0 B10R1.17 BrCCOC1=CC=CC=C1 Z56950513 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 CCCCC1=CC=CC=C1 Z104492496 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 CCCNC1=CN=CC=C1 Z334882412 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 CCCOC1=NC=CN=C1 Z2182020100 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.17 CCCSC1=NC=CC=N1 Z18380759 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.17 CCNCC1=CC=CC=C1 Z57327176 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.17 CCNCC1=CC=NC=C1 Z57327181 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 CCNCC1=NC=CC=C1 Z90513146 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 CCSCC1=NC=CC=C1 Z1607601848 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 CNCCC1=CC=CC=C1 Z445226260 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.17 CNCCC1=CC=NC=C1 Z235580560 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 CNCCC1=CN=CC=C1 Z2418466818 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.17 CNCCC1=NC=CC=C1 Z2238930991 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.17 CNCCC1=NC=CC=N1 Z3023337072 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.17 COCCC1=CC=CC=C1 Z104494216 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.17 N#CCCC1=CC=CC=C1 Z104507980 [0,0,0,0,0,0|0,0,2]=2 16 B10R1.17 N#CCNC1=CC=CC=C1 Z56347332 [0,0,0,0,0,0|1,0,2]=3 17 B10R1.17 N#CCNC1=NC=CC=C1 Z1203732480 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.17 N#CCOC1=CC=CC=C1 Z53792061 [0,0,0,0,0,0|1,0,2]=3 19 B10R1.17 N#CCSC1=CC=CC=C1 Z19751391 [0,0,0,0,0,0|1,0,2]=3 20 B10R1.17 N#CCSC1=NC=CC=C1 Z54336898 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.17 NC/C=C/C1=CC=CC=C1 Z2953771905 [0,0,0,0,0,0|0,0,2]=2 22 B10R1.17 NC/C=C/C1=CN=CC=C1 Z2216303151 [0,0,0,0,0,0|1,0,2]=3 23 B10R1.17 NCC#CC1=CC=CC=C1 Z227964210 [0,0,0,0,0,0|0,0,2]=2 24 B10R1.17 NCC#CC1=NC=CC=C1 Z1456201642 [0,0,0,0,0,0|1,0,2]=3 25 B10R1.17 NCCCC1=CC=CC=C1 Z104478312 [0,0,0,0,0,0|0,0,0]=0 26 B10R1.17 NCCCC1=CN=CC=C1 Z3058301115 [0,0,0,0,0,0|1,0,0]=1 27 B10R1.17 NCCCC1=CN=NC=C1 Z3270187722 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.17 NCCCC1=NC=CC=C1 Z600381818 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.17 NCCCC1=NC=CN=C1 Z1474025943 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.17 NCCNC1=CC=NC=C1 Z317257862 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.17 NCCNC1=NC=CC=C1 Z85923460 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.17 NCCNC1=NC=CC=N1 Z381428982 [0,0,0,0,0,0|3,0,0]=3 33 B10R1.17 NCCNC1=NN=CC=C1 Z991530796 [0,0,0,0,0,0|3,0,0]=3 34 B10R1.17 NCCOC1=CC=CC=C1 Z355423232 [0,0,0,0,0,0|1,0,0]=1 35 B10R1.17 NCCOC1=CC=NC=C1 Z3243651499 [0,0,0,0,0,0|2,0,0]=2 36 B10R1.17 NCCOC1=CN=CC=C1 Z429662874 [0,0,0,0,0,0|2,0,0]=2 37 B10R1.17 NCCOC1=NC=CC=N1 Z4381809298 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.17 NCCSC1=CC=CC=C1 Z57970213 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.17 NNCCC1=CC=CC=C1 Z927192062 [0,0,0,0,0,0|1,0,0]=1 40 B10R1.17 O=C/C=C/C1=CC=CC=C1 Z3219847383 [0,0,0,0,0,0|1,0,3]=4 41 B10R1.17 O=CC#CC1=CC=CC=C1 Z1255485337 [0,0,0,0,0,0|1,0,3]=4 42 B10R1.17 O=CCCC1=CC=CC=C1 Z87002472 [0,0,0,0,0,0|1,0,1]=2 43 B10R1.17 O=CCCC1=CC=NC=C1 Z1070006438 [0,0,0,0,0,0|2,0,1]=3 44 B10R1.17 O=CCCC1=CN=CC=C1 Z1198276578 [0,0,0,0,0,0|2,0,1]=3 45 B10R1.17 O=CCCC1=NC=CC=C1 Z1079158816 [0,0,0,0,0,0|2,0,1]=3 46 B10R1.17 O=CCOC1=CC=CC=C1 Z854102570 [0,0,0,0,0,0|2,0,1]=3 47 B10R1.17 O=CCOC1=NC=CC=C1 Z1255434510 [0,0,0,0,0,0|3,0,1]=4 48 B10R1.17 O=CNCC1=CC=CC=C1 Z1203730748 [0,0,0,0,0,0|2,0,1]=3 49 B10R1.17 O=CNNC1=CC=CC=C1 Z1198148433 [0,0,0,0,0,0|3,0,1]=4 50 B10R1.17 OC/C=C/C1=CC=CC=C1 Z104473562 [0,0,0,0,0,0|1,0,2]=3 51 B10R1.17 OCC#CC1=NC=CC=C1 Z1143356057 [0,0,0,0,0,0|2,0,2]=4 52 B10R1.17 OCCCC1=CC=CC=C1 Z104476660 [0,0,0,0,0,0|1,0,0]=1 53 B10R1.17 OCCCC1=CC=NC=C1 Z104475752 [0,0,0,0,0,0|2,0,0]=2 54 B10R1.17 OCCCC1=CN=CC=C1 Z104479004 [0,0,0,0,0,0|2,0,0]=2 55 B10R1.17 OCCCC1=NC=NC=C1 Z2044799287 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.17 OCCNC1=CC=NC=C1 Z359301874 [0,0,0,0,0,0|3,0,0]=3 57 B10R1.17 OCCNC1=NC=CC=C1 Z31212159 [0,0,0,0,0,0|3,0,0]=3 58 B10R1.17 OCCNC1=NC=CC=N1 Z31212160 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.17 OCCNC1=NC=CN=C1 Z31212301 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.17 OCCNC1=NN=CC=C1 Z991531008 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.17 OCCOC1=CC=CC=C1 Z104473570 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.17 OCCOC1=CN=CC=C1 Z1180078238 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.17 OCCSC1=CC=CC=C1 Z149157348 [0,0,0,0,0,0|2,0,0]=2 64 B10R1.17 S=C=NCC1=CC=CC=C1 Z56869309 [0,0,0,0,0,0|2,0,1]=3 65 B9R1.8 CCCC1=CC=CC=C1 Z104479154 [1,0,0,0,0,0|0,0,0]=1 66 B9R1.8 CCCC1=NC=CC=C1 Z1255434741 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.8 CCCC1=NN=CC=C1 Z1486025396 [1,0,0,0,0,0|2,0,0]=3 68 B9R1.8 CCNC1=CC=CC=C1 Z104472482 [1,0,0,0,0,0|1,0,0]=2 69 B9R1.8 CCNC1=CC=NC=C1 Z359297730 [1,0,0,0,0,0|2,0,0]=3 70 B9R1.8 CCNC1=CN=CC=C1 Z334882416 [1,0,0,0,0,0|2,0,0]=3 71 B9R1.8 CCNC1=NN=CC=C1 Z991530898 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.8 CCSC1=CC=NC=C1 Z1376454759 [1,0,0,0,0,0|2,0,0]=3 73 B9R1.8 CNCC1=CC=NC=C1 Z57390007 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.8 CNCC1=CN=CC=C1 Z56963341 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.8 CNCC1=NC=CC=N1 Z2310727788 [1,0,0,0,0,0|3,0,0]=4 76 B9R1.8 CNCC1=NC=CN=C1 Z385447136 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.8 CNCC1=NC=NC=C1 Z2871313713 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.8 CSCC1=CN=CC=C1 Z599631354 [1,0,0,0,0,0|2,0,0]=3 79 B9R1.8 N#CCC1=CN=CC=C1 Z239871646 [1,0,0,0,0,0|1,0,2]=4 80 B9R1.8 N#CCC1=NC=CC=C1 Z104476888 [1,0,0,0,0,0|1,0,2]=4 81 B9R1.8 N#COC1=CC=CC=C1 Z1198165353 [1,0,0,0,0,0|1,0,2]=4 82 B9R1.8 NCCC1=CC=NC=C1 Z241056520 [1,0,0,0,0,0|1,0,0]=2 83 B9R1.8 NCCC1=CN=CC=C1 Z241056524 [1,0,0,0,0,0|1,0,0]=2 84 B9R1.8 NCCC1=CN=NC=C1 Z3070743015 [1,0,0,0,0,0|2,0,0]=3 85 B9R1.8 NCCC1=NC=CC=C1 Z104478200 [1,0,0,0,0,0|1,0,0]=2 86 B9R1.8 NCCC1=NC=CN=C1 Z1925930460 [1,0,0,0,0,0|2,0,0]=3 87 B9R1.8 NCCC1=NC=NC=C1 Z2935002210 [1,0,0,0,0,0|2,0,0]=3 88 B9R1.8 NNCC1=CC=CC=C1 Z56969306 [1,0,0,0,0,0|1,0,0]=2 89 B9R1.8 NNCC1=CN=CC=C1 Z370706826 [1,0,0,0,0,0|2,0,0]=3 90 B9R1.8 NOCC1=CC=CC=C1 Z90668722 [1,0,0,0,0,0|1,0,0]=2 91 B9R1.8 O=CCC1=CC=CC=C1 Z104472146 [1,0,0,0,0,0|1,0,1]=3 92 B9R1.8 OCCC1=CC=CC=C1 Z104473586 [1,0,0,0,0,0|1,0,0]=2 93 B9R1.8 OCCC1=CN=CC=C1 Z992949518 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.8 OCCC1=NC=CC=C1 Z104473592 [1,0,0,0,0,0|2,0,0]=3 95 B9R1.8 OCCC1=NC=CN=C1 Z234895105 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.8 OCCC1=NC=NC=C1 Z1250886882 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.8 S=C=NC1=CC=CC=C1 Z56904678 [1,0,0,0,0,0|2,0,1]=4 98 B11R1.1 BrCCOC1=CC=C(C=C1)Br Z56887702 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.1 C#CCNC1=CC=C(C=C1)C Z266486858 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.1 C#CCNC1=CC=C(C=C1)Cl Z3210379676 [0,1,0,0,0,0|2,0,1]=4 101 B11R1.1 C#CCNC1=CC=C(C=C1)F Z3210380008 [0,1,0,0,0,0|2,0,1]=4 102 B11R1.1 C#CCOC1=CC=C(C=C1)Br Z54475590 [0,1,0,0,0,0|2,0,1]=4 103 B11R1.1 C#CCOC1=CC=C(C=C1)C Z54775509 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.1 C#CCOC1=CC=C(C=C1)Cl Z54472184 [0,1,0,0,0,0|2,0,1]=4 105 B11R1.1 C#CCOC1=CC=C(C=C1)F Z54473259 [0,1,0,0,0,0|2,0,1]=4 106 B11R1.1 C#CCOC1=CC=C(C=C1)N Z730512948 [0,1,0,0,0,0|2,0,1]=4 107 B11R1.1 C=CCOC1=CC=C(C=C1)O Z381414818 [0,1,0,0,0,0|2,0,1]=4 108 B11R1.1 CC1=CC=C(C=C1)CCCN Z4639316723 [0,1,0,0,0,0|0,0,0]=1 109 B11R1.1 CC1=CC=C(C=C1)NCC#N Z56855172 [0,1,0,0,0,0|1,0,2]=4 110 B11R1.1 CC1=CC=C(C=C1)OCCBr Z56886357 [0,1,0,0,0,0|2,0,0]=3 111 B11R1.1 CC1=CC=C(C=C1)OCCN Z54747869 [0,1,0,0,0,0|1,0,0]=2 112 B11R1.1 CC1=CC=C(C=C1)SCC#N Z54591058 [0,1,0,0,0,0|1,0,2]=4 113 B11R1.1 CC1=CC=C(C=C1)SCCCl Z90122598 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.1 CC1=CC=C(C=C1)SCCO Z149178580 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.1 CC1=CN=C(C=C1)NCCN Z1695797833 [0,1,0,0,0,0|2,0,0]=3 116 B11R1.1 CC1=NC=C(C=C1)CCC=O Z1233208116 [0,1,0,0,0,0|2,0,1]=4 117 B11R1.1 CC1=NN=C(C=C1)NCCN Z1263529623 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.1 CCCCC1=CC=C(C=C1)N Z104475500 [0,1,0,0,0,0|1,0,0]=2 119 B11R1.1 CCCCC1=CN=C(N=C1)N Z1137168332 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.1 CCCCC1=NC=C(C=N1)N Z1318447164 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.1 CCCNC1=CC=C(C=C1)Cl Z1266933829 [0,1,0,0,0,0|2,0,0]=3 122 B11R1.1 CCCOC1=CC=C(C=C1)N Z239604724 [0,1,0,0,0,0|2,0,0]=3 123 B11R1.1 CCNCC1=CC=C(C=C1)F Z3244655509 [0,1,0,0,0,0|2,0,0]=3 124 B11R1.1 CCOCC1=CC=C(C=C1)Br Z823854370 [0,1,0,0,0,0|2,0,0]=3 125 B11R1.1 CCOCC1=CC=C(C=C1)N Z240084570 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.1 CCSCC1=CC=C(C=C1)N Z332378208 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.1 CNCCC1=CC=C(C=C1)Br Z385447024 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.1 CNCCC1=CC=C(C=C1)C Z5115849578 [0,1,0,0,0,0|2,0,0]=3 129 B11R1.1 CNCCC1=CC=C(C=C1)Cl Z1623872266 [0,1,0,0,0,0|2,0,0]=3 130 B11R1.1 CNCCC1=CC=C(C=C1)F Z138454998 [0,1,0,0,0,0|2,0,0]=3 131 B11R1.1 COCCC1=CC=C(C=C1)Br Z299596190 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.1 COCCC1=CC=C(C=C1)Cl Z1470894103 [0,1,0,0,0,0|2,0,0]=3 133 B11R1.1 COCCC1=CC=C(C=C1)O Z104485614 [0,1,0,0,0,0|2,0,0]=3 134 B11R1.1 COCOC1=CC=C(C=C1)N Z1259226853 [0,1,0,0,0,0|3,0,0]=4 135 B11R1.1 CSCCC1=CC=C(C=C1)N Z732207426 [0,1,0,0,0,0|2,0,0]=3 136 B11R1.1 ClC1=CC=C(C=C1)OCCBr Z56926557 [0,1,0,0,0,0|2,0,0]=3 137 B11R1.1 ClCCSC1=CC=C(C=C1)Cl Z55993025 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.1 FC1=CC=C(C=C1)CN=C=S Z57358375 [0,1,0,0,0,0|2,0,1]=4 139 B11R1.1 FCCOC1=CC=C(C=C1)Br Z1269166672 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.1 N#CCCC1=CC=C(C=C1)N Z4750298565 [0,1,0,0,0,0|0,0,2]=3 141 B11R1.1 N#CCNC1=CC=C(C=C1)Br Z266466556 [0,1,0,0,0,0|1,0,2]=4 142 B11R1.1 N#CCOC1=CC=C(C=C1)Cl Z54608574 [0,1,0,0,0,0|1,0,2]=4 143 B11R1.1 N#CCOC1=CC=C(C=C1)F Z53791434 [0,1,0,0,0,0|1,0,2]=4 144 B11R1.1 N#CCOC1=CC=C(C=C1)N Z57052858 [0,1,0,0,0,0|1,0,2]=4 145 B11R1.1 N#CCSC1=CC=C(C=C1)Br Z18744575 [0,1,0,0,0,0|1,0,2]=4 146 B11R1.1 N#CCSC1=CC=C(C=C1)Cl Z19728982 [0,1,0,0,0,0|1,0,2]=4 147 B11R1.1 N#CCSC1=CC=C(C=C1)F Z16034822 [0,1,0,0,0,0|1,0,2]=4 148 B11R1.1 NC/C=C/C1=CC=C(C=C1)Br Z2235681463 [0,1,0,0,0,0|0,0,2]=3 149 B11R1.1 NC1=CC=C(C=C1)OCCF Z1262631146 [0,1,0,0,0,0|2,0,0]=3 150 B11R1.1 NC1=CC=C(C=C1)OCCO Z332379386 [0,1,0,0,0,0|2,0,0]=3 151 B11R1.1 NCC#CC1=CC=C(C=C1)I Z4775597113 [0,1,0,0,0,0|0,0,2]=3 152 B11R1.1 NCCCC1=CC=C(C=C1)Br Z3980240042 [0,1,0,0,0,0|0,0,0]=1 153 B11R1.1 NCCCC1=CC=C(C=C1)Cl Z992716848 [0,1,0,0,0,0|0,0,0]=1 154 B11R1.1 NCCCC1=CC=C(C=C1)F Z3244753845 [0,1,0,0,0,0|0,0,0]=1 155 B11R1.1 NCCCC1=CC=C(C=C1)N Z5453008768 [0,1,0,0,0,0|0,0,0]=1 156 B11R1.1 NCCCC1=CC=C(C=C1)O Z1270210797 [0,1,0,0,0,0|0,0,0]=1 157 B11R1.1 NCCNC1=CC=C(C=C1)O Z3386315806 [0,1,0,0,0,0|1,0,0]=2 158 B11R1.1 NCCOC1=CC=C(C=C1)Br Z1262237188 [0,1,0,0,0,0|1,0,0]=2 159 B11R1.1 NCCOC1=CC=C(C=C1)Cl Z85957193 [0,1,0,0,0,0|1,0,0]=2 160 B11R1.1 NCCOC1=CC=C(C=C1)F Z87000937 [0,1,0,0,0,0|1,0,0]=2 161 B11R1.1 NCCOC1=CC=C(C=C1)I Z381428104 [0,1,0,0,0,0|1,0,0]=2 162 B11R1.1 NCCOC1=NC=C(C=C1)Cl Z1421528823 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.1 NCCSC1=CC=C(C=C1)Br Z262221984 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.1 NCCSC1=CC=C(C=C1)Cl Z54751093 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.1 NCCSC1=CC=C(C=C1)F Z1267773811 [0,1,0,0,0,0|1,0,0]=2 166 B11R1.1 O=CCCC1=CC=C(C=C1)Br Z993017756 [0,1,0,0,0,0|1,0,1]=3 167 B11R1.1 O=CCCC1=CC=C(C=C1)Cl Z993017742 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.1 O=CCCC1=CC=C(C=C1)F Z993017748 [0,1,0,0,0,0|1,0,1]=3 169 B11R1.1 O=CCOC1=CC=C(C=C1)F Z854102568 [0,1,0,0,0,0|2,0,1]=4 170 B11R1.1 O=CCSC1=CC=C(C=C1)F Z854102782 [0,1,0,0,0,0|2,0,1]=4 171 B11R1.1 OC/C=C/C1=CC=C(C=C1)O Z2235811101 [0,1,0,0,0,0|1,0,2]=4 172 B11R1.1 OCC#CC1=CC=C(C=C1)Cl Z540350074 [0,1,0,0,0,0|1,0,2]=4 173 B11R1.1 OCCCC1=CC=C(C=C1)F Z992949550 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.1 OCCNC1=CC=C(C=C1)Br Z335275406 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.1 OCCNC1=NC=C(C=C1)I Z1269164771 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.1 OCCOC1=CC=C(C=C1)Br Z335092354 [0,1,0,0,0,0|2,0,0]=3 177 B11R1.1 OCCOC1=CC=C(C=C1)O Z381414946 [0,1,0,0,0,0|2,0,0]=3 178 B11R1.1 OCCOC1=NC=C(C=C1)Br Z808609020 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.1 OCCSC1=CC=C(C=C1)Br Z149190682 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.1 OCCSC1=CC=C(C=C1)Cl Z149162370 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.16 C#CCC(O)C1=CC=CC=C1 Z932373338 [0,1,0,0,0,0|1,0,1]=3 182 B11R1.16 C#CCN(C)C1=CC=CC=C1 Z103708484 [0,1,0,0,0,0|2,0,1]=4 183 B11R1.16 C=CCC(N)C1=CC=NC=C1 Z1268152401 [0,1,0,0,0,0|2,0,1]=4 184 B11R1.16 CC(CC#N)C1=CC=CC=C1 Z1251357056 [0,1,0,0,0,0|0,0,2]=3 185 B11R1.16 CC(CC=O)C1=CC=CC=C1 Z57921394 [0,1,0,0,0,0|1,0,1]=3 186 B11R1.16 CC(N=C=S)C1=CC=CC=C1 Z57358351 [0,1,0,0,0,0|2,0,1]=4 187 B11R1.16 CCCC(=O)C1=CC=CC=C1 Z104477742 [0,1,0,0,0,0|1,0,1]=3 188 B11R1.16 CCCC(=O)C1=CN=CC=C1 Z513733856 [0,1,0,0,0,0|2,0,1]=4 189 B11R1.16 CCCC(=O)C1=NC=CC=C1 Z513733774 [0,1,0,0,0,0|2,0,1]=4 190 B11R1.16 CCCC(N)C1=NC=CC=C1 Z513795928 [0,1,0,0,0,0|2,0,0]=3 191 B11R1.16 CCCC(O)C1=CC=CC=C1 Z335244704 [0,1,0,0,0,0|1,0,0]=2 192 B11R1.16 CCNC(C)C1=CC=NC=C1 Z1695709422 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.16 CCNC(C)C1=CN=CC=C1 Z163548568 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.16 CCOC(=O)C1=CC=CC=C1 Z53835169 [0,1,0,0,0,0|2,0,1]=4 195 B11R1.16 CN(CCN)C1=CC=CC=C1 Z154669318 [0,1,0,0,0,0|1,0,0]=2 196 B11R1.16 CN(CCN)C1=NC=CC=C1 Z3026268353 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.16 CN(CCO)C1=CC=CC=C1 Z138702688 [0,1,0,0,0,0|2,0,0]=3 198 B11R1.16 CN(CCO)C1=NC=CC=C1 Z54633859 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.16 CNCC(C)C1=CC=CC=C1 Z57797325 [0,1,0,0,0,0|2,0,0]=3 200 B11R1.16 COCC(N)C1=CC=CC=C1 Z271013088 [0,1,0,0,0,0|2,0,0]=3 201 B11R1.16 CSCC(=O)C1=CC=CC=C1 Z732208586 [0,1,0,0,0,0|2,0,1]=4 202 B11R1.16 CSCC(N)C1=CC=CC=C1 Z995116260 [0,1,0,0,0,0|2,0,0]=3 203 B11R1.16 N#CCC(=O)C1=CC=CC=C1 Z56899088 [0,1,0,0,0,0|0,0,3]=4 204 B11R1.16 N#CCC(N)C1=CC=CC=C1 Z1415893991 [0,1,0,0,0,0|0,0,2]=3 205 B11R1.16 NC(CCO)C1=CC=CC=C1 Z382816560 [0,1,0,0,0,0|1,0,0]=2 206 B11R1.16 NCCC(O)C1=CC=CC=C1 Z1020673398 [0,1,0,0,0,0|0,0,0]=1 207 B11R1.16 NCCS(=O)C1=CC=CC=C1 Z1266854955 [0,1,0,0,0,0|1,0,0]=2 208 B11R1.16 O=C(CCCl)C1=CC=CC=C1 Z1065610596 [0,1,0,0,0,0|1,0,1]=3 209 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [0,1,0,0,0,0|2,0,1]=4 210 B11R1.16 O=S(CCCl)C1=CC=CC=C1 Z421771494 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 Z1255427232 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 Z1255356297 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.17 C#CCNC1=C(C=CC=C1)F Z267213460 [0,1,0,0,0,0|2,0,1]=4 214 B11R1.17 C#CCOC1=C(C=CC=C1)Cl Z54471915 [0,1,0,0,0,0|2,0,1]=4 215 B11R1.17 C#CCOC1=C(C=CC=C1)F Z54554294 [0,1,0,0,0,0|2,0,1]=4 216 B11R1.17 C#CCOC1=C(C=CC=C1)N Z730514548 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.17 C#CCOC1=C(C=CC=C1)O Z381415368 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.17 C=CCSC1=C(C=CC=C1)N Z89272864 [0,1,0,0,0,0|2,0,1]=4 219 B11R1.17 CC1=C(C=CC=C1)CCCN Z424782962 [0,1,0,0,0,0|0,0,0]=1 220 B11R1.17 CC1=C(C=CC=C1)CCCO Z979436644 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.17 CC1=C(C=CC=C1)OCC#N Z53791706 [0,1,0,0,0,0|1,0,2]=4 222 B11R1.17 CC1=C(C=CC=C1)OCCN Z223656356 [0,1,0,0,0,0|1,0,0]=2 223 B11R1.17 CC1=C(C=NC=C1)CCC=O Z1270653786 [0,1,0,0,0,0|2,0,1]=4 224 B11R1.17 CC1=C(N=CC=C1)CCC#N Z1862003349 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.17 CC1=C(N=CC=C1)CCCN Z1198262715 [0,1,0,0,0,0|1,0,0]=2 226 B11R1.17 CCCNC1=C(C=CC=C1)F Z334942896 [0,1,0,0,0,0|2,0,0]=3 227 B11R1.17 CCCNC1=C(C=CC=C1)N Z94601320 [0,1,0,0,0,0|2,0,0]=3 228 B11R1.17 CCCOC1=C(C=CC=C1)Br Z54722000 [0,1,0,0,0,0|2,0,0]=3 229 B11R1.17 CCCOC1=C(C=CC=C1)N Z56968930 [0,1,0,0,0,0|2,0,0]=3 230 B11R1.17 CCCOC1=C(C=CC=C1)O Z55993120 [0,1,0,0,0,0|2,0,0]=3 231 B11R1.17 CCNCC1=C(C=CC=C1)Br Z1982494002 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.17 CCNCC1=C(C=CC=C1)C Z90513218 [0,1,0,0,0,0|2,0,0]=3 233 B11R1.17 CCNCC1=C(C=CC=C1)Cl Z90513164 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.17 CCNCC1=C(C=CC=C1)F Z286282968 [0,1,0,0,0,0|2,0,0]=3 235 B11R1.17 CCNCC1=C(C=CC=C1)N Z2351947311 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.17 CCOCC1=C(C=CC=C1)N Z285163822 [0,1,0,0,0,0|2,0,0]=3 237 B11R1.17 CCSCC1=C(N=CC=C1)N Z991493204 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.17 CNCCC1=C(C=CC=C1)C Z2234185664 [0,1,0,0,0,0|2,0,0]=3 239 B11R1.17 CNCCC1=C(C=CC=C1)Cl Z4935566656 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.17 CNCCC1=C(C=CC=C1)F Z163192604 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.17 CNCCC1=C(C=CC=C1)O Z1665033474 [0,1,0,0,0,0|2,0,0]=3 242 B11R1.17 COCCC1=C(C=CC=C1)N Z992259832 [0,1,0,0,0,0|2,0,0]=3 243 B11R1.17 COCCN1C=CC=CC1=O