,0,0|2,0,0]=3 392 B12R2.41 C1=CC2=C(C=C1)NCCCC2 Z374049420 [0,0,0,1,0,0|0,0,0]=1 393 B12R2.41 C1=CC2=C(C=C1)NCCNC2 Z382719980 [0,0,0,1,0,0|1,0,0]=2 394 B12R2.41 C1=CC2=C(C=C1)NCCOC2 Z1198304389 [0,0,0,1,0,0|1,0,0]=2 395 B12R2.41 C1=CC2=C(C=C1)NCCSC2 Z1198305826 [0,0,0,1,0,0|1,0,0]=2 396 B12R2.41 C1=CC2=C(C=C1)OCCCO2 Z56963396 [0,0,0,1,0,0|2,0,0]=3 397 B12R2.41 C1=CC2=C(C=C1)OCCNC2 Z355445126 [0,0,0,1,0,0|2,0,0]=3 398 B12R2.41 C1=CC2=C(C=C1)SCCCN2 Z57044255 [0,0,0,1,0,0|1,0,0]=2 399 B12R2.41 C1=CC2=C(C=C1)SCCNC2 Z1255495971 [0,0,0,1,0,0|2,0,0]=3 400 B12R2.41 C1=CC2=C(C=N1)CNCCO2 Z4202576168 [0,0,0,1,0,0|3,0,0]=4 401 B12R2.41 C1=CC2=C(C=N1)NCCCC2 Z2896411761 [0,0,0,1,0,0|1,0,0]=2 402 B12R2.41 C1=CC2=C(C=N1)NCCCN2 Z1379448154 [0,0,0,1,0,0|2,0,0]=3 403 B12R2.41 C1=CC2=C(C=N1)OCCNC2 Z2143573784 [0,0,0,1,0,0|3,0,0]=4 404 B12R2.41 C1=CC2=C(CCCCN2)N=C1 Z1203732000 [0,0,0,1,0,0|1,0,0]=2 405 B12R2.41 C1=CC2=C(N=C1)NCCCC2 Z1203733884 [0,0,0,1,0,0|1,0,0]=2 406 B12R2.41 C1=CC2=C(N=C1)NCCCN2 Z1389212140 [0,0,0,1,0,0|2,0,0]=3 407 B12R2.41 C1=CC2=C(N=C1)OCCNC2 Z2143572903 [0,0,0,1,0,0|3,0,0]=4 408 B12R2.1081 CC1CCNC2=C1C=CC=C2 Z382691338 [0,0,0,1,0,0|2,0,0]=3 409 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [0,0,0,1,0,0|2,0,0]=3 410 B12R2.1081 CN1CCNC2=C1C=CC=C2 Z558641952 [0,0,0,1,0,0|3,0,0]=4 411 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [0,0,0,1,0,0|0,0,0]=1 412 B12R2.1081 NC1CCCC2=C1C=CN=C2 Z3244922506 [0,0,0,1,0,0|1,0,0]=2 413 B12R2.1081 NC1CCOC2=C1C=CC=C2 Z85923435 [0,0,0,1,0,0|1,0,0]=2 414 B12R2.1081 NC1CCSC2=C1C=CC=C2 Z57066684 [0,0,0,1,0,0|1,0,0]=2 415 B12R2.1081 NC1COCC2=C1C=CC=C2 Z1198178449 [0,0,0,1,0,0|1,0,0]=2 416 B12R2.1081 NC1CSCC2=C1C=CC=C2 Z1695783215 [0,0,0,1,0,0|1,0,0]=2 417 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Z1442208747 [0,0,0,1,0,0|1,0,0]=2 418 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [0,0,0,1,0,0|1,0,1]=3 419 B12R2.1081 O=C1CCCC2=C1C=CC=N2 Z1201621685 [0,0,0,1,0,0|2,0,1]=4 420 B12R2.1081 O=C1CCCC2=C1N=CC=C2 Z1201622535 [0,0,0,1,0,0|2,0,1]=4 421 B12R2.1081 O=C1CCC[N+]2=C1C=CC=C2 Z1269112409 [0,0,0,1,0,0|2,0,1]=4 422 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [0,0,0,1,0,0|2,0,1]=4 423 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [0,0,0,1,0,0|2,0,1]=4 424 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [0,0,0,1,0,0|2,0,1]=4 425 B12R2.1081 O=C1COCC2=C1C=CC=C2 Z1201625145 [0,0,0,1,0,0|2,0,1]=4 426 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [0,0,0,1,0,0|2,0,1]=4 427 B12R2.1081 O=S1CCNC2=C1C=CC=C2 Z217166136 [0,0,0,1,0,0|3,0,0]=4 428 B12R2.1081 OB1OCCC2=C1C=CC=C2 Z1201624582 [0,0,0,1,0,0|3,0,0]=4 429 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [0,0,0,1,0,0|1,0,0]=2 430 B12R2.1081 OC1CCCC2=C1C=CC=N2 Z1198156585 [0,0,0,1,0,0|2,0,0]=3 431 B12R2.1081 OC1CCCC2=C1C=NC=C2 Z1255398550 [0,0,0,1,0,0|2,0,0]=3 432 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [0,0,0,1,0,0|2,0,0]=3 433 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [0,0,0,1,0,0|2,0,0]=3 434 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [0,0,0,1,0,0|2,0,0]=3 435 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [0,0,0,1,0,0|2,0,0]=3 436 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [0,0,0,1,0,0|2,0,0]=3 437 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 Z1255505566 [0,0,0,1,0,0|2,0,0]=3 438 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [0,0,0,1,0,0|2,0,0]=3 439 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [0,0,0,1,0,0|2,0,0]=3 440 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 Z1216847007 [0,0,0,1,0,0|2,0,0]=3 441 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [0,0,0,1,0,0|2,0,0]=3 442 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [0,0,0,1,0,0|2,0,0]=3 443 B12R2.2057 C1=CC(=CC=N1)CNC2CC2 Z90517863 [0,0,0,1,0,0|3,0,0]=4 444 B12R2.2057 C1=CC(=CN=C1)CNC2CC2 Z90517827 [0,0,0,1,0,0|3,0,0]=4 445 B12R2.2057 C1=CC(=CN=C1)NCC2CC2 Z445153988 [0,0,0,1,0,0|3,0,0]=4 446 B12R2.2057 C1=CC=C(C=C1)CCC2CO2 Z1033258586 [0,0,0,1,0,0|1,0,0]=2 447 B12R2.2057 C1=CC=C(C=C1)NCC2CC2 Z431957604 [0,0,0,1,0,0|2,0,0]=3 448 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 Z57358969 [0,0,0,1,0,0|2,0,0]=3 449 B12R2.2057 C1=CC=C(C=C1)SCC2CO2 Z330820010 [0,0,0,1,0,0|2,0,0]=3 450 B12R2.2057 C1=CN=C(C=C1)CNC2CC2 Z90517825 [0,0,0,1,0,0|3,0,0]=4 451 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [0,0,0,1,0,0|0,0,0]=1 452 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 Z234895271 [0,0,0,1,0,0|2,0,0]=3 453 B10R1.21 CCNCCC1=CC=CS1 Z162417018 [0,0,0,0,1,0|3,0,0]=4 454 B10R1.21 N#CCCCC1=CSC=C1 Z1188366398 [0,0,0,0,1,0|1,0,2]=4 455 B10R1.21 NCCCCC1=CNN=C1 Z1203591855 [0,0,0,0,1,0|2,0,0]=3 456 B10R1.21 NCCCCC1=NC=CS1 Z1263529637 [0,0,0,0,1,0|2,0,0]=3 457 B10R1.21 NCCCCN1C=CN=C1 Z285163712 [0,0,0,0,1,0|2,0,0]=3 458 B10R1.21 NCCCCN1C=NN=C1 Z1267773714 [0,0,0,0,1,0|3,0,0]=4 459 B10R1.21 NCCCSC1=NC=CS1 Z764962842 [0,0,0,0,1,0|3,0,0]=4 460 B10R1.21 NCCSCC1=CSC=C1 Z111412082 [0,0,0,0,1,0|2,0,0]=3 461 B10R1.21 OCCCCC1=NC=CS1 Z1346130460 [0,0,0,0,1,0|3,0,0]=4 462 B10R1.21 OCCCCN1C=CN=C1 Z425794730 [0,0,0,0,1,0|3,0,0]=4 463 B10R1.21 OCCNCC1=CSC=C1 Z993991124 [0,0,0,0,1,0|3,0,0]=4 464 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [2,0,0,0,0,0|0,0,0]=2 465 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [2,0,0,0,0,0|1,0,0]=3 466 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [2,0,0,0,0,0|2,0,0]=4 467 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [2,0,0,0,0,0|1,0,0]=3 468 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [2,0,0,0,0,0|2,0,0]=4 469 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [2,0,0,0,0,0|2,0,0]=4 470 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [2,0,0,0,0,0|2,0,0]=4 471 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [2,0,0,0,0,0|2,0,0]=4 472 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [2,0,0,0,0,0|2,0,0]=4 473 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [2,0,0,0,0,0|2,0,0]=4 474 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [2,0,0,0,0,0|1,0,0]=3 475 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [2,0,0,0,0,0|1,0,0]=3 476 B9R1.8 NCCC1=CN=NC=C1 Z3070743015 [2,0,0,0,0,0|2,0,0]=4 477 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [2,0,0,0,0,0|1,0,0]=3 478 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [2,0,0,0,0,0|2,0,0]=4 479 B9R1.8 NCCC1=NC=NC=C1 Z2935002210 [2,0,0,0,0,0|2,0,0]=4 480 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [2,0,0,0,0,0|1,0,0]=3 481 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [2,0,0,0,0,0|2,0,0]=4 482 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [2,0,0,0,0,0|1,0,0]=3 483 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [2,0,0,0,0,0|1,0,1]=4 484 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [2,0,0,0,0,0|1,0,0]=3 485 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [2,0,0,0,0,0|2,0,0]=4 486 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [2,0,0,0,0,0|2,0,0]=4 487 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [1,1,0,0,0,0|2,0,0]=4 488 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [1,1,0,0,0,0|0,0,0]=2 489 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [1,1,0,0,0,0|2,0,0]=4 490 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [1,1,0,0,0,0|1,0,0]=3 491 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [1,1,0,0,0,0|2,0,0]=4 492 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [1,1,0,0,0,0|2,0,0]=4 493 B11R1.1 CC1=CN=C(C=C1)NCCN Z1695797833 [1,1,0,0,0,0|2,0,0]=4 494 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [1,1,0,0,0,0|0,0,0]=2 495 B11R1.1 CCCCC1=CN=C(N=C1)N Z1137168332 [1,1,0,0,0,0|2,0,0]=4 496 B11R1.1 CCCCC1=NC=C(C=N1)N Z1318447164 [1,1,0,0,0,0|2,0,0]=4 497 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [1,1,0,0,0,0|1,0,0]=3 498 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [1,1,0,0,0,0|1,0,0]=3 499 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [1,1,0,0,0,0|1,0,0]=3 500 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [1,1,0,0,0,0|1,0,0]=3 501 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [1,1,0,0,0,0|1,0,0]=3 502 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [1,1,0,0,0,0|1,0,0]=3 503 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [1,1,0,0,0,0|1,0,0]=3 504 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [1,1,0,0,0,0|1,0,0]=3 505 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [1,1,0,0,0,0|1,0,0]=3 506 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [1,1,0,0,0,0|1,0,0]=3 507 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [1,1,0,0,0,0|1,0,0]=3 508 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [1,1,0,0,0,0|1,0,0]=3 509 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [1,1,0,0,0,0|1,0,0]=3 510 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [1,1,0,0,0,0|2,0,0]=4 511 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [1,1,0,0,0,0|1,0,0]=3 512 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [1,1,0,0,0,0|2,0,0]=4 513 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [1,1,0,0,0,0|2,0,0]=4 514 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [1,1,0,0,0,0|2,0,0]=4 515 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [1,1,0,0,0,0|0,0,2]=4 516 B11R1.1 NC/C=C/C1=CC=C(C=C1)Br Z2235681463 [1,1,0,0,0,0|0,0,2]=4 517 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [1,1,0,0,0,0|2,0,0]=4 518 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [1,1,0,0,0,0|2,0,0]=4 519 B11R1.1 NCC#CC1=CC=C(C=C1)I Z4775597113 [1,1,0,0,0,0|0,0,2]=4 520 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [1,1,0,0,0,0|0,0,0]=2 521 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [1,1,0,0,0,0|0,0,0]=2 522 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [1,1,0,0,0,0|0,0,0]=2 523 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [1,1,0,0,0,0|0,0,0]=2 524 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [1,1,0,0,0,0|0,0,0]=2 525 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [1,1,0,0,0,0|1,0,0]=3 526 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [1,1,0,0,0,0|1,0,0]=3 527 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [1,1,0,0,0,0|1,0,0]=3 528 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [1,1,0,0,0,0|1,0,0]=3 529 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [1,1,0,0,0,0|1,0,0]=3 530 B11R1.1 NCCOC1=NC=C(C=C1)Cl Z1421528823 [1,1,0,0,0,0|2,0,0]=4 531 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [1,1,0,0,0,0|1,0,0]=3 532 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [1,1,0,0,0,0|1,0,0]=3 533 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [1,1,0,0,0,0|1,0,0]=3 534 