0 B9R0.45 C#CCOCCOCCN P338370 [0,0,0,0,0,0|3,0,1]=4 1 B9R0.45 C(CCCCBr)CCCBr D106497 [0,0,0,0,0,0|4,0,0]=4 2 B9R0.45 C(CCCCBr)CCCO B153197 [0,0,0,0,0,0|4,0,0]=4 3 B9R0.45 C(CCCCBr)CCCO B467865 [0,0,0,0,0,0|4,0,0]=4 4 B9R0.45 C(CCCCCl)CCCCl D155002 [0,0,0,0,0,0|4,0,0]=4 5 B9R0.45 C(CCCCCl)CCCO C134369 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.45 C(CCCCI)CCCI D155008 [0,0,0,0,0,0|4,0,0]=4 7 B9R0.45 C(CCCCI)CCCI D473785 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.45 C(CCCCN)CCCN D106924 [0,0,0,0,0,0|2,0,0]=2 9 B9R0.45 C(CCCCN)CCCN O292851 [0,0,0,0,0,0|2,0,0]=2 10 B9R0.45 C(CCCCN)CCCN O492961 [0,0,0,0,0,0|2,0,0]=2 11 B9R0.45 C(CCCCO)CCCN A151057 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.45 C(CCCCO)CCCO O106925 [0,0,0,0,0,0|4,0,0]=4 13 B9R0.45 C(CCCCS)CCCS O109630 [0,0,0,0,0,0|4,0,0]=4 14 B9R0.45 C(CCNCCCN)CN N136556 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.45 C(CCNCCCN)CN N493987 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.45 C(CCNCCCN)CN S107071 [0,0,0,0,0,0|3,0,0]=3 17 B9R0.45 C(CCNCCCN)CN S416439 [0,0,0,0,0,0|3,0,0]=3 18 B9R0.45 C(CCNCCCN)CN S421040 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.45 C(CNCCNCCN)N T103760 [0,0,0,0,0,0|0,0,0]=0 20 B9R0.45 C(CNCCNCCN)N T103762 [0,0,0,0,0,0|0,0,0]=0 21 B9R0.45 C(CNCCNCCN)N T118830 [0,0,0,0,0,0|0,0,0]=0 22 B9R0.45 C(CNCCNCCN)N T278643 [0,0,0,0,0,0|0,0,0]=0 23 B9R0.45 C(CNCCNCCN)N T351225 [0,0,0,0,0,0|0,0,0]=0 24 B9R0.45 C(CNCCNCCN)N T399199 [0,0,0,0,0,0|0,0,0]=0 25 B9R0.45 C(CNCCNCCN)N T418727 [0,0,0,0,0,0|0,0,0]=0 26 B9R0.45 C(CNCCNCCN)N T423773 [0,0,0,0,0,0|0,0,0]=0 27 B9R0.45 C(CNCCNCCN)N T431497 [0,0,0,0,0,0|0,0,0]=0 28 B9R0.45 C(CNCCO)NCCO N140386 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.45 C(COCCCl)OCCCl B152851 [0,0,0,0,0,0|4,0,0]=4 30 B9R0.45 C(COCCI)OCCI B152842 [0,0,0,0,0,0|4,0,0]=4 31 B9R0.45 C(COCCOCCBr)O B339878 [0,0,0,0,0,0|4,0,0]=4 32 B9R0.45 C(COCCOCCCl)O C133890 [0,0,0,0,0,0|4,0,0]=4 33 B9R0.45 C(COCCOCCN)N B152231 [0,0,0,0,0,0|2,0,0]=2 34 B9R0.45 C(COCCOCCO)N H122187 [0,0,0,0,0,0|3,0,0]=3 35 B9R0.45 C(COCCOCCO)O P486555 [0,0,0,0,0,0|4,0,0]=4 36 B9R0.45 C(COCCOCCO)O T110408 [0,0,0,0,0,0|4,0,0]=4 37 B9R0.45 C(COCCOCCO)O T110409 [0,0,0,0,0,0|4,0,0]=4 38 B9R0.45 C(COCCS)OCCS D154345 [0,0,0,0,0,0|4,0,0]=4 39 B9R0.45 C(CSCCSCCO)O D108026 [0,0,0,0,0,0|4,0,0]=4 