Z285935542 [0,1,0,0,0,0|3,0,0]=4 244 B11R1.17 ClC1=C(C=CC=C1)OCCBr Z56886267 [0,1,0,0,0,0|2,0,0]=3 245 B11R1.17 N#CCCC1=C(C=CC=C1)Br Z815260584 [0,1,0,0,0,0|0,0,2]=3 246 B11R1.17 N#CCCN1C=CC=CC1=O Z91643979 [0,1,0,0,0,0|1,0,2]=4 247 B11R1.17 N#CCOC1=C(C=CC=C1)Br Z54684411 [0,1,0,0,0,0|1,0,2]=4 248 B11R1.17 N#CCSC1=C(C=CC=C1)Br Z149386606 [0,1,0,0,0,0|1,0,2]=4 249 B11R1.17 N#CCSC1=C(C=CC=C1)Cl Z18459623 [0,1,0,0,0,0|1,0,2]=4 250 B11R1.17 N#CCSC1=C(C=CC=C1)F Z18098612 [0,1,0,0,0,0|1,0,2]=4 251 B11R1.17 NC1=C(C=CC=C1)CCCO Z1198265858 [0,1,0,0,0,0|1,0,0]=2 252 B11R1.17 NC1=C(C=CC=C1)NCCO Z55928991 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.17 NC1=C(C=CC=C1)OCCO Z3445703033 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.17 NCCCC1=C(C=CC=C1)Cl Z1695729033 [0,1,0,0,0,0|0,0,0]=1 255 B11R1.17 NCCCC1=C(C=CC=C1)F Z424783030 [0,1,0,0,0,0|0,0,0]=1 256 B11R1.17 NCCCN1C=CC=CC1=O Z271005712 [0,1,0,0,0,0|1,0,0]=2 257 B11R1.17 NCCCN1C=CC=NC1=O Z1956828657 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.17 NCCNC1=C(C=CC=C1)N Z991530054 [0,1,0,0,0,0|1,0,0]=2 259 B11R1.17 NCCNC1=C(C=CC=N1)Br Z808603224 [0,1,0,0,0,0|2,0,0]=3 260 B11R1.17 NCCOC1=C(C=CC=C1)Br Z803145324 [0,1,0,0,0,0|1,0,0]=2 261 B11R1.17 NCCOC1=C(C=CC=C1)Cl Z54747867 [0,1,0,0,0,0|1,0,0]=2 262 B11R1.17 NCCOC1=C(C=CC=C1)F Z1272739857 [0,1,0,0,0,0|1,0,0]=2 263 B11R1.17 NCCOC1=C(C=CC=C1)O Z3217405430 [0,1,0,0,0,0|1,0,0]=2 264 B11R1.17 NCCOC1=C(C=CC=N1)Cl Z1421528240 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.17 NCCSC1=C(C=CC=C1)F Z57971449 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.17 NNCCC1=C(C=CC=C1)F Z285144176 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.17 O=C1C=CC=CN1CCCO Z425794816 [0,1,0,0,0,0|2,0,0]=3 268 B11R1.17 O=C1C=CC=NN1CCCO Z1021424282 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.17 O=C1C=CN=CN1CCCO Z1154747265 [0,1,0,0,0,0|3,0,0]=4 270 B11R1.17 O=CCCC1=C(C=CC=C1)F Z993017602 [0,1,0,0,0,0|1,0,1]=3 271 B11R1.17 OCCCC1=C(C=CC=C1)Br Z992949552 [0,1,0,0,0,0|1,0,0]=2 272 B11R1.17 OCCOC1=C(C=CC=C1)Br Z149303034 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.17 OCCOC1=C(C=CC=C1)F Z425795714 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.17 OCCOC1=C(C=CC=C1)O Z56755902 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.17 OCCSC1=C(C=CC=C1)Br Z149386602 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.17 OCCSC1=C(C=CC=C1)Cl Z149174540 [0,1,0,0,0,0|2,0,0]=3 277 B11R1.17 OCCSC1=C(C=CC=N1)F Z997724398 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.24 BrCCOC1=CC(=CC=C1)Br Z56886268 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.24 C#CCNC1=CC=CC(=C1)F Z3210379881 [0,1,0,0,0,0|2,0,1]=4 280 B11R1.24 C#CCOC1=CC=CC(=C1)Br Z54473729 [0,1,0,0,0,0|2,0,1]=4 281 B11R1.24 C#CCOC1=CC=CC(=C1)C Z54472997 [0,1,0,0,0,0|2,0,1]=4 282 B11R1.24 C#CCOC1=CC=CC(=C1)Cl Z54474446 [0,1,0,0,0,0|2,0,1]=4 283 B11R1.24 C#CCOC1=CC=CC(=C1)F Z54472195 [0,1,0,0,0,0|2,0,1]=4 284 B11R1.24 C#CCOC1=CC=CC(=C1)N Z730509748 [0,1,0,0,0,0|2,0,1]=4 285 B11R1.24 C#CCOC1=CC=CC(=C1)O Z381415784 [0,1,0,0,0,0|2,0,1]=4 286 B11R1.24 C=CCCC1=CC=CC(=C1)Br Z1269162615 [0,1,0,0,0,0|1,0,1]=3 287 B11R1.24 C=CCOC1=CC=CC(=C1)N Z274779170 [0,1,0,0,0,0|2,0,1]=4 288 B11R1.24 CC1=CC(=CC=C1)CCCN Z4993130622 [0,1,0,0,0,0|0,0,0]=1 289 B11R1.24 CC1=CC(=CC=C1)CCCO Z979436642 [0,1,0,0,0,0|1,0,0]=2 290 B11R1.24 CC1=CC(=CC=C1)OCCBr Z56886266 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.24 CC1=CC(=CC=C1)OCCN Z85926240 [0,1,0,0,0,0|1,0,0]=2 292 B11R1.24 CC1=CC(=CN=C1)CCC=O Z1492427371 [0,1,0,0,0,0|2,0,1]=4 293 B11R1.24 CC1=CC(=CN=C1)CCCO Z1216820424 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.24 CC1=CC(=NC=C1)NCCO Z1250080924 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.24 CC1=NC(=CC=C1)CCCO Z104479712 [0,1,0,0,0,0|2,0,0]=3 296 B11R1.24 CC1=NC(=CC=C1)NCCN Z1267773738 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.24 CCCCC1=NC(=NC=C1)N Z1262627362 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.24 CCCCC1=NC=NC(=C1)Cl Z1201628792 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.24 CCCOC1=CC(=CC=C1)Br Z54848718 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.24 CCCOC1=CC(=CC=C1)N Z239604770 [0,1,0,0,0,0|2,0,0]=3 301 B11R1.24 CCCOC1=CC(=CC=C1)O Z381415572 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.24 CCNCC1=CC(=CC=C1)Br Z1138763375 [0,1,0,0,0,0|2,0,0]=3 303 B11R1.24 CCNCC1=CC(=CC=C1)C Z90513252 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.24 CCNCC1=CC(=CC=C1)Cl Z90513201 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.24 CCNCC1=CC(=CC=C1)F Z85935746 [0,1,0,0,0,0|2,0,0]=3 306 B11R1.24 CCNCC1=CC(=CN=C1)Br Z3244742192 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.24 CCNCC1=NC(=CC=C1)C Z385447500 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.24 CCOCC1=CC(=CC=C1)N Z285163820 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.24 CCSCC1=CC(=CC=C1)N Z332378038 [0,1,0,0,0,0|2,0,0]=3 310 B11R1.24 CNCCC1=CC(=CC=C1)Br Z2168282744 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.24 CNCCC1=CC(=CC=C1)O Z4924737523 [0,1,0,0,0,0|2,0,0]=3 312 B11R1.24 COCCC1=CC(=CC=C1)O Z1513911027 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.24 COCCC1=CC(=NC=C1)N Z1333211037 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.24 N#CCNC1=CC=CC(=C1)Cl Z266494142 [0,1,0,0,0,0|1,0,2]=4 315 B11R1.24 N#CCNC1=CC=CC(=C1)F Z266497222 [0,1,0,0,0,0|1,0,2]=4 316 B11R1.24 N#CCOC1=CC=CC(=C1)N Z285182504 [0,1,0,0,0,0|1,0,2]=4 317 B11R1.24 N#CCOC1=CC=CC(=C1)O Z381415714 [0,1,0,0,0,0|1,0,2]=4 318 B11R1.24 N#CCSC1=CC=CC(=C1)Br Z1020820468 [0,1,0,0,0,0|1,0,2]=4 319 B11R1.24 NC1=CC(=CC=C1)CCCO Z1198265859 [0,1,0,0,0,0|1,0,0]=2 320 B11R1.24 NC1=CC(=CC=C1)OCCF Z1262657442 [0,1,0,0,0,0|2,0,0]=3 321 B11R1.24 NCC#CC1=CC(=CC=C1)F Z2004547701 [0,1,0,0,0,0|0,0,2]=3 322 B11R1.24 NCCCC1=CC(=CC=C1)Br Z1266823414 [0,1,0,0,0,0|0,0,0]=1 323 B11R1.24 NCCCC1=CC(=CC=C1)Cl Z1262246154 [0,1,0,0,0,0|0,0,0]=1 324 B11R1.24 NCCCC1=CC(=CC=C1)F Z424782946 [0,1,0,0,0,0|0,0,0]=1 325 B11R1.24 NCCCC1=CC(=CC=C1)O Z1895582955 [0,1,0,0,0,0|0,0,0]=1 326 B11R1.24 NCCCC1=CC(=CN=C1)F Z4446765955 [0,1,0,0,0,0|1,0,0]=2 327 B11R1.24 NCCOC1=CC(=CC=C1)Br Z744843646 [0,1,0,0,0,0|1,0,0]=2 328 B11R1.24 NCCOC1=CC(=CC=C1)Cl Z425484860 [0,1,0,0,0,0|1,0,0]=2 329 B11R1.24 NCCOC1=CC(=CC=C1)F Z381785786 [0,1,0,0,0,0|1,0,0]=2 330 B11R1.24 O=CCCC1=CC=CC(=C1)Cl Z993017744 [0,1,0,0,0,0|1,0,1]=3 331 B11R1.24 O=CCCC1=CC=CC(=C1)F Z993017622 [0,1,0,0,0,0|1,0,1]=3 332 B11R1.24 O=CCCC1=CN=CC(=C1)F Z1233207916 [0,1,0,0,0,0|2,0,1]=4 333 B11R1.24 OCCNC1=CC(=CC=C1)F Z335274246 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.24 OCCOC1=CC(=CC=C1)Br Z335092356 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.24 OCCOC1=CC(=CC=C1)Cl Z149166432 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.24 OCCOC1=CC(=CN=C1)Br Z1206893175 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.28 BrCCCOC1=CC=CC=C1 Z90122132 [0,1,0,0,0,0|1,0,0]=2 338 B11R1.28 C#CCCOC1=CC=CC=C1 Z1143222703 [0,1,0,0,0,0|1,0,1]=3 339 B11R1.28 C#CCNCC1=CC=CC=C1 Z2082999436 [0,1,0,0,0,0|1,0,1]=3 340 B11R1.28 C#CCNCC1=CN=CC=C1 Z90560634 [0,1,0,0,0,0|2,0,1]=4 341 B11R1.28 C=CCNCC1=CC=CC=C1 Z86135577 [0,1,0,0,0,0|1,0,1]=3 342 B11R1.28 CCCCCC1=CC=CC=C1 Z199507042 [0,1,0,0,0,0|1,0,0]=2 343 B11R1.28 CCCCNC1=CC=NC=C1 Z359299136 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.28 CCCCNC1=NC=CN=C1 Z31215149 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.28 CCCNCC1=CC=CC=C1 Z56946091 [0,1,0,0,0,0|1,0,0]=2 346 B11R1.28 CCCNCC1=CC=NC=C1 Z3247723488 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.28 CCCNCC1=CN=CC=C1 Z3247723489 [0,1,0,0,0,0|2,0,0]=3 348 B11R1.28 CCCNCC1=NC=CC=C1 Z4401052052 [0,1,0,0,0,0|2,0,0]=3 349 B11R1.28 CCNCCC1=CC=CC=C1 Z444350074 [0,1,0,0,0,0|1,0,0]=2 350 B11R1.28 CCNCCC1=NC=CC=C1 Z138534138 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.28 CCOCCC1=CC=CC=C1 Z1198150519 [0,1,0,0,0,0|1,0,0]=2 352 B11R1.28 CNCCCC1=CC=CC=C1 Z102767020 [0,1,0,0,0,0|0,0,0]=1 353 B11R1.28 CNCCNC1=NC=CC=C1 Z3033960688 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.28 CNCCOC1=CC=CC=C1 Z56945505 [0,1,0,0,0,0|1,0,0]=2 355 B11R1.28 COCCNC1=CC=CC=C1 Z266463556 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.28 COCCNC1=CC=NC=C1 Z359297138 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.28 ClCCCOC1=CC=CC=C1 Z275020186 [0,1,0,0,0,0|1,0,0]=2 358 B11R1.28 ClCCNCC1=CC=CC=C1 Z57158447 [0,1,0,0,0,0|1,0,0]=2 359 B11R1.28 N#CCCNC1=CC=CC=C1 Z56915949 [0,1,0,0,0,0|0,0,2]=3 360 B11R1.28 N#CCCOC1=CC=CC=C1 Z54337114 [0,1,0,0,0,0|0,0,2]=3 361 B11R1.28 N#CCNCC1=CC=CC=C1 Z266079624 [0,1,0,0,0,0|0,0,2]=3 362 B11R1.28 N#CCNCC1=NC=CC=C1 Z111725574 [0,1,0,0,0,0|1,0,2]=4 363 B11R1.28 N#CCOCC1=CC=CC=C1 Z295205356 [0,1,0,0,0,0|0,0,2]=3 364 B11R1.28 N#CCSCC1=CC=CC=C1 Z54337756 [0,1,0,0,0,0|0,0,2]=3 365 B11R1.28 NCCCCC1=CC=CC=C1 Z2574929438 [0,1,0,0,0,0|0,0,0]=1 366 B11R1.28 NCCCCC1=CC=NC=C1 Z3234944907 [0,1,0,0,0,0|1,0,0]=2 367 B11R1.28 NCCCNC1=CC=CC=C1 Z756919512 [0,1,0,0,0,0|0,0,0]=1 368 B11R1.28 NCCCNC1=CC=NC=C1 Z317257864 [0,1,0,0,0,0|1,0,0]=2 369 B11R1.28 NCCCNC1=NC=CC=C1 Z234895141 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.28 NCCCNC1=NC=CC=N1 Z444311056 [0,1,0,0,0,0|2,0,0]=3 371 B11R1.28 NCCCOC1=CC=CC=C1 Z234895129 [0,1,0,0,0,0|0,0,0]=1 372 B11R1.28 NCCCOC1=CC=NC=C1 Z976694292 [0,1,0,0,0,0|1,0,0]=2 373 B11R1.28 NCCCOC1=NC=CC=N1 Z2467687631 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.28 NCCCSC1=CC=CC=C1 Z262222134 [0,1,0,0,0,0|0,0,0]=1 375 B11R1.28 NCCCSC1=NC=CC=C1 Z2028214397 [0,1,0,0,0,0|1,0,0]=2 376 B11R1.28 NCCNCC1=NC=CC=C1 Z600492946 [0,1,0,0,0,0|1,0,0]=2 377 B11R1.28 NCCOCC1=CC=CC=C1 Z271005946 [0,1,0,0,0,0|0,0,0]=1 378 B11R1.28 O=CCCCC1=CC=CC=C1 Z993017616 [0,1,0,0,0,0|1,0,0]=2 379 B11R1.28 O=CCOCC1=CC=CC=C1 Z906195396 [0,1,0,0,0,0|1,0,1]=3 380 B11R1.28 O=CCSCC1=CC=CC=C1 Z854102762 [0,1,0,0,0,0|1,0,1]=3 381 B11R1.28 OCCCNC1=CC=CC=C1 Z104584292 [0,1,0,0,0,0|1,0,0]=2 382 B11R1.28 OCCCNC1=CC=NC=C1 Z359301948 [0,1,0,0,0,0|2,0,0]=3 383 B11R1.28 OCCCNC1=NC=CC=C1 Z31220937 [0,1,0,0,0,0|2,0,0]=3 384 B11R1.28 OCCCSC1=CC=CC=C1 Z104650330 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.28 OCCNCC1=CN=CC=C1 Z90504502 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.28 OCCOCC1=CC=CC=C1 Z854223062 [0,1,0,0,0,0|1,0,0]=2 387 B11R1.28 S=C=NCCC1=CC=CC=C1 Z56924472 [0,1,0,0,0,0|1,0,1]=3 388 B11R1.40 C#CC(=O)CC1=CC=CC=C1 Z1266856334 [0,1,0,0,0,0|1,0,2]=4 389 B11R1.40 C#CC(N)CC1=CC=CC=C1 Z4167757719 [0,1,0,0,0,0|1,0,1]=3 390 B11R1.40 CC(C#N)OC1=CC=CC=C1 Z54191740 [0,1,0,0,0,0|1,0,2]=4 391 B11R1.40 CC(C=O)CC1=CC=CC=C1 Z1198150055 [0,1,0,0,0,0|1,0,1]=3 392 B11R1.40 CC(CC1=CC=CC=C1)NN Z3033545382 [0,1,0,0,0,0|1,0,0]=2 393 B11R1.40 CC(CN)NC1=CC=CC=C1 Z1198235985 [0,1,0,0,0,0|1,0,0]=2 394 B11R1.40 CC(CN)OC1=CC=CC=C1 Z1245635737 [0,1,0,0,0,0|1,0,0]=2 395 B11R1.40 CC(CN)SC1=CC=CC=C1 Z844632804 [0,1,0,0,0,0|1,0,0]=2 396 B11R1.40 CCC(=O)CC1=CN=CC=C1 Z992407884 [0,1,0,0,0,0|2,0,1]=4 397 B11R1.40 CCC(N)CC1=CC=CC=C1 Z431980016 [0,1,0,0,0,0|1,0,0]=2 398 B11R1.40 CCC(O)CC1=CC=CC=C1 Z513749284 [0,1,0,0,0,0|1,0,0]=2 399 B11R1.40 CCC(O)CC1=CC=NC=C1 Z992409862 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.40 CC[C@@H](O)CC1=CC=CC=C1 Z1262397064 [0,1,0,0,0,0|1,0,0]=2 401 B11R1.40 CC[C@H](O)CC1=CC=CC=C1 Z1262397065 [0,1,0,0,0,0|1,0,0]=2 402 B11R1.40 CN(C#N)CC1=CC=CC=C1 Z1255506511 [0,1,0,0,0,0|1,0,2]=4 403 B11R1.40 CN(CC1=CC=CC=C1)N=O Z1198147495 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.40 N=C(NN)NC1=CC=CC=C1 Z2768171754 [0,1,0,0,0,0|2,0,1]=4 405 B11R1.40 NC(CO)CC1=CC=CC=C1 Z234898263 [0,1,0,0,0,0|1,0,0]=2 406 B11R1.40 NC(CO)CC1=CC=NC=C1 Z1824511267 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.40 NCC(=O)CC1=CC=CC=C1 Z1569708978 [0,1,0,0,0,0|0,0,1]=2 408 B11R1.40 NCC(=O)NC1=CC=CC=C1 Z594413794 [0,1,0,0,0,0|1,0,1]=3 409 B11R1.40 NCC(=O)NC1=CC=NC=C1 Z1459449301 [0,1,0,0,0,0|2,0,1]=4 410 B11R1.40 NCC(=O)NC1=NC=CC=C1 Z1459449767 [0,1,0,0,0,0|2,0,1]=4 411 B11R1.40 NCC(F)CC1=CC=CC=C1 Z2740416678 [0,1,0,0,0,0|0,0,0]=1 412 B11R1.40 NCC(N)CC1=CC=CC=C1 Z425861056 [0,1,0,0,0,0|0,0,0]=1 413 B11R1.40 NCC(O)CC1=CC=CC=C1 Z419084966 [0,1,0,0,0,0|0,0,0]=1 414 B11R1.40 NNC(=O)CC1=CC=CC=C1 Z56867310 [0,1,0,0,0,0|1,0,1]=3 415 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 Z90123523 [0,1,0,0,0,0|2,0,1]=4 416 B11R1.40 NNC(=O)NC1=CC=CC=C1 Z56855648 [0,1,0,0,0,0|2,0,1]=4 417 B11R1.40 NNC(=S)NC1=CC=CC=C1 Z56836896 [0,1,0,0,0,0|2,0,1]=4 418 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 Z1157651018 [0,1,0,0,0,0|1,0,0]=2 419 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 Z1741982891 [0,1,0,0,0,0|1,0,0]=2 420 B11R1.40 O=C(CCl)CC1=CC=CC=C1 Z164706024 [0,1,0,0,0,0|1,0,1]=3 421 B11R1.40 O=C(CCl)NC1=CC=CC=C1 Z56889119 [0,1,0,0,0,0|2,0,1]=4 422 B11R1.40 O=C(CO)NC1=CC=CC=C1 Z228585444 [0,1,0,0,0,0|2,0,1]=4 423 B11R1.91 CC(=O)CSC1=CC=CC=C1 Z19751394 [0,1,0,0,0,0|2,0,1]=4 424 B11R1.91 CC(=O)NCC1=CC=CC=C1 Z27749489 [0,1,0,0,0,0|2,0,1]=4 425 B11R1.91 CC(=O)OCC1=CC=CC=C1 Z19628364 [0,1,0,0,0,0|2,0,1]=4 426 B11R1.91 CC(C)CCC1=NC=CN=C1 Z1198147436 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.91 CC(C)CNC1=CC=CC=C1 Z2092369729 [0,1,0,0,0,0|2,0,0]=3 428 B11R1.91 CC(C)COC1=CN=CC=C1 Z1606818727 [0,1,0,0,0,0|3,0,0]=4 429 B11R1.91 CC(C)NCC1=CN=CC=C1 Z90502194 [0,1,0,0,0,0|3,0,0]=4 430 B11R1.91 CC(C)NCC1=NC=CC=C1 Z90502192 [0,1,0,0,0,0|3,0,0]=4 431 B11R1.91 CC(N)CCC1=CC=CC=C1 Z104476462 [0,1,0,0,0,0|0,0,0]=1 432 B11R1.91 CC(N)COC1=CC=CC=C1 Z600397650 [0,1,0,0,0,0|1,0,0]=2 433 B11R1.91 CC(O)CNC1=CC=CC=C1 Z234898271 [0,1,0,0,0,0|2,0,0]=3 434 B11R1.91 CN(C)CCC1=CC=CC=C1 Z168912026 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Z5044990030 [0,1,0,0,0,0|0,0,0]=1 436 B11R1.91 FC(F)SCC1=CC=CC=C1 Z55626056 [0,1,0,0,0,0|2,0,0]=3 437 B11R1.91 N=C(N)CCC1=CC=CC=C1 Z2092176896 [0,1,0,0,0,0|0,0,1]=2 438 B11R1.91 N=C(N)COC1=CC=CC=C1 Z1532540938 [0,1,0,0,0,0|1,0,1]=3 439 B11R1.91 N=C(N)CSC1=CC=CC=C1 Z1532718998 [0,1,0,0,0,0|1,0,1]=3 440 B11R1.91 N=C(N)NCC1=CC=NC=C1 Z2723680409 [0,1,0,0,0,0|2,0,1]=4 441 B11R1.91 N=C(N)NCC1=NC=CC=C1 Z911465258 [0,1,0,0,0,0|2,0,1]=4 442 B11R1.91 N=C(N)SCC1=CC=CC=C1 Z89242849 [0,1,0,0,0,0|1,0,1]=3 443 B11R1.91 NC(=O)CCC1=CC=CC=C1 Z33546514 [0,1,0,0,0,0|0,0,1]=2 444 B11R1.91 NC(=O)CCC1=CC=NC=C1 Z1095213378 [0,1,0,0,0,0|1,0,1]=3 445 B11R1.91 NC(=O)CNC1=CC=CC=C1 Z104583968 [0,1,0,0,0,0|1,0,1]=3 446 B11R1.91 NC(=O)COC1=CC=CC=C1 Z19735702 [0,1,0,0,0,0|1,0,1]=3 447 B11R1.91 NC(=O)COC1=CN=CC=C1 Z336080090 [0,1,0,0,0,0|2,0,1]=4 448 B11R1.91 NC(=O)CSC1=CC=CC=C1 Z19751390 [0,1,0,0,0,0|1,0,1]=3 449 B11R1.91 NC(=O)CSC1=CC=NC=C1 Z33546963 [0,1,0,0,0,0|2,0,1]=4 450 B11R1.91 NC(=O)NCC1=CC=CC=C1 Z104476310 [0,1,0,0,0,0|1,0,1]=3 451 B11R1.91 NC(=O)NCC1=CC=NC=C1 Z198194796 [0,1,0,0,0,0|2,0,1]=4 452 B11R1.91 NC(=O)NCC1=CN=CC=C1 Z57664442 [0,1,0,0,0,0|2,0,1]=4 453 B11R1.91 NC(=O)NCC1=NC=CC=C1 Z198194794 [0,1,0,0,0,0|2,0,1]=4 454 B11R1.91 NC(=O)OCC1=CC=CC=C1 Z33547079 [0,1,0,0,0,0|1,0,1]=3 455 B11R1.91 NC(=S)CCC1=CC=CC=C1 Z56824950 [0,1,0,0,0,0|0,0,1]=2 456 B11R1.91 NC(=S)COC1=CC=CC=C1 Z108595128 [0,1,0,0,0,0|1,0,1]=3 457 B11R1.91 NC(=S)NCC1=CC=CC=C1 Z56900892 [0,1,0,0,0,0|1,0,1]=3 458 B11R1.91 NC(=S)NNC1=CC=CC=C1 Z104483868 [0,1,0,0,0,0|2,0,1]=4 459 B11R1.91 O=C(O)CCC1=CC=CC=C1 Z57127332 [0,1,0,0,0,0|1,0,1]=3 460 B11R1.91 O=C(O)CCC1=CC=NC=C1 Z317037982 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.91 O=C(O)CCC1=CN=CC=C1 Z89264892 [0,1,0,0,0,0|2,0,1]=4 462 B11R1.91 O=C(O)CCC1=NC=CC=C1 Z317037998 [0,1,0,0,0,0|2,0,1]=4 463 B11R1.91 O=C(O)CNC1=CC=CC=C1 Z104496210 [0,1,0,0,0,0|2,0,1]=4 464 B11R1.91 O=C(O)COC1=CC=CC=C1 Z57182011 [0,1,0,0,0,0|2,0,1]=4 465 B11R1.91 O=C(O)CSC1=CC=CC=C1 Z104484982 [0,1,0,0,0,0|2,0,1]=4 466 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 Z995234780 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.91 O=[N+]([O-])CSC1=CC=CC=C1 Z1255375331 [0,1,0,0,0,0|3,0,0]=4 468 B11R1.91 OB(O)CCC1=CC=CC=C1 Z1147227790 [0,1,0,0,0,0|2,0,0]=3 469 B11R2.1 CC1CNC2=C1C=CC=C2 Z415739264 [0,0,0,1,0,0|2,0,0]=3 470 B11R2.1 CC1CNC2=C1C=CN=C2 Z3400245703 [0,0,0,1,0,0|3,0,0]=4 471 B11R2.1 CC1CNC2=C1N=CC=C2 Z3464420345 [0,0,0,1,0,0|3,0,0]=4 472 B11R2.1 CC1NCC2=C1C=CC=C2 Z1203731964 [0,0,0,1,0,0|2,0,0]=3 473 B11R2.1 NC1=C2C=CC=CC2=NS1 Z1198161072 [0,0,0,1,0,0|2,0,1]=4 474 B11R2.1 NC1=NNC2=C1C=CC=C2 Z56820416 [0,0,0,1,0,0|2,0,1]=4 475 B11R2.1 NC1=NOC2=C1C=CC=C2 Z218760918 [0,0,0,1,0,0|2,0,1]=4 476 B11R2.1 NC1=NSC2=C1C=CC=C2 Z56774438 [0,0,0,1,0,0|2,0,1]=4 477 B11R2.1 NC1CCC2=C1C=CC=C2 Z168884748 [0,0,0,1,0,0|0,0,0]=1 478 B11R2.1 NC1CSC2=C1C=CC=C2 Z431544668 [0,0,0,1,0,0|1,0,0]=2 479 B11R2.1 NN1C=NC2=C1C=CC=C2 Z99599676 [0,0,0,1,0,0|2,0,1]=4 480 B11R2.1 NN1N=NC2=C1C=CC=C2 Z56788890 [0,0,0,1,0,0|3,0,0]=4 481 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 Z1741972748 [0,0,0,1,0,0|0,0,0]=1 482 B11R2.1 O=C1CCC2=C1C=CC=C2 Z104495974 [0,0,0,1,0,0|1,0,1]=3 483 B11R2.1 O=C1CCC2=C1C=NC=C2 Z1198181243 [0,0,0,1,0,0|2,0,1]=4 484 B11R2.1 O=C1COC2=C1C=CC=C2 Z57101103 [0,0,0,1,0,0|2,0,1]=4 485 B11R2.1 O=C1CSC2=C1C=CC=C2 Z1117911699 [0,0,0,1,0,0|2,0,1]=4 486 B11R2.1 O=C1NCC2=C1C=CC=C2 Z362519344 [0,0,0,1,0,0|2,0,1]=4 487 B11R2.1 O=C1OCC2=C1C=CC=C2 Z211309000 [0,0,0,1,0,0|2,0,1]=4 488 B11R2.1 OB1OCC2=C1C=CC=C2 