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [1,1,0,0,0,0|1,0,1]=4 535 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [1,1,0,0,0,0|1,0,1]=4 536 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [1,1,0,0,0,0|1,0,1]=4 537 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [1,1,0,0,0,0|1,0,0]=3 538 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [1,1,0,0,0,0|2,0,0]=4 541 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [1,1,0,0,0,0|2,0,0]=4 542 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [1,1,0,0,0,0|2,0,0]=4 543 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [1,1,0,0,0,0|0,0,2]=4 544 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [1,1,0,0,0,0|0,0,2]=4 545 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [1,1,0,0,0,0|1,0,1]=4 546 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [1,1,0,0,0,0|0,0,1]=3 547 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [1,1,0,0,0,0|1,0,1]=4 548 B11R1.16 CCCC(=O)C1=NC=CC=C1 Z513733774 [1,1,0,0,0,0|1,0,1]=4 549 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [1,1,0,0,0,0|1,0,0]=3 550 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [1,1,0,0,0,0|0,0,0]=2 551 B11R1.16 CCNC(C)C1=CC=NC=C1 Z1695709422 [1,1,0,0,0,0|2,0,0]=4 552 B11R1.16 CCNC(C)C1=CN=CC=C1 Z163548568 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [1,1,0,0,0,0|1,0,1]=4 554 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [1,1,0,0,0,0|1,0,0]=3 555 B11R1.16 CN(CCN)C1=NC=CC=C1 Z3026268353 [1,1,0,0,0,0|2,0,0]=4 556 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [1,1,0,0,0,0|2,0,0]=4 557 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [1,1,0,0,0,0|1,0,0]=3 558 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [1,1,0,0,0,0|1,0,0]=3 559 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [1,1,0,0,0,0|1,0,1]=4 560 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [1,1,0,0,0,0|1,0,0]=3 561 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [1,1,0,0,0,0|0,0,2]=4 562 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [1,1,0,0,0,0|1,0,0]=3 563 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [1,1,0,0,0,0|0,0,0]=2 564 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [1,1,0,0,0,0|1,0,0]=3 565 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [1,1,0,0,0,0|1,0,1]=4 566 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [1,1,0,0,0,0|2,0,0]=4 567 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [1,1,0,0,0,0|1,0,0]=3 568 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [1,1,0,0,0,0|1,0,0]=3 569 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [1,1,0,0,0,0|0,0,0]=2 570 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [1,1,0,0,0,0|1,0,0]=3 571 B11R1.17 CC1=C(C=CC=C1)OCCN Z223656356 [1,1,0,0,0,0|1,0,0]=3 572 B11R1.17 CC1=C(N=CC=C1)CCCN Z1198262715 [1,1,0,0,0,0|1,0,0]=3 573 B11R1.17 CCCNC1=C(C=CC=C1)F Z334942896 [1,1,0,0,0,0|1,0,0]=3 574 B11R1.17 CCCNC1=C(C=CC=C1)N Z94601320 [1,1,0,0,0,0|1,0,0]=3 575 B11R1.17 CCCOC1=C(C=CC=C1)Br Z54722000 [1,1,0,0,0,0|1,0,0]=3 576 B11R1.17 CCCOC1=C(C=CC=C1)N Z56968930 [1,1,0,0,0,0|1,0,0]=3 577 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [1,1,0,0,0,0|1,0,0]=3 578 B11R1.17 CCNCC1=C(C=CC=C1)Br Z1982494002 [1,1,0,0,0,0|1,0,0]=3 579 B11R1.17 CCNCC1=C(C=CC=C1)C Z90513218 [1,1,0,0,0,0|1,0,0]=3 580 B11R1.17 CCNCC1=C(C=CC=C1)Cl Z90513164 [1,1,0,0,0,0|1,0,0]=3 581 B11R1.17 CCNCC1=C(C=CC=C1)F Z286282968 [1,1,0,0,0,0|1,0,0]=3 582 B11R1.17 CCNCC1=C(C=CC=C1)N Z2351947311 [1,1,0,0,0,0|1,0,0]=3 583 B11R1.17 CCOCC1=C(C=CC=C1)N Z285163822 [1,1,0,0,0,0|1,0,0]=3 584 B11R1.17 CCSCC1=C(N=CC=C1)N Z991493204 [1,1,0,0,0,0|2,0,0]=4 585 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [1,1,0,0,0,0|1,0,0]=3 586 B11R1.17 CNCCC1=C(C=CC=C1)Cl Z4935566656 [1,1,0,0,0,0|1,0,0]=3 587 B11R1.17 CNCCC1=C(C=CC=C1)F Z163192604 [1,1,0,0,0,0|1,0,0]=3 588 B11R1.17 CNCCC1=C(C=CC=C1)O Z1665033474 [1,1,0,0,0,0|1,0,0]=3 589 B11R1.17 COCCC1=C(C=CC=C1)N Z992259832 [1,1,0,0,0,0|1,0,0]=3 590 B11R1.17 COCCN1C=CC=CC1=O Z285935542 [1,1,0,0,0,0|2,0,0]=4 591 B11R1.17 ClC1=C(C=CC=C1)OCCBr Z56886267 [1,1,0,0,0,0|2,0,0]=4 592 B11R1.17 N#CCCC1=C(C=CC=C1)Br Z815260584 [1,1,0,0,0,0|0,0,2]=4 593 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [1,1,0,0,0,0|1,0,0]=3 594 B11R1.17 NC1=C(C=CC=C1)NCCO Z55928991 [1,1,0,0,0,0|2,0,0]=4 595 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [1,1,0,0,0,0|2,0,0]=4 596 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [1,1,0,0,0,0|0,0,0]=2 597 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [1,1,0,0,0,0|0,0,0]=2 598 B11R1.17 NCCCN1C=CC=CC1=O Z271005712 [1,1,0,0,0,0|1,0,0]=3 599 B11R1.17 NCCCN1C=CC=NC1=O Z1956828657 [1,1,0,0,0,0|2,0,0]=4 600 B11R1.17 NCCNC1=C(C=CC=C1)N Z991530054 [1,1,0,0,0,0|1,0,0]=3 601 B11R1.17 NCCNC1=C(C=CC=N1)Br Z808603224 [1,1,0,0,0,0|2,0,0]=4 602 B11R1.17 NCCOC1=C(C=CC=C1)Br Z803145324 [1,1,0,0,0,0|1,0,0]=3 603 B11R1.17 NCCOC1=C(C=CC=C1)Cl Z54747867 [1,1,0,0,0,0|1,0,0]=3 604 B11R1.17 NCCOC1=C(C=CC=C1)F Z1272739857 [1,1,0,0,0,0|1,0,0]=3 605 B11R1.17 NCCOC1=C(C=CC=C1)O Z3217405430 [1,1,0,0,0,0|1,0,0]=3 606 B11R1.17 NCCOC1=C(C=CC=N1)Cl Z1421528240 [1,1,0,0,0,0|2,0,0]=4 607 B11R1.17 NCCSC1=C(C=CC=C1)F Z57971449 [1,1,0,0,0,0|1,0,0]=3 608 B11R1.17 NNCCC1=C(C=CC=C1)F Z285144176 [1,1,0,0,0,0|1,0,0]=3 609 B11R1.17 O=C1C=CC=CN1CCCO Z425794816 [1,1,0,0,0,0|2,0,0]=4 610 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [1,1,0,0,0,0|1,0,1]=4 611 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [1,1,0,0,0,0|1,0,0]=3 612 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [1,1,0,0,0,0|2,0,0]=4 613 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [1,1,0,0,0,0|2,0,0]=4 614 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [1,1,0,0,0,0|2,0,0]=4 615 B11R1.17 OCCSC1=C(C=CC=C1)Br Z149386602 [1,1,0,0,0,0|2,0,0]=4 616 B11R1.17 OCCSC1=C(C=CC=C1)Cl Z149174540 [1,1,0,0,0,0|2,0,0]=4 617 B11R1.24 BrCCOC1=CC(=CC=C1)Br Z56886268 [1,1,0,0,0,0|2,0,0]=4 618 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [1,1,0,0,0,0|0,0,2]=4 619 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [1,1,0,0,0,0|0,0,0]=2 620 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [1,1,0,0,0,0|1,0,0]=3 621 B11R1.24 CC1=CC(=CC=C1)OCCBr Z56886266 [1,1,0,0,0,0|2,0,0]=4 622 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [1,1,0,0,0,0|1,0,0]=3 623 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [1,1,0,0,0,0|2,0,0]=4 624 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [1,1,0,0,0,0|2,0,0]=4 625 B11R1.24 CC1=NC(=CC=C1)NCCN Z1267773738 [1,1,0,0,0,0|2,0,0]=4 626 B11R1.24 CCCCC1=NC(=NC=C1)N Z1262627362 [1,1,0,0,0,0|2,0,0]=4 627 B11R1.24 CCCCC1=NC=NC(=C1)Cl Z1201628792 [1,1,0,0,0,0|2,0,0]=4 628 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [1,1,0,0,0,0|1,0,0]=3 629 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [1,1,0,0,0,0|1,0,0]=3 630 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [1,1,0,0,0,0|1,0,0]=3 631 B11R1.24 CCNCC1=CC(=CC=C1)Br Z1138763375 [1,1,0,0,0,0|1,0,0]=3 632 B11R1.24 CCNCC1=CC(=CC=C1)C Z90513252 [1,1,0,0,0,0|1,0,0]=3 633 B11R1.24 CCNCC1=CC(=CC=C1)Cl Z90513201 [1,1,0,0,0,0|1,0,0]=3 634 B11R1.24 CCNCC1=CC(=CC=C1)F Z85935746 [1,1,0,0,0,0|1,0,0]=3 635 B11R1.24 CCNCC1=CC(=CN=C1)Br Z3244742192 [1,1,0,0,0,0|2,0,0]=4 636 B11R1.24 CCNCC1=NC(=CC=C1)C Z385447500 [1,1,0,0,0,0|2,0,0]=4 637 B11R1.24 CCOCC1=CC(=CC=C1)N Z285163820 [1,1,0,0,0,0|1,0,0]=3 638 B11R1.24 CCSCC1=CC(=CC=C1)N Z332378038 [1,1,0,0,0,0|1,0,0]=3 639 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [1,1,0,0,0,0|1,0,0]=3 640 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [1,1,0,0,0,0|1,0,0]=3 641 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [1,1,0,0,0,0|1,0,0]=3 642 B11R1.24 COCCC1=CC(=NC=C1)N Z1333211037 [1,1,0,0,0,0|2,0,0]=4 643 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [1,1,0,0,0,0|1,0,0]=3 644 B11R1.24 NC1=CC(=CC=C1)OCCF Z1262657442 [1,1,0,0,0,0|2,0,0]=4 645 B11R1.24 NCC#CC1=CC(=CC=C1)F Z2004547701 [1,1,0,0,0,0|0,0,2]=4 646 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [1,1,0,0,0,0|0,0,0]=2 647 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [1,1,0,0,0,0|0,0,0]=2 648 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [1,1,0,0,0,0|0,0,0]=2 649 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [1,1,0,0,0,0|0,0,0]=2 650 B11R1.24 NCCCC1=CC(=CN=C1)F Z4446765955 [1,1,0,0,0,0|1,0,0]=3 651 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [1,1,0,0,0,0|1,0,0]=3 652 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [1,1,0,0,0,0|1,0,0]=3 653 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [1,1,0,0,0,0|1,0,0]=3 654 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [1,1,0,0,0,0|1,0,1]=4 655 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [1,1,0,0,0,0|1,0,1]=4 656 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [1,1,0,0,0,0|2,0,0]=4 657 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [1,1,0,0,0,0|2,0,0]=4 658 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [1,1,0,0,0,0|2,0,0]=4 659 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [1,1,0,0,0,0|0,0,2]=4 660 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [1,1,0,0,0,0|1,0,1]=4 661 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [1,1,0,0,0,0|1,0,0]=3 662 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [1,1,0,0,0,0|1,0,0]=3 663 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [1,1,0,0,0,0|1,0,0]=3 664 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [1,1,0,0,0,0|1,0,0]=3 665 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [1,1,0,0,0,0|1,0,1]=4 666 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [1,1,0,0,0,0|0,0,0]=2 667 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [1,1,0,0,0,0|0,0,0]=2 668 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [1,1,0,0,0,0|1,0,0]=3 669 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [1,1,0,0,0,0|0,0,0]=2 670 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [1,1,0,0,0,0|0,0,0]=2 671 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [1,1,0,0,0,0|1,0,0]=3 672 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [1,1,0,0,0,0|2,0,0]=4 673 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [1,1,0,0,0,0|0,0,1]=3 674 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [1,1,0,0,0,0|1,0,1]=4 675 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [1,1,0,0,0,0|0,0,0]=2 676 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [1,1,0,0,0,0|0,0,0]=2 677 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [1,1,0,0,0,0|0,0,0]=2 678 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [1,1,0,0,0,0|1,0,1]=4 679 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [1,1,0,0,0,0|1,0,0]=3 680 