40 B9R0.45 CCCCCCCCCBr B105786 [0,0,0,0,0,0|4,0,0]=4 41 B9R0.45 CCCCCCCCCC D105229 [0,0,0,0,0,0|4,0,0]=4 42 B9R0.45 CCCCCCCCCC D105230 [0,0,0,0,0,0|4,0,0]=4 43 B9R0.45 CCCCCCCCCC D105231 [0,0,0,0,0,0|4,0,0]=4 44 B9R0.45 CCCCCCCCCC D105232 [0,0,0,0,0,0|4,0,0]=4 45 B9R0.45 CCCCCCCCCC D119691 [0,0,0,0,0,0|4,0,0]=4 46 B9R0.45 CCCCCCCCCCl C153658 [0,0,0,0,0,0|4,0,0]=4 47 B9R0.45 CCCCCCCCCI I157582 [0,0,0,0,0,0|4,0,0]=4 48 B9R0.45 CCCCCCCCCN N106767 [0,0,0,0,0,0|3,0,0]=3 49 B9R0.45 CCCCCCCCCO N105713 [0,0,0,0,0,0|4,0,0]=4 50 B9R0.45 CCCCCCCCCO N105714 [0,0,0,0,0,0|4,0,0]=4 51 B9R0.45 CCCCCCCCCO N301992 [0,0,0,0,0,0|4,0,0]=4 52 B9R0.45 CCCCCCCCCS N102324 [0,0,0,0,0,0|4,0,0]=4 53 B9R0.45 CCCCCCNCCN B301384 [0,0,0,0,0,0|2,0,0]=2 54 B9R0.45 CCCCCCOCCO E107697 [0,0,0,0,0,0|4,0,0]=4 55 B9R0.45 CCCCCCOCCO E107698 [0,0,0,0,0,0|4,0,0]=4 56 B8R0.4 C#CCCCCCCN O587273 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.4 C(CCCBr)CCCBr D106496 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.4 C(CCCN)CCCN D111099 [1,0,0,0,0,0|1,0,0]=2 59 B8R0.4 C(CCCN)CCCO A493194 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.4 C(CCCO)CCCBr B132089 [1,0,0,0,0,0|3,0,0]=4 61 B8R0.4 C(CCCO)CCCO H136447 [1,0,0,0,0,0|3,0,0]=4 62 B8R0.4 C(CN)CNCCCN D155042 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.4 CCCCCCCCBr B105260 [1,0,0,0,0,0|3,0,0]=4 64 B8R0.4 CCCCCCCCC N103391 [1,0,0,0,0,0|3,0,0]=4 65 B8R0.4 CCCCCCCCC N103392 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.4 CCCCCCCCC N103393 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.4 CCCCCCCCC N119711 [1,0,0,0,0,0|3,0,0]=4 68 B8R0.4 CCCCCCCCCl C111401 [1,0,0,0,0,0|3,0,0]=4 69 B8R0.4 CCCCCCCCCl C111402 [1,0,0,0,0,0|3,0,0]=4 70 B8R0.4 CCCCCCCCF F170468 [1,0,0,0,0,0|3,0,0]=4 71 B8R0.4 CCCCCCCCI I157580 [1,0,0,0,0,0|3,0,0]=4 72 B8R0.4 CCCCCCCCN N159007 [1,0,0,0,0,0|2,0,0]=3 73 B8R0.4 CCCCCCCCN N159690 [1,0,0,0,0,0|2,0,0]=3 74 B8R0.4 CCCCCCCCN O110545 [1,0,0,0,0,0|2,0,0]=3 75 B8R0.4 CCCCCCCCN O110546 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.4 CCCCCCCCN O491873 [1,0,0,0,0,0|2,0,0]=3 77 B8R0.4 CCCCCCCCN O492190 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.4 CCCCCCCCO O103324 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.4 CCCCCCCCO O103325 [1,0,0,0,0,0|3,0,0]=4 80 B8R0.4 CCCCCCCCO O103326 [1,0,0,0,0,0|3,0,0]=4 81 B8R0.4 