Z1255356609 [0,0,0,1,0,0|3,0,0]=4 489 B11R2.1 OC1COC2=C1C=CC=C2 Z1267884639 [0,0,0,1,0,0|2,0,0]=3 490 B11R2.1 O[C@@H]1CSC2=C1C=CC=C2 Z1438326029 [0,0,0,1,0,0|2,0,0]=3 491 B11R2.4 N[C@@H]1C[C@@H]1C2=CC=CC=C2 Z2309888982 [0,0,0,1,0,0|0,0,0]=1 492 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 Z2296167800 [0,0,0,1,0,0|0,0,0]=1 493 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 Z2517097696 [0,0,0,1,0,0|0,0,0]=1 494 B11R2.20 C1=CC2=C(C=C1)CCC=C2 Z237493310 [0,0,0,1,0,0|1,0,1]=3 495 B11R2.20 C1=CC2=C(C=C1)CNCC2 Z57834231 [0,0,0,1,0,0|2,0,0]=3 496 B11R2.20 C1=CC2=C(C=C1)COCC2 Z756090080 [0,0,0,1,0,0|2,0,0]=3 497 B11R2.20 C1=CC2=C(C=C1)CONC2 Z2096086829 [0,0,0,1,0,0|3,0,0]=4 498 B11R2.20 C1=CC2=C(C=C1)OCCC2 Z728136016 [0,0,0,1,0,0|1,0,0]=2 499 B11R2.20 C1=CC2=C(C=C1)OCCN2 Z228584850 [0,0,0,1,0,0|1,0,0]=2 500 B11R2.20 C1=CC2=C(C=C1)SCCN2 Z56943460 [0,0,0,1,0,0|1,0,0]=2 501 B11R2.20 C1=CC2=C(C=N1)CCCC2 Z104492180 [0,0,0,1,0,0|2,0,0]=3 502 B11R2.20 C1=CC2=C(C=N1)CCNC2 Z3243651255 [0,0,0,1,0,0|3,0,0]=4 503 B11R2.20 C1=CC2=C(C=N1)CNCC2 Z3058791291 [0,0,0,1,0,0|3,0,0]=4 504 B11R2.20 C1=CC2=C(C=N1)COCC2 Z4394915129 [0,0,0,1,0,0|3,0,0]=4 505 B11R2.20 C1=CC2=C(C=N1)NCCC2 Z3243651200 [0,0,0,1,0,0|1,0,0]=2 506 B11R2.20 C1=CC2=C(C=N1)NCCN2 Z1203732990 [0,0,0,1,0,0|2,0,0]=3 507 B11R2.20 C1=CC2=C(C=N1)NCCO2 Z2217033032 [0,0,0,1,0,0|2,0,0]=3 508 B11R2.20 C1=CC2=C(CCCC2)N=C1 Z1201617100 [0,0,0,1,0,0|2,0,0]=3 509 B11R2.20 C1=CC2=C(CCCN2)N=C1 Z212053854 [0,0,0,1,0,0|1,0,0]=2 510 B11R2.20 C1=CC2=C(CCNC2)N=C1 Z2142036515 [0,0,0,1,0,0|3,0,0]=4 511 B11R2.20 C1=CC2=C(CCSC2)N=C1 Z3492694447 [0,0,0,1,0,0|3,0,0]=4 512 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z1198176448 [0,0,0,1,0,0|1,0,0]=2 513 B11R2.20 C1=CC2=C(N=C1)NCCN2 Z1198175971 [0,0,0,1,0,0|2,0,0]=3 514 B11R2.20 C1=CC2=C(N=C1)OCCN2 Z1201624799 [0,0,0,1,0,0|2,0,0]=3 515 B11R2.20 C1=NC=NC2=C1NCCN2 Z3358604084 [0,0,0,1,0,0|3,0,0]=4 516 B11R2.238 C1=CC(=CN=C1)NC2CC2 Z1203747527 [0,0,0,1,0,0|3,0,0]=4 517 B11R2.238 C1=CC=C(C=C1)CC2CO2 Z1020680006 [0,0,0,1,0,0|1,0,0]=2 518 B11R2.238 C1=CC=C(C=C1)C[C@@H]2CO2 Z1617991494 [0,0,0,1,0,0|1,0,0]=2 519 B11R2.238 C1=CC=C(C=C1)C[C@H]2CO2 Z2216712384 [0,0,0,1,0,0|1,0,0]=2 520 B11R2.238 C1=CC=C(C=C1)NC2CC2 Z1203731288 [0,0,0,1,0,0|2,0,0]=3 521 B11R2.239 C1=CC=C(C=C1)C2CCN2 Z359510120 [0,0,0,1,0,0|0,0,0]=1 522 B11R2.988 NCC1CC2=C1C=CC=C2 Z234895091 [0,0,0,1,0,0|0,0,0]=1 523 B9R1.12 CCCCC1=CN=CO1 Z2520746593 [0,0,0,0,1,0|3,0,0]=4 524 B9R1.12 CCNCC1=CC=CO1 Z90513169 [0,0,0,0,1,0|3,0,0]=4 525 B9R1.12 CCNCC1=COC=C1 Z385447452 [0,0,0,0,1,0|3,0,0]=4 526 B9R1.12 CNCCC1=CC=CS1 Z162416950 [0,0,0,0,1,0|3,0,0]=4 527 B9R1.12 N#CCCC1=CC=CO1 Z1079179114 [0,0,0,0,1,0|1,0,2]=4 528 B9R1.12 NCCCC1=CC=NN1 Z2895332060 [0,0,0,0,1,0|2,0,0]=3 529 B9R1.12 NCCCC1=CNC=N1 Z2574933947 [0,0,0,0,1,0|2,0,0]=3 530 B9R1.12 NCCCC1=CNN=C1 Z2106603664 [0,0,0,0,1,0|2,0,0]=3 531 B9R1.12 NCCCC1=CNN=N1 Z3379992373 [0,0,0,0,1,0|3,0,0]=4 532 B9R1.12 NCCCC1=CON=C1 Z3022047352 [0,0,0,0,1,0|2,0,0]=3 533 B9R1.12 NCCCC1=NC=CN1 Z3244743443 [0,0,0,0,1,0|2,0,0]=3 534 B9R1.12 NCCCC1=NC=CO1 Z4966451613 [0,0,0,0,1,0|2,0,0]=3 535 B9R1.12 NCCCC1=NC=CS1 Z1263529635 [0,0,0,0,1,0|2,0,0]=3 536 B9R1.12 NCCCC1=NC=NO1 Z1429378655 [0,0,0,0,1,0|3,0,0]=4 537 B9R1.12 NCCCC1=NN=CS1 Z4327155967 [0,0,0,0,1,0|3,0,0]=4 538 B9R1.12 NCCCN1C=CC=C1 Z600497510 [0,0,0,0,1,0|1,0,0]=2 539 B9R1.12 NCCCN1C=CC=N1 Z271005716 [0,0,0,0,1,0|2,0,0]=3 540 B9R1.12 NCCCN1C=CN=N1 Z1649880105 [0,0,0,0,1,0|3,0,0]=4 541 B9R1.12 NCCCN1C=NC=N1 Z2242062120 [0,0,0,0,1,0|3,0,0]=4 542 B9R1.12 NCCCN1C=NN=C1 Z2768235726 [0,0,0,0,1,0|3,0,0]=4 543 B9R1.12 O=CCCC1=CSC=C1 Z993017658 [0,0,0,0,1,0|2,0,1]=4 544 B9R1.12 OCCCC1=CNC=N1 Z1142681983 [0,0,0,0,1,0|3,0,0]=4 545 B9R1.12 OCCCC1=CNN=C1 Z826006476 [0,0,0,0,1,0|3,0,0]=4 546 B9R1.12 OCCCC1=COC=C1 Z1198265634 [0,0,0,0,1,0|2,0,0]=3 547 B9R1.12 OCCCC1=CSC=C1 Z993012564 [0,0,0,0,1,0|2,0,0]=3 548 B9R1.12 OCCCC1=CSC=N1 Z1270133079 [0,0,0,0,1,0|3,0,0]=4 549 B9R1.12 OCCCC1=NC=CN1 Z2771661063 [0,0,0,0,1,0|3,0,0]=4 550 B9R1.12 OCCCN1C=CC=N1 Z425794826 [0,0,0,0,1,0|3,0,0]=4 551 B9R1.12 OCCCN1C=CN=C1 Z425794726 [0,0,0,0,1,0|3,0,0]=4 552 B8R1.2 C=CC1=CC=CC=C1 Z104474664 [2,0,0,0,0,0|0,0,2]=4 553 B8R1.2 CCC1=CC=CC=C1 Z104473632 [2,0,0,0,0,0|0,0,0]=2 554 B8R1.2 CCC1=CC=NC=C1 Z1251171246 [2,0,0,0,0,0|1,0,0]=3 555 B8R1.2 CCC1=CN=CC=C1 Z104476778 [2,0,0,0,0,0|1,0,0]=3 556 B8R1.2 CCC1=NC=CC=C1 Z113558650 [2,0,0,0,0,0|1,0,0]=3 557 B8R1.2 CCC1=NC=CC=N1 Z1198725952 [2,0,0,0,0,0|2,0,0]=4 558 B8R1.2 CCC1=NC=NC=C1 Z1198725956 [2,0,0,0,0,0|2,0,0]=4 559 B8R1.2 CCC1=NN=CC=C1 Z1222425026 [2,0,0,0,0,0|2,0,0]=4 560 B8R1.2 CNC1=CC=CC=C1 Z104472478 [2,0,0,0,0,0|1,0,0]=3 561 B8R1.2 CNC1=CN=CC=C1 Z1082871080 [2,0,0,0,0,0|2,0,0]=4 562 B8R1.2 COC1=CC=CC=C1 Z53833865 [2,0,0,0,0,0|1,0,0]=3 563 B8R1.2 CSC1=CC=NC=C1 Z1376456468 [2,0,0,0,0,0|2,0,0]=4 564 B8R1.2 Cl[Se]C1=CC=CC=C1 Z1255485131 [2,0,0,0,0,0|2,0,0]=4 565 B8R1.2 N#CC1=CC=CC=C1 Z104473628 [2,0,0,0,0,0|0,0,2]=4 566 B8R1.2 NCC1=CC=CC=C1 Z54748260 [2,0,0,0,0,0|0,0,0]=2 567 B8R1.2 NCC1=CC=NC=C1 Z104474354 [2,0,0,0,0,0|1,0,0]=3 568 B8R1.2 NCC1=CN=CC=C1 Z104474366 [2,0,0,0,0,0|1,0,0]=3 569 B8R1.2 NCC1=CN=CN=C1 Z3244401628 [2,0,0,0,0,0|2,0,0]=4 570 B8R1.2 NCC1=NC=CC=C1 Z104474352 [2,0,0,0,0,0|1,0,0]=3 571 B8R1.2 NCC1=NC=CC=N1 Z1463350843 [2,0,0,0,0,0|2,0,0]=4 572 B8R1.2 NCC1=NC=CN=C1 Z241059702 [2,0,0,0,0,0|2,0,0]=4 573 B8R1.2 NCC1=NC=NC=C1 Z254526552 [2,0,0,0,0,0|2,0,0]=4 574 B8R1.2 NCC1=NN=CC=C1 Z1198165902 [2,0,0,0,0,0|2,0,0]=4 575 B8R1.2 NNC1=CC=CC=C1 Z104472442 [2,0,0,0,0,0|1,0,0]=3 576 B8R1.2 NNC1=NC=CC=C1 Z56887722 [2,0,0,0,0,0|2,0,0]=4 577 B8R1.2 OCC1=CC=CC=C1 Z104476418 [2,0,0,0,0,0|1,0,0]=3 578 B8R1.2 OCC1=CC=NC=C1 Z335244866 [2,0,0,0,0,0|2,0,0]=4 579 B8R1.2 OCC1=CN=CC=C1 Z104495622 [2,0,0,0,0,0|2,0,0]=4 580 B8R1.2 OCC1=NC=CC=C1 Z57921252 [2,0,0,0,0,0|2,0,0]=4 581 B10R1.1 CC1=CC=C(C=C1)CC#N Z285131444 [1,1,0,0,0,0|0,0,2]=4 582 B10R1.1 CC1=CC=C(C=C1)CC=O Z993017610 [1,1,0,0,0,0|1,0,1]=4 583 B10R1.1 CC1=CC=C(C=C1)CCN Z1268153218 [1,1,0,0,0,0|0,0,0]=2 584 B10R1.1 CC1=CC=C(C=C1)CCO Z397587076 [1,1,0,0,0,0|1,0,0]=3 585 B10R1.1 CC1=NC=C(C=C1)CCN Z600584220 [1,1,0,0,0,0|1,0,0]=3 586 B10R1.1 CCCC1=CC=C(C=C1)Br Z299596168 [1,1,0,0,0,0|0,0,0]=2 587 B10R1.1 CCCC1=CC=C(C=C1)N Z104492166 [1,1,0,0,0,0|0,0,0]=2 588 B10R1.1 CCNC1=CC=C(C=C1)Br Z286365048 [1,1,0,0,0,0|1,0,0]=3 589 B10R1.1 CCNC1=CC=C(C=C1)Cl Z2902298062 [1,1,0,0,0,0|1,0,0]=3 590 B10R1.1 CCNC1=CC=C(C=C1)F Z89270849 [1,1,0,0,0,0|1,0,0]=3 591 B10R1.1 CCNC1=CC=C(C=C1)N Z359511474 [1,1,0,0,0,0|1,0,0]=3 592 B10R1.1 CCNC1=CC=C(C=C1)O Z1823256830 [1,1,0,0,0,0|1,0,0]=3 593 B10R1.1 CCNC1=CNC(=O)C=C1 Z5871830340 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.1 CCNC1=NC=C(C=C1)Br Z359297778 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.1 CCNC1=NC=C(C=C1)I Z2233927789 [1,1,0,0,0,0|2,0,0]=4 596 B10R1.1 CCOC1=CC=C(C=C1)C Z53834228 [1,1,0,0,0,0|1,0,0]=3 597 B10R1.1 CCOC1=CC=C(C=C1)N Z57127438 [1,1,0,0,0,0|1,0,0]=3 598 B10R1.1 CCOC1=CC=C(C=C1)S Z166646982 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.1 CCOC1=NC=C(C=C1)N Z240084310 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.1 CCSC1=NC=C(C=C1)Br Z742922262 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.1 CCSC1=NC=C(C=C1)N Z332377604 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.1 CNCC1=CC=C(C=C1)Br Z56175269 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.1 CNCC1=CC=C(C=C1)C Z56944115 [1,1,0,0,0,0|1,0,0]=3 604 B10R1.1 CNCC1=CC=C(C=C1)Cl Z56956070 [1,1,0,0,0,0|1,0,0]=3 605 B10R1.1 CNCC1=CC=C(C=C1)F Z56963340 [1,1,0,0,0,0|1,0,0]=3 606 B10R1.1 CNCC1=CC=C(C=C1)I Z4242747560 [1,1,0,0,0,0|1,0,0]=3 607 B10R1.1 CNCC1=CN=C(C=C1)Cl Z265498862 [1,1,0,0,0,0|2,0,0]=4 608 B10R1.1 CNCC1=CN=C(C=C1)F Z1745074466 [1,1,0,0,0,0|2,0,0]=4 609 B10R1.1 CNCC1=CN=C(C=C1)N Z1255388567 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.1 CNCC1=NC=C(C=C1)Br Z5436471179 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.1 CNCC1=NC=C(C=C1)C Z1255425232 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.1 COCC1=CC=C(C=C1)N Z240084568 [1,1,0,0,0,0|1,0,0]=3 613 B10R1.1 CSCC1=CC=C(C=C1)Br Z19854469 [1,1,0,0,0,0|1,0,0]=3 614 B10R1.1 CSCC1=CC=C(C=C1)N Z732207336 [1,1,0,0,0,0|1,0,0]=3 615 B10R1.1 CSCC1=CN=C(C=C1)Cl Z732206922 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.1 N#CCC1=CC=C(C=C1)F Z89283961 [1,1,0,0,0,0|0,0,2]=4 617 B10R1.1 N#CCC1=CC=C(C=C1)N Z90122117 [1,1,0,0,0,0|0,0,2]=4 618 B10R1.1 N#CCC1=CC=C(C=C1)O Z90120144 [1,1,0,0,0,0|0,0,2]=4 619 B10R1.1 NC1=CC=C(C=C1)CCO Z276600190 [1,1,0,0,0,0|1,0,0]=3 620 B10R1.1 NC1=CN=C(C=C1)CCO Z1898597735 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.1 NCCC1=CC=C(C=C1)Br Z285143750 [1,1,0,0,0,0|0,0,0]=2 622 B10R1.1 NCCC1=CC=C(C=C1)Cl Z57051065 [1,1,0,0,0,0|0,0,0]=2 623 B10R1.1 NCCC1=CC=C(C=C1)F Z90122126 [1,1,0,0,0,0|0,0,0]=2 624 B10R1.1 NCCC1=CC=C(C=C1)I Z2515133713 [1,1,0,0,0,0|0,0,0]=2 625 B10R1.1 NCCC1=CC=C(C=C1)O Z744729058 [1,1,0,0,0,0|0,0,0]=2 626 B10R1.1 NCCC1=CN=C(C=C1)Cl Z1198178633 [1,1,0,0,0,0|1,0,0]=3 627 B10R1.1 NCCC1=CN=C(N=C1)O Z2725055726 [1,1,0,0,0,0|2,0,0]=4 628 B10R1.1 NCCC1=NC=C(C=C1)F Z2238508662 [1,1,0,0,0,0|1,0,0]=3 629 B10R1.1 NCCC1=NC=C(C=C1)O Z2350909287 [1,1,0,0,0,0|1,0,0]=3 630 B10R1.1 NCCC1=NC=C(C=N1)Br Z4752114140 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.1 NOCC1=CC=C(C=C1)Cl Z1198164677 [1,1,0,0,0,0|1,0,0]=3 632 B10R1.1 O=CCC1=CC=C(C=C1)Br Z1079442512 [1,1,0,0,0,0|1,0,1]=4 633 B10R1.1 O=CCC1=CC=C(C=C1)Cl Z993017718 [1,1,0,0,0,0|1,0,1]=4 634 B10R1.1 O=CCC1=CC=C(C=C1)F Z993017752 [1,1,0,0,0,0|1,0,1]=4 635 B10R1.1 OCCC1=CC=C(C=C1)Br Z397587340 [1,1,0,0,0,0|1,0,0]=3 636 B10R1.1 OCCC1=CC=C(C=C1)F Z397587326 [1,1,0,0,0,0|1,0,0]=3 637 B10R1.1 OCCC1=CC=C(C=C1)O Z1250886919 [1,1,0,0,0,0|1,0,0]=3 638 B10R1.4 C=CCC1=C(C=CC=C1)O Z104493210 [1,1,0,0,0,0|0,0,2]=4 639 B10R1.4 CC1=C(C=CC=C1)CC#N Z57039593 [1,1,0,0,0,0|0,0,2]=4 640 B10R1.4 CC1=C(C=CC=C1)CC=O Z993017618 [1,1,0,0,0,0|1,0,1]=4 641 B10R1.4 CC1=C(C=CC=C1)CNN Z336481586 [1,1,0,0,0,0|1,0,0]=3 642 B10R1.4 CC1=C(C=NC=C1)CCN Z1198264124 [1,1,0,0,0,0|1,0,0]=3 643 B10R1.4 CC1=C(N=CC=C1)CCN Z1098234132 [1,1,0,0,0,0|1,0,0]=3 644 B10R1.4 CC1=C(N=CC=C1)CCO Z1198169041 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.4 CCCC1=C(C=CC=C1)Br Z1479686725 [1,1,0,0,0,0|0,0,0]=2 646 B10R1.4 CCCC1=C(C=CC=C1)I Z821158622 [1,1,0,0,0,0|0,0,0]=2 647 B10R1.4 CCCC1=C(C=CC=C1)N Z336087926 [1,1,0,0,0,0|0,0,0]=2 648 B10R1.4 CCCC1=C(N=CC=N1)Cl Z1504680268 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.4 CCNC1=C(C=CC=C1)C Z104477886 [1,1,0,0,0,0|1,0,0]=3 650 B10R1.4 CCNC1=C(C=CC=C1)F Z286518592 [1,1,0,0,0,0|1,0,0]=3 651 B10R1.4 CCNC1=C(C=CC=C1)I Z4405452872 [1,1,0,0,0,0|1,0,0]=3 652 B10R1.4 CCNC1=C(C=CC=C1)N Z359511482 [1,1,0,0,0,0|1,0,0]=3 653 B10R1.4 CCNC1=C(C=CC=C1)O Z5185414820 [1,1,0,0,0,0|1,0,0]=3 654 B10R1.4 CCNC1=C(C=CC=N1)C Z968907586 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.4 CCNC1=C(C=CC=N1)N Z803145254 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.4 CCNC1=C(C=CN=C1)C Z1946684572 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.4 CCNC1=C(C=NC=C1)N Z359511456 [1,1,0,0,0,0|2,0,0]=4 658 B10R1.4 CCOC1=C(C=CC=C1)Br Z153728256 [1,1,0,0,0,0|1,0,0]=3 659 B10R1.4 CCOC1=C(C=CC=C1)I Z406416174 [1,1,0,0,0,0|1,0,0]=3 660 B10R1.4 CCOC1=C(C=CC=C1)N Z104478442 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.4 CCOC1=C(C=CC=C1)O Z104480244 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.4 CCOC1=C(C=CC=N1)N Z240084312 [1,1,0,0,0,0|2,0,0]=4 663 B10R1.4 CCOC1=C(N=CC=C1)N Z362783900 [1,1,0,0,0,0|2,0,0]=4 664 B10R1.4 CCSC1=C(C=CC=C1)Br Z149386616 [1,1,0,0,0,0|1,0,0]=3 665 B10R1.4 CCSC1=C(C=CC=C1)N Z316174690 [1,1,0,0,0,0|1,0,0]=3 666 B10R1.4 CCSC1=C(C=CC=C1)O Z905204460 [1,1,0,0,0,0|1,0,0]=3 667 B10R1.4 CCSC1=CC=CNC1=O Z1509297963 [1,1,0,0,0,0|2,0,0]=4 668 B10R1.4 CCSC1=[N+](C=CC=C1)[O-] Z18546433 [1,1,0,0,0,0|2,0,0]=4 669 B10R1.4 CNCC1=C(C=CC=C1)C Z56948272 [1,1,0,0,0,0|1,0,0]=3 670 B10R1.4 CNCC1=C(C=CC=C1)Cl Z56955956 [1,1,0,0,0,0|1,0,0]=3 671 B10R1.4 CNCC1=C(C=CC=C1)F Z56953087 [1,1,0,0,0,0|1,0,0]=3 672 B10R1.4 CNCC1=C(C=CC=C1)N Z764242576 [1,1,0,0,0,0|1,0,0]=3 673 B10R1.4 CNCC1=C(C=CC=C1)O Z398513608 [1,1,0,0,0,0|1,0,0]=3 674 B10R1.4 CNCC1=C(C=CC=N1)Cl Z5392638231 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.4 CNCC1=C(C=NC=C1)F Z4545616296 [1,1,0,0,0,0|2,0,0]=4 676 B10R1.4 COCC1=C(C=CC=C1)I Z821093342 [1,1,0,0,0,0|1,0,0]=3 677 B10R1.4 COCC1=C(C=CC=C1)O Z821093528 [1,1,0,0,0,0|1,0,0]=3 678 B10R1.4 COCC1=C(N=CC=C1)N Z991490684 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.4 CSCC1=C(C=CC=C1)N Z732207148 [1,1,0,0,0,0|1,0,0]=3 680 B10R1.4 N#CCC1=C(C=CC=C1)Cl Z56904744 [1,1,0,0,0,0|0,0,2]=4 681 B10R1.4 N#CCC1=C(C=CC=C1)F Z104477228 [1,1,0,0,0,0|0,0,2]=4 682 B10R1.4 NC1=C(C=CC=C1)CCO Z3417485770 [1,1,0,0,0,0|1,0,0]=3 683 B10R1.4 NCCC1=C(C=CC=C1)Br Z295382782 [1,1,0,0,0,0|0,0,0]=2 684 B10R1.4 NCCC1=C(C=CC=C1)Cl Z285143744 [1,1,0,0,0,0|0,0,0]=2 685 B10R1.4 NCCC1=C(C=CC=C1)F Z57051087 [1,1,0,0,0,0|0,0,0]=2 686 B10R1.4 NCCC1=C(C=CC=C1)O Z594038184 [1,1,0,0,0,0|0,0,0]=2 687 B10R1.4 NCCC1=C(N=CC=C1)O Z5862214540 [1,1,0,0,0,0|1,0,0]=3 688 B10R1.4 NCCN1C=CC=CC1=O Z1891776659 [1,1,0,0,0,0|1,0,0]=3 689 B10R1.4 NCCN1C=CC=NC1=O Z3038857671 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.4 NCCN1C=NC=CC1=O Z2379084242 [1,1,0,0,0,0|2,0,0]=4 691 B10R1.4 NCCN1N=CC=CC1=O Z1021422614 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.4 O=C1C=CC=CN1CCO Z234898059 [1,1,0,0,0,0|2,0,0]=4 693 B10R1.4 O=CCC1=C(C=CC=C1)Br Z1183459130 [1,1,0,0,0,0|1,0,1]=4 694 B10R1.4 O=CCC1=C(C=CC=C1)F Z993017796 [1,1,0,0,0,0|1,0,1]=4 695 B10R1.4 OCCC1=C(C=CC=C1)Br Z1183459188 [1,1,0,0,0,0|1,0,0]=3 696 B10R1.4 OCCC1=C(C=CC=C1)F Z397587382 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.10 CC1=CC(=CC=C1)CC#N Z285131450 [1,1,0,0,0,0|0,0,2]=4 698 B10R1.10 CC1=CC(=CC=C1)CCN Z241056516 [1,1,0,0,0,0|0,0,0]=2 699 B10R1.10 CC1=NC(=CC=C1)CCN Z1098234194 [1,1,0,0,0,0|1,0,0]=3 700 B10R1.10 CCCC1=CC(=CC=C1)Br Z1541586975 [1,1,0,0,0,0|0,0,0]=2 701 B10R1.10 CCCC1=CC(=NN=C1)Cl Z4580564381 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.10 CCCC1=CC(=NN=C1)N Z4580562529 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.10 CCCC1=CC(=O)NN=C1 Z1198341234 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.10 CCCC1=NC(=CC=N1)N Z856211250 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.10 CCNC1=CC(=CC=C1)Br Z1217910559 [1,1,0,0,0,0|1,0,0]=3 706 B10R1.10 CCNC1=CC(=CC=C1)C Z56785946 [1,1,0,0,0,0|1,0,0]=3 707 B10R1.10 CCNC1=CC(=CC=C1)Cl Z286371690 [1,1,0,0,0,0|1,0,0]=3 708 B10R1.10 CCNC1=CC(=NC=C1)Cl Z979422192 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.10 CCOC1=CC(=CC=C1)Br Z53833934 [1,1,0,0,0,0|1,0,0]=3 710 B10R1.10 CCOC1=CC(=CC=C1)I Z54181578 [1,1,0,0,0,0|1,0,0]=3 711 B10R1.10 CCOC1=CC(=NC=C1)N Z1198157310 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.10 CCOC1=NC(=CC=C1)C Z1198168604 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.10 CCOC1=NC(=CC=C1)N Z1139188017 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.10 CCSC1=CC(=CC=C1)Br Z1090207966 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.10 CCSC1=CC(=CC=C1)N Z600393424 [1,1,0,0,0,0|1,0,0]=3 716 B10R1.10 CCSC1=CC(=NC=C1)Cl Z1157653444 [1,1,0,0,0,0|2,0,0]=4 717 B10R1.10 CCSC1=CC=CC(=O)N1 Z3004833863 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.10 CNCC1=CC(=CC=C1)C Z102766992 [1,1,0,0,0,0|1,0,0]=3 719 B10R1.10 CNCC1=CC(=CC=C1)Cl Z56963343 [1,1,0,0,0,0|1,0,0]=3 720 B10R1.10 CNCC1=CC(=CC=C1)F Z56946085 [1,1,0,0,0,0|1,0,0]=3 721 B10R1.10 CNCC1=CC(=CC=C1)I Z3302798080 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.10 CNCC1=CC(=CC=C1)O Z102766970 [1,1,0,0,0,0|1,0,0]=3 723 B10R1.10 CNCC1=CC(=CN=C1)Br Z5095377359 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.10 CNCC1=CC=CC(=O)N1 Z2895739022 [1,1,0,0,0,0|2,0,0]=4 725 B10R1.10 CNCC1=NC(=CC=C1)C Z1255523287 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.10 CNCC1=NC=CC(=C1)C Z5443664854 [1,1,0,0,0,0|2,0,0]=4 727 B10R1.10 CNCC1=NC=CC(=C1)Cl Z3214695745 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.10 COCC1=CC(=CC=C1)N Z285163816 [1,1,0,0,0,0|1,0,0]=3 729 B10R1.10 COCC1=CC(=CC=C1)O Z821093526 [1,1,0,0,0,0|1,0,0]=3 730 B10R1.10 COCC1=CC(=NC=C1)N Z991490692 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.10 CSCC1=CC(=CC=C1)Br Z17129082 [1,1,0,0,0,0|1,0,0]=3 732 B10R1.10 CSCC1=CC(=CC=C1)N Z732207152 [1,1,0,0,0,0|1,0,0]=3 733 B10R1.10 CSCC1=CC(=NC=C1)N Z991494168 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.10 N#CCC1=CC=CC(=C1)Cl Z57039594 [1,1,0,0,0,0|0,0,2]=4 735 B10R1.10 N#CCC1=CC=CC(=C1)F Z104477994 [1,1,0,0,0,0|0,0,2]=4 736 B10R1.10 N#CCC1=CC=CC(=C1)N Z90120426 [1,1,0,0,0,0|0,0,2]=4 737 B10R1.10 N#CCC1=CC=CC(=C1)O Z1198161712 [1,1,0,0,0,0|0,0,2]=4 738 B10R1.10 NC1=CC(=CC=C1)CCO Z1198160776 [1,1,0,0,0,0|1,0,0]=3 739 B10R1.10 NC1=NC=CC(=C1)CCO Z1197888440 [1,1,0,0,0,0|2,0,0]=4 740 B10R1.10 NCCC1=CC(=CC=C1)Br Z285143760 [1,1,0,0,0,0|0,0,0]=2 741 B10R1.10 NCCC1=CC(=CC=C1)Cl Z57051063 [1,1,0,0,0,0|0,0,0]=2 742 B10R1.10 NCCC1=CC(=CC=C1)F Z96092963 [1,1,0,0,0,0|0,0,0]=2 743 B10R1.10 NCCC1=CC(=CC=C1)I Z4874662549 [1,1,0,0,0,0|0,0,0]=2 744 B10R1.10 NCCC1=CC(=CC=C1)O Z935140764 [1,1,0,0,0,0|0,0,0]=2 