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [1,1,0,0,0,0|1,0,0]=3 681 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [1,1,0,0,0,0|1,0,1]=4 682 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [1,1,0,0,0,0|1,0,1]=4 683 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [1,1,0,0,0,0|1,0,1]=4 684 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [1,1,0,0,0,0|1,0,1]=4 685 B11R1.91 CC(C)CCC1=NC=CN=C1 Z1198147436 [1,1,0,0,0,0|2,0,0]=4 686 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [1,1,0,0,0,0|1,0,0]=3 687 B11R1.91 CC(C)COC1=CN=CC=C1 Z1606818727 [1,1,0,0,0,0|2,0,0]=4 688 B11R1.91 CC(C)NCC1=CN=CC=C1 Z90502194 [1,1,0,0,0,0|2,0,0]=4 689 B11R1.91 CC(C)NCC1=NC=CC=C1 Z90502192 [1,1,0,0,0,0|2,0,0]=4 690 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [1,1,0,0,0,0|0,0,0]=2 691 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [1,1,0,0,0,0|1,0,0]=3 692 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [1,1,0,0,0,0|1,0,0]=3 693 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [1,1,0,0,0,0|1,0,0]=3 694 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [1,1,0,0,0,0|0,0,0]=2 695 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [1,1,0,0,0,0|2,0,0]=4 696 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [1,1,0,0,0,0|0,0,1]=3 697 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [1,1,0,0,0,0|1,0,1]=4 698 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [1,1,0,0,0,0|1,0,1]=4 699 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [1,1,0,0,0,0|1,0,1]=4 700 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [1,1,0,0,0,0|0,0,1]=3 701 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [1,1,0,0,0,0|1,0,1]=4 702 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [1,1,0,0,0,0|1,0,1]=4 703 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [1,1,0,0,0,0|1,0,1]=4 704 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [1,1,0,0,0,0|1,0,1]=4 705 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [1,1,0,0,0,0|1,0,1]=4 706 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [1,1,0,0,0,0|1,0,1]=4 707 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [1,1,0,0,0,0|0,0,1]=3 708 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [1,1,0,0,0,0|1,0,1]=4 709 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [1,1,0,0,0,0|1,0,1]=4 710 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [1,1,0,0,0,0|1,0,1]=4 711 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [1,1,0,0,0,0|2,0,0]=4 712 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [1,1,0,0,0,0|2,0,0]=4 713 B11R1.4 OCCCSCC1=CSC=C1 Z1270324646 [0,1,0,0,1,0|2,0,0]=4 714 B11R1.27 CC1=CSC(=N1)CCCCN Z1032559176 [0,1,0,0,1,0|2,0,0]=4 715 B11R1.27 CN1C=C(C=N1)CCCCN Z1089968110 [0,1,0,0,1,0|2,0,0]=4 716 B11R1.27 NCCCCC1=CC=C(S1)Cl Z2027049471 [0,1,0,0,1,0|1,0,0]=3 717 B11R1.27 NCCCCN1C=C(C=N1)Br Z729840162 [0,1,0,0,1,0|2,0,0]=4 718 B11R1.27 NCCSCC1=CC=C(S1)Br Z90663839 [0,1,0,0,1,0|2,0,0]=4 719 B11R1.30 CC(CCN)CC1=CC=CS1 Z5431685558 [0,1,0,0,1,0|1,0,0]=3 720 B11R1.180 CC1=NC=CN1CCCCN Z285163724 [0,1,0,0,1,0|2,0,0]=4 721 B13R1.9 CC1=CC=C(C=C1)OCCCCN Z285166766 [0,2,0,0,0,0|0,0,0]=2 722 B13R1.9 CCCCCOC1=CC=C(C=C1)N Z4968222963 [0,2,0,0,0,0|1,0,0]=3 723 B13R1.9 CCCCCOC1=CC=C(C=C1)O Z56899109 [0,2,0,0,0,0|1,0,0]=3 724 B13R1.9 CCCCCOC1=NC=C(C=C1)Br Z808609212 [0,2,0,0,0,0|2,0,0]=4 725 B13R1.9 CCNCCOC1=CC=C(C=C1)Br Z1262398522 [0,2,0,0,0,0|2,0,0]=4 726 B13R1.9 CCOCCNC1=CC=C(C=C1)Cl Z2266149364 [0,2,0,0,0,0|2,0,0]=4 727 B13R1.9 CNCCCOC1=CC=C(C=C1)Br Z3002757594 [0,2,0,0,0,0|1,0,0]=3 728 B13R1.9 CNCCCOC1=CC=C(C=C1)F Z394693474 [0,2,0,0,0,0|1,0,0]=3 729 B13R1.9 COCCCNC1=CC=C(C=C1)C Z608346034 [0,2,0,0,0,0|2,0,0]=4 730 B13R1.9 COCCCSC1=CC=C(C=C1)N Z608346568 [0,2,0,0,0,0|2,0,0]=4 731 B13R1.9 COCCNCC1=CC=C(C=C1)F Z86129589 [0,2,0,0,0,0|2,0,0]=4 732 B13R1.9 N#CCCCOC1=CC=C(C=C1)Cl Z54445360 [0,2,0,0,0,0|0,0,2]=4 733 B13R1.9 N#CCCCOC1=CC=C(C=C1)F Z54446522 [0,2,0,0,0,0|0,0,2]=4 734 B13R1.9 NC1=CC=C(C=C1)CCNCCO Z1251358284 [0,2,0,0,0,0|1,0,0]=3 735 B13R1.9 NCCCCCC1=CC=C(C=C1)Br Z3327815448 [0,2,0,0,0,0|0,0,0]=2 736 B13R1.9 NCCCCCC1=CC=C(C=C1)Cl Z4525234042 [0,2,0,0,0,0|0,0,0]=2 737 B13R1.9 NCCCCCC1=CC=C(C=C1)F Z1255496234 [0,2,0,0,0,0|0,0,0]=2 738 B13R1.9 NCCCCOC1=CC=C(C=C1)F Z119967286 [0,2,0,0,0,0|0,0,0]=2 739 B13R1.14 CCC(=O)CCC1=CC=C(C=C1)Br Z406378158 [0,2,0,0,0,0|1,0,1]=4 740 B13R1.14 CNC(C)CCC1=CC=C(C=C1)O Z3215375352 [0,2,0,0,0,0|2,0,0]=4 741 B13R1.14 NCC(O)COC1=CC=C(C=C1)F Z271072308 [0,2,0,0,0,0|1,0,0]=3 742 B13R1.14 NCC(O)COC1=CC=C(C=C1)I Z381428032 [0,2,0,0,0,0|1,0,0]=3 743 B13R1.14 OCC(O)COC1=CC=C(C=C1)Cl Z995094004 [0,2,0,0,0,0|2,0,0]=4 744 B13R1.17 CC1=CC=C(C=C1)C(=O)NCCN Z259720736 [0,2,0,0,0,0|1,0,1]=4 745 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F Z104483210 [0,2,0,0,0,0|1,0,1]=4 746 B13R1.17 CCCCN(C)C1=CC=C(C=C1)N Z285202632 [0,2,0,0,0,0|2,0,0]=4 747 B13R1.17 CCNCC(O)C1=CC=C(C=C1)C Z1020680862 [0,2,0,0,0,0|2,0,0]=4 748 B13R1.17 CN(CCCN)C1=CC=C(C=C1)F Z381048078 [0,2,0,0,0,0|1,0,0]=3 749 B13R1.17 COCCC(N)C1=CC=C(C=C1)Cl Z1416200955 [0,2,0,0,0,0|2,0,0]=4 750 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Br Z259720692 [0,2,0,0,0,0|1,0,1]=4 751 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)Cl Z285139152 [0,2,0,0,0,0|1,0,1]=4 752 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)F Z259720696 [0,2,0,0,0,0|1,0,1]=4 753 B13R1.17 NCCNC(=O)C1=CC=C(C=C1)O Z285197958 [0,2,0,0,0,0|1,0,1]=4 754 B13R1.17 O=C(CCCO)C1=CC=C(C=C1)F Z228585372 [0,2,0,0,0,0|1,0,1]=4 755 B13R1.17 OCCCC(O)C1=CC=C(C=C1)F Z1251359270 [0,2,0,0,0,0|1,0,0]=3 756 B13R1.19 CCCS(=O)CC1=CC=C(C=C1)Br Z2933960114 [0,2,0,0,0,0|2,0,0]=4 757 B13R1.19 NCCC(=O)NC1=CC=C(C=C1)Br Z744754404 [0,2,0,0,0,0|1,0,1]=4 758 B13R1.19 O=S(CCO)CC1=CC=C(C=C1)I Z1614747420 [0,2,0,0,0,0|2,0,0]=4 759 B13R1.369 CC1=C(C=CC(=C1)Cl)OCCCN Z316909358 [0,2,0,0,0,0|1,0,0]=3 760 B13R1.369 CC1=CC(=C(C=C1)SCCCN)C Z57009488 [0,2,0,0,0,0|1,0,0]=3 761 B13R1.369 CCCCOC1=C(C=C(C=C1)C)Br Z291788284 [0,2,0,0,0,0|2,0,0]=4 762 B13R1.369 NCCCOC1=C(C=C(C=C1)Cl)Cl Z316909342 [0,2,0,0,0,0|1,0,0]=3 763 B13R1.369 NCCOCC1=C(C=C(C=C1)Cl)Cl Z976679226 [0,2,0,0,0,0|1,0,0]=3 764 B13R1.369 NCCSCC1=C(C=C(C=C1)Cl)Cl Z317061354 [0,2,0,0,0,0|1,0,0]=3 765 B13R1.369 OCCCOC1=C(C=C(C=C1)F)Br Z74091471 [0,2,0,0,0,0|2,0,0]=4 766 B13R1.369 OCCSCC1=C(C=C(C=C1)Br)F Z292821910 [0,2,0,0,0,0|2,0,0]=4 767 B13R1.371 CCCCOC1=CC=C(C=C1)C=O Z57887685 [0,2,0,0,0,0|2,0,0]=4 768 B13R1.371 CCCNCC1=CC=C(C=C1)C#N Z123980064 [0,2,0,0,0,0|2,0,0]=4 769 B13R1.371 CCCNCC1=CC=C(C=C1)OC Z2689031662 [0,2,0,0,0,0|2,0,0]=4 770 B13R1.371 CNCCCC1=CC=C(C=C1)OC Z385446946 [0,2,0,0,0,0|2,0,0]=4 771 B13R1.371 COC1=CC=C(C=C1)CCCCN Z1198155601 [0,2,0,0,0,0|0,0,0]=2 772 B13R1.371 COC1=CC=C(C=C1)COCCN Z335080350 [0,2,0,0,0,0|1,0,0]=3 773 B13R1.371 COC1=CC=C(C=C1)NCCCO Z104638312 [0,2,0,0,0,0|2,0,0]=4 774 B13R1.371 COC1=CC=C(C=C1)OCCCBr Z104508746 [0,2,0,0,0,0|2,0,0]=4 775 B13R1.371 COC1=CC=C(C=C1)OCCCN Z271006116 [0,2,0,0,0,0|1,0,0]=3 776 B13R1.371 N#CC1=CC=C(C=C1)CNCCF Z1416227266 [0,2,0,0,0,0|2,0,0]=4 777 B13R1.371 N#CC1=CC=C(C=C1)OCCCCl Z275020190 [0,2,0,0,0,0|2,0,0]=4 778 B13R1.371 N#CCCCC1=CC=C(C=C1)C=O Z1511790840 [0,2,0,0,0,0|0,0,2]=4 779 B13R1.371 O=CC1=CC=C(C=C1)OCCCCl Z1198147735 [0,2,0,0,0,0|2,0,0]=4 780 B13R1.513 CC(C)CCOC1=CC=C(C=C1)N Z239604712 [0,2,0,0,0,0|2,0,0]=4 781 B13R1.513 CC(C)CNCC1=CC=C(C=C1)Cl Z3300708565 [0,2,0,0,0,0|2,0,0]=4 782 B13R1.513 CC(C)NCCC1=CC=C(C=C1)F Z3950920670 [0,2,0,0,0,0|2,0,0]=4 783 B13R1.513 CC1=CC=C(C=C1)CCCC(=O)O Z336127890 [0,2,0,0,0,0|1,0,1]=4 784 B13R1.513 CC1=CC=C(C=C1)CSCC(=O)N Z33545794 [0,2,0,0,0,0|1,0,1]=4 785 B13R1.513 CC1=CC=C(C=C1)NCCC(=S)N Z362840678 [0,2,0,0,0,0|1,0,1]=4 786 B13R1.513 CC1=CC=C(C=C1)OCCC(=O)N Z33545286 [0,2,0,0,0,0|1,0,1]=4 787 B13R1.513 N=C(N)SCCC1=CC=C(C=C1)Cl Z2237698506 [0,2,0,0,0,0|1,0,1]=4 788 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)F Z155153962 [0,2,0,0,0,0|1,0,1]=4 789 B13R1.513 NC(=O)CCNC1=CC=C(C=C1)N Z1263714152 [0,2,0,0,0,0|1,0,1]=4 790 B13R1.513 NC(=O)CCOC1=CC=C(C=C1)N Z382711140 [0,2,0,0,0,0|1,0,1]=4 791 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)Cl Z33545287 [0,2,0,0,0,0|1,0,1]=4 792 B13R1.513 NC(=O)CCSC1=CC=C(C=C1)F Z33545610 [0,2,0,0,0,0|1,0,1]=4 793 B13R1.513 NC(=O)CNCC1=CC=C(C=C1)Br Z90608485 [0,2,0,0,0,0|1,0,1]=4 794 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Br Z19854475 [0,2,0,0,0,0|1,0,1]=4 795 B13R1.513 NC(=O)CSCC1=CC=C(C=C1)Cl Z18433099 [0,2,0,0,0,0|1,0,1]=4 796 B13R1.513 NC1=CC=C(C=C1)CCCC(=O)O Z336079594 [0,2,0,0,0,0|1,0,1]=4 797 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Br Z336286028 [0,2,0,0,0,0|1,0,1]=4 798 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)Cl Z336286026 [0,2,0,0,0,0|1,0,1]=4 799 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)F Z336285992 [0,2,0,0,0,0|1,0,1]=4 800 B13R1.513 O=C(O)CCCC1=CC=C(C=C1)O Z1201617656 [0,2,0,0,0,0|1,0,1]=4 801 B13R1.669 CC1=C(C=C(C=C1)CCCC=O)C Z1198339197 [0,2,0,0,0,0|1,0,1]=4 802 B13R1.669 CC1=C(C=C(C=C1)CCCCO)C Z1198339107 [0,2,0,0,0,0|1,0,0]=3 803 B13R1.669 CC1=C(C=C(C=C1)OCCCO)C Z425795786 [0,2,0,0,0,0|2,0,0]=4 804 B13R1.669 CCCCOC1=CC(=C(C=C1)N)C Z239604798 [0,2,0,0,0,0|2,0,0]=4 805 B13R1.669 O=CCCCC1=CC(=C(C=C1)Cl)Cl Z1233207931 [0,2,0,0,0,0|1,0,1]=4 806 B13R1.669 OCCNCC1=CC(=C(C=C1)Cl)Cl Z90504544 [0,2,0,0,0,0|2,0,0]=4 807 B13R1.669 OCCNCC1=CC(=C(C=C1)F)Br Z90504976 [0,2,0,0,0,0|2,0,0]=4 808 B13R1.669 OCCNCC1=CC(=C(C=C1)F)F Z90504971 [0,2,0,0,0,0|2,0,0]=4 809 B13R1.6 CCCNCCC1=CC(=CC=C1)F Z1267881689 [0,2,0,0,0,0|1,0,0]=3 810 B13R1.6 CCOCCOC1=CC(=CC=C1)Cl Z53834666 [0,2,0,0,0,0|2,0,0]=4 811 B13R1.6 CNCCCCC1=CC(=CC=C1)Br Z3023446824 [0,2,0,0,0,0|0,0,0]=2 812 B13R1.6 CNCCCOC1=CC(=CC=C1)Cl Z364247180 [0,2,0,0,0,0|1,0,0]=3 813 B13R1.6 COCCCNC1=CC(=CC=C1)N Z382721814 [0,2,0,0,0,0|2,0,0]=4 814 B13R1.6 COCCOCC1=CC(=CC=C1)Br Z823855434 [0,2,0,0,0,0|2,0,0]=4 815 B13R1.6 COCCOCC1=CC(=CC=C1)N Z285175802 [0,2,0,0,0,0|2,0,0]=4 816 B13R1.6 COCCSCC1=CC(=CC=C1)N Z424783822 [0,2,0,0,0,0|2,0,0]=4 817 B13R1.6 N#CCCCOC1=CC=CC(=C1)Cl Z54770117 [0,2,0,0,0,0|0,0,2]=4 818 B13R1.6 OCCCCNC1=CC(=CN=C1)Br Z1888322330 [0,2,0,0,0,0|2,0,0]=4 819 B13R1.6 OCCCNCC1=CC(=CC=C1)Cl Z1455950511 [0,2,0,0,0,0|1,0,0]=3 820 B13R1.24 C=CCCCC(=O)C1=CC=CC=C1 Z1219747350 [0,2,0,0,0,0|1,0,1]=4 821 B13R1.24 CC(OCCC#N)C1=CC=CC=C1 Z317037870 [0,2,0,0,0,0|0,0,2]=4 822 B13R1.24 CC(OCCCN)C1=CC=CC=C1 Z99601222 [0,2,0,0,0,0|0,0,0]=2 823 B13R1.24 CCCCCC(N)C1=CC=CC=C1 Z362781052 [0,2,0,0,0,0|1,0,0]=3 824 B13R1.24 CCCCCC(O)C1=CC=CC=C1 Z445987152 [0,2,0,0,0,0|1,0,0]=3 825 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 Z31763402 [0,2,0,0,0,0|1,0,1]=4 826 B13R1.24 CCCCNC(C)C1=CC=CC=C1 Z1250132346 [0,2,0,0,0,0|1,0,0]=3 827 B13R1.24 CCCCOC(=O)C1=CC=CC=C1 Z104473208 [0,2,0,0,0,0|1,0,1]=4 828 B13R1.24 CN(CCCCN)C1=CC=CC=C1 Z285162604 [0,2,0,0,0,0|0,0,0]=2 829 B13R1.24 COCCNC(C)C1=CC=CC=C1 Z137543082 [0,2,0,0,0,0|2,0,0]=4 830 B13R1.24 N#CCCCC(N)C1=CC=CC=C1 Z2216303120 [0,2,0,0,0,0|0,0,1]=3 831 B13R1.24 NCCCNC(=O)C1=CC=CC=C1 Z1455806932 [0,2,0,0,0,0|0,0,1]=3 832 B13R1.28 CCCCCNCC1=CC=CC=C1 Z4424628864 [0,2,0,0,0,0|1,0,0]=3 833 B13R1.28 CCOCCCNC1=CC=NC=C1 Z359301504 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.28 CNCCCOCC1=CC=CC=C1 Z164328298 [0,2,0,0,0,0|0,0,0]=2 835 B13R1.28 COCCCNCC1=CC=CC=C1 Z1723483716 [0,2,0,0,0,0|1,0,0]=3 836 B13R1.28 COCCCNCC1=CC=NC=C1 Z90505488 [0,2,0,0,0,0|2,0,0]=4 837 B13R1.28 COCCNCCC1=CC=CC=C1 Z90501852 [0,2,0,0,0,0|1,0,0]=3 838 B13R1.28 NCCCCNCC1=NC=CC=C1 Z4562297925 [0,2,0,0,0,0|1,0,0]=3 839 B13R1.28 NCCCCOCC1=CC=CC=C1 Z285164088 [0,2,0,0,0,0|0,0,0]=2 840 B13R1.28 NCCCOCCC1=CC=CC=C1 Z330915366 [0,2,0,0,0,0|0,0,0]=2 841 B13R1.28 NCCOCCOC1=CC=CC=C1 Z594038162 [0,2,0,0,0,0|0,0,0]=2 842 B13R1.28 O=CCCCC#CC1=CC=CC=C1 Z1511742437 [0,2,0,0,0,0|1,0,1]=4 843 B13R1.28 O=CCCCCOC1=CC=CC=C1 Z1041146860 [0,2,0,0,0,0|1,0,0]=3 844 B13R1.28 OCCCCNCC1=CC=CC=C1 Z57203042 [0,2,0,0,0,0|1,0,0]=3 845 B13R1.28 OCCCOCCC1=CC=CC=C1 Z445138016 [0,2,0,0,0,0|1,0,0]=3 846 B13R1.28 OCCOCCOC1=CC=CC=C1 Z756092452 [0,2,0,0,0,0|1,0,0]=3 847 B13R1.42 CC(CCO)NCC1=CC=CC=C1 Z1241678662 [0,2,0,0,0,0|1,0,0]=3 848 B13R1.42 CC(CCO)OCC1=CC=CC=C1 Z1806465434 [0,2,0,0,0,0|1,0,0]=3 849 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 Z406377440 [0,2,0,0,0,0|1,0,0]=3 850 B13R1.42 CCCC(N)CCC1=CC=CC=C1 Z406453106 [0,2,0,0,0,0|1,0,0]=3 851 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 Z46191183 [0,2,0,0,0,0|1,0,1]=4 852 B13R1.42 N#CCC(=O)CCC1=CC=CC=C1 Z360167300 [0,2,0,0,0,0|0,0,2]=4 853 B13R1.42 NCCC(=O)NCC1=CC=CC=C1 Z285214492 [0,2,0,0,0,0|0,0,1]=3 854 B13R1.42 NCCC(=O)NCC1=CC=NC=C1 Z359354526 [0,2,0,0,0,0|1,0,1]=4 855 B13R1.42 NCCC(=O)NCC1=CN=CC=C1 Z803145540 [0,2,0,0,0,0|1,0,1]=4 856 B13R1.42 NCCC(=O)NCC1=NC=CC=C1 Z1455721115 [0,2,0,0,0,0|1,0,1]=4 857 B13R1.42 NCCC(=O)OCC1=CC=CC=C1 Z1436181402 [0,2,0,0,0,0|0,0,1]=3 858 B13R1.42 NCCC(O)CCC1=CC=CC=C1 Z1255452410 [0,2,0,0,0,0|0,0,0]=2 859 B13R1.44 C#CCNC(C)CC1=CC=CC=C1 Z1633398357 [0,2,0,0,0,0|1,0,1]=4 860 B13R1.44 C=CCCC(=O)CC1=CC=CC=C1 Z1219747793 [0,2,0,0,0,0|1,0,1]=4 861 B13R1.44 CC(CC1=NC=CC=C1)NCCF Z2582971155 [0,2,0,0,0,0|2,0,0]=4 862 B13R1.44 CCCCC(O)CC1=NC=CC=C1 Z992975716 [0,2,0,0,0,0|2,0,0]=4 863 B13R1.44 CN(CCCN)CC1=CC=CC=C1 Z96092423 [0,2,0,0,0,0|0,0,0]=2 864 B13R1.44 CN(CCCO)CC1=CC=CC=C1 Z168889210 [0,2,0,0,0,0|1,0,0]=3 865 B13R1.44 NC(CCCO)CC1=CC=CC=C1 Z1198157366 [0,2,0,0,0,0|1,0,0]=3 866 B13R1.44 NCCCC(=O)NC1=CC=CC=C1 Z1449746694 [0,2,0,0,0,0|0,0,1]=3 867 B13R1.44 NCCNC(=O)CC1=CC=CC=C1 Z285226374 [0,2,0,0,0,0|0,0,1]=3 868 B13R1.44 NCCNC(=S)NC1=CC=CC=C1 Z56814594 [0,2,0,0,0,0|1,0,1]=4 869 B13R1.337 CC(=O)CCCCC1=CC=CC=C1 Z820117496 [0,2,0,0,0,0|1,0,0]=3 870 B13R1.337 CC(=O)NCCCC1=CC=CC=C1 Z26437154 [0,2,0,0,0,0|1,0,1]=4 871 B13R1.337 CC(C)CNCCC1=CC=CC=C1 Z90503847 [0,2,0,0,0,0|1,0,0]=3 872 B13R1.337 CN(C)CCCNC1=CC=NC=C1 Z359301282 [0,2,0,0,0,0|2,0,0]=4 873 B13R1.337 CN(C)CCNCC1=CC=NC=C1 Z90512844 [0,2,0,0,0,0|2,0,0]=4 874 B13R1.337 CN(C)CCNCC1=NC=CC=C1 Z90512806 [0,2,0,0,0,0|2,0,0]=4 875 B13R1.337 N=C(N)CCCOC1=CC=CC=C1 Z1702888520 [0,2,0,0,0,0|0,0,1]=3 876 B13R1.337 N=C(N)SCCOC1=CC=CC=C1 Z48820147 [0,2,0,0,0,0|1,0,1]=4 877 B13R1.337 NC(=O)CCCOC1=CC=CC=C1 Z33546386 [0,2,0,0,0,0|0,0,1]=3 878 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 Z53116260 [0,2,0,0,0,0|0,0,1]=3 879 B13R1.337 NC(=O)CCNCC1=CN=CC=C1 Z1706585640 [0,2,0,0,0,0|1,0,1]=4 880 B13R1.337 NC(=O)CCSCC1=CC=CC=C1 Z102924572 [0,2,0,0,0,0|0,0,1]=3 881 B13R1.337 NC(=O)NCCCC1=CC=CC=C1 Z198194892 [0,2,0,0,0,0|0,0,1]=3 882 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 Z361415662 [0,2,0,0,0,0|1,0,0]=3 883 B13R1.337 O=C(O)CCCNC1=CC=CC=C1 Z445129480 [0,2,0,0,0,0|1,0,1]=4 884 B13R1.337 O=C(O)CCCOC1=CC=CC=C1 Z104496174 [0,2,0,0,0,0|1,0,1]=4 885 B13R1.337 O=C(O)CCCSC1=CC=CC=C1 Z56862233 [0,2,0,0,0,0|1,0,1]=4 886 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 Z335451288 [0,2,0,0,0,0|1,0,1]=4 887 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 Z316258802 [0,2,0,0,0,0|1,0,1]=4 888 B13R1.337 O=C(O)CCSCC1=CC=CC=C1 Z54671437 [0,2,0,0,0,0|1,0,1]=4 889 B13R1.337 O=C(O)CNCCC1=CC=CC=C1 Z1278590824 [0,2,0,0,0,0|1,0,1]=4 890 B13R1.337 O=C(O)COCCC1=CC=CC=C1 Z362795648 [0,2,0,0,0,0|1,0,1]=4 891 B13R1.337 O=C(O)CSCCC1=CC=CC=C1 Z228588554 [0,2,0,0,0,0|1,0,1]=4 892 B13R1.555 CCCCCNC1=C(C=CC=N1)Br Z808603322 [0,2,0,0,0,0|2,0,0]=4 893 B13R1.555 CCCCCOC1=C(C=CC=N1)Br Z808605220 [0,2,0,0,0,0|2,0,0]=4 894 B13R1.555 CCCCNCC1=C(C=CC=C1)Cl Z86132035 [0,2,0,0,0,0|1,0,0]=3 895 B13R1.555 CCCCNCC1=C(C=CC=C1)F Z1695709425 [0,2,0,0,0,0|1,0,0]=3 896 B13R1.555 CCCCNCC1=C(C=CC=C1)O Z334909160 [0,2,0,0,0,0|1,0,0]=3 897 B13R1.555 CCNCCOC1=C(C=CC=C1)C Z2266142382 [0,2,0,0,0,0|2,0,0]=4 898 B13R1.555 CNCCCOC1=C(C=CC=C1)C Z364247080 [0,2,0,0,0,0|1,0,0]=3 899 B13R1.555 COCCCCC1=C(N=CC=C1)N Z1197893974 [0,2,0,0,0,0|2,0,0]=4 900 B13R1.555 COCCCOC1=C(C=CC=C1)N Z405629518 [0,2,0,0,0,0|2,0,0]=4 901 B13R1.555 N#CCCCOC1=C(C=CC=C1)Br Z54673826 [0,2,0,0,0,0|0,0,2]=4 902 B13R1.555 NCCCCSC1=C(C=CC=C1)Br Z1352877854 [0,2,0,0,0,0|0,0,0]=2 903 B13R1.718 C=C(CN)COCC1=CC=CC=C1 Z4754712847 [0,2,0,0,0,0|0,0,1]=3 904 B13R1.718 CC(CN)COCC1=CC=CC=C1 Z812516860 [0,2,0,0,0,0|0,0,0]=2 905 B13R1.718 CC(CO)OCCC1=CC=CC=C1 Z2235681135 [0,2,0,0,0,0|1,0,0]=3 906 B13R1.718 CCC(=O)NCCC1=CC=CC=C1 Z27761616 [0,2,0,0,0,0|1,0,1]=4 907 B13R1.718 CCC(O)CNCC1=CC=CC=C1 Z600449726 [0,2,0,0,0,0|1,0,0]=3 908 B13R1.718 CNC(=O)CNCC1=CC=CC=C1 Z2752927061 [0,2,0,0,0,0|1,0,1]=4 909 B13R1.718 NCC(=O)NCCC1=CC=CC=C1 Z234895191 [0,2,0,0,0,0|0,0,1]=3 910 B13R1.718 NNC(=O)CCCC1=CC=CC=C1 Z361890858 [0,2,0,0,0,0|0,0,1]=3 911 B13R1.718 NNC(=O)CCOC1=CC=CC=C1 Z58982234 [0,2,0,0,0,0|1,0,1]=4 912 B13R1.718 NNC(=S)NCCC1=CC=CC=C1 Z56828395 [0,2,0,0,0,0|1,0,1]=4 913 B13R1.718 O=C(CCCC1=CC=CC=C1)NO Z361890960 [0,2,0,0,0,0|0,0,1]=3 914 B13R1.718 O=C(CCOC1=CC=CC=C1)NO Z59182364 [0,2,0,0,0,0|1,0,1]=4 915 B13R1.718 O=C(CCl)CCCC1=CC=CC=C1 Z1262478900 [0,2,0,0,0,0|1,0,0]=3 916 B13R1.718 O=C(CCl)NCCC1=CC=CC=C1 Z56869446 [0,2,0,0,0,0|1,0,1]=4 917 B13R1.15 CC(CO)NCC1=CC(=CC=C1)Br Z425727416 [0,2,0,0,0,0|2,0,0]=4 918 B13R1.15 CC1=CC(=CC=C1)OCC(O)CN Z271072304 [0,2,0,0,0,0|1,0,0]=3 919 B13R1.15 NCC(O)COC1=CC(=CC=C1)F Z271072324 [0,2,0,0,0,0|1,0,0]=3 920 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Br Z1346696335 [0,2,0,0,0,0|2,0,0]=4 921 B13R1.15 OCC(O)CSC1=CC(=CC=C1)Cl Z1346696059 [0,2,0,0,0,0|2,0,0]=4 922 B13R1.135 CN(CC1=CC=CC=C1)C(=O)CN Z54748693 [0,2,0,0,0,0|1,0,1]=4 923 B13R1.254 CC(C)(CO)COC1=CC=CC=C1 Z1255499310 [0,2,0,0,0,0|2,0,0]=4 924 B13R1.254 CC(C)(CO)NCC1=CC=CC=C1 Z57328799 [0,2,0,0,0,0|2,0,0]=4 925 B13R1.254 CC(N)(C#N)CCC1=CC=CC=C1 Z415636554 [0,2,0,0,0,0|0,0,2]=4 926 B13R1.254 CC(N)(CO)COC1=CC=CC=C1 Z1250155590 [0,2,0,0,0,0|2,0,0]=4 927 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 Z406378608 [0,2,0,0,0,0|1,0,1]=4 928 B13R1.351 CC(C)C(O)CCC1=CC=CC=C1 Z513750674 [0,2,0,0,0,0|1,0,0]=3 929 B13R1.351 CC(C)C(O)CSC1=CC=CC=C1 Z1258791042 [0,2,0,0,0,0|2,0,0]=4 930 B13R1.351 CC(Cl)C(=O)CCC1=CC=CC=C1 Z1262508267 [0,2,0,0,0,0|1,0,1]=4 931 B13R1.351 CC(N)C(=O)NCC1=CC=CC=C1 Z234893901 [0,2,0,0,0,0|1,0,1]=4 932 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 Z2472775311 [0,2,0,0,0,0|1,0,1]=4 933 B13R1.351 CC(O)C(C)OCC1=CC=CC=C1 Z854223056 [0,2,0,0,0,0|2,0,0]=4 934 B13R1.351 CC(OCC1=CC=CC=C1)C(=O)N Z394696218 [0,2,0,0,0,0|1,0,1]=4 935 B13R1.351 NC(CCC1=CC=CC=C1)C(=O)O Z317025074 [0,2,0,0,0,0|1,0,1]=4 936 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O Z1255434715 [0,2,0,0,0,0|1,0,1]=4 937 B13R1.351 N[C@H](CCC1=CC=CC=C1)C(=O)O Z1255399095 [0,2,0,0,0,0|1,0,1]=4 938 B13R1.351 O=C(CCC1=CC=CC=C1)C(F)F Z1413815132 [0,2,0,0,0,0|1,0,1]=4 939 B13R1.351 O=C(O)C(O)CCC1=CC=CC=C1 Z1259340035 [0,2,0,0,0,0|1,0,1]=4 940 B13R1.528 CC(CO)NCC1=C(C=CC=C1)Cl Z425448346 [0,2,0,0,0,0|2,0,0]=4 941 B13R1.528 CCC(N)COC1=C(C=CC=C1)F Z1268152369 [0,2,0,0,0,0|2,0,0]=4 942 B13R1.528 NCC(=O)OCC1=C(C=CC=C1)Cl Z1267881712 [0,2,0,0,0,0|1,0,1]=4 943 B13R1.528 NCC(O)COC1=C(C=CC=C1)Br Z295439386 [0,2,0,0,0,0|1,0,0]=3 944 B13R1.528 NNC(=O)CCC1=C(C=CC=C1)O Z56754987 [0,2,0,0,0,0|1,0,1]=4 945 B13R1.16 CC1=C(C(=CC=C1)OCCCN)C Z1945696034 [0,2,0,0,0,0|1,0,0]=3 946 B13R1.16 CCCCNC1=C(C(=CC=C1)C)C Z334955384 [0,2,0,0,0,0|2,0,0]=4 947 B13R1.18 CC1=CC(=CC=C1)C(=O)NCCN Z259720776 [0,2,0,0,0,0|1,0,1]=4 948 B13R1.18 CCNCC(C)C1=CC(=CC=C1)Br Z3196419994 [0,2,0,0,0,0|2,0,0]=4 949 B13R1.18 CCNCC(O)C1=CC(=CC=C1)O Z56836691 [0,2,0,0,0,0|2,0,0]=4 950 B13R1.18 CN(CCCN)C1=CC(=CC=C1)F Z381048326 [0,2,0,0,0,0|1,0,0]=3 951 B13R1.18 NCCNC(=O)C1=CC(=CC=C1)Br Z992716926 [0,2,0,0,0,0|1,0,1]=4 952 B13R1.149 CC(C)CCOC1=CC(=CC=C1)N Z239604758 [0,2,0,0,0,0|2,0,0]=4 953 B13R1.149 CC(C)CNCC1=CC(=CC=C1)O Z86135906 [0,2,0,0,0,0|2,0,0]=4 954 B13R1.149 CC1=CC(=CC=C1)NCCC(=O)N Z382711330 [0,2,0,0,0,0|1,0,1]=4 955 B13R1.149 CC1=CC(=CC=C1)OCCC(=O)N Z33545285 [0,2,0,0,0,0|1,0,1]=4 956 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)Br Z33547023 [0,2,0,0,0,0|1,0,1]=4 957 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)F Z291821318 [0,2,0,0,0,0|1,0,1]=4 958 B13R1.149 NC(=O)CCOC1=CC(=CC=C1)N Z382711144 [0,2,0,0,0,0|1,0,1]=4 959 B13R1.149 NC(=O)CCSC1=CC(=CC=C1)Cl Z994468306 [0,2,0,0,0,0|1,0,1]=4 960 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)Br Z17129088 [0,2,0,0,0,0|1,0,1]=4 961 B13R1.149 NC(=O)CSCC1=CC(=CC=C1)N Z1813147313 [0,2,0,0,0,0|1,0,1]=4 962 B13R1.149 NC(=O)NCCC1=CC(=CC=C1)Cl Z198195798 [0,2,0,0,0,0|1,0,1]=4 963 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Br Z1097106911 [0,2,0,0,0,0|1,0,1]=4 964 B13R1.149 O=C(O)CCCC1=CC(=CC=C1)Cl Z1198171600 [0,2,0,0,0,0|1,0,1]=4 965 B13R1.656 CC1=CC(=C(C=C1)C)OCCCBr Z94602041 [0,2,0,0,0,0|2,0,0]=4 966 B13R1.656 CC1=CC(=C(C=C1)Cl)OCCCO Z425795366 [0,2,0,0,0,0|2,0,0]=4 967 B13R1.656 CCCNCC1=C(C=CC(=C1)F)F Z1076533382 [0,2,0,0,0,0|2,0,0]=4 968 B13R1.656 NCCCCC1=C(C=CC(=C1)F)F Z5398433570 [0,2,0,0,0,0|0,0,0]=2 969 B13R1.656 OCCNCC1=C(C=CC(=C1)Br)F Z90504924 [0,2,0,0,0,0|2,0,0]=4 970 B13R1.666 CCCCOC1=CC(=CC=C1)C#N Z57899981 [0,2,0,0,0,0|2,0,0]=4 971 B13R1.666 CCCCOC1=CC(=CC=C1)CN Z239604654 [0,2,0,0,0,0|2,0,0]=4 972 B13R1.666 CCCCSC1=CC(=CC=C1)CO Z1274332089 [0,2,0,0,0,0|2,0,0]=4 973 B13R1.666 COC1=CC(=CC=C1)CCCCO Z1198340910 [0,2,0,0,0,0|1,0,0]=3 974 B13R1.666 COC1=CC(=CC=C1)COCCN Z1895566937 [0,2,0,0,0,0|1,0,0]=3 975 B13R1.666 COC1=CC(=CC=C1)OCCCN