CCCCCCCCO O119018 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.4 CCCCCCCCO O119679 [1,0,0,0,0,0|3,0,0]=4 83 B8R0.4 CCCCCCCCO O491594 [1,0,0,0,0,0|3,0,0]=4 84 B8R0.4 CCCCCCCCS O105587 [1,0,0,0,0,0|3,0,0]=4 85 B8R0.4 CCCCCCCC[CH2-] N332405 [1,0,0,0,0,0|3,0,0]=4 86 B8R0.4 CCCCCCCC[NH3+] N290338 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.4 CCCCOCCCN B152034 [1,0,0,0,0,0|3,0,0]=4 88 B8R0.4 CCNCCCNCC D124208 [1,0,0,0,0,0|3,0,0]=4 89 B8R0.4 CCOCCOCCO D104410 [1,0,0,0,0,0|3,0,0]=4 90 B8R0.4 CCOCCOCCO D104411 [1,0,0,0,0,0|3,0,0]=4 91 B8R0.4 CCOCCOCCO D104412 [1,0,0,0,0,0|3,0,0]=4 92 B10R0.71 C(CCCCN)CCCCN D185781 [0,1,0,0,0,0|2,0,0]=3 93 B10R0.71 C(CNCCN)CNCCN B124209 [0,1,0,0,0,0|0,0,0]=1 94 B10R0.71 CCCCCCCCCCN D107311 [0,1,0,0,0,0|3,0,0]=4 95 B10R0.71 CCCCCCCCCCN D292748 [0,1,0,0,0,0|3,0,0]=4 96 B10R0.71 CCCCCCCCCCN D492584 [0,1,0,0,0,0|3,0,0]=4 97 B10R0.71 CCCCCCNCCC#N H300337 [0,1,0,0,0,0|2,0,1]=4 98 B10R0.71 COCCOCCOCCN M122034 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.17 C1CCC(CC1)CCCN C170358 [0,0,0,1,0,0|3,0,0]=4 100 B10R1.17 C1CCC(CC1)NCCO N140389 [0,0,0,1,0,0|3,0,0]=4 101 B10R1.85 C1CCCC(CC1)CCN C170395 [0,0,0,1,0,0|3,0,0]=4 102 B10R1.85 C1CCCN(CC1)CCCl C138586 [0,0,0,1,0,0|3,0,0]=4 103 B10R1.85 C1CCCN(CC1)CCO H168438 [0,0,0,1,0,0|3,0,0]=4 104 B7R0.1 C(CCC#N)CCN A303171 [2,0,0,0,0,0|0,0,2]=4 105 B7R0.1 C(CCCBr)CCBr D106541 [2,0,0,0,0,0|2,0,0]=4 106 B7R0.1 C(CCCBr)CCCl B111196 [2,0,0,0,0,0|2,0,0]=4 107 B7R0.1 C(CCCBr)CCF B405383 [2,0,0,0,0,0|2,0,0]=4 108 B7R0.1 C(CCCBr)CCO B138834 [2,0,0,0,0,0|2,0,0]=4 109 B7R0.1 C(CCCBr)CCO S304692 [2,0,0,0,0,0|2,0,0]=4 110 B7R0.1 C(CCCCl)CCCl D110131 [2,0,0,0,0,0|2,0,0]=4 111 B7R0.1 C(CCCCl)CCO C109454 [2,0,0,0,0,0|2,0,0]=4 112 B7R0.1 C(CCCI)CCCl C153665 [2,0,0,0,0,0|2,0,0]=4 113 B7R0.1 C(CCCI)CCI D119377 [2,0,0,0,0,0|2,0,0]=4 114 B7R0.1 C(CCCN)CCN D134228 [2,0,0,0,0,0|0,0,0]=2 115 B7R0.1 C(CCCN)CCN H103908 [2,0,0,0,0,0|0,0,0]=2 116 B7R0.1 C(CCCN)CCN H103909 [2,0,0,0,0,0|0,0,0]=2 117 B7R0.1 C(CCCN)CCN H103910 [2,0,0,0,0,0|0,0,0]=2 118 B7R0.1 C(CCCO)CCN A101232 [2,0,0,0,0,0|1,0,0]=3 119 B7R0.1 C(CCCO)CCO H103707 [2,0,0,0,0,0|2,0,0]=4 120 B7R0.1 C(CCCO)CCO H103708 [2,0,0,0,0,0|2,0,0]=4 121 B7R0.1 C(CCCS)CCN A487010 [2,0,0,0,0,0|1,0,0]=3 122 B7R0.1 C(CCCS)CCO M123042 [2,0,0,0,0,0|2,0,0]=4 123 B7R0.1 C(CCCS)CCO M299208 [2,0,0,0,0,0|2,0,0]=4 124 B7R0.1 C(CCCS)CCS H106695 [2,0,0,0,0,0|2,0,0]=4 125 B7R0.1 C(CCC[NH3+])CC[NH3+] H292837 [2,0,0,0,0,0|0,0,2]=4 126 B7R0.1 C(CCC[NH3+])CC[NH3+] H292848 [2,0,0,0,0,0|0,0,2]=4 127 B7R0.1 C(CCC[NH3+])CC[NH3+] H492699 [2,0,0,0,0,0|0,0,2]=4 128 B7R0.1 C(CN)CNCCO N184580 [2,0,0,0,0,0|1,0,0]=3 129 B7R0.1 C(CN)CNCCS A134805 [2,0,0,0,0,0|1,0,0]=3 130 B7R0.1 C(CNCCN)CO N159094 [2,0,0,0,0,0|1,0,0]=3 131 B7R0.1 C(CSSCCN)N C153647 [2,0,0,0,0,0|2,0,0]=4 132 B7R0.1 C(CSSCCN)N C424758 [2,0,0,0,0,0|2,0,0]=4 133 B7R0.1 C(CSSCCN)N C597659 [2,0,0,0,0,0|2,0,0]=4 134 B7R0.1 C(CSSCCN)N D589340 [2,0,0,0,0,0|2,0,0]=4 135 B7R0.1 C(C[Se][Se]CCN)N D303521 [2,0,0,0,0,0|2,0,0]=4 136 B7R0.1 CCCCCCCBr B109258 [2,0,0,0,0,0|2,0,0]=4 137 B7R0.1 CCCCCCCC O100577 [2,0,0,0,0,0|2,0,0]=4 138 B7R0.1 CCCCCCCC O100578 [2,0,0,0,0,0|2,0,0]=4 139 B7R0.1 CCCCCCCC O100580 [2,0,0,0,0,0|2,0,0]=4 140 B7R0.1 CCCCCCCC O100581 [2,0,0,0,0,0|2,0,0]=4 141 B7R0.1 CCCCCCCC O119714 [2,0,0,0,0,0|2,0,0]=4 142 B7R0.1 CCCCCCCCl C153657 [2,0,0,0,0,0|2,0,0]=4 143 B7R0.1 CCCCCCCI I157581 [2,0,0,0,0,0|2,0,0]=4 144 B7R0.1 CCCCCCCN H113175 [2,0,0,0,0,0|1,0,0]=3 145 B7R0.1 CCCCCCCO H108210 [2,0,0,0,0,0|2,0,0]=4 146 B7R0.1 CCCCCCCO H108211 [2,0,0,0,0,0|2,0,0]=4 147 B7R0.1 CCCCCCCO H108212 [2,0,0,0,0,0|2,0,0]=4 148 B7R0.1 CCCCCCCS H102322 [2,0,0,0,0,0|2,0,0]=4 149 B7R0.1 CCCCCCNC N341547 [2,0,0,0,0,0|2,0,0]=4 150 B7R0.1 CCCCNCCN N159361 [2,0,0,0,0,0|0,0,0]=2 151 B7R0.1 CCCCNCCO B140397 [2,0,0,0,0,0|1,0,0]=3 152 B7R0.1 CCCCNCCO B299088 [2,0,0,0,0,0|1,0,0]=3 153 B7R0.1 CCCCNCCS B469395 [2,0,0,0,0,0|1,0,0]=3 154 B7R0.1 CCCCOCCCl B152831 [2,0,0,0,0,0|2,0,0]=4 155 B7R0.1 CCCCOCCN B357161 [2,0,0,0,0,0|1,0,0]=3 156 B7R0.1 CCCCOCCO E110823 [2,0,0,0,0,0|2,0,0]=4 157 B7R0.1 CCCCOCCO E110827 [2,0,0,0,0,0|2,0,0]=4 158 B7R0.1 CCCNCCCN I168897 [2,0,0,0,0,0|1,0,0]=3 159 B7R0.1 CCCNCCOC N158962 [2,0,0,0,0,0|2,0,0]=4 160 B7R0.1 CCNCCNCC N159359 [2,0,0,0,0,0|0,0,0]=2 161 B7R0.1 CCOCCOCC E103986 [2,0,0,0,0,0|2,0,0]=4 162 B7R0.1 CCOCCOCC E103987 [2,0,0,0,0,0|2,0,0]=4 163 B7R0.1 CCOCCOCC E103989 [2,0,0,0,0,0|2,0,0]=4 164 B7R0.1 COCCOCCN M122033 [2,0,0,0,0,0|2,0,0]=4 165 B9R0.2 CC(=O)NCCCCCN N159177 [1,1,0,0,0,0|1,0,1]=4 166 B9R0.2 CC(=O)NCCCCCN N423313 [1,1,0,0,0,0|1,0,1]=4 167 B9R0.2 CC(C)NCCCCCO I157485 [1,1,0,0,0,0|2,0,0]=4 168 B9R0.18 CN(CCCN)CCCN B105353 [1,1,0,0,0,0|2,0,0]=4 169 B11R0.3 C(CCCCCN)CCCCN D100615 [0,2,0,0,0,0|2,0,0]=4 170 B11R0.3 C(CCCCCN)CCCCN D292756 [0,2,0,0,0,0|2,0,0]=4 171 B11R0.3 C(CN)CNCCNCCCN B102523 [0,2,0,0,0,0|0,0,0]=2 172 B11R0.3 C(CN)COCCOCCCN E303365 [0,2,0,0,0,0|2,0,0]=4 173 B9R1.8 C#CCN1CCNCC1 P160722 [1,0,0,1,0,0|1,0,1]=4 174 B9R1.8 C1CCC(=CC1)CCN C153571 [1,0,0,1,0,0|2,0,0]=4 175 B9R1.8 C1CCC(CC1)CCN C153966 [1,0,0,1,0,0|2,0,0]=4 176 B9R1.8 C1CCN(CC1)CCCl C113518 [1,0,0,1,0,0|2,0,0]=4 177 B9R1.8 C1CCN(CC1)CCN A113914 [1,0,0,1,0,0|1,0,0]=3 178 B9R1.8 C1CCN(CC1)CCN P189302 [1,0,0,1,0,0|1,0,0]=3 179 B9R1.8 C1CCN(CC1)CCO H113280 [1,0,0,1,0,0|2,0,0]=4 180 B9R1.8 C1CCNC(C1)CCO P160104 [1,0,0,1,0,0|2,0,0]=4 181 B9R1.8 C1CCNC(C1)CCO R195067 [1,0,0,1,0,0|2,0,0]=4 182 B9R1.8 C1CCNC(C1)CCO S186630 [1,0,0,1,0,0|2,0,0]=4 183 B9R1.8 C1CCNC(C1)CCO S189442 [1,0,0,1,0,0|2,0,0]=4 184 B9R1.8 C1CN(CCN1)CCF F589411 [1,0,0,1,0,0|1,0,0]=3 185 B9R1.8 C1CN(CCN1)CCN A101279 [1,0,0,1,0,0|0,0,0]=2 186 B9R1.8 C1CN(CCN1)CCO H101744 [1,0,0,1,0,0|1,0,0]=3 187 B9R1.8 C1CNCCC1CCO P121582 [1,0,0,1,0,0|2,0,0]=4 188 B9R1.8 C1CNCCC1CCO P590668 [1,0,0,1,0,0|2,0,0]=4 189 B9R1.8 C1COCCC1CCN A184236 [1,0,0,1,0,0|2,0,0]=4 190 B9R1.8 C1COCCC1CCN A482649 [1,0,0,1,0,0|2,0,0]=4 191 B9R1.8 C1COCCN1CCBr B184492 [1,0,0,1,0,0|2,0,0]=4 192 B9R1.8 C1COCCN1CCCl C133320 [1,0,0,1,0,0|2,0,0]=4 193 B9R1.8 C1COCCN1CCN M108995 [1,0,0,1,0,0|1,0,0]=3 194 B9R1.8 C1COCCN1CCO H100457 [1,0,0,1,0,0|2,0,0]=4 195 B9R1.8 C=CCN1CCNCC1 A167179 [1,0,0,1,0,0|1,0,1]=4 196 B9R1.8 CCCN1CCNCC1 P160720 [1,0,0,1,0,0|1,0,0]=3 197 B9R1.8 CCCN1CCNCC1 P588168 [1,0,0,1,0,0|1,0,0]=3 198 B9R1.8 CCNC1CCCCC1 E124549 [1,0,0,1,0,0|2,0,0]=4 199 B9R1.8 CCOC1CCCNC1 E347267 [1,0,0,1,0,0|2,0,0]=4 200 B9R1.14 CCN1CCCC1CN A102507 [1,0,0,1,0,0|1,0,0]=3 201 B9R1.14 CCN1CCCC1CN A110239 [1,0,0,1,0,0|1,0,0]=3 202 B9R1.14 CCN1CCCC1CN R300604 [1,0,0,1,0,0|1,0,0]=3 203 B9R1.33 C1CN(C(=O)N1)CCN A185652 [1,0,0,1,0,0|1,0,1]=4 204 B9R1.50 C1CCCC(CCC1)N C153969 [1,0,0,1,0,0|2,0,0]=4 205 B9R1.103 C1CNCCNCCN1 T162094 [1,0,0,1,0,0|0,0,0]=2 206 B9R1.103 C1CNCCNCCN1 T162147 [1,0,0,1,0,0|0,0,0]=2 207 B11R1.17 CC1CCCCN1CCCN A117228 [0,1,0,1,0,0|2,0,0]=4 208 B11R1.28 C1CCC(CC1)NCCCN I137184 [0,1,0,1,0,0|2,0,0]=4 209 B11R2.20 C1CC2C(CCCN2)NC1 A175755 [0,0,0,2,0,0|2,0,0]=4 210 B11R2.20 C1CN2CCOCC2CN1 R589304 [0,0,0,2,0,0|2,0,0]=4