745 B10R1.10 NCCC1=CC(=CN=C1)O Z1504671788 [1,1,0,0,0,0|1,0,0]=3 746 B10R1.10 NCCC1=CC(=NC=C1)N Z2310698980 [1,1,0,0,0,0|1,0,0]=3 747 B10R1.10 NCCC1=NC(=NC=C1)N Z5619121124 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.10 NCCC1=NC=NC(=C1)Br Z4513781102 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.10 NCCC1=NC=NC(=C1)O Z2310716008 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.10 NOCC1=CC(=CC=C1)Cl Z1198339567 [1,1,0,0,0,0|1,0,0]=3 751 B10R1.10 O=CCC1=CC=CC(=C1)Br Z1079442816 [1,1,0,0,0,0|1,0,1]=4 752 B10R1.10 O=CCC1=CC=CC(=C1)Cl Z993017836 [1,1,0,0,0,0|1,0,1]=4 753 B10R1.10 OCCC1=CC(=CC=C1)Cl Z992289382 [1,1,0,0,0,0|1,0,0]=3 754 B10R1.10 OCCC1=CC(=CC=C1)F Z397587224 [1,1,0,0,0,0|1,0,0]=3 755 B10R1.15 C=C(CN)C1=CC=CC=C1 Z2065464323 [1,1,0,0,0,0|0,0,1]=3 756 B10R1.15 C=CC(O)C1=CC=CC=C1 Z1255438717 [1,1,0,0,0,0|0,0,2]=4 757 B10R1.15 CC(C=O)C1=CC=CC=C1 Z104495674 [1,1,0,0,0,0|1,0,1]=4 758 B10R1.15 CC(CBr)C1=CC=CC=C1 Z756118300 [1,1,0,0,0,0|1,0,0]=3 759 B10R1.15 CC(CN)C1=CC=NC=C1 Z415654978 [1,1,0,0,0,0|1,0,0]=3 760 B10R1.15 CCC(=O)C1=CC=CC=C1 Z104473068 [1,1,0,0,0,0|0,0,1]=3 761 B10R1.15 CCC(=O)C1=CC=NC=C1 Z513733916 [1,1,0,0,0,0|1,0,1]=4 762 B10R1.15 CCC(N)C1=CC=CC=C1 Z1262252904 [1,1,0,0,0,0|0,0,0]=2 763 B10R1.15 CCC(N)C1=CC=NC=C1 Z228583312 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.15 CCC(O)C1=CC=CC=C1 Z335245178 [1,1,0,0,0,0|0,0,0]=2 765 B10R1.15 CCC(O)C1=CC=NC=C1 Z513749638 [1,1,0,0,0,0|1,0,0]=3 766 B10R1.15 CNC(=N)C1=CC=CC=C1 Z2096088186 [1,1,0,0,0,0|1,0,1]=4 767 B10R1.15 CNC(=O)C1=CC=CC=C1 Z32016410 [1,1,0,0,0,0|1,0,1]=4 768 B10R1.15 CNC(C)C1=CC=CC=C1 Z85917524 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.15 CNC(C)C1=CN=CC=C1 Z451350188 [1,1,0,0,0,0|2,0,0]=4 770 B10R1.15 CNC(C)C1=NC=CC=C1 Z451350194 [1,1,0,0,0,0|2,0,0]=4 771 B10R1.15 COC(=O)C1=CC=CC=C1 Z19825577 [1,1,0,0,0,0|1,0,1]=4 772 B10R1.15 C[C@H](CN)C1=CC=CC=C1 Z1203578128 [1,1,0,0,0,0|0,0,0]=2 773 B10R1.15 N#CC(Br)C1=CC=CC=C1 Z1198157485 [1,1,0,0,0,0|0,0,2]=4 774 B10R1.15 NC(CO)C1=CC=CC=C1 Z381674942 [1,1,0,0,0,0|1,0,0]=3 775 B10R1.15 NC(CO)C1=CN=CC=C1 Z2350903961 [1,1,0,0,0,0|2,0,0]=4 776 B10R1.15 NCC(=O)C1=CC=CC=C1 Z600428568 [1,1,0,0,0,0|0,0,1]=3 777 B10R1.15 NCC(=O)C1=CC=NC=C1 Z2677521709 [1,1,0,0,0,0|1,0,1]=4 778 B10R1.15 NCC(N)C1=CC=CC=C1 Z425861034 [1,1,0,0,0,0|0,0,0]=2 779 B10R1.15 NCC(O)C1=CC=CC=C1 Z104476088 [1,1,0,0,0,0|0,0,0]=2 780 B10R1.15 NCC(O)C1=CN=CC=C1 Z336086578 [1,1,0,0,0,0|1,0,0]=3 781 B10R1.15 NCC(O)C1=NC=CC=C1 Z802671456 [1,1,0,0,0,0|1,0,0]=3 782 B10R1.15 NNC(=O)C1=CC=CC=C1 Z56926669 [1,1,0,0,0,0|1,0,1]=4 783 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 Z1201618614 [1,1,0,0,0,0|1,0,0]=3 784 B10R1.15 N[C@H](CO)C1=CC=CC=C1 Z1101444224 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.15 O=C(CCl)C1=CC=CC=C1 Z57834468 [1,1,0,0,0,0|1,0,1]=4 786 B10R1.15 O=C(CO)C1=CC=CC=C1 Z906206792 [1,1,0,0,0,0|1,0,1]=4 787 B10R1.15 OCC(O)C1=CC=NC=C1 Z2736474279 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.15 OCC(O)C1=NC=CC=C1 Z4985119178 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.18 CC(=O)CC1=CC=NC=C1 Z992409812 [1,1,0,0,0,0|1,0,1]=4 790 B10R1.18 CC(=O)NC1=CC=CC=C1 Z27782600 [1,1,0,0,0,0|1,0,1]=4 791 B10R1.18 CC(C)CC1=CC=CC=C1 Z104486386 [1,1,0,0,0,0|0,0,0]=2 792 B10R1.18 CC(C)CC1=NC=CC=C1 Z1201621742 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.18 CC(C)NC1=CC=CC=C1 Z104475020 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.18 CC(C)NC1=CN=CC=C1 Z334882282 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.18 CC(C)OC1=CC=CC=C1 Z53833867 [1,1,0,0,0,0|1,0,0]=3 796 B10R1.18 CC(C)OC1=CC=NC=C1 Z1140308716 [1,1,0,0,0,0|2,0,0]=4 797 B10R1.18 CC(N)CC1=CC=NC=C1 Z285143992 [1,1,0,0,0,0|1,0,0]=3 798 B10R1.18 CC(O)CC1=CC=CC=C1 Z513749298 [1,1,0,0,0,0|0,0,0]=2 799 B10R1.18 CC(O)CC1=CC=NC=C1 Z992409872 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.18 CC(O)CC1=NC=CC=C1 Z513750714 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.18 CN(C)CC1=CN=CC=C1 Z140563088 [1,1,0,0,0,0|2,0,0]=4 802 B10R1.18 CN(C)CC1=NC=CC=C1 Z4614651190 [1,1,0,0,0,0|2,0,0]=4 803 B10R1.18 N=C(N)CC1=CC=CC=C1 Z600428462 [1,1,0,0,0,0|0,0,1]=3 804 B10R1.18 N=C(N)CC1=CC=NC=C1 Z2441004470 [1,1,0,0,0,0|1,0,1]=4 805 B10R1.18 N=C(N)CC1=CN=CC=C1 Z2350941593 [1,1,0,0,0,0|1,0,1]=4 806 B10R1.18 NC(=O)CC1=CC=CC=C1 Z33546508 [1,1,0,0,0,0|0,0,1]=3 807 B10R1.18 NC(=O)CC1=CC=NC=C1 Z234895093 [1,1,0,0,0,0|1,0,1]=4 808 B10R1.18 NC(=O)OC1=CC=CC=C1 Z33547080 [1,1,0,0,0,0|1,0,1]=4 809 B10R1.18 NC(=S)CC1=CC=CC=C1 Z56928578 [1,1,0,0,0,0|0,0,1]=3 810 B10R1.18 NC(=S)NC1=CC=CC=C1 Z57474172 [1,1,0,0,0,0|1,0,1]=4 811 B10R1.18 O=S(O)CC1=CC=CC=C1 Z3211806022 [1,1,0,0,0,0|2,0,0]=4 812 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 Z995236210 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.18 OB(O)CC1=CC=CC=C1 Z1147227831 [1,1,0,0,0,0|2,0,0]=4 814 B10R1.11 NC(CCO)C1=CC=CS1 Z979743758 [0,1,0,0,1,0|2,0,0]=4 815 B10R1.16 CC1=CN(N=C1)CCCN Z600430706 [0,1,0,0,1,0|2,0,0]=4 816 B10R1.16 CC1=CSC(=N1)CCCN Z994258928 [0,1,0,0,1,0|2,0,0]=4 817 B10R1.16 CC1=NOC(=C1)CCCN Z4499620658 [0,1,0,0,1,0|2,0,0]=4 818 B10R1.16 CN1C=C(C=N1)CCCN Z851015102 [0,1,0,0,1,0|2,0,0]=4 819 B10R1.16 CN1C=CC(=N1)CCCN Z4504459259 [0,1,0,0,1,0|2,0,0]=4 820 B10R1.16 CN1C=NC(=C1)CCCN Z4510431269 [0,1,0,0,1,0|2,0,0]=4 821 B10R1.16 NCCCC1=CC(=NO1)O Z3214695832 [0,1,0,0,1,0|2,0,0]=4 822 B10R1.16 OCCCC1=CC(=CS1)Br Z993012592 [0,1,0,0,1,0|2,0,0]=4 823 B10R1.21 CCNCCC1=CC=CS1 Z162417018 [0,1,0,0,1,0|2,0,0]=4 824 B10R1.21 CNCCCN1C=CN=C1 Z138029274 [0,1,0,0,1,0|2,0,0]=4 825 B10R1.21 N#CCCCC1=CSC=C1 Z1188366398 [0,1,0,0,1,0|1,0,1]=4 826 B10R1.21 NCCCCC1=CNN=C1 Z1203591855 [0,1,0,0,1,0|2,0,0]=4 827 B10R1.21 NCCCCC1=NC=CS1 Z1263529637 [0,1,0,0,1,0|2,0,0]=4 828 B10R1.21 NCCCCN1C=CN=C1 Z285163712 [0,1,0,0,1,0|2,0,0]=4 829 B10R1.21 NCCCSC1=NC=CS1 Z764962842 [0,1,0,0,1,0|2,0,0]=4 830 B10R1.21 NCCSCC1=CSC=C1 Z111412082 [0,1,0,0,1,0|1,0,0]=3 831 B10R1.21 OCCNCC1=CSC=C1 Z993991124 [0,1,0,0,1,0|2,0,0]=4 832 B10R1.27 CC(CN)CC1=CC=CS1 Z992308868 [0,1,0,0,1,0|1,0,0]=3 833 B10R1.27 CC(CN)CN1C=CC=N1 Z406339312 [0,1,0,0,1,0|2,0,0]=4 834 B10R1.27 CC(CN)CN1C=CN=C1 Z445226240 [0,1,0,0,1,0|2,0,0]=4 835 B10R1.27 OCC(O)CN1C=CC=C1 Z1255436209 [0,1,0,0,1,0|2,0,0]=4 836 B10R1.29 CC1=C(C=NN1)CCCN Z271128608 [0,1,0,0,1,0|2,0,0]=4 837 B10R1.29 CC1=C(SC=N1)CCCN Z945859360 [0,1,0,0,1,0|2,0,0]=4 838 B10R1.29 CC1=CN=CN1CCCN Z1511514269 [0,1,0,0,1,0|2,0,0]=4 839 B10R1.29 CC1=COC=C1CCCO Z1486026672 [0,1,0,0,1,0|2,0,0]=4 840 B10R1.29 CC1=NC=CN1CCCN Z271005732 [0,1,0,0,1,0|2,0,0]=4 841 B10R1.29 CN1N=CC=C1CCCN Z3702582641 [0,1,0,0,1,0|2,0,0]=4 842 B10R1.66 CC(N)CCC1=CNN=C1 Z5355227297 [0,1,0,0,1,0|2,0,0]=4 843 B12R1.1 C#CCNCC1=CC=C(C=C1)C Z857666950 [0,2,0,0,0,0|1,0,1]=4 844 B12R1.1 C#CCNCC1=CC=C(C=C1)F Z951367660 [0,2,0,0,0,0|1,0,1]=4 845 B12R1.1 CC1=CC=C(C=C1)CNCCO Z57328136 [0,2,0,0,0,0|1,0,0]=3 846 B12R1.1 CC1=CC=C(C=C1)NCCC#N Z56887629 [0,2,0,0,0,0|0,0,2]=4 847 B12R1.1 CC1=CC=C(C=C1)OCCC#N Z54337098 [0,2,0,0,0,0|0,0,2]=4 848 B12R1.1 CC1=CC=C(C=C1)OCCCN Z285166764 [0,2,0,0,0,0|0,0,0]=2 849 B12R1.1 CC1=CC=C(C=C1)SCCC#N Z54555980 [0,2,0,0,0,0|0,0,2]=4 850 B12R1.1 CC1=CN=C(C=C1)NCCCN Z1267881688 [0,2,0,0,0,0|1,0,0]=3 851 B12R1.1 CCCCOC1=CC=C(C=C1)O Z381414690 [0,2,0,0,0,0|1,0,0]=3 852 B12R1.1 CCCCOC1=NC=C(C=C1)N Z409191158 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.1 CCCNCC1=CC=C(C=C1)F Z57065603 [0,2,0,0,0,0|1,0,0]=3 854 B12R1.1 CNC/C=C/C1=CC=C(C=C1)Br Z1834223589 [0,2,0,0,0,0|0,0,2]=4 855 B12R1.1 CNCCOC1=CC=C(C=C1)Br Z55993065 [0,2,0,0,0,0|1,0,0]=3 856 B12R1.1 CNCCOC1=CC=C(C=C1)C Z138105388 [0,2,0,0,0,0|1,0,0]=3 857 B12R1.1 CNCCOC1=CC=C(C=C1)Cl Z56963344 [0,2,0,0,0,0|1,0,0]=3 858 B12R1.1 CNCCOC1=CC=C(C=C1)F Z138105420 [0,2,0,0,0,0|1,0,0]=3 859 B12R1.1 CNCCOC1=CC=C(C=C1)O Z1209979801 [0,2,0,0,0,0|1,0,0]=3 860 B12R1.1 COCCNC1=CC=C(C=C1)N Z812516870 [0,2,0,0,0,0|2,0,0]=4 861 B12R1.1 COCCOC1=CC=C(C=C1)Br Z167838728 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.1 COCCOC1=CC=C(C=C1)F Z285938284 [0,2,0,0,0,0|2,0,0]=4 863 B12R1.1 COCCOC1=CC=C(C=C1)O Z381414750 [0,2,0,0,0,0|2,0,0]=4 864 B12R1.1 COCCOC1=CC=C(C=C1)S Z1689885585 [0,2,0,0,0,0|2,0,0]=4 865 B12R1.1 COCCSC1=CC=C(C=C1)N Z412014166 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.1 CSCCOC1=CC=C(C=C1)I Z54518503 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.1 ClC1=CC=C(C=C1)OCCCBr Z90122426 [0,2,0,0,0,0|1,0,0]=3 868 B12R1.1 FC1=CC=C(C=C1)OCCCBr Z90122147 [0,2,0,0,0,0|1,0,0]=3 869 B12R1.1 FC1=CC=C(C=C1)OCCCCl Z56347250 [0,2,0,0,0,0|1,0,0]=3 870 B12R1.1 N#CCCNC1=CC=C(C=C1)Br Z56855204 [0,2,0,0,0,0|0,0,2]=4 871 B12R1.1 N#CCCNC1=CC=C(C=C1)Cl Z56938006 [0,2,0,0,0,0|0,0,2]=4 872 B12R1.1 N#CCCNC1=CC=C(C=C1)F Z56813500 [0,2,0,0,0,0|0,0,2]=4 873 B12R1.1 N#CCCOC1=CC=C(C=C1)Br Z54336945 [0,2,0,0,0,0|0,0,2]=4 874 B12R1.1 N#CCCOC1=CC=C(C=C1)F Z54337110 [0,2,0,0,0,0|0,0,2]=4 875 B12R1.1 N#CCCSC1=CC=C(C=C1)F Z54340130 [0,2,0,0,0,0|0,0,2]=4 876 B12R1.1 N#CCSCC1=CC=C(C=C1)Cl Z18433100 [0,2,0,0,0,0|0,0,2]=4 877 B12R1.1 NC1=CC=C(C=C1)CCCCO Z1262622677 [0,2,0,0,0,0|1,0,0]=3 878 B12R1.1 NC1=CC=C(C=C1)COCCO Z332379572 [0,2,0,0,0,0|1,0,0]=3 879 B12R1.1 NC1=CC=C(C=C1)OCCCO Z382707186 [0,2,0,0,0,0|1,0,0]=3 880 B12R1.1 NC1=CC=C(C=C1)SCCCO Z412012390 [0,2,0,0,0,0|1,0,0]=3 881 B12R1.1 NCC/C=C/C1=CC=C(C=C1)Br Z2651620817 [0,2,0,0,0,0|0,0,1]=3 882 B12R1.1 NCCCCC1=CC=C(C=C1)Br Z5880376049 [0,2,0,0,0,0|0,0,0]=2 883 B12R1.1 NCCCCC1=CC=C(C=C1)Cl Z3234944947 [0,2,0,0,0,0|0,0,0]=2 884 B12R1.1 NCCCOC1=CC=C(C=C1)F Z271006096 [0,2,0,0,0,0|0,0,0]=2 885 B12R1.1 NCCCSC1=CC=C(C=C1)F Z56988241 [0,2,0,0,0,0|0,0,0]=2 886 B12R1.1 NCCOCC1=CC=C(C=C1)Cl Z1511495255 [0,2,0,0,0,0|0,0,0]=2 887 B12R1.1 NCCSCC1=CC=C(C=C1)Cl Z1891773800 [0,2,0,0,0,0|0,0,0]=2 888 B12R1.1 NCCSCC1=CN=C(C=C1)Cl Z406685558 [0,2,0,0,0,0|1,0,0]=3 889 B12R1.1 NNCCOC1=CC=C(C=C1)Cl Z94597880 [0,2,0,0,0,0|1,0,0]=3 890 B12R1.1 OCCCNC1=CC=C(C=C1)Cl Z104647680 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.1 OCCCOC1=CC=C(C=C1)Br Z425795726 [0,2,0,0,0,0|1,0,0]=3 892 B12R1.1 OCCCOC1=CC=C(C=C1)F Z228585902 [0,2,0,0,0,0|1,0,0]=3 893 B12R1.1 OCCNCC1=CC=C(C=C1)F Z3225797537 [0,2,0,0,0,0|1,0,0]=3 894 B12R1.16 CCCC(=O)C1=CC=C(C=C1)Cl Z104483624 [0,2,0,0,0,0|1,0,1]=4 895 B12R1.16 CCCC(N)C1=CC=C(C=C1)Cl Z1416203204 [0,2,0,0,0,0|1,0,0]=3 896 B12R1.16 CCNC(C)C1=CC=C(C=C1)F Z451452334 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.16 CN(CCO)C1=CC=C(C=C1)F Z905079510 [0,2,0,0,0,0|2,0,0]=4 898 B12R1.16 CN(CCO)C1=CC=C(C=C1)N Z359383966 [0,2,0,0,0,0|2,0,0]=4 899 B12R1.16 CNCC(O)C1=CC=C(C=C1)F Z1263820285 [0,2,0,0,0,0|2,0,0]=4 900 B12R1.16 COCC(N)C1=CC=C(C=C1)F Z1297772361 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.16 NC(CCO)C1=CC=C(C=C1)Br Z979743656 [0,2,0,0,0,0|1,0,0]=3 902 B12R1.16 NC(CCO)C1=CC=C(C=C1)F Z979743658 [0,2,0,0,0,0|1,0,0]=3 903 B12R1.16 O=C(CCCl)C1=CC=C(C=C1)F Z104478542 [0,2,0,0,0,0|1,0,1]=4 904 B12R1.21 CC(=O)CCC1=CC=C(C=C1)C Z406376788 [0,2,0,0,0,0|1,0,1]=4 905 B12R1.21 CC(=O)CCC1=CC=C(C=C1)F Z406376784 [0,2,0,0,0,0|1,0,1]=4 906 B12R1.21 CC(=O)CCC1=CC=C(C=C1)I Z1263632422 [0,2,0,0,0,0|1,0,1]=4 907 B12R1.21 CC(C)CCC1=CC=C(C=C1)N Z424736042 [0,2,0,0,0,0|1,0,0]=3 908 B12R1.21 CC(C)CNC1=CC=C(C=C1)Cl Z1695729058 [0,2,0,0,0,0|2,0,0]=4 909 B12R1.21 CC(C)COC1=CC=C(C=C1)O Z381414742 [0,2,0,0,0,0|2,0,0]=4 910 B12R1.21 CC(C)NCC1=CC=C(C=C1)Br Z86129856 [0,2,0,0,0,0|2,0,0]=4 911 B12R1.21 CC(C)NCC1=CC=C(C=C1)F Z86129862 [0,2,0,0,0,0|2,0,0]=4 912 B12R1.21 CC(C)OCC1=CC=C(C=C1)Br Z823855528 [0,2,0,0,0,0|2,0,0]=4 913 B12R1.21 CC(C)OCC1=CC=C(C=C1)N Z285178068 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.21 CC(C)SCC1=CC=C(C=C1)Br Z54548572 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.21 CC(N)CCC1=CC=C(C=C1)Br Z235361851 [0,2,0,0,0,0|0,0,0]=2 916 B12R1.21 CC(N)CCC1=CC=C(C=C1)I Z1947443961 [0,2,0,0,0,0|0,0,0]=2 917 B12R1.21 CC(N)CCC1=CC=C(C=C1)O Z220327456 [0,2,0,0,0,0|0,0,0]=2 918 B12R1.21 CC(N)COC1=CC=C(C=C1)F Z271017038 [0,2,0,0,0,0|1,0,0]=3 919 B12R1.21 CC(O)CCC1=CC=C(C=C1)O Z57921369 [0,2,0,0,0,0|1,0,0]=3 920 B12R1.21 CC1=CC=C(C=C1)CCC(=O)N Z194976512 [0,2,0,0,0,0|0,0,1]=3 921 B12R1.21 CC1=CC=C(C=C1)CCC(=O)O Z169855336 [0,2,0,0,0,0|1,0,1]=4 922 B12R1.21 CC1=CC=C(C=C1)CNC(=N)N Z911465430 [0,2,0,0,0,0|1,0,1]=4 923 B12R1.21 CC1=CC=C(C=C1)CNC(=O)N Z198194838 [0,2,0,0,0,0|1,0,1]=4 924 B12R1.21 CC1=CC=C(C=C1)CNC(=S)N Z56915894 [0,2,0,0,0,0|1,0,1]=4 925 B12R1.21 CC1=CC=C(C=C1)NCC(C)C Z334955606 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.21 CC1=CC=C(C=C1)OCC(=O)N Z19732046 [0,2,0,0,0,0|1,0,1]=4 927 B12R1.21 CC1=CC=C(C=C1)OCC(=S)N Z295396970 [0,2,0,0,0,0|1,0,1]=4 928 B12R1.21 CC1=CC=C(C=C1)OCC(C)N Z285166960 [0,2,0,0,0,0|1,0,0]=3 929 B12R1.21 CC1=CC=C(C=C1)SCC(=O)N Z18770000 [0,2,0,0,0,0|1,0,1]=4 930 B12R1.21 CC1=CC=C(C=C1)SCC(C)N Z1238717325 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.21 CN(C)CCC1=CC=C(C=C1)Br Z2335774813 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.21 CN(C)CCC1=CC=C(C=C1)N Z335289246 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.21 FC1=CC=C(C=C1)NCC(F)F Z608352362 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Br Z48820389 [0,2,0,0,0,0|1,0,1]=4 935 B12R1.21 N=C(N)SCC1=CC=C(C=C1)Cl Z48820386 [0,2,0,0,0,0|1,0,1]=4 936 B12R1.21 NC(=O)CCC1=CC=C(C=C1)F Z87614992 [0,2,0,0,0,0|0,0,1]=3 937 B12R1.21 NC(=O)CCC1=CC=C(C=C1)N Z414316852 [0,2,0,0,0,0|0,0,1]=3 938 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Br Z104586672 [0,2,0,0,0,0|1,0,1]=4 939 B12R1.21 NC(=O)CNC1=CC=C(C=C1)Cl Z104647358 [0,2,0,0,0,0|1,0,1]=4 940 B12R1.21 NC(=O)CNC1=CC=C(C=C1)I Z104728120 [0,2,0,0,0,0|1,0,1]=4 941 B12R1.21 NC(=O)COC1=CC=C(C=C1)Br Z19725712 [0,2,0,0,0,0|1,0,1]=4 942 B12R1.21 NC(=O)COC1=CC=C(C=C1)F Z19734788 [0,2,0,0,0,0|1,0,1]=4 943 B12R1.21 NC(=O)COC1=CC=C(C=C1)I Z25086979 [0,2,0,0,0,0|1,0,1]=4 944 B12R1.21 NC(=O)COC1=CC=C(C=C1)N Z239127428 [0,2,0,0,0,0|1,0,1]=4 945 B12R1.21 NC(=O)COC1=CC=C(C=C1)O Z381414726 [0,2,0,0,0,0|1,0,1]=4 946 B12R1.21 NC(=O)CSC1=CC=C(C=C1)Br Z18744574 [0,2,0,0,0,0|1,0,1]=4 947 B12R1.21 NC(=O)CSC1=CC=C(C=C1)F Z16034821 [0,2,0,0,0,0|1,0,1]=4 948 B12R1.21 NC(=O)NCC1=CC=C(C=C1)F Z198194834 [0,2,0,0,0,0|1,0,1]=4 949 B12R1.21 NC(=O)NCC1=CC=C(C=C1)N Z600391988 [0,2,0,0,0,0|1,0,1]=4 950 B12R1.21 NC(=S)COC1=CC=C(C=C1)Cl Z295395122 [0,2,0,0,0,0|1,0,1]=4 951 B12R1.21 NC(=S)NCC1=CC=C(C=C1)F Z111411726 [0,2,0,0,0,0|1,0,1]=4 952 B12R1.21 NC1=CC=C(C=C1)CCC(=O)O Z336079452 [0,2,0,0,0,0|1,0,1]=4 953 B12R1.21 NC1=CC=C(C=C1)OCC(F)F Z608351552 [0,2,0,0,0,0|2,0,0]=4 954 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Br Z118438622 [0,2,0,0,0,0|1,0,1]=4 955 B12R1.21 O=C(O)CCC1=CC=C(C=C1)Cl Z178961272 [0,2,0,0,0,0|1,0,1]=4 956 B12R1.21 O=C(O)CCC1=CC=C(C=C1)F Z89264973 [0,2,0,0,0,0|1,0,1]=4 957 B12R1.21 O=C(O)CCC1=CC=C(C=C1)O Z317038012 [0,2,0,0,0,0|1,0,1]=4 958 B12R1.49 CC(CN)OC1=CC=C(C=C1)Br Z844632490 [0,2,0,0,0,0|1,0,0]=3 959 B12R1.49 CC(CN)OC1=CC=C(C=C1)Cl Z844632498 [0,2,0,0,0,0|1,0,0]=3 960 B12R1.49 CC(CN)OC1=CC=C(C=C1)F Z274779140 [0,2,0,0,0,0|1,0,0]=3 961 B12R1.49 CC(CN)SC1=CC=C(C=C1)Br Z1266854950 [0,2,0,0,0,0|1,0,0]=3 962 B12R1.49 CC1=CC=C(C=C1)CC(=O)CCl Z316174762 [0,2,0,0,0,0|1,0,1]=4 963 B12R1.49 CC1=CC=C(C=C1)CC(Br)C#N Z85923462 [0,2,0,0,0,0|0,0,2]=4 964 B12R1.49 CC1=CC=C(C=C1)CC(Cl)C=O Z982126370 [0,2,0,0,0,0|1,0,1]=4 965 B12R1.49 CC1=CC=C(C=C1)CC(N)CO Z1800620539 [0,2,0,0,0,0|1,0,0]=3 966 B12R1.49 CC1=CC=C(C=C1)OC(C)CN Z844632044 [0,2,0,0,0,0|1,0,0]=3 967 B12R1.49 CCC(=O)CC1=CC=C(C=C1)Br Z513733694 [0,2,0,0,0,0|1,0,1]=4 968 B12R1.49 CCC(=O)CC1=CC=C(C=C1)C Z513735300 [0,2,0,0,0,0|1,0,1]=4 969 B12R1.49 CCC(C)OC1=CC=C(C=C1)Br Z336342658 [0,2,0,0,0,0|2,0,0]=4 970 B12R1.49 CCC(C)OC1=CC=C(C=C1)N Z274541874 [0,2,0,0,0,0|2,0,0]=4 971 B12R1.49 CCC(C)OC1=CC=C(C=C1)O Z381414944 [0,2,0,0,0,0|2,0,0]=4 972 B12R1.49 CCC(N)CC1=CC=C(C=C1)Br Z2582143601 [0,2,0,0,0,0|1,0,0]=3 973 B12R1.49 CCC(N)CC1=CC=C(C=C1)C Z431980102 [0,2,0,0,0,0|1,0,0]=3 974 B12R1.49 CCC(N)CC1=CC=C(C=C1)Cl Z2044769785 [0,2,0,0,0,0|1,0,0]=3 975 B12R1.49 CCC(N)CC1=CC=C(C=C1)F Z2492774579 [0,2,0,0,0,0|1,0,0]=3 976 B12R1.49 CCC(N)CC1=CC=C(C=C1)O Z1815149210 [0,2,0,0,0,0|1,0,0]=3 977 B12R1.49 CCC(O)CC1=CC=C(C=C1)C Z513751166 [0,2,0,0,0,0|1,0,0]=3 978 B12R1.49 C[C@@H](CN)OC1=CC=C(C=C1)Cl Z1860991587 [0,2,0,0,0,0|1,0,0]=3 979 B12R1.49 NC(CO)CC1=CC=C(C=C1)Cl Z3244488892 [0,2,0,0,0,0|1,0,0]=3 980 B12R1.49 NC(CO)CC1=CC=C(C=C1)F Z1849004242 [0,2,0,0,0,0|1,0,0]=3 981 B12R1.49 NC(CO)CC1=CC=C(C=C1)I Z1263636488 [0,2,0,0,0,0|1,0,0]=3 982 B12R1.49 NC1=CC=C(C=C1)CC(F)CO Z4580450313 [0,2,0,0,0,0|1,0,0]=3 983 B12R1.49 NCC(=O)CC1=CC=C(C=C1)F Z1889902528 [0,2,0,0,0,0|0,0,1]=3 984 B12R1.49 NCC(=O)NC1=CC=C(C=C1)Br Z594272012 [0,2,0,0,0,0|1,0,1]=4 985 B12R1.49 NCC(=O)NC1=CC=C(C=C1)Cl Z803145238 [0,2,0,0,0,0|1,0,1]=4 986 B12R1.49 NCC(=O)NC1=CC=C(C=C1)N Z2895972079 [0,2,0,0,0,0|1,0,1]=4 987 B12R1.49 NCC(=O)NC1=CC=C(C=C1)O Z1262237164 [0,2,0,0,0,0|1,0,1]=4 988 B12R1.49 NCC(O)CC1=CC=C(C=C1)Br Z4990293859 [0,2,0,0,0,0|0,0,0]=2 989 B12R1.49 NNC(=O)CC1=CC=C(C=C1)Cl Z56346881 [0,2,0,0,0,0|1,0,1]=4 990 B12R1.49 NNC(=O)CC1=CC=C(C=C1)F Z56347387 [0,2,0,0,0,0|1,0,1]=4 991 B12R1.49 N[C@@H](CO)CC1=CC=C(C=C1)O Z295456854 [0,2,0,0,0,0|1,0,0]=3 992 B12R1.49 N[C@H](CO)CC1=CC=C(C=C1)O Z203038576 [0,2,0,0,0,0|1,0,0]=3 993 