Z1250132367 [0,2,0,0,0,0|1,0,0]=3 976 B13R1.666 N#CC1=CC=CC(=C1)OCCCO Z149252898 [0,2,0,0,0,0|2,0,0]=4 977 B13R1.26 CCC(OCCO)C1=CC=CC=C1 Z1896226330 [0,2,0,0,0,0|2,0,0]=4 978 B13R1.26 CCCCN(N=O)C1=CC=CC=C1 Z4882196363 [0,2,0,0,0,0|2,0,0]=4 979 B13R1.26 CCCNC(CC)C1=CC=CC=C1 Z316257194 [0,2,0,0,0,0|2,0,0]=4 980 B13R1.26 CCNCC(CC)C1=CC=CC=C1 Z163644928 [0,2,0,0,0,0|2,0,0]=4 981 B13R1.26 NCCC/C(=N/O)/C1=CC=CC=C1 Z235348081 [0,2,0,0,0,0|0,0,1]=3 982 B13R1.45 CC(C)CNC(C)C1=CC=CC=C1 Z4926664046 [0,2,0,0,0,0|2,0,0]=4 983 B13R1.45 CC(CCC(=O)O)C1=CC=CC=C1 Z1198150373 [0,2,0,0,0,0|1,0,1]=4 984 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 Z56755627 [0,2,0,0,0,0|2,0,0]=4 985 B13R1.45 C[C@@H](NCC(=O)N)C1=CC=CC=C1 Z1165167250 [0,2,0,0,0,0|1,0,1]=4 986 B13R1.45 NC(=O)NCC(O)C1=CC=CC=C1 Z198194916 [0,2,0,0,0,0|1,0,1]=4 987 B13R1.45 NC(=O)OCC(O)C1=CC=CC=C1 Z1198155491 [0,2,0,0,0,0|1,0,1]=4 988 B13R1.45 NC(CCC(=O)O)C1=CC=CC=C1 Z2213893322 [0,2,0,0,0,0|1,0,1]=4 989 B13R1.47 CCCC(N)C(=O)C1=CC=CC=C1 Z1507357367 [0,2,0,0,0,0|1,0,1]=4 990 B13R1.47 CN(C(=O)CCN)C1=CC=CC=C1 Z415728030 [0,2,0,0,0,0|1,0,1]=4 991 B13R1.122 CNCCC(C)(C)C1=CC=CC=C1 Z5376656985 [0,2,0,0,0,0|2,0,0]=4 992 B13R1.122 NCCCS(=O)(=O)C1=CC=CC=C1 Z316909586 [0,2,0,0,0,0|1,0,0]=3 993 B13R1.122 NCCNS(=O)(=O)C1=CC=CC=C1 Z235352029 [0,2,0,0,0,0|2,0,0]=4 994 B13R1.674 CCCNC(C)C1=C(C=CC=C1)Br Z316257250 [0,2,0,0,0,0|2,0,0]=4 995 B13R1.674 CN(CCCN)C1=C(C=CC=C1)F Z381048574 [0,2,0,0,0,0|1,0,0]=3 996 B13R1.674 NCCNC(=O)C1=C(C=CC=C1)Cl Z1250132251 [0,2,0,0,0,0|1,0,1]=4 997 B13R1.674 NCCNC(=O)C1=C(C=CC=C1)F Z259720724 [0,2,0,0,0,0|1,0,1]=4 998 B13R1.79 CCNC(CC)CC1=CC=CC=C1 Z513799512 [0,2,0,0,0,0|2,0,0]=4 999 B13R1.79 CNC(COC)CC1=CC=CC=C1 Z1836338813 [0,2,0,0,0,0|2,0,0]=4 1000 B13R1.348 CC(C)CC(N)CC1=CC=CC=C1 Z3214214500 [0,2,0,0,0,0|1,0,0]=3 1001 B13R1.348 CC(N)CC(=O)NC1=CC=CC=C1 Z594220260 [0,2,0,0,0,0|1,0,1]=4 1002 B13R1.348 CN(C)CC(N)CC1=CC=CC=C1 Z335289212 [0,2,0,0,0,0|2,0,0]=4 1003 B13R1.348 NC(CC(=O)O)CC1=CC=CC=C1 Z1318516262 [0,2,0,0,0,0|1,0,1]=4 1004 B13R1.348 O=C(O)CC(O)CC1=CC=CC=C1 Z982132054 [0,2,0,0,0,0|1,0,1]=4 1005 B13R1.470 CN(CCN)CC1=C(C=CC=C1)Cl Z415691250 [0,2,0,0,0,0|1,0,0]=3 1006 B13R1.470 NCCC(=O)NC1=C(C=CC=C1)Br Z4663226499 [0,2,0,0,0,0|1,0,1]=4 1007 B13R1.1327 CC(O)(CCN)CC1=CC=CC=C1 Z1269757759 [0,2,0,0,0,0|0,0,0]=2 1008 B13R1.1327 NCCS(=O)(=O)CC1=CC=CC=C1 Z425449646 [0,2,0,0,0,0|1,0,0]=3 1009 B13R1.1327 NCCS(=O)(=O)NC1=CC=CC=C1 Z445129434 [0,2,0,0,0,0|2,0,0]=4 1010 B13R1.158 CC(C)CCOC1=C(C=CC=C1)N Z239604734 [0,2,0,0,0,0|2,0,0]=4 1011 B13R1.158 CC(C)CNCC1=C(C=CC=C1)Br Z86135919 [0,2,0,0,0,0|2,0,0]=4 1012 B13R1.158 CC1=C(C=CC=C1)NCCC(=O)N Z68591167 [0,2,0,0,0,0|1,0,1]=4 1013 B13R1.158 N=C(N)NCCC1=C(C=CC=C1)F Z3034036268 [0,2,0,0,0,0|1,0,1]=4 1014 B13R1.158 NC(=O)CCNC1=C(C=CC=C1)Cl Z154209976 [0,2,0,0,0,0|1,0,1]=4 1015 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)F Z33546164 [0,2,0,0,0,0|1,0,1]=4 1016 B13R1.158 NC(=O)CCOC1=C(C=CC=C1)N Z382711142 [0,2,0,0,0,0|1,0,1]=4 1017 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)F Z103229740 [0,2,0,0,0,0|1,0,1]=4 1018 B13R1.158 NC(=O)CCSC1=C(C=CC=C1)N Z382712128 [0,2,0,0,0,0|1,0,1]=4 1019 B13R1.158 NC1=C(C=CC=C1)CCCC(=O)O Z1982493918 [0,2,0,0,0,0|1,0,1]=4 1020 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Br Z1097106913 [0,2,0,0,0,0|1,0,1]=4 1021 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)Cl Z1209411177 [0,2,0,0,0,0|1,0,1]=4 1022 B13R1.158 O=C(O)CCCC1=C(C=CC=C1)F Z1198171601 [0,2,0,0,0,0|1,0,1]=4 1023 B13R1.3523 CC(C)(C)CNCC1=CC=CC=C1 Z685844396 [0,2,0,0,0,0|2,0,0]=4 1024 B13R1.3523 CC(C)(N)COCC1=CC=CC=C1 Z1982493913 [0,2,0,0,0,0|1,0,0]=3 1025 B13R1.3523 FC(F)(F)CNCC1=CC=CC=C1 Z3305953062 [0,2,0,0,0,0|2,0,0]=4 1026 B13R1.3523 NS(=O)(=O)CCCC1=CC=CC=C1 Z820117348 [0,2,0,0,0,0|1,0,0]=3 1027 B13R1.3523 NS(=O)(=O)CCOC1=CC=CC=C1 Z839122596 [0,2,0,0,0,0|2,0,0]=4 1028 B13R1.3523 NS(=O)(=O)CCSC1=CC=CC=C1 Z1251373183 [0,2,0,0,0,0|2,0,0]=4 1029 B13R1.84 CCCCOC1=C(C=CC=C1)C=O Z57887827 [0,2,0,0,0,0|2,0,0]=4 1030 B13R1.84 CCCCOC1=C(C=CC=C1)CO Z335246938 [0,2,0,0,0,0|2,0,0]=4 1031 B13R1.84 CCCOCC1=C(C=CC=C1)CN Z406678104 [0,2,0,0,0,0|2,0,0]=4 1032 B13R1.84 COC1=C(C=CC=C1)CNCCO Z90504596 [0,2,0,0,0,0|2,0,0]=4 1033 B13R1.84 COC1=C(C=CC=C1)COCCN Z1895566846 [0,2,0,0,0,0|1,0,0]=3 1034 B13R1.84 COC1=C(C=CC=C1)NCCCO Z104593706 [0,2,0,0,0,0|2,0,0]=4 1035 B13R1.84 COC1=C(C=CC=C1)OCCCN Z271006104 [0,2,0,0,0,0|1,0,0]=3 1036 B13R1.84 COC1=C(C=CC=C1)OCCCO Z425795906 [0,2,0,0,0,0|2,0,0]=4 1037 B13R1.84 N#CC1=C(C=CC=C1)CSCCN Z89271886 [0,2,0,0,0,0|1,0,0]=3 1038 B13R1.84 N#CC1=C(C=CC=C1)OCCCO Z51119269 [0,2,0,0,0,0|2,0,0]=4 1039 B13R1.8919 CC1=C(C(=CC=C1)Cl)OCCCO Z1601637505 [0,2,0,0,0,0|2,0,0]=4 1040 B13R1.8919 CC1=CC=CC(=C1CNCCO)C Z4502811190 [0,2,0,0,0,0|2,0,0]=4 1041 B13R1.8919 CC1=CC=CC(=C1OCCCN)C Z815264262 [0,2,0,0,0,0|1,0,0]=3 1042 B13R1.8919 CC1=CC=CC(=O)N1CCCCN Z600402638 [0,2,0,0,0,0|1,0,0]=3 1043 B13R1.8919 CCCNCC1=C(C=CC=C1F)Cl Z57327235 [0,2,0,0,0,0|2,0,0]=4 1044 B13R1.8919 NCCCCC1=C(C=CC=C1F)F Z5398437622 [0,2,0,0,0,0|0,0,0]=2 1045 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [1,0,0,1,0,0|1,0,0]=3 1046 B11R2.1 CC1CNC2=C1C=CN=C2 Z3400245703 [1,0,0,1,0,0|2,0,0]=4 1047 B11R2.1 CC1CNC2=C1N=CC=C2 Z3464420345 [1,0,0,1,0,0|2,0,0]=4 1048 B11R2.1 CC1NCC2=C1C=CC=C2 Z1203731964 [1,0,0,1,0,0|1,0,0]=3 1049 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [1,0,0,1,0,0|0,0,0]=2 1050 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [1,0,0,1,0,0|1,0,0]=3 1051 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [1,0,0,1,0,0|0,0,0]=2 1052 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [1,0,0,1,0,0|1,0,1]=4 1053 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [1,0,0,1,0,0|2,0,0]=4 1054 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [1,0,0,1,0,0|2,0,0]=4 1055 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [1,0,0,1,0,0|0,0,0]=2 1056 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [1,0,0,1,0,0|0,0,0]=2 1057 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [1,0,0,1,0,0|0,0,0]=2 1058 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [1,0,0,1,0,0|0,0,2]=4 1059 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [1,0,0,1,0,0|1,0,0]=3 1060 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [1,0,0,1,0,0|1,0,0]=3 1061 B11R2.20 C1=CC2=C(C=C1)CONC2 Z2096086829 [1,0,0,1,0,0|2,0,0]=4 1062 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [1,0,0,1,0,0|1,0,0]=3 1063 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [1,0,0,1,0,0|1,0,0]=3 1064 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [1,0,0,1,0,0|1,0,0]=3 1065 B11R2.20 C1=CC2=C(C=N1)CCCC2 Z104492180 [1,0,0,1,0,0|1,0,0]=3 1066 B11R2.20 C1=CC2=C(C=N1)CCNC2 Z3243651255 [1,0,0,1,0,0|2,0,0]=4 1067 B11R2.20 C1=CC2=C(C=N1)CNCC2 Z3058791291 [1,0,0,1,0,0|2,0,0]=4 1068 B11R2.20 C1=CC2=C(C=N1)COCC2 Z4394915129 [1,0,0,1,0,0|2,0,0]=4 1069 B11R2.20 C1=CC2=C(C=N1)NCCC2 Z3243651200 [1,0,0,1,0,0|1,0,0]=3 1070 B11R2.20 C1=CC2=C(C=N1)NCCN2 Z1203732990 [1,0,0,1,0,0|2,0,0]=4 1071 B11R2.20 C1=CC2=C(C=N1)NCCO2 Z2217033032 [1,0,0,1,0,0|2,0,0]=4 1072 B11R2.20 C1=CC2=C(CCCC2)N=C1 Z1201617100 [1,0,0,1,0,0|1,0,0]=3 1073 B11R2.20 C1=CC2=C(CCCN2)N=C1 Z212053854 [1,0,0,1,0,0|1,0,0]=3 1074 B11R2.20 C1=CC2=C(CCNC2)N=C1 Z2142036515 [1,0,0,1,0,0|2,0,0]=4 1075 B11R2.20 C1=CC2=C(CCSC2)N=C1 Z3492694447 [1,0,0,1,0,0|2,0,0]=4 1076 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z1198176448 [1,0,0,1,0,0|1,0,0]=3 1077 B11R2.20 C1=CC2=C(N=C1)NCCN2 Z1198175971 [1,0,0,1,0,0|2,0,0]=4 1078 B11R2.20 C1=CC2=C(N=C1)OCCN2 Z1201624799 [1,0,0,1,0,0|2,0,0]=4 1079 B11R2.238 C1=CC(=CN=C1)NC2CC2 Z1203747527 [1,0,0,1,0,0|2,0,0]=4 1080 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [1,0,0,1,0,0|1,0,0]=3 1081 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [1,0,0,1,0,0|1,0,0]=3 1082 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [1,0,0,1,0,0|1,0,0]=3 1083 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [1,0,0,1,0,0|1,0,0]=3 1084 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [1,0,0,1,0,0|0,0,0]=2 1085 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [1,0,0,1,0,0|0,0,0]=2 1086 B11R2.2 C1=CNC(=C1)C2CCCN2 Z380849306 [0,0,0,1,1,0|1,0,0]=3 1087 B11R2.2 C1=CNC(=N1)C2CCCN2 Z1582263072 [0,0,0,1,1,0|2,0,0]=4 1088 B11R2.2 C1=COC(=C1)C2CCCN2 Z281773792 [0,0,0,1,1,0|1,0,0]=3 1089 B11R2.2 C1=CSC(=C1)C2CCCN2 Z57039610 [0,0,0,1,1,0|1,0,0]=3 1090 B11R2.2 C1=CSC(=N1)C2CCCN2 Z3247794040 [0,0,0,1,1,0|2,0,0]=4 1091 B11R2.2 C1=NNC=C1C2CCCN2 Z2238508588 [0,0,0,1,1,0|2,0,0]=4 1092 B11R2.18 C1=CN2CCCCNC2=N1 Z1203748961 [0,0,0,1,1,0|2,0,0]=4 1093 B11R2.106 NC1CCCC2=C1C=CO2 Z316258464 [0,0,0,1,1,0|1,0,0]=3 1094 B11R2.106 NC1CCCC2=C1C=CS2 Z1021395154 [0,0,0,1,1,0|1,0,0]=3 1095 B11R2.106 NC1CCCN2C1=NC=C2 Z2609665787 [0,0,0,1,1,0|2,0,0]=4 1096 B11R2.385 C1=CN(C=C1)CCC2CO2 Z1255451497 [0,0,0,1,1,0|2,0,0]=4 1097 B13R2.12 BrC1=CC=C(C=C1)C2CCCC2 Z1269180595 [0,1,0,1,0,0|1,0,0]=3 1098 B13R2.12 BrC1=CC=C(C=C1)C2CCCN2 Z281773782 [0,1,0,1,0,0|0,0,0]=2 1099 B13R2.12 BrC1=CC=C(C=C1)C2CCNC2 Z3235035411 [0,1,0,1,0,0|2,0,0]=4 1100 B13R2.12 BrC1=CC=C(C=C1)C2OCCO2 Z1269186914 [0,1,0,1,0,0|2,0,0]=4 1101 B13R2.12 BrC1=CN=C(C=C1)C2CCCN2 Z2044770018 [0,1,0,1,0,0|1,0,0]=3 1102 B13R2.12 BrC1=CN=C(N=C1)C2CCCN2 Z2858606868 [0,1,0,1,0,0|2,0,0]=4 1103 B13R2.12 CC1=CC=C(C=C1)C2=NCCN2 Z283690302 [0,1,0,1,0,0|1,0,1]=4 1104 B13R2.12 CC1=CC=C(C=C1)C2CCCN2 Z281773826 [0,1,0,1,0,0|0,0,0]=2 1105 B13R2.12 CC1=CC=C(C=C1)C2CCNC2 Z940902790 [0,1,0,1,0,0|2,0,0]=4 1106 B13R2.12 ClC1=CC=C(C=C1)C2=NCCN2 Z235362997 [0,1,0,1,0,0|1,0,1]=4 1107 B13R2.12 ClC1=CC=C(C=C1)C2CCCN2 Z1262246112 [0,1,0,1,0,0|0,0,0]=2 1108 B13R2.12 ClC1=CC=C(C=C1)C2CCNC2 Z1266933891 [0,1,0,1,0,0|2,0,0]=4 1109 B13R2.12 ClC1=CC=C(C=C1)N2CCCC2 Z1198183704 [0,1,0,1,0,0|2,0,0]=4 1110 B13R2.12 FC1=CC=C(C=C1)C2CCCN2 Z221586518 [0,1,0,1,0,0|0,0,0]=2 1111 B13R2.12 FC1=CC=C(C=C1)C2CCNC2 Z940902798 [0,1,0,1,0,0|2,0,0]=4 1112 B13R2.12 IC1=CC=C(C=C1)C2CCCN2 Z362776096 [0,1,0,1,0,0|0,0,0]=2 1113 B13R2.12 NC1=CC=C(C=C1)C2CCOC2 Z1486013480 [0,1,0,1,0,0|2,0,0]=4 1114 B13R2.12 NC1=CC=C(C=C1)C2SCCS2 Z119989558 [0,1,0,1,0,0|2,0,0]=4 1115 B13R2.12 NC1=CC=C(C=C1)N2CCCC2 Z90122552 [0,1,0,1,0,0|2,0,0]=4 1116 B13R2.12 OC1=CC=C(C=C1)C2CCCN2 Z803145548 [0,1,0,1,0,0|0,0,0]=2 1117 B13R2.12 OC1=CC=C(C=C1)C2CCNC2 Z2692095167 [0,1,0,1,0,0|2,0,0]=4 1118 B13R2.12 OC1=CC=C(C=C1)C2CCOC2 Z1486018525 [0,1,0,1,0,0|2,0,0]=4 1119 B13R2.12 OC1=CC=C(C=C1)C2SCCS2 Z57992434 [0,1,0,1,0,0|2,0,0]=4 1120 B13R2.12 OC1=CC=C(C=C1)N2CCCC2 Z1198154196 [0,1,0,1,0,0|2,0,0]=4 1121 B13R2.42 NC[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2286737527 [0,1,0,1,0,0|0,0,0]=2 1122 B13R2.42 O=CC1CC1C2=CC=C(C=C2)F Z1255463273 [0,1,0,1,0,0|1,0,1]=4 1123 B13R2.42 O=C[C@@H]1C[C@H]1C2=CC=C(C=C2)F Z2307166680 [0,1,0,1,0,0|1,0,1]=4 1124 B13R2.146 CC1CCN1C2=CC=C(C=C2)Br Z1464058881 [0,1,0,1,0,0|2,0,0]=4 1125 B13R2.162 CC1=CC2=C(C=C1)CCCC2=O Z1008431156 [0,1,0,1,0,0|1,0,1]=4 1126 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N Z2130641406 [0,1,0,1,0,0|0,0,0]=2 1127 B13R2.162 CC1=CC2=C(C=C1)SCCC2N Z384973728 [0,1,0,1,0,0|1,0,0]=3 1128 B13R2.162 CC1NCCC2=C1C=C(C=C2)Br Z4189403291 [0,1,0,1,0,0|2,0,0]=4 1129 B13R2.162 CC1NCCC2=C1C=C(C=C2)Cl Z4464935751 [0,1,0,1,0,0|2,0,0]=4 1130 B13R2.162 CC1NCCC2=C1C=C(C=C2)F Z1268152367 [0,1,0,1,0,0|2,0,0]=4 1131 B13R2.162 NC1=CC2=C(C=C1)CCCC2=O Z1201624068 [0,1,0,1,0,0|1,0,1]=4 1132 B13R2.162 NC1=CC2=C(C=C1)CCCC2N Z1262631299 [0,1,0,1,0,0|0,0,0]=2 1133 B13R2.162 NC1CCCC2=C1C=C(C=C2)Br Z3234892335 [0,1,0,1,0,0|0,0,0]=2 1134 B13R2.162 NC1CCCC2=C1C=C(C=C2)F Z1008463750 [0,1,0,1,0,0|0,0,0]=2 1135 B13R2.162 NC1CCOC2=C1C=C(C=C2)Br Z812517124 [0,1,0,1,0,0|1,0,0]=3 1136 B13R2.162 NC1CCOC2=C1C=C(C=C2)Cl Z3234952129 [0,1,0,1,0,0|1,0,0]=3 1137 B13R2.162 NC1CCOC2=C1C=C(C=C2)F Z1266854953 [0,1,0,1,0,0|1,0,0]=3 1138 B13R2.162 NC1CCSC2=C1C=C(C=C2)Br Z812516964 [0,1,0,1,0,0|1,0,0]=3 1139 B13R2.162 NC1CCSC2=C1C=C(C=C2)Cl Z147340872 [0,1,0,1,0,0|1,0,0]=3 1140 B13R2.162 NC1CCSC2=C1C=C(C=C2)F Z118507072 [0,1,0,1,0,0|1,0,0]=3 1141 B13R2.162 N[C@@H]1CCOC2=C1C=C(C=C2)O Z3353639073 [0,1,0,1,0,0|1,0,0]=3 1142 B13R2.162 O=C1CCCC2=C1C=C(C=C2)Br Z1008431018 [0,1,0,1,0,0|1,0,1]=4 1143 B13R2.162 O=C1CCCC2=C1C=C(C=C2)F Z1008431012 [0,1,0,1,0,0|1,0,1]=4 1144 B13R2.162 O=C1CCCC2=C1C=C(C=C2)O Z1198156579 [0,1,0,1,0,0|1,0,1]=4 1145 B13R2.162 OC1CCCC2=C1C=C(C=C2)Cl Z1008483484 [0,1,0,1,0,0|1,0,0]=3 1146 B13R2.162 OC1CCOC2=C1C=C(C=C2)Br Z235448344 [0,1,0,1,0,0|2,0,0]=4 1147 B13R2.527 BrC1=CC=C(C=C1)CNC2CC2 Z86138865 [0,1,0,1,0,0|2,0,0]=4 1148 B13R2.527 BrC1=CC=C(C=C1)NCC2CC2 Z4461698510 [0,1,0,1,0,0|2,0,0]=4 1149 B13R2.527 BrC1=CC=C(C=C1)OCC2CC2 Z431958470 [0,1,0,1,0,0|2,0,0]=4 1150 B13R2.527 BrC1=CC=C(C=C1)OCC2CO2 Z104492436 [0,1,0,1,0,0|2,0,0]=4 1151 B13R2.527 CC1=CC=C(C=C1)CNC2CC2 Z86138895 [0,1,0,1,0,0|2,0,0]=4 1152 B13R2.527 CC1=CC=C(C=C1)OCC2CO2 Z57046213 [0,1,0,1,0,0|2,0,0]=4 1153 B13R2.527 ClC1=CC=C(C=C1)CNC2CC2 Z86138866 [0,1,0,1,0,0|2,0,0]=4 1154 B13R2.527 ClC1=CC=C(C=C1)OCC2CO2 Z94602271 [0,1,0,1,0,0|2,0,0]=4 1155 B13R2.527 ClC1=CC=C(C=C1)OC[C@H]2CO2 Z1198182187 [0,1,0,1,0,0|2,0,0]=4 1156 B13R2.527 FC1=CC=C(C=C1)OCC2CO2 Z147642752 [0,1,0,1,0,0|2,0,0]=4 1157 B13R2.527 NC1=CC=C(C=C1)CNC2CC2 Z756920140 [0,1,0,1,0,0|2,0,0]=4 1158 B13R2.527 NC1=CC=C(C=C1)OCC2CC2 Z1267881654 [0,1,0,1,0,0|2,0,0]=4 1159 B13R2.527 OC1=CC=C(C=C1)CNC2CC2 Z425809384 [0,1,0,1,0,0|2,0,0]=4 1160 B13R2.527 OC1=CC=C(C=C1)OCC2CC2 Z431958964 [0,1,0,1,0,0|2,0,0]=4 1161 B13R2.1069 BrC1=CC=C(C=C1)NC2CCC2 Z3214799158 [0,1,0,1,0,0|2,0,0]=4 1162 B13R2.1069 ClC1=CC=C(C=C1)CC2CNC2 Z1333043513 [0,1,0,1,0,0|2,0,0]=4 1163 B13R2.1069 FC1=CC=C(C=C1)CC2CNC2 Z1274177347 [0,1,0,1,0,0|2,0,0]=4 1164 B13R2.1069 FC1=CC=C(C=C1)NC2CCC2 Z3247773511 [0,1,0,1,0,0|2,0,0]=4 1165 B13R2.1069 IC1=CC=C(C=C1)OC2CCC2 Z1862022366 [0,1,0,1,0,0|2,0,0]=4 1166 B13R2.1069 OC1=CC=C(C=C1)CC2CCC2 Z1513872159 [0,1,0,1,0,0|1,0,0]=3 1167 B13R2.1069 OC1=CC=C(C=C1)OC2CCC2 Z2515400422 [0,1,0,1,0,0|2,0,0]=4 1168 B13R2.2136 CNC1CCC2=C1C=C(C=C2)C Z5868947788 [0,1,0,1,0,0|2,0,0]=4 1169 B13R2.3729 BrC1=CC2=C(C=C1)CCCCN2 Z2805897454 [0,1,0,1,0,0|0,0,0]=2 1170 B13R2.3729 BrC1=CC2=C(C=C1)CCNCC2 Z3482360593 [0,1,0,1,0,0|2,0,0]=4 1171 B13R2.3729 BrC1=CC2=C(C=C1)CNCCC2 Z2737427877 [0,1,0,1,0,0|2,0,0]=4 1172 B13R2.3729 BrC1=CC2=C(C=C1)CNCCN2 Z2471612847 [0,1,0,1,0,0|1,0,0]=3 1173 B13R2.3729 BrC1=CC2=C(C=C1)CNCCO2 Z2587654837 [0,1,0,1,0,0|2,0,0]=4 1174 B13R2.3729 BrC1=CC2=C(C=C1)CSCCN2 Z5630128933 [0,1,0,1,0,0|1,0,0]=3 1175 B13R2.3729 BrC1=CC2=C(C=C1)NCCNC2 Z4270774627 [0,1,0,1,0,0|1,0,0]=3 1176 B13R2.3729 BrC1=CC2=C(C=C1)NCCOC2 Z1861993262 [0,1,0,1,0,0|1,0,0]=3 1177 B13R2.3729 BrC1=CC2=C(C=C1)OCCCO2 Z299596130 [0,1,0,1,0,0|2,0,0]=4 1178 B13R2.3729 BrC1=CC2=C(C=C1)OCCNC2 Z1954803398 [0,1,0,1,0,0|2,0,0]=4 1179 B13R2.3729 BrC1=CC2=C(C=C1)SCCCC2 Z1416181098 [0,1,0,1,0,0|1,0,0]=3 1180 B13R2.3729 BrC1=CC2=C(N=C1)NCCOC2 Z1269116235 [0,1,0,1,0,0|2,0,0]=4 1181 B13R2.3729 CC1=CC2=C(C=C1)CCCCN2 Z1255439654 [0,1,0,1,0,0|0,0,0]=2 1182 B13R2.3729 CC1=CC2=C(C=C1)CNCCN2 Z5405582016 [0,1,0,1,0,0|1,0,0]=3 1183 B13R2.3729 CC1=CC2=C(C=C1)CNCCO2 Z5001789364 [0,1,0,1,0,0|2,0,0]=4 1184 B13R2.3729 CC1=CC2=C(C=C1)NCCCS2 Z1741939081 [0,1,0,1,0,0|1,0,0]=3 1185 B13R2.3729 CC1=CC2=C(C=C1)NCCNC2 Z5030948158 [0,1,0,1,0,0|1,0,0]=3 1186 B13R2.3729 CC1=CC2=C(C=C1)OCCCN2 Z1251362910 [0,1,0,1,0,0|1,0,0]=3 1187 B13R2.3729 ClC1=CC2=C(C=C1)CCCCN2 Z1655103611 [0,1,0,1,0,0|0,0,0]=2 1188 B13R2.3729 ClC1=CC2=C(C=C1)CNCCO2 Z3292855287 [0,1,0,1,0,0|2,0,0]=4 1189 B13R2.3729 ClC1=CC2=C(C=C1)NCCCC2 Z2568751763 [0,1,0,1,0,0|0,0,0]=2 1190 B13R2.3729 ClC1=CC2=C(C=C1)NCCCS2 Z1262602361 [0,1,0,1,0,0|1,0,0]=3 1191 B13R2.3729 ClC1=CC2=C(C=C1)OCCCO2 Z382713972 [0,1,0,1,0,0|2,0,0]=4 1192 B13R2.3729 ClC1=CC2=C(C=C1)OCCNC2 Z2756841896 [0,1,0,1,0,0|2,0,0]=4 1193 B13R2.3729 ClC1=CC2=C(C=C1)SCCCN2 Z1262585685 [0,1,0,1,0,0|1,0,0]=3 1194 B13R2.3729 FC1=CC2=C(C=C1)OCCNC2 Z1201628924 [0,1,0,1,0,0|2,0,0]=4 1195 B13R2.3729 FC1=CC2=C(C=C1)SCCCN2 Z1809367941 [0,1,0,1,0,0|1,0,0]=3 1196 B13R2.3729 NC1=CC2=C(C=C1)CCCC=C2 Z2522554090 [0,1,0,1,0,0|1,0,1]=4 1197 B13R2.3729 NC1=CC2=C(C=C1)CCCCC2 Z2465619886 [0,1,0,1,0,0|1,0,0]=3 1198 B13R2.3729 NC1=CC2=C(C=C1)OCCCO2 Z90121988 [0,1,0,1,0,0|2,0,0]=4 1199 B13R2.3729 OC1=CC2=C(C=C1)CCCCC2 Z1513804380 [0,1,0,1,0,0|1,0,0]=3 1200 B13R2.3729 OC1=CC2=C(C=C1)CCCNC2 Z3244826621 [0,1,0,1,0,0|2,0,0]=4 1201 B13R2.3729 OC1=CC2=C(C=C1)CCNCC2 Z744593112 [0,1,0,1,0,0|2,0,0]=4 1202 B13R2.3729 OC1=CC2=C(C=C1)CNCCO2 Z2034364686 [0,1,0,1,0,0|2,0,0]=4 1203 B13R2.3729 OC1=CC2=C(C=C1)NCCCC2 Z2943582595 [0,1,0,1,0,0|0,0,0]=2 1204 B13R2.3729 OC1=CC2=C(C=C1)OCCCO2 Z384971252 [0,1,0,1,0,0|2,0,0]=4 1205 B13R2.3729 SC1=CC2=C(C=C1)OCCCO2 Z57028523 [0,1,0,1,0,0|2,0,0]=4 1206 B13R2.1 C#CCN1CCC2=C1C=CC=C2 Z103730710 [0,1,0,1,0,0|1,0,1]=4 1207 B13R2.1 CCNC1CCC2=C1C=CC=C2 Z812517138 [0,1,0,1,0,0|1,0,0]=3 1208 B13R2.1 CCNC1COC2=C1C=CC=C2 Z425810960 [0,1,0,1,0,0|2,0,0]=4 1209 B13R2.1 N#CCC1COC2=C1C=CC=C2 Z1316805889 [0,1,0,1,0,0|0,0,2]=4 1210 B13R2.1 N#CCN1CCC2=C1C=CC=C2 Z168916686 [0,1,0,1,0,0|0,0,2]=4 1211 B13R2.1 NCCC1=CNC2=C1C=CC=C2 Z104478080 [0,1,0,1,0,0|0,0,2]=4 1212 B13R2.1 NCCC1=CSC2=C1C=CC=C2 Z432090862 [0,1,0,1,0,0|0,0,2]=4 1213 B13R2.1 NCCC1=NOC2=C1C=CC=C2 Z2492774449 [0,1,0,1,0,0|1,0,1]=4 1214 B13R2.1 NCCN1C=NC2=C1C=CC=C2 Z607822458 [0,1,0,1,0,0|1,0,1]=4 1215 B13R2.1 NCCN1CCC2=C1C=CC=C2 Z594038402 [0,1,0,1,0,0|0,0,0]=2 1216 B13R2.1 OCCN1CCC2=C1C=CC=C2 Z425793930 [0,1,0,1,0,0|1,0,0]=3 1217 B13R2.3 C1=CC(=CC=N1)C2CCCCN2 Z3244821672 [0,1,0,1,0,0|1,0,0]=3 1218 B13R2.3 C1=CC(=CC=N1)C2CCCNC2 Z2092370409 [0,1,0,1,0,0|1,0,0]=3 1219 B13R2.3 C1=CC(=CC=N1)C2CCNCC2 Z320116676 [0,1,0,1,0,0|2,0,0]=4 1220 B13R2.3 C1=CC(=CC=N1)C2CNCCN2 Z1198172587 [0,1,0,1,0,0|1,0,0]=3 1221 B13R2.3 C1=CC(=CN=C1)C2=NCCCC2 Z2517097749 [0,1,0,1,0,0|1,0,1]=4 1222 B13R2.3 C1=CC(=CN=C1)C2CCCNC2 Z2380440630 [0,1,0,1,0,0|1,0,0]=3 1223 B13R2.3 C1=CC(=CN=C1)C2CCNCC2 Z3243815051 [0,1,0,1,0,0|2,0,0]=4 1224 B13R2.3 C1=CC(=CN=C1)C2CNCCN2 Z1198172584 [0,1,0,1,0,0|1,0,0]=3 1225 B13R2.3 C1=CC(=CN=C1)C2CNCCO2 Z3235143301 [0,1,0,1,0,0|2,0,0]=4 1226 B13R2.3 C1=CC(=CN=C1)[C@@H]2CCCCN2 Z2106605239 [0,1,0,1,0,0|1,0,0]=3 1227 B13R2.3 C1=CC(=NC=N1)C2CCCNC2 Z607864664 [0,1,0,1,0,0|2,0,0]=4 1228 B13R2.3 C1=CC=C(C=C1)C2=CCCNC2 Z2033454370 [0,1,0,1,0,0|0,0,2]=4 1229 B13R2.3 C1=CC=C(C=C1)C2=CCNCC2 Z1742056028 [0,1,0,1,0,0|1,0,1]=4 1230 B13R2.3 C1=CC=C(C=C1)C2=NCCCN2 Z57932430 [0,1,0,1,0,0|0,0,1]=3 1231 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 Z2205958510 [0,1,0,1,0,0|0,0,0]=2 1232 B13R2.3 C1=CC=C(C=C1)C2CCNCC2 Z235351197 [0,1,0,1,0,0|1,0,0]=3 1233 B13R2.3 C1=CC=C(C=C1)C2CCOCN2 Z2891267780 [0,1,0,1,0,0|0,0,0]=2 1234 B13R2.3 C1=CC=C(C=C1)C2CNCCN2 Z1250954583 [0,1,0,1,0,0|0,0,0]=2 1235 B13R2.3 C1=CC=C(C=C1)C2CNCCO2 Z283821656 [0,1,0,1,0,0|1,0,0]=3 1236 B13R2.3 C1=CC=C(C=C1)C2COCCN2 Z1097086259 [0,1,0,1,0,0|0,0,0]=2 1237 B13R2.3 C1=CC=C(C=C1)C2CSCCN2 Z1201621925 [0,1,0,1,0,0|0,0,0]=2 1238 B13R2.3 C1=CN=C(C=C1)C2CCCNC2 Z2211231363 [0,1,0,1,0,0|1,0,0]=3 1239 B13R2.3 C1=CN=C(C=C1)C2CCNCC2 Z320116674 [0,1,0,1,0,0|2,0,0]=4 1240 B13R2.3 C1=CN=C(C=C1)C2CNCCO2 Z3235143299 [0,1,0,1,0,0|2,0,0]=4 1241 B13R2.3 C1=CN=C(C=C1)N2CCCCC2 Z31192691 [0,1,0,1,0,0|2,0,0]=4 1242 B13R2.3 C1=CN=C(N=C1)C2CCCCN2 Z2768553792 [0,1,0,1,0,0|2,0,0]=4 1243 B13R2.3 C1=CN=C(N=C1)C2CCCNC2 Z2310717454 [0,1,0,1,0,0|2,0,0]=4 1244 B13R2.15 CC1NCCC1C2=CC=CC=C2 Z979418782 [0,1,0,1,0,0|1,0,0]=3 1245 B13R2.15 CN1CCC[C@H]1C2=CN=CC=C2 Z1198150037 [0,1,0,1,0,0|1,0,0]=3 1246 B13R2.15 F[C@@H]1CNC[C@@H]1C2=CC=CC=C2 Z3222118152 [0,1,0,1,0,0|1,0,0]=3 1247 B13R2.15 N=C1NCCC1C2=CC=CC=C2 Z5485653209 [0,1,0,1,0,0|0,0,2]=4 1248 B13R2.15 NC1=NCCN1C2=CC=CC=C2 Z56767233 [0,1,0,1,0,0|1,0,1]=4 1249 B13R2.15 NC1CCCC1C2=CC=CC=C2 Z993058900 [0,1,0,1,0,0|0,0,0]=2 1250 B13R2.15 N[C@@H]1CCO[C@H]1C2=CC=CC=C2 Z2690083974 [0,1,0,1,0,0|0,0,0]=2 1251 B13R2.15 N[C@@H]1CCO[C@H]1C2=CN=CC=C2 Z2327884249 [0,1,0,1,0,0|1,0,0]=3 1252 B13R2.15 O=C1CCCC1C2=CC=CC=C2 Z993018320 [0,1,0,1,0,0|1,0,0]=3 1253 B13R2.15 O=C1CCCN1C2=CC=CC=C2 Z55670889 [0,1,0,1,0,0|1,0,1]=4 1254 B13R2.15 O=C1NCCC1C2=CC=CC=C2 Z1198157720 [0,1,0,1,0,0|1,0,1]=4 1255 B13R2.15 O=C1OCCC1C2=CC=CC=C2 Z1198158252 [0,1,0,1,0,0|1,0,1]=4 1256 B13R2.15 OC1CCCC1C2=CN=CC=C2 Z992949374 [0,1,0,1,0,0|2,0,0]=4 1257 B13R2.15 O[C@@H]1CCC[C@H]1C2=CC=CC=C2 Z2306832376 [0,1,0,1,0,0|1,0,0]=3 1258 B13R2.15 O[C@@H]1CCN[C@@H]1C2=CC=CC=C2 Z4203073787 [0,1,0,1,0,0|0,0,0]=2 1259 B13R2.25 O=C=NC1CC1C2=CC=CC=C2 Z1094720198 [0,1,0,1,0,0|1,0,1]=4 1260 B13R2.25 O=CC[C@@H]1C[C@H]1C2=CC=CC=C2 Z2582231304 [0,1,0,1,0,0|1,0,0]=3 1261 B13R2.50 NC[C@@H]1C[C@H]1CC2=CC=CC=C2 Z3013803470 [0,1,0,1,0,0|0,0,0]=2 1262 B13R2.56 NCC1CCC1C2=CC=CC=C2 Z4003034803 [0,1,0,1,0,0|0,0,0]=2 1263 B13R2.56 O=CC1CCC1C2=CC=CC=C2 Z1509045454 [0,1,0,1,0,0|1,0,0]=3 1264 B13R2.56 OC[C@@H]1NC[C@H]1C2=CC=CC=C2 Z3691037314 [0,1,0,1,0,0|1,0,0]=3 1265 B13R2.64 C1=CC(=CC=N1)CC2CCCN2 Z3251716672 [0,1,0,1,0,0|1,0,0]=3 1266 B13R2.64 C1=CC(=CC=N1)NC2CCCC2 Z359297434 [0,1,0,1,0,0|2,0,0]=4 1267 B13R2.64 C1=CC(=CC=N1)OC2CCNC2 Z976691364 [0,1,0,1,0,0|2,0,0]=4 1268 B13R2.64 C1=CC(=CN=C1)OC2CCNC2 Z1095384991 [0,1,0,1,0,0|2,0,0]=4 1269 B13R2.64 C1=CC=C(C=C1)CC2=NCCN2 Z1255415487 [0,1,0,1,0,0|0,0,1]=3 1270 B13R2.64 