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Br Z408178414 [0,2,0,0,0,0|1,0,1]=4 994 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)Cl Z316174770 [0,2,0,0,0,0|1,0,1]=4 995 B12R1.49 O=C(CCl)CC1=CC=C(C=C1)F Z316174768 [0,2,0,0,0,0|1,0,1]=4 996 B12R1.49 O=C(CO)CC1=CC=C(C=C1)F Z906206828 [0,2,0,0,0,0|1,0,1]=4 997 B12R1.69 CC1=C(C=CC(=C1)I)NCCO Z1381509892 [0,2,0,0,0,0|2,0,0]=4 998 B12R1.69 CC1=CC(=C(C=C1)CCCN)C Z90666959 [0,2,0,0,0,0|0,0,0]=2 999 B12R1.69 CCCNC1=C(C=C(C=C1)Br)Cl Z2943872485 [0,2,0,0,0,0|2,0,0]=4 1000 B12R1.69 CCCNC1=C(C=C(C=C1)Cl)N Z359511154 [0,2,0,0,0,0|2,0,0]=4 1001 B12R1.69 CCCOC1=C(C=C(C=C1)F)N Z406677838 [0,2,0,0,0,0|2,0,0]=4 1002 B12R1.69 CCCOC1=C(C=C(C=C1)N)C Z2689925106 [0,2,0,0,0,0|2,0,0]=4 1003 B12R1.69 CCCOC1=C(C=C(C=C1)N)Cl Z239873352 [0,2,0,0,0,0|2,0,0]=4 1004 B12R1.69 CCCOC1=C(C=C(C=C1)N)F Z406677828 [0,2,0,0,0,0|2,0,0]=4 1005 B12R1.69 CCNCC1=C(C=C(C=C1)F)F Z1163062001 [0,2,0,0,0,0|2,0,0]=4 1006 B12R1.69 CNCCC1=C(C=C(C=C1)F)F Z3302963389 [0,2,0,0,0,0|2,0,0]=4 1007 B12R1.69 ClC1=CC(=C(C=C1)OCCBr)Br Z90122429 [0,2,0,0,0,0|2,0,0]=4 1008 B12R1.69 ClC1=CC(=C(C=C1)OCCBr)Cl Z56948382 [0,2,0,0,0,0|2,0,0]=4 1009 B12R1.69 NCCCC1=C(C=C(C=C1)Br)F Z424783082 [0,2,0,0,0,0|0,0,0]=2 1010 B12R1.69 NCCCC1=C(C=C(C=C1)Cl)Cl Z424783018 [0,2,0,0,0,0|0,0,0]=2 1011 B12R1.69 NCCCN1C=CC(=O)NC1=O Z2939577074 [0,2,0,0,0,0|2,0,0]=4 1012 B12R1.69 NCCOC1=C(C=C(C=C1)Cl)Cl Z5435727950 [0,2,0,0,0,0|1,0,0]=3 1013 B12R1.69 NCCOC1=C(C=C(C=C1)F)F Z1263820293 [0,2,0,0,0,0|1,0,0]=3 1014 B12R1.69 NCCOC1=C(C=C(C=N1)Cl)Cl Z1421526099 [0,2,0,0,0,0|2,0,0]=4 1015 B12R1.69 O=CCCC1=C(C=C(C=C1)Cl)Cl Z993017674 [0,2,0,0,0,0|1,0,1]=4 1016 B12R1.69 O=CCCC1=C(C=C(C=C1)F)F Z993017790 [0,2,0,0,0,0|1,0,1]=4 1017 B12R1.69 OCCNC1=C(C=C(C=C1)F)F Z335277958 [0,2,0,0,0,0|2,0,0]=4 1018 B12R1.69 OCCOC1=C(C=C(C=C1)Br)Br Z149164564 [0,2,0,0,0,0|2,0,0]=4 1019 B12R1.69 OCCOC1=C(C=C(C=C1)Br)Cl Z71184687 [0,2,0,0,0,0|2,0,0]=4 1020 B12R1.69 OCCOC1=C(C=C(C=C1)Cl)Br Z74088094 [0,2,0,0,0,0|2,0,0]=4 1021 B12R1.71 CCC1=CC=C(C=C1)CCC=O Z993017820 [0,2,0,0,0,0|1,0,1]=4 1022 B12R1.71 CCCCC1=CC=C(C=C1)C=O Z385369906 [0,2,0,0,0,0|1,0,0]=3 1023 B12R1.71 CCCCC1=CC=C(C=C1)NC Z1331041631 [0,2,0,0,0,0|1,0,0]=3 1024 B12R1.71 CCCNC1=CC=C(C=C1)CC Z334948098 [0,2,0,0,0,0|2,0,0]=4 1025 B12R1.71 CCCOC1=CC=C(C=C1)C#N Z53834534 [0,2,0,0,0,0|2,0,0]=4 1026 B12R1.71 CCCOC1=CC=C(C=C1)C=O Z53833128 [0,2,0,0,0,0|2,0,0]=4 1027 B12R1.71 CCCOC1=CC=C(C=C1)CN Z57102483 [0,2,0,0,0,0|2,0,0]=4 1028 B12R1.71 CCCOC1=CC=C(C=C1)CO Z54603099 [0,2,0,0,0,0|2,0,0]=4 1029 B12R1.71 CCNCC1=CC=C(C=C1)C#N Z123866350 [0,2,0,0,0,0|2,0,0]=4 1030 B12R1.71 CCNCC1=CC=C(C=C1)OC Z451452322 [0,2,0,0,0,0|2,0,0]=4 1031 B12R1.71 CCOCC1=CC=C(C=C1)C#N Z295205422 [0,2,0,0,0,0|2,0,0]=4 1032 B12R1.71 COC1=CC=C(C=C1)CCC=O Z1079442590 [0,2,0,0,0,0|1,0,1]=4 1033 B12R1.71 COC1=CC=C(C=C1)CCCN Z291234224 [0,2,0,0,0,0|0,0,0]=2 1034 B12R1.71 COC1=CC=C(C=C1)CCNN Z2327071096 [0,2,0,0,0,0|1,0,0]=3 1035 B12R1.71 COC1=CC=C(C=C1)OCCBr Z56886539 [0,2,0,0,0,0|2,0,0]=4 1036 B12R1.71 COC1=CC=C(C=C1)OCCN Z54845983 [0,2,0,0,0,0|1,0,0]=3 1037 B12R1.71 COCCC1=CC=C(C=C1)CO Z385370424 [0,2,0,0,0,0|2,0,0]=4 1038 B12R1.71 N#CC1=CC=C(C=C1)CCC=O Z1198182710 [0,2,0,0,0,0|1,0,1]=4 1039 B12R1.71 N#CC1=CC=C(C=C1)NCCO Z196118762 [0,2,0,0,0,0|2,0,0]=4 1040 B12R1.71 N#CC1=CC=C(C=C1)OCCBr Z56960251 [0,2,0,0,0,0|2,0,0]=4 1041 B12R1.71 N#CC1=CC=C(C=C1)OCCN Z1262398529 [0,2,0,0,0,0|1,0,0]=3 1042 B12R1.71 N#CC1=CC=C(C=C1)OCCO Z149165452 [0,2,0,0,0,0|2,0,0]=4 1043 B12R1.71 NCC1=CC=C(C=C1)OCCO Z1891774500 [0,2,0,0,0,0|2,0,0]=4 1044 B12R1.71 NCC1=CC=C(C=C1)SCCO Z4457865489 [0,2,0,0,0,0|2,0,0]=4 1045 B12R1.71 O=CC1=CC=C(C=C1)OCCO Z295452566 [0,2,0,0,0,0|2,0,0]=4 1046 B12R1.385 CC1=C(C=C(C=C1)SCCN)C Z56347318 [0,2,0,0,0,0|1,0,0]=3 1047 B12R1.385 CC1=C(C=C(C=C1)SCCO)C Z149235456 [0,2,0,0,0,0|2,0,0]=4 1048 B12R1.385 CC1=C(C=CC(=C1)OCCO)N Z335092234 [0,2,0,0,0,0|2,0,0]=4 1049 B12R1.385 CCCCC1=CC(=C(C=C1)C)N Z1262626215 [0,2,0,0,0,0|1,0,0]=3 1050 B12R1.385 CCCCC1=CC(=C(C=C1)O)C Z1416171318 [0,2,0,0,0,0|1,0,0]=3 1051 B12R1.385 CCCCC1=NC(=C(C=C1)N)C Z1947958364 [0,2,0,0,0,0|2,0,0]=4 1052 B12R1.385 CCCCC1=NC=C(C(=C1)C)N Z1994825572 [0,2,0,0,0,0|2,0,0]=4 1053 B12R1.385 CCCNC1=CC(=C(C=C1)C)C Z3179194889 [0,2,0,0,0,0|2,0,0]=4 1054 B12R1.385 CCCNC1=CC(=C(C=C1)C)Cl Z3178892110 [0,2,0,0,0,0|2,0,0]=4 1055 B12R1.385 CCCNC1=CC(=C(C=C1)Cl)C Z3178893817 [0,2,0,0,0,0|2,0,0]=4 1056 B12R1.385 CCCNC1=CC(=C(C=C1)Cl)Cl Z3006084945 [0,2,0,0,0,0|2,0,0]=4 1057 B12R1.385 CCCOC1=CC(=C(C=C1)Br)Cl Z1618009620 [0,2,0,0,0,0|2,0,0]=4 1058 B12R1.385 CCCOC1=CC(=C(C=C1)N)C Z239604814 [0,2,0,0,0,0|2,0,0]=4 1059 B12R1.385 CCNCC1=CC(=C(C=C1)Cl)Cl Z752370982 [0,2,0,0,0,0|2,0,0]=4 1060 B12R1.385 CCNCC1=CC(=C(C=C1)F)F Z594413796 [0,2,0,0,0,0|2,0,0]=4 1061 B12R1.385 CNCCC1=CC(=C(C=C1)O)Br Z3710478807 [0,2,0,0,0,0|2,0,0]=4 1062 B12R1.385 COCCC1=CC(=C(C=C1)O)Cl Z1513901493 [0,2,0,0,0,0|2,0,0]=4 1063 B12R1.385 NCCOC1=CC(=C(C=C1)Cl)F Z2235790693 [0,2,0,0,0,0|1,0,0]=3 1064 B12R1.385 NCCOC1=CC(=C(C=C1)F)F Z1263820280 [0,2,0,0,0,0|1,0,0]=3 1065 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)Cl Z993017630 [0,2,0,0,0,0|1,0,1]=4 1066 B12R1.385 O=CCCC1=CC(=C(C=C1)Cl)F Z1198182696 [0,2,0,0,0,0|1,0,1]=4 1067 B12R1.385 O=CCCC1=CC(=C(C=C1)F)F Z1198182685 [0,2,0,0,0,0|1,0,1]=4 1068 B12R1.385 OCCCC1=CC(=C(C=C1)Cl)Cl Z993012522 [0,2,0,0,0,0|1,0,0]=3 1069 B12R1.385 OCCNC1=CC(=C(C=C1)F)F Z335273086 [0,2,0,0,0,0|2,0,0]=4 1070 B12R1.3 C#CCC(NC)C1=CC=CC=C1 Z1815149215 [0,2,0,0,0,0|1,0,1]=4 1071 B12R1.3 C=CCC(C=O)C1=CC=CC=C1 Z1416169093 [0,2,0,0,0,0|1,0,1]=4 1072 B12R1.3 CCCC(C=O)C1=CC=CC=C1 Z1251357295 [0,2,0,0,0,0|1,0,0]=3 1073 B12R1.3 CCCC(NC)C1=NC=CC=C1 Z513799952 [0,2,0,0,0,0|2,0,0]=4 1074 B12R1.3 CCN(CCF)C1=CC=CC=C1 Z3886028878 [0,2,0,0,0,0|2,0,0]=4 1075 B12R1.3 CCN(CCO)C1=CC=CC=C1 Z56922120 [0,2,0,0,0,0|2,0,0]=4 1076 B12R1.3 CCNC(CC)C1=CC=CC=C1 Z316386730 [0,2,0,0,0,0|2,0,0]=4 1077 B12R1.3 CCOC(C#N)C1=CC=CC=C1 Z1270207114 [0,2,0,0,0,0|2,0,0]=4 1078 B12R1.3 CNC(CCO)C1=CC=CC=C1 Z1198162180 [0,2,0,0,0,0|1,0,0]=3 1079 B12R1.3 NCC(CCO)C1=CC=CC=C1 Z1198177199 [0,2,0,0,0,0|1,0,0]=3 1080 B12R1.17 CCNC(C)C1=CC(=CC=C1)O Z3479644552 [0,2,0,0,0,0|2,0,0]=4 1081 B12R1.17 CNC[C@H](O)C1=CC(=CC=C1)O Z1198723489 [0,2,0,0,0,0|2,0,0]=4 1082 B12R1.17 COCC(O)C1=CC(=CC=C1)N Z970071366 [0,2,0,0,0,0|2,0,0]=4 1083 B12R1.17 N#CCC(O)C1=CC(=CC=C1)Cl Z1255429594 [0,2,0,0,0,0|0,0,2]=4 1084 B12R1.30 C#CCCC(=O)C1=CC=CC=C1 Z406376668 [0,2,0,0,0,0|1,0,1]=4 1085 B12R1.30 C=CCCC(=O)C1=CC=CC=C1 Z406376458 [0,2,0,0,0,0|1,0,1]=4 1086 B12R1.30 C=CCCC(N)C1=CC=CC=C1 Z1219748388 [0,2,0,0,0,0|1,0,0]=3 1087 B12R1.30 CCCCC(O)C1=CC=CC=C1 Z445987132 [0,2,0,0,0,0|1,0,0]=3 1088 B12R1.30 CCCC[C@@H](N)C1=CC=CC=C1 Z1642061107 [0,2,0,0,0,0|1,0,0]=3 1089 B12R1.30 CCCC[C@@H](O)C1=CC=CC=C1 Z1127664488 [0,2,0,0,0,0|1,0,0]=3 1090 B12R1.30 CCCC[C@H](N)C1=CC=CC=C1 Z1649893428 [0,2,0,0,0,0|1,0,0]=3 1091 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 Z1127664374 [0,2,0,0,0,0|1,0,0]=3 1092 B12R1.30 CCCNC(C)C1=CC=CC=C1 Z57397067 [0,2,0,0,0,0|1,0,0]=3 1093 B12R1.30 CCCOC(=O)C1=CC=CC=C1 Z53835171 [0,2,0,0,0,0|1,0,1]=4 1094 B12R1.30 CCNCC(N)C1=CC=CC=C1 Z756920572 [0,2,0,0,0,0|1,0,0]=3 1095 B12R1.30 CCSCC(=O)C1=CC=CC=C1 Z447928014 [0,2,0,0,0,0|1,0,1]=4 1096 B12R1.30 CN(CCCN)C1=NC=CC=C1 Z319975464 [0,2,0,0,0,0|1,0,0]=3 1097 B12R1.30 CN(CCCO)C1=CC=CC=C1 Z104585644 [0,2,0,0,0,0|1,0,0]=3 1098 B12R1.30 CNCCN(C)C1=CC=CC=C1 Z335286914 [0,2,0,0,0,0|1,0,0]=3 1099 B12R1.30 COCCC(N)C1=CN=CC=C1 Z2768512544 [0,2,0,0,0,0|2,0,0]=4 1100 B12R1.30 COCCC(O)C1=CC=CC=C1 Z818738046 [0,2,0,0,0,0|1,0,0]=3 1101 B12R1.30 CSCCC(=O)C1=CC=CC=C1 Z1201679033 [0,2,0,0,0,0|1,0,1]=4 1102 B12R1.30 C[C@H](NCCO)C1=CC=CC=C1 Z1079131628 [0,2,0,0,0,0|1,0,0]=3 1103 B12R1.30 N#CCCC(=O)C1=CC=CC=C1 Z168884010 [0,2,0,0,0,0|0,0,2]=4 1104 B12R1.30 N#CCCC(N)C1=CC=CC=C1 Z1492796961 [0,2,0,0,0,0|0,0,1]=3 1105 B12R1.30 NC(CCCO)C1=CC=CC=C1 Z1245735325 [0,2,0,0,0,0|1,0,0]=3 1106 B12R1.30 NCCNC(=O)C1=CC=CC=C1 Z235363051 [0,2,0,0,0,0|0,0,1]=3 1107 B12R1.30 NCCNC(=O)C1=CN=CC=C1 Z259720702 [0,2,0,0,0,0|1,0,1]=4 1108 B12R1.30 O=C(CCCCl)C1=CC=CC=C1 Z104477558 [0,2,0,0,0,0|1,0,0]=3 1109 B12R1.30 O=C(NCCO)C1=CC=CC=C1 Z31725250 [0,2,0,0,0,0|1,0,1]=4 1110 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 Z56928949 [0,2,0,0,0,0|1,0,1]=4 1111 B12R1.30 O=C(OCCO)C1=CC=CC=C1 Z228585788 [0,2,0,0,0,0|1,0,1]=4 1112 B12R1.34 CC(C1=CC=CC=C1)C(N)CO Z1262398547 [0,2,0,0,0,0|1,0,0]=3 1113 B12R1.34 CC(CN)N(C)C1=CC=CC=C1 Z228572562 [0,2,0,0,0,0|1,0,0]=3 1114 B12R1.34 CC(CO)C(=O)C1=CC=CC=C1 Z1198183441 [0,2,0,0,0,0|1,0,1]=4 1115 B12R1.34 CCC(N)C(C)C1=CC=CC=C1 Z1318372590 [0,2,0,0,0,0|1,0,0]=3 1116 B12R1.34 CCC(N)C(O)C1=CC=CC=C1 Z1695783907 [0,2,0,0,0,0|1,0,0]=3 1117 B12R1.34 NC(CO)C(O)C1=CC=NC=C1 Z2696777507 [0,2,0,0,0,0|2,0,0]=4 1118 B12R1.34 NC(CO)C(O)C1=NC=CC=C1 Z2694807446 [0,2,0,0,0,0|2,0,0]=4 1119 B12R1.39 CC(C)(CCN)C1=CC=CC=C1 Z336081086 [0,2,0,0,0,0|0,0,0]=2 1120 B12R1.39 CC(C)(CCO)C1=CC=CC=C1 Z1255440195 [0,2,0,0,0,0|1,0,0]=3 1121 B12R1.39 CC(O)(CCN)C1=CC=CC=C1 Z1182310345 [0,2,0,0,0,0|0,0,0]=2 1122 B12R1.39 CCNC(C)(C)C1=CC=CC=C1 Z991114618 [0,2,0,0,0,0|2,0,0]=4 1123 B12R1.39 CNCC(F)(F)C1=CC=CC=C1 Z5719431865 [0,2,0,0,0,0|2,0,0]=4 1124 B12R1.39 COCC(C)(N)C1=CC=CC=C1 Z992444342 [0,2,0,0,0,0|2,0,0]=4 1125 B12R1.39 COCC(C)(O)C1=CC=CC=C1 Z992444182 [0,2,0,0,0,0|2,0,0]=4 1126 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 Z426041548 [0,2,0,0,0,0|1,0,0]=3 1127 B12R1.39 O=S(=O)(CCCl)C1=CC=CC=C1 Z147642528 [0,2,0,0,0,0|2,0,0]=4 1128 B12R1.107 C=C(C)CC(N)C1=CC=CC=C1 Z4497189696 [0,2,0,0,0,0|1,0,1]=4 1129 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 Z104484314 [0,2,0,0,0,0|1,0,1]=4 1130 B12R1.107 CC(C)CC(N)C1=CC=CC=C1 Z85929891 [0,2,0,0,0,0|1,0,0]=3 1131 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 Z513795936 [0,2,0,0,0,0|2,0,0]=4 1132 B12R1.107 CC(C)CC(O)C1=NC=CC=C1 Z513749474 [0,2,0,0,0,0|2,0,0]=4 1133 B12R1.107 CC(CC(=O)N)C1=CC=CC=C1 Z33546734 [0,2,0,0,0,0|0,0,1]=3 1134 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 Z56899204 [0,2,0,0,0,0|1,0,1]=4 1135 B12R1.107 CC(N)CC(=O)C1=CC=CC=C1 Z1413780437 [0,2,0,0,0,0|0,0,1]=3 1136 B12R1.107 CC(N)CC(O)C1=CC=CC=C1 Z1262623600 [0,2,0,0,0,0|0,0,0]=2 1137 B12R1.107 CC(N)CN(C)C1=CC=CC=C1 Z815264124 [0,2,0,0,0,0|1,0,0]=3 1138 B12R1.107 CC(NC(=N)N)C1=CC=CC=C1 Z1089996260 [0,2,0,0,0,0|1,0,1]=4 1139 B12R1.107 CC(NC(=O)N)C1=CC=CC=C1 Z198194342 [0,2,0,0,0,0|1,0,1]=4 1140 B12R1.107 CC(NC(=S)N)C1=CC=CC=C1 Z56913099 [0,2,0,0,0,0|1,0,1]=4 1141 B12R1.107 CN(CC(=O)N)C1=CC=CC=C1 Z54747686 [0,2,0,0,0,0|1,0,1]=4 1142 B12R1.107 CS(=O)CC(N)C1=CC=CC=C1 Z1238793494 [0,2,0,0,0,0|2,0,0]=4 1143 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 Z94601171 [0,2,0,0,0,0|1,0,1]=4 1144 B12R1.107 NC(CC(F)F)C1=CC=CC=C1 Z2327568967 [0,2,0,0,0,0|1,0,0]=3 1145 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 Z756925772 [0,2,0,0,0,0|1,0,1]=4 1146 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 Z1696091779 [0,2,0,0,0,0|1,0,1]=4 1147 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 Z982132010 [0,2,0,0,0,0|1,0,1]=4 1148 B12R1.308 CCCC(=O)C1=C(C=CC=C1)Cl Z733415242 [0,2,0,0,0,0|1,0,1]=4 1149 B12R1.308 CCCC(O)C1=C(C=CC=C1)Cl Z733415366 [0,2,0,0,0,0|1,0,0]=3 1150 B12R1.308 CCCN(C)C1=C(C=CC=C1)N Z409202040 [0,2,0,0,0,0|2,0,0]=4 1151 B12R1.308 NC(CCO)C1=C(C=CC=C1)Br Z979743696 [0,2,0,0,0,0|1,0,0]=3 1152 B12R1.308 NCCC(=O)C1=C(C=CC=C1)N Z2037273395 [0,2,0,0,0,0|0,0,1]=3 1153 B12R1.308 NCCS(=O)C1=C(C=CC=C1)F Z1267881675 [0,2,0,0,0,0|1,0,0]=3 1154 B12R1.25 NCCOC1=C(C(=CC=C1)Cl)Cl Z763367894 [0,2,0,0,0,0|1,0,0]=3 1155 B12R1.25 OCCCC1=C(C(=CC=C1)F)F Z3230115688 [0,2,0,0,0,0|1,0,0]=3 1156 B12R1.25 OCCNC1=C(C(=CC=C1)Cl)Br Z1837227787 [0,2,0,0,0,0|2,0,0]=4 1157 B12R1.121 C=CCCC1=C(C=CC=C1)C=O Z1511744014 [0,2,0,0,0,0|1,0,1]=4 1158 B12R1.121 CNCCC1=C(C=CC=C1)C#N Z3719314609 [0,2,0,0,0,0|2,0,0]=4 1159 B12R1.121 CNCCC1=C(C=CC=C1)OC Z159528470 [0,2,0,0,0,0|2,0,0]=4 1160 B12R1.121 COC1=C(C=CC=C1)CCC=O Z993017838 [0,2,0,0,0,0|1,0,1]=4 1161 B12R1.121 COC1=C(C=CC=C1)NCCO Z335255666 [0,2,0,0,0,0|2,0,0]=4 1162 B12R1.121 COC1=C(C=CC=C1)OCCBr Z57842348 [0,2,0,0,0,0|2,0,0]=4 1163 B12R1.121 COC1=C(C=CC=C1)OCCCl Z381039148 [0,2,0,0,0,0|2,0,0]=4 1164 B12R1.121 COC1=C(C=CC=C1)OCCN Z56968779 [0,2,0,0,0,0|1,0,0]=3 1165 B12R1.121 N#CC1=C(N=CC=C1)NCCN Z415727964 [0,2,0,0,0,0|2,0,0]=4 1166 B12R1.121 NCC1=C(C=CC=C1)OCCO Z335092218 [0,2,0,0,0,0|2,0,0]=4 1167 B12R1.125 CC(=O)CCC1=C(C=CC=C1)F Z406376954 [0,2,0,0,0,0|1,0,1]=4 1168 B12R1.125 CC(C)CNC1=C(C=CC=C1)Cl Z334941038 [0,2,0,0,0,0|2,0,0]=4 1169 B12R1.125 CC(C)COC1=C(C=CC=C1)N Z239604732 [0,2,0,0,0,0|2,0,0]=4 1170 B12R1.125 CC(C)NCC1=C(C=CC=C1)F Z86129898 [0,2,0,0,0,0|2,0,0]=4 1171 B12R1.125 CC(C)OCC1=C(C=CC=C1)N Z285178240 [0,2,0,0,0,0|2,0,0]=4 1172 B12R1.125 CC(N)COC1=C(C=CC=C1)F Z271016180 [0,2,0,0,0,0|1,0,0]=3 1173 B12R1.125 CC1=C(C=CC=C1)CCC(=O)O Z317037960 [0,2,0,0,0,0|1,0,1]=4 1174 B12R1.125 CC1=C(C=CC=C1)NCC(=O)N Z104590676 [0,2,0,0,0,0|1,0,1]=4 1175 B12R1.125 CC1=C(C=CC=C1)OCC(=N)N Z823287452 [0,2,0,0,0,0|1,0,1]=4 1176 B12R1.125 CC1=C(C=CC=C1)OCC(=O)N Z19733874 [0,2,0,0,0,0|1,0,1]=4 1177 B12R1.125 CC1=C(C=CC=C1)OCC(C)N Z271016914 [0,2,0,0,0,0|1,0,0]=3 1178 B12R1.125 CN(C)CCC1=C(C=CC=C1)N Z608073162 [0,2,0,0,0,0|2,0,0]=4 1179 B12R1.125 FC(F)COC1=C(C=CC=C1)Br Z608352776 [0,2,0,0,0,0|2,0,0]=4 1180 B12R1.125 FC1=C(C=CC=C1)NCC(F)F Z608352370 [0,2,0,0,0,0|2,0,0]=4 1181 B12R1.125 N=C(N)NCC1=C(C=CC=C1)F Z3034959360 [0,2,0,0,0,0|1,0,1]=4 1182 B12R1.125 N=C(N)SCC1=C(C=CC=C1)Cl Z48820396 [0,2,0,0,0,0|1,0,1]=4 1183 B12R1.125 NC(=O)CCC1=C(C=CC=C1)Br Z741559968 [0,2,0,0,0,0|0,0,1]=3 1184 B12R1.125 NC(=O)CCC1=C(C=CC=C1)N Z414316848 [0,2,0,0,0,0|0,0,1]=3 1185 B12R1.125 NC(=O)CCC1=C(C=CC=C1)O Z371352778 [0,2,0,0,0,0|0,0,1]=3 1186 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Br Z137588472 [0,2,0,0,0,0|1,0,1]=4 1187 B12R1.125 NC(=O)CNC1=C(C=CC=C1)Cl Z104528166 [0,2,0,0,0,0|1,0,1]=4 1188 B12R1.125 NC(=O)CNC1=C(C=CC=C1)I Z133437412 [0,2,0,0,0,0|1,0,1]=4 1189 B12R1.125 NC(=O)COC1=C(C=CC=C1)Br Z17829253 [0,2,0,0,0,0|1,0,1]=4 1190 B12R1.125 NC(=O)COC1=C(C=CC=C1)Cl Z19726626 [0,2,0,0,0,0|1,0,1]=4 1191 B12R1.125 NC(=O)COC1=C(C=CC=C1)F Z19724798 [0,2,0,0,0,0|1,0,1]=4 1192 B12R1.125 NC(=O)COC1=C(C=CC=C1)I Z406416164 [0,2,0,0,0,0|1,0,1]=4 1193 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Br Z149386624 [0,2,0,0,0,0|1,0,1]=4 1194 B12R1.125 NC(=O)CSC1=C(C=CC=C1)Cl Z18459622 [0,2,0,0,0,0|1,0,1]=4 1195 B12R1.125 NC(=O)CSC1=C(C=CC=C1)N Z57332466 [0,2,0,0,0,0|1,0,1]=4 1196 B12R1.125 NC(=O)NCC1=C(C=CC=C1)Cl Z198194806 [0,2,0,0,0,0|1,0,1]=4 1197 B12R1.125 NC(=O)NCC1=C(C=CC=C1)F Z198194842 [0,2,0,0,0,0|1,0,1]=4 1198 B12R1.125 NC1=C(C=CC=C1)OCC(F)F Z608351554 [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Br Z406704244 [0,2,0,0,0,0|1,0,1]=4 1200 B12R1.125 O=C(O)CCC1=C(C=CC=C1)Cl Z56943366 [0,2,0,0,0,0|1,0,1]=4 1201 B12R1.125 O=C(O)CCC1=C(C=CC=C1)F Z57991059 [0,2,0,0,0,0|1,0,1]=4 1202 B12R1.125 O=C(O)CCC1=C(C=CC=C1)O Z56347225 [0,2,0,0,0,0|1,0,1]=4 1203 B12R1.267 C#CCNCC1=C(C=CC=C1)Cl Z1705787112 [0,2,0,0,0,0|1,0,1]=4 1204 B12R1.267 C=CCNCC1=C(C=CC=C1)F Z744843672 [0,2,0,0,0,0|1,0,1]=4 1205 B12R1.267 CC1=C(C=CC=C1)CSCC#N Z17108796 [0,2,0,0,0,0|0,0,2]=4 1206 B12R1.267 CC1=C(C=CC=C1)OCCC#N Z54337106 [0,2,0,0,0,0|0,0,2]=4 1207 B12R1.267 CC1=C(C=CC=C1)OCCCN Z271006092 [0,2,0,0,0,0|0,0,0]=2 1208 B12R1.267 CC1=C(C=CC=C1)OCCNN Z56978182 [0,2,0,0,0,0|1,0,0]=3 1209 B12R1.267 CCCCOC1=C(C=CC=C1)Br Z149303058 [0,2,0,0,0,0|1,0,0]=3 1210 B12R1.267 CCCCOC1=C(C=CC=C1)N Z239604730 [0,2,0,0,0,0|1,0,0]=3 1211 B12R1.267 CCCNCC1=C(C=CC=C1)F Z2524454856 [0,2,0,0,0,0|1,0,0]=3 1212 B12R1.267 CCCNCC1=C(C=CC=C1)O Z316257178 [0,2,0,0,0,0|1,0,0]=3 1213 B12R1.267 CNCCOC1=C(C=CC=C1)C Z138105348 [0,2,0,0,0,0|1,0,0]=3 1214 B12R1.267 CNCCOC1=C(C=CC=C1)Cl Z138105384 [0,2,0,0,0,0|1,0,0]=3 1215 B12R1.267 CNCCOC1=C(C=CC=C1)F Z138104722 [0,2,0,0,0,0|1,0,0]=3 1216 B12R1.267 COCCNC1=C(C=CC=C1)N Z359511242 [0,2,0,0,0,0|2,0,0]=4 1217 B12R1.267 COCCOC1=C(C=CC=C1)N Z274541842 [0,2,0,0,0,0|2,0,0]=4 1218 B12R1.267 N#CCCCC1=C(C=CC=C1)Br Z1269161079 [0,2,0,0,0,0|0,0,1]=3 1219 B12R1.267 N#CCCCC1=C(C=CC=C1)Cl Z1198169265 [0,2,0,0,0,0|0,0,1]=3 1220 B12R1.267 N#CCCCN1C=CC=CC1=O Z295205162 [0,2,0,0,0,0|1,0,1]=4 1221 B12R1.267 N#CCCNC1=C(C=CC=C1)F Z56813548 [0,2,0,0,0,0|0,0,2]=4 1222 B12R1.267 N#CCCOC1=C(C=CC=C1)Cl Z54336949 [0,2,0,0,0,0|0,0,2]=4 1223 B12R1.267 N#CCCOC1=C(C=CC=C1)F Z54556757 [0,2,0,0,0,0|0,0,2]=4 1224 B12R1.267 N#CCCSC1=C(C=CC=C1)F Z54463198 [0,2,0,0,0,0|0,0,2]=4 1225 B12R1.267 N#CCCSC1=C(C=CC=C1)N Z316174712 [0,2,0,0,0,0|0,0,2]=4 1226 B12R1.267 NC1=C(C=CC=C1)NCCCO Z390185384 [0,2,0,0,0,0|1,0,0]=3 1227 B12R1.267 NC1=C(C=CN=C1)SCCCO Z412016262 [0,2,0,0,0,0|2,0,0]=4 1228 B12R1.267 NCCCCN1C=CC=CC1=O Z285163694 [0,2,0,0,0,0|1,0,0]=3 1229 B12R1.267 NCCCOC1=C(C=CC=C1)F Z126954254 [0,2,0,0,0,0|0,0,0]=2 1230 B12R1.267 NCCOCC1=C(C=CC=C1)Cl Z1259340990 [0,2,0,0,0,0|0,0,0]=2 1231 B12R1.267 NCCSCC1=C(C=CC=C1)F Z89265003 [0,2,0,0,0,0|0,0,0]=2 1232 B12R1.267 O=CCCCC1=C(C=CC=C1)Br Z1233207918 [0,2,0,0,0,0|1,0,0]=3 1233 B12R1.267 O=CCCCC1=C(C=CC=C1)F Z1233207919 [0,2,0,0,0,0|1,0,0]=3 1234 B12R1.267 OCCCOC1=C(C=CC=C1)Br Z149303380 [0,2,0,0,0,0|1,0,0]=3 1235 B12R1.267 OCCCOC1=C(C=CC=C1)Cl Z149161814 [0,2,0,0,0,0|1,0,0]=3 1236 B12R1.267 OCCNCC1=C(C=CC=C1)Br Z90504623 [0,2,0,0,0,0|1,0,0]=3 1237 B12R1.371 CC(CN)OC1=C(C=CC=C1)Br Z844632454 [0,2,0,0,0,0|1,0,0]=3 1238 B12R1.371 CC(CN)OC1=C(C=CC=C1)Cl Z1263602349 [0,2,0,0,0,0|1,0,0]=3 1239 B12R1.371 CC(CN)OC1=C(C=CC=C1)F Z844631932 [0,2,0,0,0,0|1,0,0]=3 1240 B12R1.371 CC1=C(C=CC=C1)CC(N)CO Z1198274419 [0,2,0,0,0,0|1,0,0]=3 1241 B12R1.371 CC1=C(C=CC=C1)OC(C)CN Z844631964 [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.371 CCC(=O)CC1=C(C=CC=C1)Br Z513735296 [0,2,0,0,0,0|1,0,1]=4 1243 B12R1.371 CCC(N)CC1=C(C=CC=C1)Br Z1416200896 [0,2,0,0,0,0|1,0,0]=3 1244 B12R1.371 CNC(C)CC1=C(C=CC=C1)C Z1875110273 [0,2,0,0,0,0|2,0,0]=4 1245 B12R1.371 NCC(=O)NC1=C(C=CC=C1)Br Z56964583 [0,2,0,0,0,0|1,0,1]=4 1246 B12R1.371 NCC(=O)NC1=C(C=CC=C1)F Z1449752250 [0,2,0,0,0,0|1,0,1]=4 1247 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Br Z408178456 [0,2,0,0,0,0|1,0,1]=4 1248 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)Cl Z408178450 [0,2,0,0,0,0|1,0,1]=4 1249 B12R1.371 O=C(CCl)CC1=C(C=CC=C1)F Z316174764 [0,2,0,0,0,0|1,0,1]=4 1250 B12R1.371 O=CC(Cl)CC1=C(C=CC=C1)Cl Z982126354 [0,2,0,0,0,0|1,0,1]=4 1251 B12R1.374 CC1=CC(=C(C=C1)C)OCCBr Z56950515 [0,2,0,0,0,0|2,0,0]=4 1252 B12R1.374 CC1=CC(=C(C=C1)C)SCCO Z149231480 [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.374 CC1=CC(=C(C=C1)Cl)OCCN Z2941520842 [0,2,0,0,0,0|1,0,0]=3 1254 B12R1.374 CCCOC1=C(C=CC(=C1)C)N Z295458030 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.374 CCNCC1=C(C=CC(=C1)Br)F Z1262250892 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.374 CCNCC1=C(C=CC(=C1)Br)O Z944939986 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.374 ClC1=CC(=C(C=C1)Cl)OCCBr Z94597999 [0,2,0,0,0,0|2,0,0]=4 1258 B12R1.374 ClCCSC1=C(C=CC(=C1)Cl)Cl Z55993026 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.374 NC1=C(C=C(C=C1)F)OCCO Z335092236 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.374 NCCCN1C=C(C=CC1=O)Br Z1222283877 [0,2,0,0,0,0|1,0,0]=3 1261 B12R1.374 OCCOC1=C(C=CC(=C1)Br)Cl Z428710928 [0,2,0,0,0,0|2,0,0]=4 1262 B12R1.374 OCCOC1=C(C=CC(=C1)Br)F Z1607545313 [0,2,0,0,0,0|2,0,0]=4 1263 B12R1.374 OCCOC1=C(C=CC(=C1)Cl)Cl Z71189926 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.374 OCCSC1=C(C=CC(=C1)Cl)Cl Z149234422 [0,2,0,0,0,0|2,0,0]=4 1265 B12R1.1631 CC1=C(C(=CC=C1)Cl)CCCN Z1741785883 [0,2,0,0,0,0|0,0,0]=2 1266 B12R1.1631 CC1=CC=CC(=C1OCCBr)C Z56960246 [0,2,0,0,0,0|2,0,0]=4 1267 B12R1.1631 CC1=CC=CC(=C1OCCN)C Z425449774 [0,2,0,0,0,0|1,0,0]=3 1268 B12R1.1631 CC1=CC=CC(=C1OCCO)C Z425795494 [0,2,0,0,0,0|2,0,0]=4 1269 B12R1.1631 CCCOC1=C(C=CC=C1N)F Z1695929963 [0,2,0,0,0,0|2,0,0]=4 1270 B12R1.1631 ClC1=CC=CC(=C1OCCBr)Cl Z56960266 [0,2,0,0,0,0|2,0,0]=4 1271 B12R1.1631 N#CCCC1=C(C=CC=C1Cl)Cl Z815260510 [0,2,0,0,0,0|0,0,2]=4 1272 B12R1.1631 NCCCC1=C(C=CC=C1Cl)Cl Z424783074 [0,2,0,0,0,0|0,0,0]=2 1273 B12R1.1631 NCCOC1=C(C=CC=C1F)Cl Z1416178788 [0,2,0,0,0,0|1,0,0]=3 1274 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)Cl Z993017858 [0,2,0,0,0,0|1,0,1]=4 1275 B12R1.1631 O=CCCC1=C(C=CC=C1Cl)F Z993017832 [0,2,0,0,0,0|1,0,1]=4 1276 B12R1.1631 OCCCC1=C(C=CC=C1F)Cl Z992949636 [0,2,0,0,0,0|1,0,0]=3 1277 B12R1.28 BrCCCOC1=CC(=CC=C1)I Z381428588 [0,2,0,0,0,0|1,0,0]=3 1278 B12R1.28 C=CCCOC1=CC=CC(=C1)N Z1219749397 [0,2,0,0,0,0|1,0,1]=4 1279 B12R1.28 CC1=CC(=CC=C1)CNCCO Z1836652697 [0,2,0,0,0,0|1,0,0]=3 1280 B12R1.28 CC1=CC(=CC=C1)NCCC#N Z56939180 [0,2,0,0,0,0|0,0,2]=4 1281 B12R1.28 CC1=CC(=CC=C1)OCCCN Z137642328 [0,2,0,0,0,0|0,0,0]=2 1282 B12R1.28 CCCCNC1=CC(=CC=C1)I Z1266854879 [0,2,0,0,0,0|1,0,0]=3 1283 B12R1.28 CCCCOC1=CC(=CC=C1)N Z802665964 [0,2,0,0,0,0|1,0,0]=3 1284 B12R1.28 CNCCOC1=CC(=CC=C1)C Z147652434 [0,2,0,0,0,0|1,0,0]=3 1285 B12R1.28 CNCCOC1=CC(=CC=C1)Cl Z138105424 [0,2,0,0,0,0|1,0,0]=3 1286 B12R1.28 COCCOC1=CC(=CC=C1)Br Z285938612 [0,2,0,0,0,0|2,0,0]=4 1287 B12R1.28 COCCOC1=CC(=CC=C1)N Z285182536 [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.28 COCCOC1=CC(=CC=C1)O Z381415582 [0,2,0,0,0,0|2,0,0]=4 1289 B12R1.28 N#CCCNC1=CC=CC(=C1)Cl Z56931866 [0,2,0,0,0,0|0,0,2]=4 1290 B12R1.28 NC1=NC=CC(=C1)CSCCO Z991494056 [0,2,0,0,0,0|2,0,0]=4 1291 B12R1.28 NCCCCC1=CC(=NC=C1)N Z2895541303 [0,2,0,0,0,0|1,0,0]=3 1292 B12R1.28 NCCCOC1=CC(=CC=C1)F Z2940631631 [0,2,0,0,0,0|0,0,0]=2 1293 B12R1.28 NCCOCC1=CC(=CC=C1)Cl Z1891776830 [0,2,0,0,0,0|0,0,0]=2 1294 B12R1.28 OCCCCC1=CC(=CC=C1)Br Z1233226242 [0,2,0,0,0,0|1,0,0]=3 1295 B12R1.28 OCCCNC1=CC(=CN=C1)Br Z1272132917 [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.28 OCCCOC1=CC(=CC=C1)Br Z425795856 [0,2,0,0,0,0|1,0,0]=3 1297 B12R1.28 OCCNCC1=CC(=CC=C1)Cl Z1839480752 [0,2,0,0,0,0|1,0,0]=3 1298 B12R1.28 OCCNCC1=CC(=CC=C1)F Z1840356205 [0,2,0,0,0,0|1,0,0]=3 1299 B12R1.28 OCCNCC1=CC(=CN=C1)Br Z3073940293 [0,2,0,0,0,0|2,0,0]=4 1300 B12R1.50 C#CC(N)CC1=CC(=CC=C1)F Z3178895122 [0,2,0,0,0,0|1,0,1]=4 1301 B12R1.50 CC(CN)OC1=CC(=CC=C1)Br Z844632504 [0,2,0,0,0,0|1,0,0]=3 1302 B12R1.50 CC(CN)OC1=CC(=CC=C1)Cl Z1263820268 [0,2,0,0,0,0|1,0,0]=3 1303 B12R1.50 CC(CN)OC1=CC(=CC=C1)F Z844631990 [0,2,0,0,0,0|1,0,0]=3 1304 B12R1.50 CC1=CC(=CC=C1)CC(=O)CCl Z276118998 [0,2,0,0,0,0|1,0,1]=4 1305 B12R1.50 CC1=CC(=CC=C1)CC(N)CO Z1801307645 [0,2,0,0,0,0|1,0,0]=3 1306 B12R1.50 CC1=CC=CC(=C1)OC(C)CN Z844631960 [0,2,0,0,0,0|1,0,0]=3 1307 B12R1.50 CC1=NC(=CC=C1)CC(N)CO Z4870594850 [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.50 CCC(C)OC1=CC(=CC=C1)N Z331149114 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.50 CCS(=O)CC1=CC(=CC=C1)Br Z1618064713 [0,2,0,0,0,0|2,0,0]=4 1310 B12R1.50 CNC(C)CC1=CC(=CC=C1)C Z2311236342 [0,2,0,0,0,0|2,0,0]=4 1311 B12R1.50 NC(CO)CC1=CC(=CC=C1)F Z1198222234 [0,2,0,0,0,0|1,0,0]=3 1312 B12R1.50 NCC(=O)CC1=CC(=CC=C1)Br Z1981870420 [0,2,0,0,0,0|0,0,1]=3 1313 B12R1.50 NCC(=O)NC1=CC(=CC=C1)Br Z46280185 [0,2,0,0,0,0|1,0,1]=4 1314 B12R1.50 NCC(=O)NC1=CC(=CC=C1)F Z46280394 [0,2,0,0,0,0|1,0,1]=4 1315 B12R1.50 NCC(O)CC1=CC(=CC=C1)Br Z4981222469 [0,2,0,0,0,0|0,0,0]=2 1316 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Br Z408178442 [0,2,0,0,0,0|1,0,1]=4 1317 B12R1.50 O=C(CCl)CC1=CC(=CC=C1)Cl Z316174772 [0,2,0,0,0,0|1,0,1]=4 1318 B12R1.50 O=C(CCl)CC1=CC=CC(=C1)F Z316174766 [0,2,0,0,0,0|1,0,1]=4 1319 B12R1.100 CC1=CC(=CC(=C1)N)OCCO Z1895742255 [0,2,0,0,0,0|2,0,0]=4 1320 B12R1.100 CC1=CC(=CC(=C1)OCCBr)C Z57057715 [0,2,0,0,0,0|2,0,0]=4 1321 B12R1.100 CC1=CC(=CC(=C1)OCCN)C Z763366274 [0,2,0,0,0,0|1,0,0]=3 1322 B12R1.100 CCCCC1=CC(=CC(=C1)O)O Z1513806573 [0,2,0,0,0,0|1,0,0]=3 1323 B12R1.100 NCCOC1=CC(=CC(=C1)Cl)Cl Z3235197431 [0,2,0,0,0,0|1,0,0]=3 1324 B12R1.100 NCCOC1=CC(=CC(=C1)F)F Z1509466755 [0,2,0,0,0,0|1,0,0]=3 1325 B12R1.100 OCCNC1=CC(=CC(=C1)Cl)Cl Z335266822 [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.226 CC(=O)CCC1=CC(=CC=C1)C Z406376778 [0,2,0,0,0,0|1,0,1]=4 1327 B12R1.226 CC(=O)CCC1=CC(=CC=C1)F Z406376716 [0,2,0,0,0,0|1,0,1]=4 1328 B12R1.226 CC(C)CNC1=CC(=CC=C1)Cl Z2236582079 [0,2,0,0,0,0|2,0,0]=4 1329 B12R1.226 CC(C)CNC1=CC(=CC=C1)O Z335562026 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.226 CC(C)COC1=CC(=CC=C1)N Z223656242 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.226 CC(C)NCC1=CC(=CC=C1)Br Z86129864 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.226 CC(C)NCC1=CC(=CC=C1)Cl Z86129878 [0,2,0,0,0,0|2,0,0]=4 1333 B12R1.226 CC(C)NCC1=CC(=CC=C1)F Z86129899 [0,2,0,0,0,0|2,0,0]=4 1334 B12R1.226 CC(C)OCC1=CC(=CC=C1)Br Z823855536 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.226 CC(C)OCC1=CC(=CC=C1)N Z285178238 [0,2,0,0,0,0|2,0,0]=4 1336 B12R1.226 CC(C)SCC1=CC(=CC=C1)N Z600446400 [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.226 CC(N)CCC1=CC(=CC=C1)F Z406452418 [0,2,0,0,0,0|0,0,0]=2 1338 B12R1.226 CC(N)COC1=CC(=CC=C1)F Z271017410 [0,2,0,0,0,0|1,0,0]=3 1339 B12R1.226 CC(O)COC1=CC(=CC=C1)F Z854226860 [0,2,0,0,0,0|2,0,0]=4 1340 B12R1.226 CC1=CC(=CC=C1)CCC(=O)N Z194976514 [0,2,0,0,0,0|0,0,1]=3 1341 B12R1.226 CC1=CC(=CC=C1)CCC(=O)O Z169993866 [0,2,0,0,0,0|1,0,1]=4 1342 B12R1.226 CC1=CC(=CC=C1)CNC(=S)N Z847147370 [0,2,0,0,0,0|1,0,1]=4 1343 B12R1.226 CC1=CC(=CC=C1)CSC(=N)N Z57992123 [0,2,0,0,0,0|1,0,1]=4 1344 B12R1.226 CC1=CC(=CC=C1)NCC(=O)N Z104589324 [0,2,0,0,0,0|1,0,1]=4 1345 B12R1.226 CC1=CC(=CC=C1)OCC(=O)N Z19732960 [0,2,0,0,0,0|1,0,1]=4 1346 B12R1.226 CC1=CC=CC(=C1)OCC(C)N Z271016790 [0,2,0,0,0,0|1,0,0]=3 1347 B12R1.226 FC(F)CNC1=CC(=CC=C1)Cl Z608352346 [0,2,0,0,0,0|2,0,0]=4 1348 B12R1.226 FC(F)COC1=CC(=CC=C1)Br Z608352774 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.226 N=C(N)SCC1=CC(=CC=C1)F Z48820172 [0,2,0,0,0,0|1,0,1]=4 1350 B12R1.226 NC(=O)CCC1=CC(=CC=C1)N Z414316850 [0,2,0,0,0,0|0,0,1]=3 1351 B12R1.226 NC(=O)CNC1=CC(=CC=C1)Br Z104587998 [0,2,0,0,0,0|1,0,1]=4 1352 B12R1.226 NC(=O)CNC1=CC(=CC=C1)F Z104640682 [0,2,0,0,0,0|1,0,1]=4 1353 B12R1.226 NC(=O)COC1=CC(=CC=C1)F Z19755608 [0,2,0,0,0,0|1,0,1]=4 1354 B12R1.226 NC(=O)COC1=CC(=CC=C1)I Z25076202 [0,2,0,0,0,0|1,0,1]=4 1355 B12R1.226 NC(=O)COC1=CC(=CC=C1)N Z235344273 [0,2,0,0,0,0|1,0,1]=4 1356 B12R1.226 NC(=O)COC1=CC(=CC=C1)O Z381415558 [0,2,0,0,0,0|1,0,1]=4 1357 B12R1.226 NC(=O)NCC1=CC(=CC=C1)F Z362629554 [0,2,0,0,0,0|1,0,1]=4 1358 B12R1.226 O=C(O)CCC1=CC(=CC=C1)Br Z56943439 [0,2,0,0,0,0|1,0,1]=4 1359 B12R1.226 O=C(O)CCC1=CC(=CC=C1)F Z185153196 [0,2,0,0,0,0|1,0,1]=4 1360 B12R1.226 O=C(O)CCC1=CC(=CC=C1)O Z317038038 [0,2,0,0,0,0|1,0,1]=4 1361 B12R1.382 C=CCCC1=CC(=CC=C1)C=O Z1511874801 [0,2,0,0,0,0|1,0,1]=4 1362 B12R1.382 CCC1=CC(=CC=C1)CCCN Z5176470303 [0,2,0,0,0,0|0,0,0]=2 1363 B12R1.382 CCC1=CC(=CC=C1)OCCBr Z90123571 [0,2,0,0,0,0|2,0,0]=4 1364 B12R1.382 CCCOC1=CC(=CC=C1)C#N Z54774652 [0,2,0,0,0,0|2,0,0]=4 1365 B12R1.382 CCCOC1=CC(=CC=C1)C=O Z53836053 [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.382 CCCOC1=CC(=CC=C1)CN Z444311274 [0,2,0,0,0,0|2,0,0]=4 1367 B12R1.382 CCCSC1=CC(=CC=C1)CO Z3234624746 [0,2,0,0,0,0|2,0,0]=4 1368 B12R1.382 CCOCC1=CC(=CC=C1)CN Z744843456 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.382 CNCCC1=CC(=CC=C1)C#N Z2734594341 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.382 COC1=CC(=CC=C1)CCC=O Z993017768 [0,2,0,0,0,0|1,0,1]=4 1371 B12R1.382 COC1=CC(=CC=C1)CCCN Z1262398467 [0,2,0,0,0,0|0,0,0]=2 1372 B12R1.382 COC1=CC(=CC=C1)CCCO Z993012490 [0,2,0,0,0,0|1,0,0]=3 1373 B12R1.382 COC1=CC(=CC=C1)OCCN Z335452802 [0,2,0,0,0,0|1,0,0]=3 1374 B12R1.382 N#CC1=CC(=NC=C1)NCCN Z3018410363 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.382 N#CC1=CC=CC(=C1)OCCBr Z285922284 [0,2,0,0,0,0|2,0,0]=4 1376 B12R1.382 N#CC1=CC=CC(=C1)OCCN Z4105362361 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.382 O=CC1=CC=CC(=C1)OCCO Z295452940 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.8 C#CCNOCC1=CC=CC=C1 Z1251328742 [0,2,0,0,0,0|1,0,1]=4 1379 B12R1.8 C=CCNCCC1=CC=CC=C1 Z90513756 [0,2,0,0,0,0|1,0,0]=3 1380 B12R1.8 CCCCCOC1=CC=CC=C1 Z239095428 [0,2,0,0,0,0|1,0,0]=3 1381 B12R1.8 CCCNCCC1=CC=CC=C1 Z90518163 [0,2,0,0,0,0|1,0,0]=3 1382 B12R1.8 CCCNCCC1=NC=CC=C1 Z53110779 [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.8 CCOCCNC1=CC=CC=C1 Z5256735719 [0,2,0,0,0,0|1,0,0]=3 1384 B12R1.8 CNCCCCC1=CC=CC=C1 Z385446848 [0,2,0,0,0,0|0,0,0]=2 1385 B12R1.8 CNCCCNC1=CC=CC=C1 Z852438504 [0,2,0,0,0,0|0,0,0]=2 1386 B12R1.8 CNCCCOC1=CC=CC=C1 Z163881564 [0,2,0,0,0,0|0,0,0]=2 1387 B12R1.8 CNCCNCC1=CC=CC=C1 Z425484772 [0,2,0,0,0,0|0,0,0]=2 1388 B12R1.8 COCCNCC1=CC=CC=C1 Z56945503 [0,2,0,0,0,0|1,0,0]=3 1389 B12R1.8 COCCNCC1=CN=CC=C1 Z90501855 [0,2,0,0,0,0|2,0,0]=4 1390 B12R1.8 COCCNCC1=NC=CC=C1 Z90501853 [0,2,0,0,0,0|2,0,0]=4 1391 B12R1.8 CSCCCNC1=CN=CC=C1 Z2670693189 [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.8 N#CCC/C=C/C1=CC=CC=C1 Z3300796892 [0,2,0,0,0,0|0,0,2]=4 1393 B12R1.8 N#CCCCOC1=NC=CC=C1 Z360509256 [0,2,0,0,0,0|1,0,1]=4 1394 B12R1.8 N#CCCNCC1=CC=NC=C1 Z56965984 [0,2,0,0,0,0|1,0,1]=4 1395 B12R1.8 N#CCCNCC1=CN=CC=C1 Z53116802 [0,2,0,0,0,0|1,0,1]=4 1396 B12R1.8 N#CCCNCC1=NC=CC=C1 Z53116751 [0,2,0,0,0,0|1,0,1]=4 1397 B12R1.8 N#CCCOCC1=CC=CC=C1 Z317037710 [0,2,0,0,0,0|0,0,1]=3 1398 B12R1.8 NCCCCCC1=CC=CC=C1 Z820118542 [0,2,0,0,0,0|0,0,0]=2 1399 B12R1.8 NCCCCNC1=NC=CC=C1 Z600500000 [0,2,0,0,0,0|1,0,0]=3 1400 B12R1.8 NCCCOCC1=CC=CC=C1 Z104377938 [0,2,0,0,0,0|0,0,0]=2 1401 B12R1.8 NCCOCCC1=CC=CC=C1 Z1270210787 [0,2,0,0,0,0|0,0,0]=2 1402 B12R1.8 O=CCCCOC1=CC=CC=C1 Z993017686 [0,2,0,0,0,0|1,0,0]=3 1403 B12R1.8 OCCCCOC1=CC=CC=C1 Z425795850 [0,2,0,0,0,0|1,0,0]=3 1404 B12R1.8 OCCCNCC1=CC=CC=C1 Z57079457 [0,2,0,0,0,0|1,0,0]=3 1405 B12R1.8 OCCCNCC1=CC=NC=C1 Z57455339 [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.8 OCCCNCC1=CN=CC=C1 Z57244080 [0,2,0,0,0,0|2,0,0]=4 1407 B12R1.8 OCCCOCC1=CC=CC=C1 Z1080358454 [0,2,0,0,0,0|1,0,0]=3 1408 B12R1.8 OCCCSCC1=CC=CC=C1 Z104944808 [0,2,0,0,0,0|1,0,0]=3 1409 B12R1.8 OCCNCCC1=CC=CC=C1 Z90504498 [0,2,0,0,0,0|1,0,0]=3 1410 B12R1.27 C#CC(=O)CCC1=CC=CC=C1 Z1266856412 [0,2,0,0,0,0|1,0,1]=4 1411 B12R1.27 CC(C=O)CCC1=CC=CC=C1 Z1238838034 [0,2,0,0,0,0|1,0,0]=3 1412 B12R1.27 CC(CO)COC1=CC=CC=C1 Z1255385347 [0,2,0,0,0,0|1,0,0]=3 1413 B12R1.27 CC(CO)OCC1=CC=CC=C1 Z1492906786 [0,2,0,0,0,0|1,0,0]=3 1414 B12R1.27 CC(COC1=CC=CC=C1)NN Z2286637842 [0,2,0,0,0,0|1,0,0]=3 1415 B12R1.27 CCC(C)NCC1=CC=CC=C1 Z57981002 [0,2,0,0,0,0|1,0,0]=3 1416 B12R1.27 CCC(N)CCC1=CC=CC=C1 Z406453862 [0,2,0,0,0,0|0,0,0]=2 1417 B12R1.27 CCC(N)CNC1=CC=CC=C1 Z756919558 [0,2,0,0,0,0|1,0,0]=3 1418 B12R1.27 CCC(N)CSC1=CC=CC=C1 Z1238715197 [0,2,0,0,0,0|1,0,0]=3 1419 B12R1.27 CCC(O)CCC1=CN=CC=C1 Z1233227787 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.27 CCC(O)CNC1=CC=CC=C1 Z600449702 [0,2,0,0,0,0|1,0,0]=3 1421 B12R1.27 CN(CCC1=CC=CC=C1)N=O Z3965372830 [0,2,0,0,0,0|1,0,1]=4 1422 B12R1.27 CNC(=O)CCC1=CC=CC=C1 Z32016418 [0,2,0,0,0,0|0,0,1]=3 1423 B12R1.27 CNC(=O)COC1=CC=CC=C1 Z19735428 [0,2,0,0,0,0|1,0,1]=4 1424 B12R1.27 CNC(=O)CSC1=CC=CC=C1 Z19750829 [0,2,0,0,0,0|1,0,1]=4 1425 B12R1.27 CNC(=O)OCC1=CC=CC=C1 Z32016983 [0,2,0,0,0,0|1,0,1]=4 1426 B12R1.27 COC(=O)CCC1=CC=CC=C1 Z18264384 [0,2,0,0,0,0|1,0,1]=4 1427 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 Z823499606 [0,2,0,0,0,0|1,0,0]=3 1428 B12R1.27 N/C(=N\O)/CCC1=CC=CC=C1 Z285132818 [0,2,0,0,0,0|0,0,1]=3 1429 B12R1.27 N/C(=N\O)/COC1=CC=CC=C1 Z104341168 [0,2,0,0,0,0|1,0,1]=4 1430 B12R1.27 NCC(=O)CCC1=CC=CC=C1 Z3719299469 [0,2,0,0,0,0|0,0,0]=2 1431 B12R1.27 NCC(=O)NCC1=CC=CC=C1 Z398557160 [0,2,0,0,0,0|0,0,1]=3 1432 B12R1.27 NCC(=O)NCC1=CC=NC=C1 Z1262246178 [0,2,0,0,0,0|1,0,1]=4 1433 B12R1.27 NCC(=O)OCC1=CC=CC=C1 Z56904671 [0,2,0,0,0,0|0,0,1]=3 1434 B12R1.27 NCC(O)COC1=CC=CC=C1 Z271072310 [0,2,0,0,0,0|0,0,0]=2 1435 B12R1.27 NNC(=O)CNC1=CC=CC=C1 Z56886393 [0,2,0,0,0,0|1,0,1]=4 1436 B12R1.27 NNC(=S)NCC1=CC=CC=C1 Z56828396 [0,2,0,0,0,0|1,0,1]=4 1437 B12R1.27 O=C(CCl)CCC1=CC=CC=C1 Z1255432257 [0,2,0,0,0,0|1,0,0]=3 1438 B12R1.27 O=C(CCl)COC1=CC=CC=C1 Z1255416714 [0,2,0,0,0,0|1,0,1]=4 1439 B12R1.27 O=C(CCl)NCC1=CC=CC=C1 Z56896328 [0,2,0,0,0,0|1,0,1]=4 1440 B12R1.27 O=C(CO)NCC1=CC=CC=C1 Z228585446 [0,2,0,0,0,0|1,0,1]=4 1441 B12R1.27 OC[C@H](O)COC1=CC=CC=C1 Z1201626370 [0,2,0,0,0,0|1,0,0]=3 1442 B12R1.32 C#CCN(C)CC1=CC=CC=C1 Z103710848 [0,2,0,0,0,0|1,0,1]=4 1443 B12R1.32 CCCC(=O)CC1=CC=CC=C1 Z513733628 [0,2,0,0,0,0|1,0,0]=3 1444 B12R1.32 CCCC(C)NC1=CC=CC=C1 Z334878280 [0,2,0,0,0,0|1,0,0]=3 1445 B12R1.32 CCCC(N)CC1=CC=CC=C1 Z513795750 [0,2,0,0,0,0|1,0,0]=3 1446 B12R1.32 CN(CCN)CC1=CC=CC=C1 Z285207092 [0,2,0,0,0,0|0,0,0]=2 1447 B12R1.32 CN(CCO)CC1=CC=CC=C1 Z137706074 [0,2,0,0,0,0|1,0,0]=3 1448 B12R1.32 CNC/C(=C/C1=CC=CC=C1)/C Z1137726270 [0,2,0,0,0,0|0,0,2]=4 1449 B12R1.32 CNCC(=O)NC1=CC=CC=C1 Z380844554 [0,2,0,0,0,0|1,0,1]=4 1450 B12R1.32 CNCC(N)CC1=CC=CC=C1 Z756920442 [0,2,0,0,0,0|0,0,0]=2 1451 B12R1.32 COCC(=O)CC1=CC=CC=C1 Z447897954 [0,2,0,0,0,0|1,0,1]=4 1452 B12R1.32 COCC(N)CC1=CC=CC=C1 Z825742276 [0,2,0,0,0,0|1,0,0]=3 1453 B12R1.32 NC(CCO)CC1=CC=CC=C1 Z1992316427 [0,2,0,0,0,0|1,0,0]=3 1454 B12R1.32 NCCC(=O)NC1=CC=CC=C1 Z241054028 [0,2,0,0,0,0|0,0,1]=3 1455 B12R1.32 NCCC(=O)NC1=CC=NC=C1 Z992716916 [0,2,0,0,0,0|1,0,1]=4 1456 B12R1.32 NCCC(=O)NC1=CN=CC=C1 Z1101435045 [0,2,0,0,0,0|1,0,1]=4 1457 B12R1.32 NCCC(=O)NC1=NC=CC=C1 Z398557256 [0,2,0,0,0,0|1,0,1]=4 1458 B12R1.32 NCCS(=O)CC1=CC=CC=C1 Z802568488 [0,2,0,0,0,0|0,0,0]=2 1459 B12R1.32 O=C(CCCl)NC1=CC=CC=C1 Z217707130 [0,2,0,0,0,0|1,0,1]=4 1460 B12R1.252 CC(=O)CCCC1=CN=CC=C1 Z1255405032 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.252 CC(=O)NCCC1=CC=CC=C1 Z27761567 [0,2,0,0,0,0|1,0,1]=4 1462 B12R1.252 CC(N)CCCC1=CN=CC=C1 Z1255362761 [0,2,0,0,0,0|1,0,0]=3 1463 B12R1.252 CC(N)COCC1=CC=CC=C1 Z271012730 [0,2,0,0,0,0|0,0,0]=2 1464 B12R1.252 CC(O)CCCC1=CN=CC=C1 Z1322050465 [0,2,0,0,0,0|2,0,0]=4 1465 B12R1.252 CC(O)CNCC1=CC=CC=C1 Z57326978 [0,2,0,0,0,0|1,0,0]=3 1466 B12R1.252 CN(C)CCCC1=CC=CC=C1 Z204698992 [0,2,0,0,0,0|0,0,0]=2 1467 B12R1.252 CN(C)CCNC1=CC=CC=C1 Z335250304 [0,2,0,0,0,0|1,0,0]=3 1468 B12R1.252 FC(F)CNCC1=CC=CC=C1 Z608352166 [0,2,0,0,0,0|1,0,0]=3 1469 B12R1.252 FC(F)CNCC1=CN=CC=C1 Z608352458 [0,2,0,0,0,0|2,0,0]=4 1470 B12R1.252 N=C(N)COCC1=CC=CC=C1 Z2574925846 [0,2,0,0,0,0|0,0,1]=3 1471 B12R1.252 N=C(N)CSCC1=CC=CC=C1 Z1795818268 [0,2,0,0,0,0|0,0,1]=3 1472 B12R1.252 N=C(N)NCCC1=NC=CC=C1 Z1089995406 [0,2,0,0,0,0|1,0,1]=4 1473 B12R1.252 NC(=O)CCNC1=CC=CC=C1 Z154666194 [0,2,0,0,0,0|0,0,1]=3 1474 