C1=CC=C(C=C1)CC2CCCN2 Z237735126 [0,1,0,1,0,0|0,0,0]=2 1271 B13R2.64 C1=CC=C(C=C1)CC2CCNC2 Z979422194 [0,1,0,1,0,0|0,0,0]=2 1272 B13R2.64 C1=CC=C(C=C1)CN2CCCC2 Z54750390 [0,1,0,1,0,0|1,0,0]=3 1273 B13R2.64 C1=CC=C(C=C1)NC2CCCC2 Z334877896 [0,1,0,1,0,0|1,0,0]=3 1274 B13R2.64 C1=CC=C(C=C1)NC2CCNC2 Z970090328 [0,1,0,1,0,0|1,0,0]=3 1275 B13R2.64 C1=CC=C(C=C1)OC2CCNC2 Z975916118 [0,1,0,1,0,0|1,0,0]=3 1276 B13R2.64 C1=CN=C(C=C1)CN2CCCC2 Z232680510 [0,1,0,1,0,0|2,0,0]=4 1277 B13R2.64 C1=CN=C(C=C1)NC2CCCC2 Z31239725 [0,1,0,1,0,0|2,0,0]=4 1278 B13R2.64 C1=CN=C(C=C1)OC2CCNC2 Z976691504 [0,1,0,1,0,0|2,0,0]=4 1279 B13R2.67 C1=CC2=C(C=C1)CCNCCC2 Z1262566301 [0,1,0,1,0,0|1,0,0]=3 1280 B13R2.67 C1=CC2=C(C=C1)CNCCCC2 Z1262564835 [0,1,0,1,0,0|0,0,0]=2 1281 B13R2.67 C1=CC2=C(C=C1)NCCCCC2 Z1262691695 [0,1,0,1,0,0|0,0,0]=2 1282 B13R2.1613 CCC1CNCC2=C1C=CC=C2 Z3241258832 [0,1,0,1,0,0|1,0,0]=3 1283 B13R2.1613 CCC1NCCC2=C1C=CC=C2 Z1267881708 [0,1,0,1,0,0|1,0,0]=3 1284 B13R2.1613 CCN1CCNC2=C1C=CC=C2 Z568630904 [0,1,0,1,0,0|2,0,0]=4 1285 B13R2.1613 ClCC1=NCCC2=C1C=CC=C2 Z221421632 [0,1,0,1,0,0|1,0,1]=4 1286 B13R2.1613 N#CC1CCCC2=C1C=CC=C2 Z295443708 [0,1,0,1,0,0|0,0,1]=3 1287 B13R2.1613 N#CC1CCCC2=C1N=CC=C2 Z2935735751 [0,1,0,1,0,0|1,0,1]=4 1288 B13R2.1613 N#CC1CCOC2=C1C=CC=C2 Z415654798 [0,1,0,1,0,0|0,0,2]=4 1289 B13R2.1613 N/N=C\1/CCCC2=C1C=CC=C2 Z56931840 [0,1,0,1,0,0|0,0,1]=3 1290 B13R2.1613 NCC1CCCC2=C1C=CC=C2 Z234895145 [0,1,0,1,0,0|0,0,0]=2 1291 B13R2.1613 NCC1CCOC2=C1C=CC=C2 Z415655034 [0,1,0,1,0,0|0,0,0]=2 1292 B13R2.1613 NCC1COCC2=C1C=CC=C2 Z3476924979 [0,1,0,1,0,0|0,0,0]=2 1293 B13R2.1613 NCC1OCCC2=C1C=CC=C2 Z1695797895 [0,1,0,1,0,0|0,0,0]=2 1294 B13R2.1613 NCC1SCCC2=C1C=CC=C2 Z1262636262 [0,1,0,1,0,0|0,0,0]=2 1295 B13R2.1613 O=CC1CCCC2=C1C=CC=C2 Z1079132786 [0,1,0,1,0,0|1,0,0]=3 1296 B13R2.1613 O=CC1CCOC2=C1C=CC=C2 Z608061286 [0,1,0,1,0,0|1,0,1]=4 1297 B13R2.1613 O=CC1COCC2=C1C=CC=C2 Z1255449548 [0,1,0,1,0,0|1,0,1]=4 1298 B13R2.1613 O=CN1CCCC2=C1C=CC=C2 Z1258520825 [0,1,0,1,0,0|1,0,1]=4 1299 B13R2.1613 OCC1CCCC2=C1C=CC=C2 Z995212536 [0,1,0,1,0,0|1,0,0]=3 1300 B13R2.1613 OCC1CCCC2=C1N=CC=C2 Z1216823106 [0,1,0,1,0,0|2,0,0]=4 1301 B13R2.1613 OCC1CNCC2=C1C=CC=C2 Z2310716062 [0,1,0,1,0,0|1,0,0]=3 1302 B13R2.1613 OCC1NCCC2=C1C=CC=C2 Z1192380043 [0,1,0,1,0,0|1,0,0]=3 1303 B13R2.2382 C1=CC=C(C=C1)COCC2CO2 Z56346889 [0,1,0,1,0,0|1,0,0]=3 1304 B13R2.2382 C1=CC=C(C=C1)COC[C@@H]2CO2 Z1255431172 [0,1,0,1,0,0|1,0,0]=3 1305 B13R2.2382 C1=CC=C(C=C1)COC[C@H]2CO2 Z1171222157 [0,1,0,1,0,0|1,0,0]=3 1306 B13R2.2382 C1=CN=C(C=C1)CCNC2CC2 Z53117494 [0,1,0,1,0,0|2,0,0]=4 1307 B13R2.2383 C1=CC=C(C=C1)CCC2CNC2 Z2831439423 [0,1,0,1,0,0|0,0,0]=2 1308 B13R2.2383 C1=CC=C(C=C1)CNC2CCC2 Z3013892395 [0,1,0,1,0,0|1,0,0]=3 1309 B13R2.2383 C1=CC=C(C=C1)NCC2CCC2 Z685843986 [0,1,0,1,0,0|1,0,0]=3 1310 B13R2.5252 C=C1CCCOC2=C1C=CC=C2 Z1097113969 [0,1,0,1,0,0|1,0,1]=4 1311 B13R2.5252 CC1CCCNC2=C1C=CC=C2 Z1262580132 [0,1,0,1,0,0|0,0,0]=2 1312 B13R2.5252 CC1CNCCC2=C1C=CC=C2 Z1262566288 [0,1,0,1,0,0|1,0,0]=3 1313 B13R2.5252 CN1CCCNC2=C1C=CC=C2 Z1198237679 [0,1,0,1,0,0|1,0,0]=3 1314 B13R2.5252 CN1CCCNC2=C1C=CN=C2 Z1389344232 [0,1,0,1,0,0|2,0,0]=4 1315 B13R2.5252 CN1CCNCC2=C1C=CC=C2 Z1080670256 [0,1,0,1,0,0|1,0,0]=3 1316 B13R2.5252 NC1CCCOC2=C1C=CC=C2 Z382721416 [0,1,0,1,0,0|0,0,0]=2 1317 B13R2.5252 O=C1CCCCC2=C1C=CC=C2 Z56922160 [0,1,0,1,0,0|1,0,0]=3 1318 B13R2.5252 O=C1CCCOC2=C1C=CC=C2 Z382721394 [0,1,0,1,0,0|1,0,1]=4 1319 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 Z384973676 [0,1,0,1,0,0|1,0,1]=4 1320 B13R2.5252 O=C1CSCCC2=C1C=CC=C2 Z1407045833 [0,1,0,1,0,0|1,0,1]=4 1321 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 Z1201622867 [0,1,0,1,0,0|1,0,1]=4 1322 B13R2.5252 O=S1CCCNC2=C1C=CC=C2 Z1266856052 [0,1,0,1,0,0|1,0,0]=3 1323 B13R2.5252 OB1OCCCC2=C1C=CC=C2 Z4918189532 [0,1,0,1,0,0|2,0,0]=4 1324 B13R2.5252 OC1CCCCC2=C1C=CC=C2 Z228586126 [0,1,0,1,0,0|1,0,0]=3 1325 B13R2.5252 O[C@@H]1CCCSC2=C1C=CC=C2 Z1436075942 [0,1,0,1,0,0|1,0,0]=3 1326 B13R2.5252 O[C@H]1CCCSC2=C1C=CC=C2 Z1436075943 [0,1,0,1,0,0|1,0,0]=3 1327 B13R2.10 CC1CC(CN1)C2=CC=CC=C2 Z1203620755 [0,1,0,1,0,0|2,0,0]=4 1328 B13R2.10 FC1CNC(C1)C2=CC=CC=C2 Z2732815726 [0,1,0,1,0,0|0,0,0]=2 1329 B13R2.10 NC1=NC(CO1)C2=CC=CC=C2 Z1262629910 [0,1,0,1,0,0|1,0,1]=4 1330 B13R2.10 NC1=NCC(N1)C2=CC=CC=C2 Z4461628926 [0,1,0,1,0,0|1,0,1]=4 1331 B13R2.10 NC1=NN(CC1)C2=CC=CC=C2 Z57473788 [0,1,0,1,0,0|1,0,1]=4 1332 B13R2.10 NC1CCC(C1)C2=CC=CC=C2 Z1947438117 [0,1,0,1,0,0|0,0,0]=2 1333 B13R2.10 NC1CCN(C1)C2=CC=CC=C2 Z415647888 [0,1,0,1,0,0|1,0,0]=3 1334 B13R2.10 NC1CCN(C1)C2=NC=CC=C2 Z934137772 [0,1,0,1,0,0|2,0,0]=4 1335 B13R2.10 NC1COC(C1)C2=CC=CC=C2 Z4657508784 [0,1,0,1,0,0|1,0,0]=3 1336 B13R2.10 O=C1CCN(N1)C2=CC=CC=C2 Z104472448 [0,1,0,1,0,0|1,0,1]=4 1337 B13R2.10 O=C1NC(CO1)C2=CC=CC=C2 Z57199626 [0,1,0,1,0,0|1,0,1]=4 1338 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [0,1,0,1,0,0|1,0,1]=4 1339 B13R2.10 OC1CCN(C1)C2=CC=CC=C2 Z1198184574 [0,1,0,1,0,0|2,0,0]=4 1340 B13R2.10 OC1CNC(C1)C2=CC=CC=C2 Z2298064173 [0,1,0,1,0,0|0,0,0]=2 1341 B13R2.32 CC1CCC2=C(C1=O)C=CC=C2 Z854043700 [0,1,0,1,0,0|1,0,1]=4 1342 B13R2.32 CC1CCC2=C(C1N)C=CC=C2 Z1539988085 [0,1,0,1,0,0|0,0,0]=2 1343 B13R2.32 CC1COC2=C(C1O)C=CC=C2 Z1255453699 [0,1,0,1,0,0|2,0,0]=4 1344 B13R2.32 NC1C(=O)NCC2=C1C=CC=C2 Z3241255328 [0,1,0,1,0,0|1,0,1]=4 1345 B13R2.32 NC1C2=C(C=CC=C2)CCC1F Z2791719028 [0,1,0,1,0,0|0,0,0]=2 1346 B13R2.32 NC1C2=C(C=CC=C2)OCC1F Z2830459792 [0,1,0,1,0,0|1,0,0]=3 1347 B13R2.32 NC1CCC2=C(C1=O)C=CC=C2 Z1815149197 [0,1,0,1,0,0|1,0,1]=4 1348 B13R2.32 NC1COC2=C(C1O)C=CC=C2 Z2146515656 [0,1,0,1,0,0|2,0,0]=4 1349 B13R2.32 N[C@@H]1COC2=C([C@H]1O)C=CC=C2 Z4354027077 [0,1,0,1,0,0|2,0,0]=4 1350 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@@H]1O Z3070471251 [0,1,0,1,0,0|0,0,0]=2 1351 B13R2.32 N[C@H]1C2=C(C=CC=C2)CC[C@H]1O Z2901813806 [0,1,0,1,0,0|0,0,0]=2 1352 B13R2.32 N[C@H]1C2=C(C=CC=C2)OC[C@H]1O Z3212210130 [0,1,0,1,0,0|1,0,0]=3 1353 B13R2.32 O=C1C2=C(C=CC=C2)CCC1Cl Z854067262 [0,1,0,1,0,0|1,0,1]=4 1354 B13R2.33 CC1CCC2=C(C=CC=C2)NC1 Z5621098910 [0,1,0,1,0,0|0,0,0]=2 1355 B13R2.33 CC1CNC2=C(C=CC=C2)NC1 Z558512608 [0,1,0,1,0,0|1,0,0]=3 1356 B13R2.33 CC1CNC2=C(C=CC=C2)SC1 Z1521305259 [0,1,0,1,0,0|1,0,0]=3 1357 B13R2.33 CC1CSC2=C(C=CC=C2)CN1 Z1262585551 [0,1,0,1,0,0|2,0,0]=4 1358 B13R2.33 O=C1CCC2=C(C=CC=C2)CC1 Z2235810278 [0,1,0,1,0,0|1,0,1]=4 1359 B13R2.52 CNC1CC(C1)C2=CC=CC=C2 Z444333842 [0,1,0,1,0,0|2,0,0]=4 1360 B13R2.57 CCC1CC2=C(C=CC=C2)CN1 Z979717460 [0,1,0,1,0,0|2,0,0]=4 1361 B13R2.57 CCC1CCC2=C(N1)C=CC=C2 Z1198725492 [0,1,0,1,0,0|1,0,0]=3 1362 B13R2.57 CCC1CNC2=C(O1)C=CC=C2 Z1198339744 [0,1,0,1,0,0|2,0,0]=4 1363 B13R2.57 CCN1CCC2=C(C1)C=CC=C2 Z3070447746 [0,1,0,1,0,0|2,0,0]=4 1364 B13R2.57 CNC1CCC2=C(C1)C=CC=C2 Z102767748 [0,1,0,1,0,0|2,0,0]=4 1365 B13R2.57 ClCC1COC2=C(O1)C=CC=C2 Z56950531 [0,1,0,1,0,0|2,0,0]=4 1366 B13R2.57 NCC1=NC2=C(C=CC=C2)CN1 Z1250132657 [0,1,0,1,0,0|1,0,1]=4 1367 B13R2.57 NCC1CC2=C(C=CC=C2)CN1 Z2752198127 [0,1,0,1,0,0|1,0,0]=3 1368 B13R2.57 NCC1CCC2=C(N1)C=CC=C2 Z1263714153 [0,1,0,1,0,0|0,0,0]=2 1369 B13R2.57 NCC1COC2=C(C1)C=CC=C2 Z96093367 [0,1,0,1,0,0|1,0,0]=3 1370 B13R2.57 NCC1COC2=C(O1)C=CC=C2 Z316170312 [0,1,0,1,0,0|1,0,0]=3 1371 B13R2.57 NCC1CSC2=C(O1)C=CC=C2 Z2379088782 [0,1,0,1,0,0|1,0,0]=3 1372 B13R2.57 O=CC1CCC2=C(C1)C=CC=C2 Z1198168733 [0,1,0,1,0,0|1,0,1]=4 1373 B13R2.57 OCC1CNC2=C(C1)C=CC=C2 Z359510194 [0,1,0,1,0,0|2,0,0]=4 1374 B13R2.57 OCC1COC2=C(O1)C=CC=C2 Z56943727 [0,1,0,1,0,0|2,0,0]=4 1375 B13R2.57 OCC1CSC2=C(O1)C=CC=C2 Z916847050 [0,1,0,1,0,0|2,0,0]=4 1376 B13R2.57 OC[C@H]1CC2=C(C=CC=C2)CN1 Z1198160868 [0,1,0,1,0,0|2,0,0]=4 1377 B13R2.98 C[C@@]1(C[C@@H]1C2=CC=CC=C2)C=O Z2289709429 [0,1,0,1,0,0|1,0,1]=4 1378 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CN Z2216303059 [0,1,0,1,0,0|0,0,0]=2 1379 B13R2.98 C[C@]1(C[C@H]1C2=CC=CC=C2)CO Z2467454648 [0,1,0,1,0,0|1,0,0]=3 1380 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [0,1,0,1,0,0|1,0,1]=4 1381 B13R2.373 CC1C(CC1C2=CC=CC=C2)N Z1430540182 [0,1,0,1,0,0|1,0,0]=3 1382 B13R2.2531 CC1(COC2=C1C=CC=C2)CN Z5185116445 [0,1,0,1,0,0|1,0,0]=3 1383 B13R2.2531 NC1(CCC2=C1C=CC=C2)CO Z734150984 [0,1,0,1,0,0|1,0,0]=3 1384 B13R2.2531 NCC1(CCC2=C1C=CC=C2)O Z419084888 [0,1,0,1,0,0|0,0,0]=2 1385 B13R2.13 BrC1=CC(=CC=C1)C2CCCN2 Z295459704 [0,1,0,1,0,0|0,0,0]=2 1386 B13R2.13 BrC1=CC(=CC=C1)C2CCNC2 Z1269121156 [0,1,0,1,0,0|2,0,0]=4 1387 B13R2.13 BrC1=CC(=CC=C1)N2CCCC2 Z3234885511 [0,1,0,1,0,0|2,0,0]=4 1388 B13R2.13 CC1=CC(=CC=C1)C2=NCCN2 Z285049242 [0,1,0,1,0,0|1,0,1]=4 1389 B13R2.13 CC1=CC(=CC=C1)C2CCCN2 Z281773884 [0,1,0,1,0,0|0,0,0]=2 1390 B13R2.13 CC1=CC(=CC=C1)C2CCNC2 Z940902750 [0,1,0,1,0,0|2,0,0]=4 1391 B13R2.13 CC1=NC(=CC=C1)C2CCCN2 Z1198172911 [0,1,0,1,0,0|1,0,0]=3 1392 B13R2.13 ClC1=CC(=CC=C1)C2CCCN2 Z234895217 [0,1,0,1,0,0|0,0,0]=2 1393 B13R2.13 ClC1=CC(=CC=C1)C2CCNC2 Z2213893356 [0,1,0,1,0,0|2,0,0]=4 1394 B13R2.13 ClC1=CC(=CC=C1)[C@@H]2CCNC2 Z3490779832 [0,1,0,1,0,0|2,0,0]=4 1395 B13R2.13 ClC1=CC(=CC=C1)[C@H]2CCNC2 Z3492371639 [0,1,0,1,0,0|2,0,0]=4 1396 B13R2.13 FC1=CC(=CC=C1)C2CCCN2 Z752370692 [0,1,0,1,0,0|0,0,0]=2 1397 B13R2.13 FC1=CC(=CC=C1)C2CCNC2 Z940902748 [0,1,0,1,0,0|2,0,0]=4 1398 B13R2.13 IC1=CC(=CC=C1)C2CCCN2 Z362776598 [0,1,0,1,0,0|0,0,0]=2 1399 B13R2.13 IC1=CC(=CC=C1)N2CCCC2 Z1464059227 [0,1,0,1,0,0|2,0,0]=4 1400 B13R2.13 NC1=CC(=CC=C1)C2CCCC2 Z3490415509 [0,1,0,1,0,0|1,0,0]=3 1401 B13R2.13 NC1=CC(=CC=C1)C2SCCS2 Z147647290 [0,1,0,1,0,0|2,0,0]=4 1402 B13R2.13 NC1=CC(=CC=C1)N2CCCC2 Z111423446 [0,1,0,1,0,0|2,0,0]=4 1403 B13R2.13 NC1=NC(=NC=C1)C2CCCN2 Z3023922559 [0,1,0,1,0,0|2,0,0]=4 1404 B13R2.13 OC1=CC(=CC=C1)C2CCCC2 Z1485998351 [0,1,0,1,0,0|1,0,0]=3 1405 B13R2.13 OC1=CC(=CC=C1)C2CCNC2 Z2489057895 [0,1,0,1,0,0|2,0,0]=4 1406 B13R2.13 OC1=CC(=CC=C1)N2CCCC2 Z1198149223 [0,1,0,1,0,0|2,0,0]=4 1407 B13R2.13 OC1=NC(=NC=C1)C2CCCN2 Z3023350281 [0,1,0,1,0,0|2,0,0]=4 1408 B13R2.662 NCC1OCC2=C1C=CC(=C2)Cl Z4791662405 [0,1,0,1,0,0|1,0,0]=3 1409 B13R2.3021 BrC1=CC(=CC=C1)NC2CCC2 Z859815844 [0,1,0,1,0,0|2,0,0]=4 1410 B13R2.3021 FC1=CC(=CC=C1)CC2CNC2 Z1695669957 [0,1,0,1,0,0|2,0,0]=4 1411 B13R2.3021 NC1=CC(=CC=C1)OC2CCC2 Z1262643198 [0,1,0,1,0,0|2,0,0]=4 1412 B13R2.4818 CC1=C2C(=CC=C1)CCCC2N Z3759811786 [0,1,0,1,0,0|0,0,0]=2 1413 B13R2.4818 CC1=C2C(=CC=C1)OCCC2O Z1486034774 [0,1,0,1,0,0|2,0,0]=4 1414 B13R2.4818 CC1NCCC2=C1C(=CC=C2)Cl Z5254211497 [0,1,0,1,0,0|2,0,0]=4 1415 B13R2.4818 CC1NCCC2=C1C(=CC=C2)F Z1238511122 [0,1,0,1,0,0|2,0,0]=4 1416 B13R2.4818 CN1CCCC2=C1C(=CC=C2)N Z808240966 [0,1,0,1,0,0|2,0,0]=4 1417 B13R2.4818 NC1=C2C(=O)CCCC2=CC=C1 Z1198176378 [0,1,0,1,0,0|1,0,1]=4 1418 B13R2.4818 NC1=CC=CC2=C1C(CCC2)N Z2582206107 [0,1,0,1,0,0|0,0,0]=2 1419 B13R2.4818 NC1CCCC2=C1C(=CC=C2)F Z3765009163 [0,1,0,1,0,0|0,0,0]=2 1420 B13R2.5179 CC1=NC2=C(C=N1)C(CCC2)N Z905270722 [0,1,0,1,0,0|2,0,0]=4 1421 B13R2.5179 CC1CNCC2=C1C=CC(=C2)Br Z3013893906 [0,1,0,1,0,0|2,0,0]=4 1422 B13R2.5179 CC1NCCC2=C1C=CC(=C2)F Z1250089960 [0,1,0,1,0,0|2,0,0]=4 1423 B13R2.5179 CN1CCCC2=C1C=CC(=C2)N Z334596472 [0,1,0,1,0,0|2,0,0]=4 1424 B13R2.5179 NC1=CC2=C(C=C1)C(=O)CCC2 Z968852624 [0,1,0,1,0,0|1,0,1]=4 1425 B13R2.5179 NC1CCCC2=C1C=CC(=C2)O Z2867491070 [0,1,0,1,0,0|0,0,0]=2 1426 B13R2.5179 NC1CCOC2=C1C=CC(=C2)Cl Z2044769360 [0,1,0,1,0,0|1,0,0]=3 1427 B13R2.5179 N[C@@H]1CCCC2=C1C=CC(=C2)F Z1357774230 [0,1,0,1,0,0|0,0,0]=2 1428 B13R2.5179 N[C@@H]1CCOC2=C1C=CC(=C2)F Z2242076651 [0,1,0,1,0,0|1,0,0]=3 1429 B13R2.5179 N[C@H]1CCOC2=C1C=CC(=C2)F Z2440429201 [0,1,0,1,0,0|1,0,0]=3 1430 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)F Z1198183228 [0,1,0,1,0,0|1,0,1]=4 1431 B13R2.5179 O=C1CCCC2=C1C=CC(=C2)O Z877546758 [0,1,0,1,0,0|1,0,1]=4 1432 B13R2.5179 OC1CCCC2=C1C=CC(=C2)F Z1255366926 [0,1,0,1,0,0|1,0,0]=3 1433 B13R2.5331 BrC1=CC(=CC=C1)CNC2CC2 Z857667052 [0,1,0,1,0,0|2,0,0]=4 1434 B13R2.5331 BrC1=CC(=CC=C1)OCC2CO2 Z104493088 [0,1,0,1,0,0|2,0,0]=4 1435 B13R2.5331 CC1=CC(=CC=C1)CNC2CC2 Z86138915 [0,1,0,1,0,0|2,0,0]=4 1436 B13R2.5331 CC1=CC(=CC=C1)OCC2CO2 Z56346887 [0,1,0,1,0,0|2,0,0]=4 1437 B13R2.5331 ClC1=CC(=CC=C1)OCC2CO2 Z147642766 [0,1,0,1,0,0|2,0,0]=4 1438 B13R2.5331 FC1=CC(=CC=C1)CNC2CC2 Z86138908 [0,1,0,1,0,0|2,0,0]=4 1439 B13R2.5331 FC1=CC(=CC=C1)NCC2CC2 Z2690049495 [0,1,0,1,0,0|2,0,0]=4 1440 B13R2.5331 NC1=CC(=CC=C1)NCC2CC2 Z376447578 [0,1,0,1,0,0|2,0,0]=4 1441 B13R2.5331 OC1=CC(=CC=C1)CNC2CC2 Z86138909 [0,1,0,1,0,0|2,0,0]=4 1442 B13R2.5331 OC1=CC(=CC=C1)NCC2CC2 Z445154558 [0,1,0,1,0,0|2,0,0]=4 1443 B13R2.223 CC1(CCNC1)C2=CC=CC=C2 Z979421388 [0,1,0,1,0,0|2,0,0]=4 1444 B13R2.223 FC1(CCNC1)C2=CC=CC=C2 Z2009833144 [0,1,0,1,0,0|2,0,0]=4 1445 B13R2.223 NC1(CCCC1)C2=CC=CC=C2 Z381654396 [0,1,0,1,0,0|1,0,0]=3 1446 B13R2.223 NC1(CCNC1)C2=CC=CC=C2 Z2967366647 [0,1,0,1,0,0|2,0,0]=4 1447 B13R2.223 NC1(CCOC1)C2=CC=CC=C2 Z3323267062 [0,1,0,1,0,0|2,0,0]=4 1448 B13R2.223 OC1(CCCC1)C2=CC=CC=C2 Z449370860 [0,1,0,1,0,0|1,0,0]=3 1449 B13R2.223 OC1(CCNC1)C2=CC=CC=C2 Z3864242940 [0,1,0,1,0,0|2,0,0]=4 1450 B13R2.371 CC1CCC(=O)C2=C1C=CC=C2 Z1255449974 [0,1,0,1,0,0|1,0,1]=4 1451 B13R2.371 CC1CCC(C2=C1C=CC=C2)N Z1262645009 [0,1,0,1,0,0|0,0,0]=2 1452 B13R2.371 NC1CCC(=O)C2=C1C=CC=C2 Z1443588580 [0,1,0,1,0,0|0,0,1]=3 1453 B13R2.382 CC1CC1C(N)C2=CC=CC=C2 Z1695797918 [0,1,0,1,0,0|1,0,0]=3 1454 B13R2.413 CC1(CCC1N)C2=CC=CC=C2 Z1813195198 [0,1,0,1,0,0|0,0,0]=2 1455 B13R2.690 CC(NC1CC1)C2=CC=CC=C2 Z2065464367 [0,1,0,1,0,0|2,0,0]=4 1456 B13R2.690 NC(CC1CC1)C2=CC=CC=C2 Z826524146 [0,1,0,1,0,0|1,0,0]=3 1457 B13R2.690 O=C(CC1CC1)C2=CC=CC=C2 Z826523958 [0,1,0,1,0,0|1,0,1]=4 1458 B13R2.690 OC(CC1CO1)C2=CC=CC=C2 Z1400655261 [0,1,0,1,0,0|1,0,0]=3 1459 B13R2.2931 NCC1NC(=O)C2=C1C=CC=C2 Z3327074187 [0,1,0,1,0,0|1,0,1]=4 1460 B13R2.2931 NCC1OB(C2=C1C=CC=C2)O Z2469628196 [0,1,0,1,0,0|2,0,0]=4 1461 B13R2.2931 N[C@@H]1C[C@@H](C2=C1C=CC=C2)CO Z2786644766 [0,1,0,1,0,0|1,0,0]=3 1462 B13R2.8137 NC(C1=CC=CC=C1)C2CCC2 Z3244520377 [0,1,0,1,0,0|1,0,0]=3 1463 B13R2.8137 NC(C1=CC=NC=C1)C2CCC2 Z2758289257 [0,1,0,1,0,0|2,0,0]=4 1464 B13R2.26 NCCC1=CC2=C(N1)C=CC=C2 Z1198165410 [0,1,0,1,0,0|0,0,2]=4 1465 B13R2.26 NCCC1=CC2=C(O1)C=CC=C2 Z1250132703 [0,1,0,1,0,0|0,0,2]=4 1466 B13R2.26 NCCC1=NC2=C(N1)C=CC=C2 Z90666847 [0,1,0,1,0,0|1,0,1]=4 1467 B13R2.26 NCCC1=NC2=C(S1)C=CC=C2 Z235314939 [0,1,0,1,0,0|1,0,1]=4 1468 B13R2.26 NCCC1CC2=C(C1)C=CC=C2 Z851015128 [0,1,0,1,0,0|0,0,0]=2 1469 B13R2.26 NCCN1CC2=C(C1)C=CC=C2 Z823287506 [0,1,0,1,0,0|1,0,0]=3 1470 B13R2.26 OCCN1CC2=C(C1)C=CC=C2 Z1267773680 [0,1,0,1,0,0|2,0,0]=4 1471 B13R2.31 NC1CC(C1)NC2=CC=CC=C2 Z2753743538 [0,1,0,1,0,0|1,0,0]=3 1472 B13R2.31 N[C@H]1C[C@@H](C1)CC2=CC=CC=C2 Z5336692620 [0,1,0,1,0,0|0,0,0]=2 1473 B13R2.31 O=C1CC(N1)CC2=CC=CC=C2 Z1198168168 [0,1,0,1,0,0|0,0,1]=3 1474 B13R2.31 OC1CC(C1)CC2=CC=CC=C2 Z1551917814 [0,1,0,1,0,0|1,0,0]=3 1475 B13R2.31 O[C@H]1C[C@H](C1)SC2=CC=CC=C2 Z2690875271 [0,1,0,1,0,0|2,0,0]=4 1476 B13R2.135 CN[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4716420151 [0,1,0,1,0,0|2,0,0]=4 1477 B13R2.163 CC1CCNC2=C(N1)C=CC=C2 Z1258763758 [0,1,0,1,0,0|1,0,0]=3 1478 B13R2.163 CC1CCNC2=C(S1)C=CC=C2 Z56347587 [0,1,0,1,0,0|1,0,0]=3 1479 B13R2.163 CC1CNCC2=C(O1)C=CC=C2 Z2197092164 [0,1,0,1,0,0|2,0,0]=4 1480 B13R2.163 CN1CCNC2=C(C1)C=CC=C2 Z1098230405 [0,1,0,1,0,0|1,0,0]=3 1481 B13R2.163 O=C1CCCC2=C(C1)C=CC=C2 Z1255446913 [0,1,0,1,0,0|1,0,1]=4 1482 B13R2.163 O=C1CCCC2=C(N1)C=CC=C2 Z362764922 [0,1,0,1,0,0|0,0,1]=3 1483 B13R2.163 O=C1CCCC2=C(N1)C=CC=N2 Z1216823228 [0,1,0,1,0,0|1,0,1]=4 1484 B13R2.163 O=C1CCNC2=C(N1)C=CC=C2 Z57069349 [0,1,0,1,0,0|1,0,1]=4 1485 B13R2.163 O=C1CCOC2=C(N1)C=CC=C2 Z424764630 [0,1,0,1,0,0|1,0,1]=4 1486 B13R2.163 O=C1CCSC2=C(N1)C=CC=C2 Z99598958 [0,1,0,1,0,0|1,0,1]=4 1487 B13R2.163 O=C1CSCC2=C(N1)C=CC=C2 Z1198161340 [0,1,0,1,0,0|1,0,1]=4 1488 B13R2.197 C[C@@H]1C[C@@]1(N)CC2=CC=CC=C2 Z3487486148 [0,1,0,1,0,0|1,0,0]=3 1489 B13R2.221 NC1(CCC1)CC2=CC=CC=C2 Z1428160831 [0,1,0,1,0,0|1,0,0]=3 1490 B13R2.328 CN1CC(CC2=C1C=CC=C2)N Z2310670953 [0,1,0,1,0,0|2,0,0]=4 1491 B13R2.444 NC(CC1=CC=CC=C1)C2CC2 Z1695784318 [0,1,0,1,0,0|1,0,0]=3 1492 B13R2.444 O=C(CC1=CC=CC=C1)C2CC2 Z513735694 [0,1,0,1,0,0|1,0,1]=4 1493 B13R2.72 CC(N)C1COC2=C1C=CC=C2 Z1493816383 [0,1,0,1,0,0|1,0,0]=3 1494 B13R2.72 NC(=O)C1CCC2=C1C=CC=C2 Z1127744301 [0,1,0,1,0,0|0,0,1]=3 1495 B13R2.72 NC(=O)C1CNC2=C1C=CC=C2 Z1117856057 [0,1,0,1,0,0|1,0,1]=4 1496 B13R2.72 NC(=O)N1CCC2=C1C=CC=C2 Z198194398 [0,1,0,1,0,0|1,0,1]=4 1497 B13R2.72 O=C(O)C1CCC2=C1C=CC=C2 Z792377300 [0,1,0,1,0,0|1,0,1]=4 1498 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 Z1198162290 [0,1,0,1,0,0|1,0,1]=4 1499 B13R2.423 O=C(O)[C@@H]1C[C@H]1C2=CC=CC=C2 Z2235584851 [0,1,0,1,0,0|1,0,1]=4 1500 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CC=CC=C2 Z1235967724 [0,1,0,1,0,0|1,0,1]=4 1501 B13R2.423 O=C(O)[C@H]1C[C@H]1C2=CC=CC=C2 Z1262510970 [0,1,0,1,0,0|1,0,1]=4 1502 B13R2.3122 CC1(CCCC2=C1C=CC=C2)N Z1258542936 [0,1,0,1,0,0|0,0,0]=2 1503 B13R2.3122 CC1(CCNC2=C1C=CC=C2)C Z1255447045 [0,1,0,1,0,0|2,0,0]=4 1504 B13R2.3122 CC1(CCOC2=C1C=CC=C2)C Z1255441405 [0,1,0,1,0,0|2,0,0]=4 1505 B13R2.3122 CC1(CCOC2=C1C=CC=C2)N Z2896336823 [0,1,0,1,0,0|1,0,0]=3 1506 B13R2.3122 CC1(CNCC2=C1C=CC=C2)C Z1198176426 [0,1,0,1,0,0|2,0,0]=4 1507 B13R2.3122 CC1(NCCC2=C1C=CC=C2)C Z1587257432 [0,1,0,1,0,0|2,0,0]=4 1508 B13R2.3122 FC1(CNCC2=C1C=CC=C2)F Z1474026092 [0,1,0,1,0,0|2,0,0]=4 1509 B13R2.9 N#CC1CCC2=C(C=CC=C12)Br Z1269141800 [0,1,0,1,0,0|0,0,2]=4 1510 B13R2.9 NCC1CCC2=C(C=CC=C12)Br Z4953320788 [0,1,0,1,0,0|0,0,0]=2 1511 B13R2.18 BrC1=C(C=CC=C1)C2CCCN2 Z1407007541 [0,1,0,1,0,0|0,0,0]=2 1512 B13R2.18 CC1=C(C=CC=C1)C2CCNC2 Z940902788 [0,1,0,1,0,0|2,0,0]=4 1513 B13R2.18 ClC1=C(C=CC=C1)C2CCCN2 Z281773778 [0,1,0,1,0,0|0,0,0]=2 1514 B13R2.18 FC1=C(C=CC=C1)C2CCNC2 Z1266823224 [0,1,0,1,0,0|2,0,0]=4 1515 B13R2.18 IC1=C(C=CC=C1)C2CCCN2 Z281773830 [0,1,0,1,0,0|0,0,0]=2 1516 B13R2.18 NC1=C(C=CC=C1)C2CCOC2 Z1486008432 [0,1,0,1,0,0|2,0,0]=4 1517 B13R2.18 NC1=C(C=CC=C1)N2CCCC2 Z57047011 [0,1,0,1,0,0|2,0,0]=4 1518 B13R2.18 OC1=C(C=CC=C1)C2C=CCC2 Z56872352 [0,1,0,1,0,0|1,0,1]=4 1519 B13R2.215 NC1CCC1C2=C(C=CC=C2)Cl Z1695906760 [0,1,0,1,0,0|0,0,0]=2 1520 B13R2.342 CC1=C2CCCC(=O)C2=CC=C1 Z1198176374 [0,1,0,1,0,0|1,0,1]=4 1521 B13R2.342 CC1=C2OCCC(C2=CC=C1)N Z382721020 [0,1,0,1,0,0|1,0,0]=3 1522 B13R2.342 CC1=CC=CC2=C1NCCC2C Z1198183889 [0,1,0,1,0,0|2,0,0]=4 1523 B13R2.342 CC1CCNC2=C1C=CC=C2O Z1718362003 [0,1,0,1,0,0|2,0,0]=4 1524 B13R2.342 CC1NCCC2=C1C=CC=C2Cl Z5423683261 [0,1,0,1,0,0|2,0,0]=4 1525 B13R2.342 CN1CCCC2=C1C=CC=C2N Z993967008 [0,1,0,1,0,0|2,0,0]=4 1526 B13R2.342 NC1=C2CCCC(=O)C2=CC=C1 Z1198176542 [0,1,0,1,0,0|1,0,1]=4 1527 B13R2.342 NC1=C2OCCC(C2=CC=C1)O Z1463271034 [0,1,0,1,0,0|2,0,0]=4 1528 B13R2.342 NC1CCCC2=C1C=CC=C2F Z2230911457 [0,1,0,1,0,0|0,0,0]=2 1529 B13R2.342 NC1CCCC2=C1C=CC=C2O Z1262626223 [0,1,0,1,0,0|0,0,0]=2 1530 B13R2.342 NC1CCOC2=C1C=CC=C2Cl Z815264240 [0,1,0,1,0,0|1,0,0]=3 1531 B13R2.342 NC1CCOC2=C1C=CC=C2F Z803129962 [0,1,0,1,0,0|1,0,0]=3 1532 B13R2.342 NC1CCSC2=C1C=CC=C2F Z140937306 [0,1,0,1,0,0|1,0,0]=3 1533 B13R2.342 O=C1CCCC2=C(C=CC=C12)Cl Z1139186156 [0,1,0,1,0,0|1,0,1]=4 1534 B13R2.342 OC1=CC=CC2=C1CCCC2O Z104511134 [0,1,0,1,0,0|1,0,0]=3 1535 B13R2.342 OC1CCOC2=C1C=CC=C2Cl Z1255439653 [0,1,0,1,0,0|2,0,0]=4 1536 B13R2.342 O[C@@H]1CCOC2=C1C=CC=C2F Z959151608 [0,1,0,1,0,0|2,0,0]=4 1537 B13R2.342 O[C@H]1CCOC2=C1C=CC=C2F Z959151606 [0,1,0,1,0,0|2,0,0]=4 1538 B13R2.3587 BrC1=C(C=CC=C1)CNC2CC2 Z86138922 [0,1,0,1,0,0|2,0,0]=4 1539 B13R2.3587 CC1=C(C=CC=C1)OCC2CO2 Z56346888 [0,1,0,1,0,0|2,0,0]=4 1540 B13R2.3587 ClC1=C(C=CC=C1)CNC2CC2 Z3178895222 [0,1,0,1,0,0|2,0,0]=4 1541 B13R2.3587 ClC1=C(C=CC=C1)OCC2CO2 Z147642764 [0,1,0,1,0,0|2,0,0]=4 1542 B13R2.3587 FC1=C(C=CC=C1)OCC2CO2 Z55928957 [0,1,0,1,0,0|2,0,0]=4 1543 B13R2.3587 NC1=C(C=CC=C1)OCC2CC2 Z332379354 [0,1,0,1,0,0|2,0,0]=4 1544 B13R2.5225 BrC1=C(C=CC=C1)NC2CCC2 Z3223850159 [0,1,0,1,0,0|2,0,0]=4 1545 B13R2.5225 ClC1=C(C=CC=C1)CC2CNC2 Z1272948979 [0,1,0,1,0,0|2,0,0]=4 1546 B13R2.5225 FC1=C(C=CC=C1)CC2CNC2 Z1270502317 [0,1,0,1,0,0|2,0,0]=4 1547 B13R2.5225 IC1=C(C=CC=C1)NC2CCC2 Z4034735916 [0,1,0,1,0,0|2,0,0]=4 1548 B13R3.1962 C1=CC2=C(C=C1)C3C=CC2N3 Z4500621764 [0,0,0,2,0,0|0,0,2]=4 1549 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 Z2242191032 [0,0,0,2,0,0|0,0,0]=2 1550 B13R3.3800 N[C@@H]1[C@@H]2[C@H]1C3=C(C2)C=CC=C3 Z2888819437 [0,0,0,2,0,0|0,0,0]=2 1551 B13R3.28 C1=CC2=C(C=C1)[C@@H]3O[C@@H]3CC2 Z3177279256 [0,0,0,2,0,0|1,0,0]=3 1552 B9R1.12 CCCCC1=CN=CO1 Z2520746593 [1,0,0,0,1,0|2,0,0]=4 1553 B9R1.12 CCNCC1=CC=CO1 Z90513169 [1,0,0,0,1,0|2,0,0]=4 1554 B9R1.12 CCNCC1=COC=C1 Z385447452 [1,0,0,0,1,0|2,0,0]=4 1555 B9R1.12 CNCCC1=CC=CS1 Z162416950 [1,0,0,0,1,0|2,0,0]=4 1556 B9R1.12 NCCCC1=CC=NN1 Z2895332060 [1,0,0,0,1,0|2,0,0]=4 1557 B9R1.12 NCCCC1=CNC=N1 Z2574933947 [1,0,0,0,1,0|2,0,0]=4 1558 B9R1.12 NCCCC1=CNN=C1 Z2106603664 [1,0,0,0,1,0|2,0,0]=4 1559 B9R1.12 NCCCC1=CON=C1 Z3022047352 [1,0,0,0,1,0|2,0,0]=4 1560 B9R1.12 NCCCC1=NC=CN1 Z3244743443 [1,0,0,0,1,0|2,0,0]=4 1561 B9R1.12 NCCCC1=NC=CO1 Z4966451613 [1,0,0,0,1,0|2,0,0]=4 1562 B9R1.12 NCCCC1=NC=CS1 Z1263529635 [1,0,0,0,1,0|2,0,0]=4 1563 B9R1.12 NCCCN1C=CC=C1 Z600497510 [1,0,0,0,1,0|1,0,0]=3 1564 B9R1.12 NCCCN1C=CC=N1 Z271005716 [1,0,0,0,1,0|2,0,0]=4 1565 B9R1.12 OCCCC1=COC=C1 Z1198265634 [1,0,0,0,1,0|2,0,0]=4 1566 B9R1.12 OCCCC1=CSC=C1 Z993012564 [1,0,0,0,1,0|2,0,0]=4