B12R1.252 NC(=O)CCOC1=CC=CC=C1 Z33545291 [0,2,0,0,0,0|0,0,1]=3 1475 B12R1.252 NC(=O)CCSC1=CC=CC=C1 Z33547211 [0,2,0,0,0,0|0,0,1]=3 1476 B12R1.252 NC(=O)CNCC1=CC=CC=C1 Z90608463 [0,2,0,0,0,0|0,0,1]=3 1477 B12R1.252 NC(=O)CNCC1=CN=CC=C1 Z1695669950 [0,2,0,0,0,0|1,0,1]=4 1478 B12R1.252 NC(=O)COCC1=CC=CC=C1 Z52214418 [0,2,0,0,0,0|0,0,1]=3 1479 B12R1.252 NC(=O)NCCC1=CC=CC=C1 Z198194788 [0,2,0,0,0,0|0,0,1]=3 1480 B12R1.252 NC(=O)NCCC1=CN=CC=C1 Z432778234 [0,2,0,0,0,0|1,0,1]=4 1481 B12R1.252 NC(=O)NCCC1=NC=CC=C1 Z198194814 [0,2,0,0,0,0|1,0,1]=4 1482 B12R1.252 NC(=O)NOCC1=CC=CC=C1 Z56787772 [0,2,0,0,0,0|1,0,1]=4 1483 B12R1.252 NC(=S)NCCC1=CC=CC=C1 Z56933803 [0,2,0,0,0,0|0,0,1]=3 1484 B12R1.252 O=C(O)CCCC1=CC=CC=C1 Z234895119 [0,2,0,0,0,0|1,0,0]=3 1485 B12R1.252 O=C(O)CCCC1=CC=NC=C1 Z2106608658 [0,2,0,0,0,0|2,0,0]=4 1486 B12R1.252 O=C(O)CCCC1=NC=CC=C1 Z1259273117 [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.252 O=C(O)CCNC1=CC=CC=C1 Z56899128 [0,2,0,0,0,0|1,0,1]=4 1488 B12R1.252 O=C(O)CCOC1=CC=CC=C1 Z56854475 [0,2,0,0,0,0|1,0,1]=4 1489 B12R1.252 O=C(O)CCSC1=CC=CC=C1 Z56821538 [0,2,0,0,0,0|1,0,1]=4 1490 B12R1.252 O=C(O)CSCC1=CC=CC=C1 Z19691777 [0,2,0,0,0,0|1,0,1]=4 1491 B12R1.43 CC(=O)C(N)CC1=CC=CC=C1 Z90124995 [0,2,0,0,0,0|1,0,1]=4 1492 B12R1.43 CC(C)C(C)NC1=CC=CC=C1 Z334878086 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O Z513624710 [0,2,0,0,0,0|1,0,1]=4 1494 B12R1.43 CC(Cl)C(=O)CC1=CC=CC=C1 Z558478664 [0,2,0,0,0,0|1,0,1]=4 1495 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 Z1262640515 [0,2,0,0,0,0|0,0,1]=3 1496 B12R1.43 CC(N)C(=O)NC1=CC=CC=C1 Z1266933914 [0,2,0,0,0,0|1,0,1]=4 1497 B12R1.43 CC(N)C(C)OC1=CC=CC=C1 Z803066446 [0,2,0,0,0,0|1,0,0]=3 1498 B12R1.43 CC(N)C(O)CC1=CC=CC=C1 Z1483956878 [0,2,0,0,0,0|0,0,0]=2 1499 B12R1.43 CC(SC1=CC=CC=C1)C(=O)N Z19751098 [0,2,0,0,0,0|1,0,1]=4 1500 B12R1.43 CN(CC1=CC=CC=C1)C(=O)N Z198194348 [0,2,0,0,0,0|1,0,1]=4 1501 B12R1.43 CN(CC1=CC=CC=C1)C(=S)N Z228582754 [0,2,0,0,0,0|1,0,1]=4 1502 B12R1.43 C[C@@H](CC1=CC=CC=C1)C(=O)O Z1262510261 [0,2,0,0,0,0|1,0,1]=4 1503 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 Z317075516 [0,2,0,0,0,0|0,0,1]=3 1504 B12R1.43 NC(=O)C(N)CC1=NC=CC=C1 Z4981909244 [0,2,0,0,0,0|1,0,1]=4 1505 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 Z760046820 [0,2,0,0,0,0|0,0,1]=3 1506 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 Z933616656 [0,2,0,0,0,0|0,0,1]=3 1507 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O Z57127433 [0,2,0,0,0,0|1,0,1]=4 1508 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O Z756430566 [0,2,0,0,0,0|1,0,1]=4 1509 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O Z933646062 [0,2,0,0,0,0|1,0,1]=4 1510 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 Z788000648 [0,2,0,0,0,0|1,0,1]=4 1511 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 Z1255386695 [0,2,0,0,0,0|1,0,1]=4 1512 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 Z1255364914 [0,2,0,0,0,0|1,0,1]=4 1513 B12R1.118 CCC(C#N)OC1=CC=CC=C1 Z851010186 [0,2,0,0,0,0|2,0,0]=4 1514 B12R1.118 CCC(CC1=CC=CC=C1)NC Z513799420 [0,2,0,0,0,0|1,0,0]=3 1515 B12R1.118 CCC(CN)OC1=CC=CC=C1 Z851004988 [0,2,0,0,0,0|1,0,0]=3 1516 B12R1.118 CCC(CO)NC1=CC=CC=C1 Z734137648 [0,2,0,0,0,0|2,0,0]=4 1517 B12R1.118 CCN(CC1=CC=CC=C1)N=O Z1198158367 [0,2,0,0,0,0|2,0,0]=4 1518 B12R1.118 COC(C=O)CC1=CC=CC=C1 Z1511872212 [0,2,0,0,0,0|1,0,1]=4 1519 B12R1.118 COC(CO)CC1=CC=CC=C1 Z1896500221 [0,2,0,0,0,0|1,0,0]=3 1520 B12R1.118 N#CC(CO)CC1=CC=CC=C1 Z1098915220 [0,2,0,0,0,0|1,0,0]=3 1521 B12R1.118 NCC(CO)CC1=CC=CC=C1 Z234896807 [0,2,0,0,0,0|0,0,0]=2 1522 B12R1.118 NCC(CO)CC1=CN=CC=C1 Z1860991485 [0,2,0,0,0,0|1,0,0]=3 1523 B12R1.118 NCC(CO)CC1=NC=CC=C1 Z285228948 [0,2,0,0,0,0|1,0,0]=3 1524 B12R1.118 OCC(CO)CC1=CC=CC=C1 Z1255372888 [0,2,0,0,0,0|1,0,0]=3 1525 B12R1.194 CC(C)(C#N)CC1=CC=CC=C1 Z1259281880 [0,2,0,0,0,0|0,0,2]=4 1526 B12R1.194 CC(C)(C=O)CC1=CC=CC=C1 Z1188488760 [0,2,0,0,0,0|1,0,1]=4 1527 B12R1.194 CC(C)(CN)CC1=CC=CC=C1 Z1269638453 [0,2,0,0,0,0|0,0,0]=2 1528 B12R1.194 NCC(F)(F)OC1=CC=CC=C1 Z4201275590 [0,2,0,0,0,0|1,0,0]=3 1529 B12R1.891 CC(C)(C)CNC1=CC=CC=C1 Z685843996 [0,2,0,0,0,0|2,0,0]=4 1530 B12R1.891 CC(C)(C)NCC1=CC=CC=C1 Z56175285 [0,2,0,0,0,0|2,0,0]=4 1531 B12R1.891 CC(C)(N)CCC1=CC=CC=C1 Z1263529573 [0,2,0,0,0,0|0,0,0]=2 1532 B12R1.891 CC(C)(N)CNC1=CC=CC=C1 Z801831906 [0,2,0,0,0,0|1,0,0]=3 1533 B12R1.891 CC(C)(N)COC1=CC=CC=C1 Z4824791821 [0,2,0,0,0,0|1,0,0]=3 1534 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 Z513713254 [0,2,0,0,0,0|1,0,0]=3 1535 B12R1.891 CC(C)(O)COC1=CC=CC=C1 Z600459798 [0,2,0,0,0,0|2,0,0]=4 1536 B12R1.891 FC(F)(F)CNC1=CC=CC=C1 Z335250264 [0,2,0,0,0,0|2,0,0]=4 1537 B12R1.891 NS(=O)(=O)CCC1=CC=CC=C1 Z57965898 [0,2,0,0,0,0|1,0,0]=3 1538 B12R1.891 NS(=O)(=O)NCC1=CC=CC=C1 Z300098430 [0,2,0,0,0,0|2,0,0]=4 1539 B12R1.891 O=S(=O)(F)CCC1=CC=CC=C1 Z1258763618 [0,2,0,0,0,0|2,0,0]=4 1540 B10R2.6 C1=CC(=CC=N1)C2CC2 Z3042074264 [1,0,0,1,0,0|1,0,0]=3 1541 B10R2.6 C1=CC(=CC=N1)C2CO2 Z1187818726 [1,0,0,1,0,0|2,0,0]=4 1542 B10R2.6 C1=CC(=CN=C1)C2CO2 Z1187818722 [1,0,0,1,0,0|2,0,0]=4 1543 B10R2.6 C1=CC=C(C=C1)C2CO2 Z104486008 [1,0,0,1,0,0|1,0,0]=3 1544 B10R2.6 C1=CC=C(C=C1)[C@@H]2CO2 Z1255356265 [1,0,0,1,0,0|1,0,0]=3 1545 B10R2.6 C1=CC=C(C=C1)[C@H]2CO2 Z1255390768 [1,0,0,1,0,0|1,0,0]=3 1546 B10R2.6 C1=CN=C(C=C1)C2CO2 Z1187818707 [1,0,0,1,0,0|2,0,0]=4 1547 B10R2.7 C1=CC2=C(C=C1)CC=C2 Z104476162 [1,0,0,1,0,0|0,0,2]=4 1548 B10R2.7 C1=CC2=C(C=C1)CNC2 Z1263820391 [1,0,0,1,0,0|1,0,0]=3 1549 B10R2.7 C1=CC2=C(C=C1)COC2 Z839134770 [1,0,0,1,0,0|1,0,0]=3 1550 B10R2.7 C1=CC2=C(C=C1)NC=C2 Z57833933 [1,0,0,1,0,0|0,0,2]=4 1551 B10R2.7 C1=CC2=C(C=C1)NC=N2 Z57069879 [1,0,0,1,0,0|1,0,1]=4 1552 B10R2.7 C1=CC2=C(C=C1)NCC2 Z104475582 [1,0,0,1,0,0|0,0,0]=2 1553 B10R2.7 C1=CC2=C(C=C1)NN=C2 Z276614452 [1,0,0,1,0,0|1,0,1]=4 1554 B10R2.7 C1=CC2=C(C=C1)NN=N2 Z57127352 [1,0,0,1,0,0|2,0,0]=4 1555 B10R2.7 C1=CC2=C(C=C1)OCC2 Z104505448 [1,0,0,1,0,0|1,0,0]=3 1556 B10R2.7 C1=CC2=C(C=N1)CCN2 Z1650168304 [1,0,0,1,0,0|1,0,0]=3 1557 B10R2.7 C1=CC2=C(C=N1)CCO2 Z1681336163 [1,0,0,1,0,0|2,0,0]=4 1558 B10R2.7 C1=CC2=C(C=N1)NCC2 Z1603826893 [1,0,0,1,0,0|1,0,0]=3 1559 B10R2.7 C1=CC2=C(CCN2)N=C1 Z1203748137 [1,0,0,1,0,0|1,0,0]=3 1560 B10R2.7 C1=CC2=C(CNC2)N=C1 Z1741974952 [1,0,0,1,0,0|2,0,0]=4 1561 B10R2.7 C1=CC2=C(N=C1)NCC2 Z979438826 [1,0,0,1,0,0|1,0,0]=3 1562 B10R2.320 NC1CC2=C1C=CC=C2 Z1918018858 [1,0,0,1,0,0|0,0,0]=2 1563 B10R2.5 N[C@@H]1C[C@H]1C2=CNC=N2 Z2798782647 [0,0,0,1,1,0|2,0,0]=4 1564 B10R2.5 N[C@@H]1C[C@H]1C2=CSC=C2 Z2683264163 [0,0,0,1,1,0|1,0,0]=3 1565 B10R2.32 NC1CCN2C1=NC=C2 Z1216842580 [0,0,0,1,1,0|2,0,0]=4 1566 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 Z299596180 [0,1,0,1,0,0|1,0,0]=3 1567 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 Z1117899488 [0,1,0,1,0,0|2,0,0]=4 1568 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 Z1224524500 [0,1,0,1,0,0|2,0,0]=4 1569 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 Z283683538 [0,1,0,1,0,0|0,0,0]=2 1570 B12R2.24 BrC1=CC2=C(C=C1)NCCN2 Z1269212086 [0,1,0,1,0,0|1,0,0]=3 1571 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 Z1741976975 [0,1,0,1,0,0|1,0,0]=3 1572 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 Z56944508 [0,1,0,1,0,0|2,0,0]=4 1573 B12R2.24 BrC1=CC2=C(N=C1)NCCC2 Z1269123899 [0,1,0,1,0,0|1,0,0]=3 1574 B12R2.24 BrC1=CC2=C(N=C1)NCCN2 Z4956162371 [0,1,0,1,0,0|2,0,0]=4 1575 B12R2.24 BrC1=CC2=C(N=C1)NCCO2 Z1269198246 [0,1,0,1,0,0|2,0,0]=4 1576 B12R2.24 BrC1=CC2=C(N=C1)OCCC2 Z1269108179 [0,1,0,1,0,0|2,0,0]=4 1577 B12R2.24 BrC1=CC2=C(N=C1)OCCN2 Z1269152625 [0,1,0,1,0,0|2,0,0]=4 1578 B12R2.24 BrC1=CC2=C(N=C1)SCCN2 Z1762890325 [0,1,0,1,0,0|2,0,0]=4 1579 B12R2.24 CC1=CC2=C(C=C1)CCCN2 Z1166113428 [0,1,0,1,0,0|0,0,0]=2 1580 B12R2.24 CC1=CC2=C(C=C1)CNCC2 Z1839475447 [0,1,0,1,0,0|2,0,0]=4 1581 B12R2.24 CC1=CC2=C(C=C1)NCCC2 Z104494706 [0,1,0,1,0,0|0,0,0]=2 1582 B12R2.24 CC1=CC2=C(C=C1)NCCO2 Z1203731551 [0,1,0,1,0,0|1,0,0]=3 1583 B12R2.24 CC1=CC2=C(C=C1)OCCC2 Z939648534 [0,1,0,1,0,0|1,0,0]=3 1584 B12R2.24 CC1=CC2=C(N=C1)NCCN2 Z1255460712 [0,1,0,1,0,0|2,0,0]=4 1585 B12R2.24 CC1=CC2=C(N=C1)OCCN2 Z1255430604 [0,1,0,1,0,0|2,0,0]=4 1586 B12R2.24 CC1=NC2=C(C=C1)CCCN2 Z1198169981 [0,1,0,1,0,0|1,0,0]=3 1587 B12R2.24 CC1=NC2=C(C=C1)NCCC2 Z1203748441 [0,1,0,1,0,0|1,0,0]=3 1588 B12R2.24 CC1=NC2=C(C=C1)NCCO2 Z1262615161 [0,1,0,1,0,0|2,0,0]=4 1589 B12R2.24 CC1=NC2=C(C=C1)OCCN2 Z1198169979 [0,1,0,1,0,0|2,0,0]=4 1590 B12R2.24 CC1CC2=C(C=CC=C2)CN1 Z979717380 [0,1,0,1,0,0|2,0,0]=4 1591 B12R2.24 CC1CCC2=C(C1)N=CC=C2 Z2050228155 [0,1,0,1,0,0|2,0,0]=4 1592 B12R2.24 CC1CCC2=C(N1)C=CC=N2 Z4269599049 [0,1,0,1,0,0|1,0,0]=3 1593 B12R2.24 CC1CNC2=C(C1)C=CC=C2 Z1118526687 [0,1,0,1,0,0|0,0,0]=2 1594 B12R2.24 CC1CNC2=C(N1)C=CC=C2 Z1203731025 [0,1,0,1,0,0|1,0,0]=3 1595 B12R2.24 CC1CNC2=C(O1)C=CC=C2 Z1165160777 [0,1,0,1,0,0|1,0,0]=3 1596 B12R2.24 CC1CNC2=C(O1)C=CC=N2 Z1255468652 [0,1,0,1,0,0|2,0,0]=4 1597 B12R2.24 CC1CNC2=C(O1)N=CC=C2 Z1495332399 [0,1,0,1,0,0|2,0,0]=4 1598 B12R2.24 CC1CNC2=C(S1)C=CC=C2 Z1198343217 [0,1,0,1,0,0|1,0,0]=3 1599 B12R2.24 CC1CNC2=CC=CNC2=N1 Z1407672799 [0,1,0,1,0,0|2,0,0]=4 1600 B12R2.24 CC1COC2=C(N1)C=CC=C2 Z1201621516 [0,1,0,1,0,0|1,0,0]=3 1601 B12R2.24 CC1CSC2=C(N1)C=CC=C2 Z1262564902 [0,1,0,1,0,0|1,0,0]=3 1602 B12R2.24 C[C@@H]1CC2=C(C=CC=C2)CN1 Z1203733478 [0,1,0,1,0,0|2,0,0]=4 1603 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 Z3244460786 [0,1,0,1,0,0|0,0,0]=2 1604 B12R2.24 ClC1=CC2=C(C=C1)CCNC2 Z1716481593 [0,1,0,1,0,0|2,0,0]=4 1605 B12R2.24 ClC1=CC2=C(C=C1)NCCC2 Z259727454 [0,1,0,1,0,0|0,0,0]=2 1606 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 Z1198179941 [0,1,0,1,0,0|1,0,0]=3 1607 B12R2.24 ClC1=CC2=C(C=C1)OCCO2 Z382713970 [0,1,0,1,0,0|2,0,0]=4 1608 B12R2.24 ClC1=CC2=C(C=C1)SCCN2 Z361994002 [0,1,0,1,0,0|1,0,0]=3 1609 B12R2.24 ClC1=CC2=C(N=C1)NCCC2 Z1862012742 [0,1,0,1,0,0|1,0,0]=3 1610 B12R2.24 FC1=CC2=C(C=C1)CCNC2 Z979717316 [0,1,0,1,0,0|2,0,0]=4 1611 B12R2.24 FC1=CC2=C(C=C1)CNCC2 Z1198169933 [0,1,0,1,0,0|2,0,0]=4 1612 B12R2.24 FC1=CC2=C(CCCN2)N=C1 Z1255375849 [0,1,0,1,0,0|1,0,0]=3 1613 B12R2.24 IC1=CC2=C(N=C1)OCCC2 Z1486000685 [0,1,0,1,0,0|2,0,0]=4 1614 B12R2.24 NC1=CC2=C(C=C1)CCCC2 Z278204684 [0,1,0,1,0,0|1,0,0]=3 1615 B12R2.24 NC1=CC2=C(C=C1)OCCC2 Z728136682 [0,1,0,1,0,0|1,0,0]=3 1616 B12R2.24 NC1=CC2=C(C=C1)OCCO2 Z56893112 [0,1,0,1,0,0|2,0,0]=4 1617 B12R2.24 NC1=NC2=C(C=C1)CCCC2 Z1198183880 [0,1,0,1,0,0|2,0,0]=4 1618 B12R2.24 NC1=NC2=C(C=CC=C2)CS1 Z1198725303 [0,1,0,1,0,0|1,0,1]=4 1619 B12R2.24 NC1=NC=C2CCCCC2=C1 Z1198275331 [0,1,0,1,0,0|2,0,0]=4 1620 B12R2.24 NC1=NC=C2OCCCC2=C1 Z2235790796 [0,1,0,1,0,0|2,0,0]=4 1621 B12R2.24 NC1CCC2=C(C1)C=CC=C2 Z992716772 [0,1,0,1,0,0|0,0,0]=2 1622 B12R2.24 NC1CCC2=C(C1)C=CC=N2 Z1270312108 [0,1,0,1,0,0|1,0,0]=3 1623 B12R2.24 NC1COC2=C(C1)C=CC=C2 Z415636540 [0,1,0,1,0,0|1,0,0]=3 1624 B12R2.24 NC1COC2=C(C1)C=CC=N2 Z4410234846 [0,1,0,1,0,0|2,0,0]=4 1625 B12R2.24 O=C1C=C2CCCCC2=CN1 Z1203746588 [0,1,0,1,0,0|2,0,0]=4 1626 B12R2.24 O=C1C=C2NCCCC2=NN1 Z1827020799 [0,1,0,1,0,0|2,0,0]=4 1627 B12R2.24 O=C1C=CC2=C(N1)CCCC2 Z1198153259 [0,1,0,1,0,0|2,0,0]=4 1628 B12R2.24 O=C1CCC2=C(C1)C=CC=C2 Z104495562 [0,1,0,1,0,0|1,0,1]=4 1629 B12R2.24 O=C1CCC2=C(N1)C=CC=C2 Z85917566 [0,1,0,1,0,0|0,0,1]=3 1630 B12R2.24 O=C1CCC2=C(O1)C=CC=C2 Z586249466 [0,1,0,1,0,0|1,0,1]=4 1631 B12R2.24 O=C1CNC2=C(N1)C=CC=C2 Z56990723 [0,1,0,1,0,0|1,0,1]=4 1632 B12R2.24 O=C1COC2=C(N1)C=CC=C2 Z56989567 [0,1,0,1,0,0|1,0,1]=4 1633 B12R2.24 O=C1CSC2=C(N1)C=CC=C2 Z55120717 [0,1,0,1,0,0|1,0,1]=4 1634 B12R2.24 O=C1NC2=C(C=CC=C2)CO1 Z1198157416 [0,1,0,1,0,0|1,0,1]=4 1635 B12R2.24 OC1=CC2=C(C=C1)CCCC2 Z57182387 [0,1,0,1,0,0|1,0,0]=3 1636 B12R2.24 OC1=CC2=C(C=C1)CCCN2 Z1198176201 [0,1,0,1,0,0|0,0,0]=2 1637 B12R2.24 OC1=CC2=C(C=C1)CCNC2 Z382690838 [0,1,0,1,0,0|2,0,0]=4 1638 B12R2.24 OC1=CC2=C(C=C1)CCOC2 Z1551961557 [0,1,0,1,0,0|2,0,0]=4 1639 B12R2.24 OC1=CC2=C(C=C1)CNCC2 Z3018438111 [0,1,0,1,0,0|2,0,0]=4 1640 B12R2.24 OC1=CC2=C(C=C1)COCC2 Z1255359696 [0,1,0,1,0,0|2,0,0]=4 1641 B12R2.24 OC1=CC2=C(C=C1)NCCO2 Z4967332209 [0,1,0,1,0,0|1,0,0]=3 1642 B12R2.24 OC1=CC2=C(C=C1)OCCC2 Z1201627010 [0,1,0,1,0,0|1,0,0]=3 1643 B12R2.24 OC1=CC2=C(C=C1)OCCN2 Z3234815231 [0,1,0,1,0,0|1,0,0]=3 1644 B12R2.24 OC1=CC2=C(C=C1)OCCO2 Z168827500 [0,1,0,1,0,0|2,0,0]=4 1645 B12R2.24 OC1=CC2=C(CCCC2)N=C1 Z1255357750 [0,1,0,1,0,0|2,0,0]=4 1646 B12R2.24 OC1=NC2=C(C=C1)NCCC2 Z1618113980 [0,1,0,1,0,0|1,0,0]=3 1647 B12R2.24 OC1CCC2=C(C1)C=CC=C2 Z445987178 [0,1,0,1,0,0|1,0,0]=3 1648 B12R2.24 OC1CN=C2C=CC=CN2C1 Z1346385602 [0,1,0,1,0,0|1,0,1]=4 1649 B12R2.24 OC1CNC2=C(C1)C=CC=C2 Z1198341064 [0,1,0,1,0,0|0,0,0]=2 1650 B12R2.24 S=C1NC2=C(C=CC=C2)CS1 Z367678726 [0,1,0,1,0,0|1,0,1]=4 1651 B12R2.79 CC1=CC=C(C=C1)[C@@H]2C[C@H]2N Z2380468351 [0,1,0,1,0,0|0,0,0]=2 1652 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)Cl Z3074487523 [0,1,0,1,0,0|2,0,0]=4 1653 B12R2.79 C[C@@H]1O[C@H]1C2=CC=C(C=C2)F Z2527567177 [0,1,0,1,0,0|2,0,0]=4 1654 B12R2.79 NC1CC1C2=CC=C(C=C2)F Z1266823169 [0,1,0,1,0,0|0,0,0]=2 1655 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Br Z2298098036 [0,1,0,1,0,0|0,0,0]=2 1656 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(C=C2)Cl Z2298098012 [0,1,0,1,0,0|0,0,0]=2 1657 B12R2.132 CC1=CC2=C(C=C1)CCC2=O Z814904824 [0,1,0,1,0,0|1,0,1]=4 1658 B12R2.132 CC1=CC2=C(C=C1)CCC2N Z1259339087 [0,1,0,1,0,0|0,0,0]=2 1659 B12R2.132 CC1=CC2=C(C=C1)OCC2N Z1431002725 [0,1,0,1,0,0|1,0,0]=3 1660 B12R2.132 CN1CCC2=C1C=C(C=C2)N Z334596086 [0,1,0,1,0,0|2,0,0]=4 1661 B12R2.132 NC1=CC2=C(C=C1)CCC2=O Z1201619096 [0,1,0,1,0,0|1,0,1]=4 1662 B12R2.132 NC1=CC2=C(C=C1)CCC2O Z1203584428 [0,1,0,1,0,0|1,0,0]=3 1663 B12R2.132 NC1CCC2=C1C=C(C=C2)Cl Z2692095081 [0,1,0,1,0,0|0,0,0]=2 1664 B12R2.132 NC1CCC2=C1C=C(C=C2)F Z1263820321 [0,1,0,1,0,0|0,0,0]=2 1665 B12R2.132 NC1CCC2=C1C=C(C=C2)O Z1198165276 [0,1,0,1,0,0|0,0,0]=2 1666 B12R2.132 NC1COC2=C1C=C(C=C2)Br Z3241275758 [0,1,0,1,0,0|1,0,0]=3 1667 B12R2.132 NC1COC2=C1C=C(C=C2)Cl Z1431002566 [0,1,0,1,0,0|1,0,0]=3 1668 B12R2.132 NC1COC2=C1C=C(C=C2)F Z1698549696 [0,1,0,1,0,0|1,0,0]=3 1669 B12R2.132 NC1CSC2=C1C=C(C=C2)Br Z431545436 [0,1,0,1,0,0|1,0,0]=3 1670 B12R2.132 O=C1CCC2=C1C=C(C=C2)F Z814904728 [0,1,0,1,0,0|1,0,1]=4 1671 B12R2.132 O=C1CCC2=C1C=C(C=C2)I Z1269230336 [0,1,0,1,0,0|1,0,1]=4 1672 B12R2.132 OC1CCC2=C1C=C(C=C2)F Z815114600 [0,1,0,1,0,0|1,0,0]=3 1673 B12R2.294 BrC1=CC=C(C=C1)CC2CO2 Z2523466484 [0,1,0,1,0,0|1,0,0]=3 1674 B12R2.294 FC1=CC=C(C=C1)CC2CO2 Z1495386285 [0,1,0,1,0,0|1,0,0]=3 1675 B12R2.294 OC1=CC=C(C=C1)OC2CC2 Z1255401633 [0,1,0,1,0,0|2,0,0]=4 1676 B12R2.1728 N#CC1CC2=C1C=C(C=C2)F Z1216846090 [0,1,0,1,0,0|0,0,2]=4 1677 B12R2.2302 BrC1=CN=C(C=C1)C2CCC2 Z1269236361 [0,1,0,1,0,0|2,0,0]=4 1678 B12R2.2302 ClC1=CC=C(C=C1)C2CCN2 Z1267773691 [0,1,0,1,0,0|0,0,0]=2 1679 B12R2.2302 ClC1=CC=C(C=C1)C2CNC2 Z3244745362 [0,1,0,1,0,0|2,0,0]=4 1680 B12R2.2302 NC1=CC=C(C=C1)C2CCC2 Z1203579606 [0,1,0,1,0,0|1,0,0]=3 1681 B12R2.2302 NC1=NC=C(C=C1)C2CCC2 Z1255447265 [0,1,0,1,0,0|2,0,0]=4 1682 B12R2.2302 OC1=CC=C(C=C1)C2CCC2 Z1486032779 [0,1,0,1,0,0|1,0,0]=3 1683 B12R2.2 C1=CC(=CC=N1)C2=NCCN2 Z278202128 [0,1,0,1,0,0|1,0,1]=4 1684 B12R2.2 C1=CC(=CC=N1)C2CCCN2 Z238920298 [0,1,0,1,0,0|1,0,0]=3 1685 B12R2.2 C1=CC(=CC=N1)C2CCNC2 Z2492414323 [0,1,0,1,0,0|1,0,0]=3 1686 B12R2.2 C1=CC(=CN=C1)C2=NCCN2 Z275361154 [0,1,0,1,0,0|1,0,1]=4 1687 B12R2.2 C1=CC(=CN=C1)C2CCCN2 Z164706372 [0,1,0,1,0,0|1,0,0]=3 1688 B12R2.2 C1=CC(=NC=N1)C2CCCN2 Z2492774467 [0,1,0,1,0,0|2,0,0]=4 1689 B12R2.2 C1=CC=C(C=C1)C2=CCNC2 Z1574940564 [0,1,0,1,0,0|0,0,2]=4 1690 B12R2.2 C1=CC=C(C=C1)C2=NCCC2 Z235344923 [0,1,0,1,0,0|0,0,1]=3 1691 B12R2.2 C1=CC=C(C=C1)C2=NCCN2 Z283858536 [0,1,0,1,0,0|0,0,1]=3 1692 B12R2.2 C1=CC=C(C=C1)C2CCCN2 Z223138744 [0,1,0,1,0,0|0,0,0]=2 1693 B12R2.2 C1=CC=C(C=C1)C2CCNC2 Z926900322 [0,1,0,1,0,0|0,0,0]=2 1694 B12R2.2 C1=CN=C(C=C1)C2=NCCN2 Z1198221938 [0,1,0,1,0,0|1,0,1]=4 1695 B12R2.2 C1=CN=C(C=C1)C2CCNC2 Z940902744 [0,1,0,1,0,0|1,0,0]=3 1696 B12R2.2 C1=CN=C(C=C1)N2CCCC2 Z31197339 [0,1,0,1,0,0|2,0,0]=4 1697 B12R2.2 C1=CN=C(C=N1)C2CCNC2 Z2310698899 [0,1,0,1,0,0|2,0,0]=4 1698 B12R2.22 NC1CN(C1)C2=NC=CC=C2 Z3217364935 [0,1,0,1,0,0|2,0,0]=4 1699 B12R2.22 N[C@H]1C[C@@H](C1)C2=CC=CC=C2 Z2301685436 [0,1,0,1,0,0|0,0,0]=2 1700 B12R2.22 O=C1CC(C1)C2=CC=CC=C2 Z336080338 [0,1,0,1,0,0|1,0,1]=4 1701 B12R2.22 O=C1CC(N1)C2=CC=CC=C2 Z367677412 [0,1,0,1,0,0|0,0,1]=3 1702 B12R2.22 OC1CC(C1)C2=CC=CC=C2 Z501748204 [0,1,0,1,0,0|1,0,0]=3 1703 B12R2.22 O[C@H]1C[C@H](C1)C2=CC=CC=C2 Z1504675336 [0,1,0,1,0,0|1,0,0]=3 1704 B12R2.27 CNC1CC1C2=CC=CC=C2 Z1443588579 [0,1,0,1,0,0|0,0,0]=2 1705 B12R2.27 CN[C@@H]1C[C@H]1C2=CC=CC=C2 Z3024312938 [0,1,0,1,0,0|0,0,0]=2 1706 B12R2.27 N#C[C@@H]1C[C@H]1C2=CC=CC=C2 Z1198147613 [0,1,0,1,0,0|0,0,1]=3 1707 B12R2.27 NCC1CC1C2=CC=CC=C2 Z1276751392 [0,1,0,1,0,0|0,0,0]=2 1708 B12R2.27 O=C[C@@H]1C[C@H]1C2=CC=CC=C2 Z2298064271 [0,1,0,1,0,0|1,0,0]=3 1709 B12R2.27 OCC1OC1C2=CC=CC=C2 Z1509054538 [0,1,0,1,0,0|1,0,0]=3 1710 B12R2.116 CC1(CNC1)C2=CC=CC=C2 Z2143576561 [0,1,0,1,0,0|2,0,0]=4 1711 B12R2.116 NC1(CCC1)C2=CC=NC=C2 Z1198261773 [0,1,0,1,0,0|2,0,0]=4 1712 B12R2.116 NC1(CCC1)C2=CN=CC=C2 Z3655397645 [0,1,0,1,0,0|2,0,0]=4 1713 B12R2.116 OC1(CCC1)C2=CC=CC=C2 Z1198315122 [0,1,0,1,0,0|1,0,0]=3 1714 B12R2.235 CC1(CC1N)C2=CC=CC=C2 Z1259335890 [0,1,0,1,0,0|0,0,0]=2 1715 B12R2.1081 BrC1=C2CCCNC2=CC=C1 Z1269174223 [0,1,0,1,0,0|0,0,0]=2 1716 B12R2.1081 BrC1=C2CCNCC2=CC=C1 Z368591556 [0,1,0,1,0,0|2,0,0]=4 1717 B12R2.1081 BrC1=C2CNCCC2=CC=C1 Z1695923042 [0,1,0,1,0,0|2,0,0]=4 1718 B12R2.1081 BrC1=C2NCCCC2=CC=C1 Z992717150 [0,1,0,1,0,0|0,0,0]=2 1719 B12R2.1081 BrC1=C2NCCNC2=CC=C1 Z5857372668 [0,1,0,1,0,0|1,0,0]=3 1720 B12R2.1081 BrC1=C2NCCOC2=CC=C1 Z2943434775 [0,1,0,1,0,0|1,0,0]=3 1721 B12R2.1081 BrC1=C2NCCSC2=CC=C1 Z1269123510 [0,1,0,1,0,0|1,0,0]=3 1722 B12R2.1081 BrC1=C2OCCCC2=CC=C1 Z1269242001 [0,1,0,1,0,0|1,0,0]=3 1723 B12R2.1081 BrC1=C2OCCNC2=CC=C1 Z1983132695 [0,1,0,1,0,0|1,0,0]=3 1724 B12R2.1081 BrC1=C2OCCNC2=CN=C1 Z1269125430 [0,1,0,1,0,0|2,0,0]=4 1725 B12R2.1081 CC1=C2CCCNC2=CC=C1 Z1192360094 [0,1,0,1,0,0|0,0,0]=2 1726 B12R2.1081 CC1=C2CCNCC2=CC=C1 Z1891775029 [0,1,0,1,0,0|2,0,0]=4 1727 B12R2.1081 CC1=C2NCCCC2=CC=C1 Z199537268 [0,1,0,1,0,0|0,0,0]=2 1728 B12R2.1081 CC1=C2OCCNC2=NC=C1 Z1255448235 [0,1,0,1,0,0|2,0,0]=4 1729 B12R2.1081 CC1CCNC2=C1C=CC=C2 Z382691338 [0,1,0,1,0,0|0,0,0]=2 1730 B12R2.1081 CC1CNCC2=C1C=CC=C2 Z1741982189 [0,1,0,1,0,0|1,0,0]=3 1731 B12R2.1081 CN1CCNC2=C1C=CC=C2 Z558641952 [0,1,0,1,0,0|1,0,0]=3 1732 B12R2.1081 CN1CCNC2=C1C=CN=C2 Z1365408676 [0,1,0,1,0,0|2,0,0]=4 1733 B12R2.1081 CN1CCNC2=C1N=CC=C2 Z1198175997 [0,1,0,1,0,0|2,0,0]=4 1734 B12R2.1081 ClC1=C2CCNCC2=CC=C1 Z368591478 [0,1,0,1,0,0|2,0,0]=4 1735 B12R2.1081 ClC1=C2NCCCC2=CC=C1 Z259727508 [0,1,0,1,0,0|0,0,0]=2 1736 B12R2.1081 ClC1=C2OCCNC2=CC=C1 Z1255446801 [0,1,0,1,0,0|1,0,0]=3 1737 B12R2.1081 FC1=C2CCCNC2=CC=C1 Z1333761719 [0,1,0,1,0,0|0,0,0]=2 1738 B12R2.1081 FC1=C2CCNCC2=CC=C1 Z368591508 [0,1,0,1,0,0|2,0,0]=4 1739 B12R2.1081 FC1=C2CNCCC2=CC=C1 Z1198179884 [0,1,0,1,0,0|2,0,0]=4 1740 B12R2.1081 FC1=C2NCCCC2=CC=C1 Z247615872 [0,1,0,1,0,0|0,0,0]=2 1741 B12R2.1081 FC1=C2NCCOC2=CC=C1 Z1255361602 [0,1,0,1,0,0|1,0,0]=3 1742 B12R2.1081 IC1=C2CCCCC2=CC=C1 Z381540728 [0,1,0,1,0,0|1,0,0]=3 1743 B12R2.1081 NC1=C2CCCCC2=CC=C1 Z104502914 [0,1,0,1,0,0|1,0,0]=3 1744 B12R2.1081 NC1=C2CCCCC2=NC=C1 Z1203583324 [0,1,0,1,0,0|2,0,0]=4 1745 B12R2.1081 NC1=C2CCCNC2=CC=C1 Z1198176445 [0,1,0,1,0,0|0,0,0]=2 1746 B12R2.1081 NC1=C2CCOCC2=CC=C1 Z3398761712 [0,1,0,1,0,0|2,0,0]=4 1747 B12R2.1081 NC1=C2OCCCC2=CC=C1 Z1723491871 [0,1,0,1,0,0|1,0,0]=3 1748 B12R2.1081 NC1=C2OCCOC2=CC=C1 Z440625166 [0,1,0,1,0,0|2,0,0]=4 1749 B12R2.1081 NC1=C2SCCCC2=CC=C1 Z5584894309 [0,1,0,1,0,0|1,0,0]=3 1750 B12R2.1081 NC1CCCC2=C1C=CC=C2 Z316170348 [0,1,0,1,0,0|0,0,0]=2 1751 B12R2.1081 NC1CCCC2=C1C=CN=C2 Z3244922506 [0,1,0,1,0,0|1,0,0]=3 1752 B12R2.1081 NC1CCOC2=C1C=CC=C2 Z85923435 [0,1,0,1,0,0|0,0,0]=2 1753 B12R2.1081 NC1CCSC2=C1C=CC=C2 Z57066684 [0,1,0,1,0,0|0,0,0]=2 1754 B12R2.1081 NC1COCC2=C1C=CC=C2 Z1198178449 [0,1,0,1,0,0|0,0,0]=2 1755 B12R2.1081 NC1CSCC2=C1C=CC=C2 Z1695783215 [0,1,0,1,0,0|0,0,0]=2 1756 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 Z1442208747 [0,1,0,1,0,0|0,0,0]=2 1757 B12R2.1081 O=C1C=CNC2=C1CCCC2 Z1203745874 [0,1,0,1,0,0|2,0,0]=4 1758 B12R2.1081 O=C1CCCC2=C1C=CC=C2 Z104477014 [0,1,0,1,0,0|1,0,0]=3 1759 B12R2.1081 O=C1CCCC2=C1C=CC=N2 Z1201621685 [0,1,0,1,0,0|2,0,0]=4 1760 B12R2.1081 O=C1CCCC2=C1N=CC=C2 Z1201622535 [0,1,0,1,0,0|2,0,0]=4 1761 B12R2.1081 O=C1CCC[N+]2=C1C=CC=C2 Z1269112409 [0,1,0,1,0,0|2,0,0]=4 1762 B12R2.1081 O=C1CCNC2=C1C=CC=C2 Z1492781321 [0,1,0,1,0,0|0,0,1]=3 1763 B12R2.1081 O=C1CCOC2=C1C=CC=C2 Z85920466 [0,1,0,1,0,0|1,0,1]=4 1764 B12R2.1081 O=C1CCSC2=C1C=CC=C2 Z56914832 [0,1,0,1,0,0|1,0,1]=4 1765 B12R2.1081 O=C1COCC2=C1C=CC=C2 Z1201625145 [0,1,0,1,0,0|1,0,1]=4 1766 B12R2.1081 O=C1NC=NC2=C1CCCN2 Z1139192314 [0,1,0,1,0,0|2,0,0]=4 1767 B12R2.1081 O=C1NCCC2=C1C=CC=C2 Z56801375 [0,1,0,1,0,0|1,0,1]=4 1768 B12R2.1081 O=C1NN=CC2=C1CCCN2 Z1216818830 [0,1,0,1,0,0|2,0,0]=4 1769 B12R2.1081 O=C1NN=CC2=C1NCCC2 Z1171339151 [0,1,0,1,0,0|2,0,0]=4 1770 B12R2.1081 O=S1CCNC2=C1C=CC=C2 Z217166136 [0,1,0,1,0,0|1,0,0]=3 1771 B12R2.1081 OB1OCCC2=C1C=CC=C2 Z1201624582 [0,1,0,1,0,0|2,0,0]=4 1772 B12R2.1081 OC1=C2CCCCC2=CC=C1 Z274762958 [0,1,0,1,0,0|1,0,0]=3 1773 B12R2.1081 OC1=C2CCCNC2=CC=C1 Z1203731295 [0,1,0,1,0,0|0,0,0]=2 1774 B12R2.1081 OC1=C2CCNCC2=CC=C1 Z2313108218 [0,1,0,1,0,0|2,0,0]=4 1775 B12R2.1081 OC1=C2CCOCC2=CC=C1 Z1255506128 [0,1,0,1,0,0|2,0,0]=4 1776 B12R2.1081 OC1=C2CNCCC2=CC=C1 Z3243654680 [0,1,0,1,0,0|2,0,0]=4 1777 B12R2.1081 OC1=C2NCCCC2=CC=C1 Z57001601 [0,1,0,1,0,0|0,0,0]=2 1778 B12R2.1081 OC1=C2OCCCC2=CC=C1 Z1198726643 [0,1,0,1,0,0|1,0,0]=3 1779 B12R2.1081 OC1=C2OCCOC2=CC=C1 Z1069599524 [0,1,0,1,0,0|2,0,0]=4 1780 B12R2.1081 OC1CCCC2=C1C=CC=C2 Z56899171 [0,1,0,1,0,0|1,0,0]=3 1781 B12R2.1081 OC1CCCC2=C1C=CC=N2 Z1198156585 [0,1,0,1,0,0|2,0,0]=4 1782 B12R2.1081 OC1CCCC2=C1C=NC=C2 Z1255398550 [0,1,0,1,0,0|2,0,0]=4 1783 B12R2.1081 OC1CCNC2=C1C=CC=C2 Z1198723522 [0,1,0,1,0,0|0,0,0]=2 1784 B12R2.1081 OC1CCOC2=C1C=CC=C2 Z335244980 [0,1,0,1,0,0|1,0,0]=3 1785 B12R2.1081 OC1CCSC2=C1C=CC=C2 Z57085790 [0,1,0,1,0,0|1,0,0]=3 1786 B12R2.1081 OC1COCC2=C1C=CC=C2 Z1255366473 [0,1,0,1,0,0|1,0,0]=3 1787 B12R2.1081 OC1CSCC2=C1C=CC=C2 Z445987402 [0,1,0,1,0,0|1,0,0]=3 1788 B12R2.1081 O[C@@H]1CCCC2=C1N=CC=C2 Z1255505566 [0,1,0,1,0,0|2,0,0]=4 1789 B12R2.1081 O[C@@H]1CCOC2=C1C=CC=C2 Z959151866 [0,1,0,1,0,0|1,0,0]=3 1790 B12R2.1081 O[C@@H]1CCSC2=C1C=CC=C2 Z959151622 [0,1,0,1,0,0|1,0,0]=3 1791 B12R2.1081 O[C@H]1CCCC2=C1N=CC=C2 Z1216847007 [0,1,0,1,0,0|2,0,0]=4 1792 B12R2.1081 O[C@H]1CCOC2=C1C=CC=C2 Z959151868 [0,1,0,1,0,0|1,0,0]=3 1793 B12R2.1081 O[C@H]1CCSC2=C1C=CC=C2 Z959151626 [0,1,0,1,0,0|1,0,0]=3 1794 B12R2.2028 CC1CC(=O)C2=C1C=CC=C2 Z335243948 [0,1,0,1,0,0|1,0,1]=4 1795 B12R2.2028 CC1CC(C2=C1C=CC=C2)N Z1263529672 [0,1,0,1,0,0|0,0,0]=2 1796 B12R2.2028 C[C@@H]1N[C@H](C2=C1C=CC=C2)C Z3675010941 [0,1,0,1,0,0|2,0,0]=4 1797 B12R2.2028 N[C@@H]1C[C@@H](C2=C1C=CC=C2)O Z4591105168 [0,1,0,1,0,0|0,0,0]=2 1798 B12R2.2075 CC(C1=CC=CC=C1)C2CO2 Z1020679814 [0,1,0,1,0,0|1,0,0]=3 1799 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 Z203239488 [0,1,0,1,0,0|1,0,0]=3 1800 B12R2.32 ClCC1CC2=C(O1)C=CC=C2 Z397587656 [0,1,0,1,0,0|1,0,0]=3 1801 B12R2.32 N#CC1CC2=C(C1)C=CC=C2 Z449368682 [0,1,0,1,0,0|0,0,2]=4 1802 B12R2.32 NCC1=CC2=C(N1)C=CC=C2 Z2106601624 [0,1,0,1,0,0|0,0,2]=4 1803 B12R2.32 NCC1=CC2=C(S1)C=CC=C2 Z57206121 [0,1,0,1,0,0|0,0,2]=4 1804 B12R2.32 NCC1=NC2=C(N1)C=CC=C2 Z104479710 [0,1,0,1,0,0|1,0,1]=4 1805 B12R2.32 NCC1=NC2=C(O1)C=CC=C2 Z2106602610 [0,1,0,1,0,0|1,0,1]=4 1806 B12R2.32 NCC1=NC2=C(S1)C=CC=C2 Z166630948 [0,1,0,1,0,0|1,0,1]=4 1807 B12R2.32 NCC1CC2=C(C1)C=CC=C2 Z1269638468 [0,1,0,1,0,0|0,0,0]=2 1808 B12R2.32 NCC1CC2=C(O1)C=CC=C2 Z291234246 [0,1,0,1,0,0|0,0,0]=2 1809 B12R2.32 O=CC1CC2=C(C1)C=CC=C2 Z1255436588 [0,1,0,1,0,0|1,0,1]=4 1810 B12R2.32 OCC1CC2=C(C1)C=CC=C2 Z1198176601 [0,1,0,1,0,0|1,0,0]=3 1811 B12R2.32 OCC1CC2=C(O1)C=CC=C2 Z397587206 [0,1,0,1,0,0|1,0,0]=3 1812 B12R2.115 CC1=C(C=CC=C1)[C@@H]2C[C@H]2N Z2286637165 [0,1,0,1,0,0|0,0,0]=2 1813 B12R2.115 NC1CC1C2=C(C=CC=C2)Br Z1269638533 [0,1,0,1,0,0|0,0,0]=2 1814 B12R2.115 N[C@@H]1C[C@H]1C2=C(C=CC=C2)Cl Z2298098040 [0,1,0,1,0,0|0,0,0]=2 1815 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 Z334686316 [0,1,0,1,0,0|1,0,1]=4 1816 B12R2.196 CN1CCC2=C(C=CC=C12)N Z5342302022 [0,1,0,1,0,0|2,0,0]=4 1817 B12R2.196 NC1=C2CCC(=O)C2=CC=C1 Z5097408049 [0,1,0,1,0,0|1,0,1]=4 1818 B12R2.196 NC1=C2CCC(C2=CC=C1)N Z4404079635 [0,1,0,1,0,0|0,0,0]=2 1819 B12R2.196 NC1CCC2=C(C=CC=C12)Br Z1263529547 [0,1,0,1,0,0|0,0,0]=2 1820 B12R2.196 NC1CCC2=C(C=CC=C12)Cl Z802671646 [0,1,0,1,0,0|0,0,0]=2 1821 B12R2.196 NC1CCC2=C(C=CC=C12)F Z802665924 [0,1,0,1,0,0|0,0,0]=2 1822 B12R2.196 NC1CCC2=C(C=CC=C12)O Z317054124 [0,1,0,1,0,0|0,0,0]=2 1823 B12R2.196 NC1COC2=C(C=CC=C12)Cl Z1416282556 [0,1,0,1,0,0|1,0,0]=3 1824 B12R2.196 NC1COC2=C(C=CC=C12)F Z4574897577 [0,1,0,1,0,0|1,0,0]=3 1825 B12R2.196 O=C1CCC2=C(C=CC=C12)Br Z334686326 [0,1,0,1,0,0|1,0,1]=4 1826 B12R2.196 O=C1CCC2=C(C=CC=C12)Cl Z234895081 [0,1,0,1,0,0|1,0,1]=4 1827 B12R2.196 O=C1CCC2=C(C=CC=C12)F Z334686322 [0,1,0,1,0,0|1,0,1]=4 1828 B12R2.196 O=C1CCC2=C(C=CC=C12)O Z203881856 [0,1,0,1,0,0|1,0,1]=4 1829 B12R2.196 OC1CCC2=C(C=CC=C12)Cl Z815114596 [0,1,0,1,0,0|1,0,0]=3 1830 B12R2.196 OC1CCC2=C(C=NC=C12)Br Z1813120127 [0,1,0,1,0,0|2,0,0]=4 1831 B12R2.225 BrC1=C(C=CC=C1)CC2CO2 Z1269241605 [0,1,0,1,0,0|1,0,0]=3 1832 B12R2.225 NC1=C(C=CC=C1)NC2CC2 Z2526439762 [0,1,0,1,0,0|2,0,0]=4 1833 B12R2.517 FC1=C(C=CC=C1)C2CCN2 Z1281078840 [0,1,0,1,0,0|0,0,0]=2 1834 B12R2.517 NC1=C(C=CC=C1)C2CCC2 Z3025871756 [0,1,0,1,0,0|1,0,0]=3 1835 B12R2.80 C[C@@H]1O[C@H]1C2=CC(=CC=C2)Cl Z2525216417 [0,1,0,1,0,0|2,0,0]=4 1836 B12R2.80 NC1CC1C2=CC(=CC=C2)Br Z1266823142 [0,1,0,1,0,0|0,0,0]=2 1837 B12R2.80 N[C@@H]1C[C@H]1C2=CC(=CC=C2)Cl Z2298098009 [0,1,0,1,0,0|0,0,0]=2 1838 B12R2.203 CC1=C2C(=O)CCC2=CC=C1 Z1255399735 [0,1,0,1,0,0|1,0,1]=4 1839 B12R2.203 NC1CCC2=C1C(=CC=C2)Cl Z5376597718 [0,1,0,1,0,0|0,0,0]=2 1840 B12R2.203 NC1COC2=C1C(=CC=C2)Cl Z2111525790 [0,1,0,1,0,0|1,0,0]=3 1841 B12R2.203 O=C1CCC2=CC=CC(=C12)F Z1201624056 [0,1,0,1,0,0|1,0,1]=4 1842 B12R2.203 O=C1CCC2=CC=CC(=C12)O Z1255416018 [0,1,0,1,0,0|1,0,1]=4 1843 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 Z318770612 [0,1,0,1,0,0|1,0,1]=4 1844 B12R2.612 CC1=CC2=C(C=C1)C(CC2)N Z802665938 [0,1,0,1,0,0|0,0,0]=2 1845 B12R2.612 CN1CCC2=C1C=CC(=C2)N Z992717374 [0,1,0,1,0,0|2,0,0]=4 1846 B12R2.612 CN1CCC2=C1C=CC(=C2)O Z2238129691 [0,1,0,1,0,0|2,0,0]=4 1847 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 Z57109500 [0,1,0,1,0,0|1,0,1]=4 1848 B12R2.612 NC1=CC2=C(C=C1)C(CC2)N Z2526714445 [0,1,0,1,0,0|0,0,0]=2 1849 B12R2.612 NC1CCC2=C1C=CC(=C2)Br Z802671682 [0,1,0,1,0,0|0,0,0]=2 1850 B12R2.612 NC1CCC2=C1C=CC(=C2)Cl Z802665886 [0,1,0,1,0,0|0,0,0]=2 1851 B12R2.612 NC1CCC2=C1C=CC(=C2)F Z802671620 [0,1,0,1,0,0|0,0,0]=2 1852 B12R2.612 NC1COC2=C1C=CC(=C2)Br Z1269171640 [0,1,0,1,0,0|1,0,0]=3 1853 B12R2.612 NC1COC2=C1C=CC(=C2)Cl Z3244818242 [0,1,0,1,0,0|1,0,0]=3 1854 B12R2.612 NC1COC2=C1C=CC(=C2)F Z3014279399 [0,1,0,1,0,0|1,0,0]=3 1855 B12R2.612 O=C1CCC2=C1C=CC(=C2)Br Z318770638 [0,1,0,1,0,0|1,0,1]=4 1856 B12R2.612 O=C1CCC2=C1C=CC(=C2)Cl Z318770634 [0,1,0,1,0,0|1,0,1]=4 1857 B12R2.612 O=C1CCC2=C1C=CC(=C2)F Z318770630 [0,1,0,1,0,0|1,0,1]=4 1858 B12R2.612 O=C1CCC2=C1C=CC(=C2)O Z1255457932 [0,1,0,1,0,0|1,0,1]=4 1859 B12R2.612 OC1CCC2=C1C=CC(=C2)Br Z756050350 [0,1,0,1,0,0|1,0,0]=3 1860 B12R2.612 OC1CCC2=C1C=CC(=C2)F Z1198318486 [0,1,0,1,0,0|1,0,0]=3 1861 B12R2.612 OC1CCC2=C1N=CC(=C2)Br Z1269195934 [0,1,0,1,0,0|2,0,0]=4 1862 B12R2.612 OC1COC2=C1C=CC(=C2)Br Z1362940613 [0,1,0,1,0,0|2,0,0]=4 1863 B12R2.612 OC1COC2=C1C=CC(=C2)Cl Z1362956560 [0,1,0,1,0,0|2,0,0]=4 1864 B12R2.612 OC1CSC2=C1C=CC(=C2)Br Z1862026249 [0,1,0,1,0,0|2,0,0]=4 1865 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Br Z1269146008 [0,1,0,1,0,0|1,0,0]=3 1866 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)Cl Z959151848 [0,1,0,1,0,0|1,0,0]=3 1867 B12R2.612 O[C@@H]1CCC2=C1C=CC(=C2)F Z959151860 [0,1,0,1,0,0|1,0,0]=3 1868 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)Cl Z959151850 [0,1,0,1,0,0|1,0,0]=3 1869 B12R2.612 O[C@H]1CCC2=C1C=CC(=C2)F Z959151856 [0,1,0,1,0,0|1,0,0]=3 1870 B12R2.1286 ClC1=CC(=CC=C1)CC2CO2 Z1495386153 [0,1,0,1,0,0|1,0,0]=3 1871 B12R2.1286 FC1=CC(=CC=C1)CC2CO2 Z1495386186 [0,1,0,1,0,0|1,0,0]=3 1872 B12R2.1286 NC1=CC(=CC=C1)NC2CC2 Z376447526 [0,1,0,1,0,0|2,0,0]=4 1873 B12R2.1286 OC1=CC(=CC=C1)OC2CC2 Z1255397767 [0,1,0,1,0,0|2,0,0]=4 1874 B12R2.2313 FC1=CC(=CC=C1)C2CCN2 Z1696844460 [0,1,0,1,0,0|0,0,0]=2 1875 B12R2.2313 FC1=CC(=CC=C1)C2CNC2 Z1436185316 [0,1,0,1,0,0|2,0,0]=4 1876 B12R2.2313 NC1=CC(=CC=C1)C2CCC2 Z1486032780 [0,1,0,1,0,0|1,0,0]=3 1877 B12R2.1 CCC1NCC2=C1C=CC=C2 Z2937794220 [0,1,0,1,0,0|1,0,0]=3 1878 B12R2.1 CNC1CCC2=C1C=CC=C2 Z239628830 [0,1,0,1,0,0|0,0,0]=2 1879 B12R2.1 N#CC1CCC2=C1C=CC=C2 Z415654704 [0,1,0,1,0,0|0,0,1]=3 1880 B12R2.1 N#CC1CSC2=C1C=CC=C2 Z1316762142 [0,1,0,1,0,0|0,0,2]=4 1881 B12R2.1 NCC1=CSC2=C1C=CC=C2 Z425459986 [0,1,0,1,0,0|0,0,2]=4 1882 B12R2.1 NCC1=NOC2=C1C=CC=C2 Z1203581810 [0,1,0,1,0,0|1,0,1]=4 1883 B12R2.1 NCC1=NSC2=C1C=CC=C2 Z2456396538 [0,1,0,1,0,0|1,0,1]=4 1884 B12R2.1 NCC1CCC2=C1C=CC=C2 Z415654944 [0,1,0,1,0,0|0,0,0]=2 1885 B12R2.1 NCC1CCC2=C1N=CC=C2 Z2489361097 [0,1,0,1,0,0|1,0,0]=3 1886 B12R2.1 NCC1COC2=C1C=CC=C2 Z1197877490 [0,1,0,1,0,0|0,0,0]=2 1887 B12R2.1 NCC1CSC2=C1C=CC=C2 Z1316760731 [0,1,0,1,0,0|0,0,0]=2 1888 B12R2.1 NCC1OCC2=C1C=CC=C2 Z2310708138 [0,1,0,1,0,0|0,0,0]=2 1889 B12R2.1 O=CC1CCC2=C1C=CC=C2 Z1070003774 [0,1,0,1,0,0|1,0,0]=3 1890 B12R2.1 O=NN1CCC2=C1C=CC=C2 Z1198156346 [0,1,0,1,0,0|1,0,1]=4 1891 B12R2.1 OCC1CCC2=C1C=CC=C2 Z1148209594 [0,1,0,1,0,0|1,0,0]=3 1892 B12R2.1 OCC1CNC2=C1C=CC=C2 Z2213893407 [0,1,0,1,0,0|1,0,0]=3 1893 B12R2.1 OCC1CSC2=C1C=CC=C2 Z1316761281 [0,1,0,1,0,0|1,0,0]=3 1894 B12R2.11 N[C@@H]1C[C@H]1SC2=CC=CC=C2 Z4598403773 [0,1,0,1,0,0|0,0,0]=2 1895 B12R2.23 CC1CNC1C2=CC=CC=C2 Z1268458216 [0,1,0,1,0,0|0,0,0]=2 1896 B12R2.23 NC1CCC1C2=CC=CC=C2 Z1203589614 [0,1,0,1,0,0|0,0,0]=2 1897 B12R2.23 N[C@@H]1CC[C@@H]1C2=CC=CC=C2 Z2489138864 [0,1,0,1,0,0|0,0,0]=2 1898 B12R2.23 O=C1CCN1C2=CC=CC=C2 Z1198221109 [0,1,0,1,0,0|1,0,1]=4 1899 B12R2.2057 C1=CC(=CC=N1)CNC2CC2 Z90517863 [0,1,0,1,0,0|2,0,0]=4 1900 B12R2.2057 C1=CC(=CN=C1)CNC2CC2 Z90517827 [0,1,0,1,0,0|2,0,0]=4 1901 B12R2.2057 C1=CC(=CN=C1)NCC2CC2 Z445153988 [0,1,0,1,0,0|2,0,0]=4 1902 B12R2.2057 C1=CC=C(C=C1)CCC2CO2 Z1033258586 [0,1,0,1,0,0|1,0,0]=3 1903 B12R2.2057 C1=CC=C(C=C1)NCC2CC2 Z431957604 [0,1,0,1,0,0|1,0,0]=3 1904 B12R2.2057 C1=CC=C(C=C1)OCC2CO2 Z57358969 [0,1,0,1,0,0|1,0,0]=3 1905 B12R2.2057 C1=CC=C(C=C1)SCC2CO2 Z330820010 [0,1,0,1,0,0|1,0,0]=3 1906 B12R2.2057 C1=CN=C(C=C1)CNC2CC2 Z90517825 [0,1,0,1,0,0|2,0,0]=4 1907 B12R2.2058 C1=CC(=CN=C1)OC2CNC2 Z3234812406 [0,1,0,1,0,0|2,0,0]=4 1908 B12R2.2058 C1=CC=C(C=C1)CC2CCN2 Z1324054892 [0,1,0,1,0,0|0,0,0]=2 1909 B12R2.2058 C1=CC=C(C=C1)CC2CNC2 Z234895271 [0,1,0,1,0,0|0,0,0]=2 1910 B12R2.18 CC1C2=C(C=CC=C2)CC1N Z1203580431 [0,1,0,1,0,0|1,0,0]=3 1911 B12R2.18 CC1C2=C(C=CC=C2)CC1O Z1349231024 [0,1,0,1,0,0|1,0,0]=3 1912 B12R2.18 CC1CC2=C(C1=O)C=CC=C2 Z854042930 [0,1,0,1,0,0|1,0,1]=4 1913 B12R2.18 CC1CC2=C(C1N)C=CC=C2 Z1182328130 [0,1,0,1,0,0|0,0,0]=2 1914 B12R2.18 CC1OC2=C(C1N)C=CC=C2 Z2160887371 [0,1,0,1,0,0|1,0,0]=3 1915 B12R2.18 C[C@@H]1CC2=C([C@H]1N)C=CC=C2 Z4993149521 [0,1,0,1,0,0|0,0,0]=2 1916 B12R2.18 C[C@H]1C2=C(C=CC=C2)C[C@H]1N Z2514551594 [0,1,0,1,0,0|1,0,0]=3 1917 B12R2.18 NC1CC2=C(C1=O)C=CC=C2 Z1551475987 [0,1,0,1,0,0|1,0,1]=4 1918 B12R2.18 NC1CC2=C(C1O)C=CC=C2 Z1431905060 [0,1,0,1,0,0|1,0,0]=3 1919 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O Z784894996 [0,1,0,1,0,0|0,0,0]=2 1920 B12R2.18 N[C@@H]1CC2=C([C@H]1O)C=CC=C2 Z2307327484 [0,1,0,1,0,0|1,0,0]=3 1921 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O Z4663003875 [0,1,0,1,0,0|0,0,0]=2 1922 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1N Z4749736623 [0,1,0,1,0,0|0,0,0]=2 1923 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O Z803127638 [0,1,0,1,0,0|0,0,0]=2 1924 B12R2.18 O=C1C2=C(C=CC=C2)CC1Cl Z854067258 [0,1,0,1,0,0|1,0,1]=4 1925 B12R2.18 OC1C2=C(C=CC=C2)CC1Br Z104485720 [0,1,0,1,0,0|1,0,0]=3 1926 B12R2.18 OC1C2=C(C=CC=C2)CC1F Z1509011291 [0,1,0,1,0,0|1,0,0]=3 1927 B12R2.37 CC1C(C1C2=CC=CC=C2)N Z3596843396 [0,1,0,1,0,0|0,0,0]=2 1928 B12R2.94 NC1(CC1)CC2=CC=CC=C2 Z1723549343 [0,1,0,1,0,0|1,0,0]=3 1929 B12R2.92 CC1(OC1C2=CC=CC=C2)C Z1486033030 [0,1,0,1,0,0|2,0,0]=4 1930 B12R2.2403 CC1(CCC2=C1C=CC=C2)N Z449371306 [0,1,0,1,0,0|0,0,0]=2 1931 B12R2.2403 CC1(CCC2=C1C=CC=C2)O Z449370928 [0,1,0,1,0,0|1,0,0]=3 1932 B12R2.2403 CC1(CNC2=C1C=CC=C2)C Z1413780522 [0,1,0,1,0,0|2,0,0]=4 1933 B12R2.2403 CC1(COC2=C1C=CC=C2)N Z5094222723 [0,1,0,1,0,0|1,0,0]=3 1934 B12R2.2403 N=S1(=O)CCC2=C1C=CC=C2 Z2514148544 [0,1,0,1,0,0|1,0,1]=4 1935 B12R2.3190 N=C(N)C1CC2=C1C=CC=C2 Z1613477992 [0,1,0,1,0,0|0,0,1]=3 1936 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 Z278165226 [0,0,0,2,0,0|1,0,0]=3 1937 B8R1.8 CCCC1=CNN=C1 Z1263714332 [1,0,0,0,1,0|2,0,0]=4 1938 B8R1.8 CCCC1=NC=CN1 Z1201043633 [1,0,0,0,1,0|2,0,0]=4 1939 B8R1.8 CNCC1=CC=CN1 Z102767010 [1,0,0,0,1,0|2,0,0]=4 1940 B8R1.8 CNCC1=CC=CO1 Z57051072 [1,0,0,0,1,0|2,0,0]=4 1941 B8R1.8 CNCC1=CC=CS1 Z56948283 [1,0,0,0,1,0|2,0,0]=4 1942 B8R1.8 CNCC1=COC=C1 Z385447092 [1,0,0,0,1,0|2,0,0]=4 1943 B8R1.8 CNCC1=CSC=C1 Z57206125 [1,0,0,0,1,0|2,0,0]=4 1944 B8R1.8 NCCC1=CC=CN1 Z810507730 [1,0,0,0,1,0|1,0,0]=3 1945 B8R1.8 NCCC1=CC=CO1 Z1694636467 [1,0,0,0,1,0|1,0,0]=3 1946 B8R1.8 NCCC1=CC=CS1 Z90662945 [1,0,0,0,1,0|1,0,0]=3 1947 B8R1.8 NCCC1=CC=NS1 Z2768432862 [1,0,0,0,1,0|2,0,0]=4 1948 B8R1.8 NCCC1=CNC=N1 Z1267773750 [1,0,0,0,1,0|2,0,0]=4 1949 B8R1.8 NCCC1=CNN=C1 Z336080532 [1,0,0,0,1,0|2,0,0]=4 1950 B8R1.8 NCCC1=COC=C1 Z2310701825 [1,0,0,0,1,0|1,0,0]=3 1951 B8R1.8 NCCC1=NC=CO1 Z4925106850 [1,0,0,0,1,0|2,0,0]=4 1952 B8R1.8 NCCC1=NC=CS1 Z2724334997 [1,0,0,0,1,0|2,0,0]=4 1953 B8R1.8 NCCC1=NNC=C1 Z2867120994 [1,0,0,0,1,0|2,0,0]=4 1954 B8R1.8 NCCN1C=CC=N1 Z271005714 [1,0,0,0,1,0|2,0,0]=4 1955 B8R1.8 NCCN1C=CN=C1 Z147642864 [1,0,0,0,1,0|2,0,0]=4 1956 B8R1.8 OCCC1=CC=CO1 Z1179944660 [1,0,0,0,1,0|2,0,0]=4 1957 B8R1.8 OCCC1=CC=CS1 Z397587354 [1,0,0,0,1,0|2,0,0]=4 1958 B8R1.8 OCCC1=COC=C1 Z1179944659 [1,0,0,0,1,0|2,0,0]=4 1959 B8R1.8 OCCC1=CSC=C1 Z397587098 [1,0,0,0,1,0|2,0,0]=4