0 B9R1.6 CC(=O)C1=CNCCC1 Z238880918 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.6 CC(=O)C1CCCCN1 Z1954800414 [0,0,0,0,0,0|3,0,1]=4 2 B9R1.6 CC(=O)C1CCCOC1 Z1259153006 [0,0,0,0,0,0|2,0,2]=4 3 B9R1.6 CC(=O)N1CCCOC1 Z2143251901 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.6 CC(=O)[C@@H]1CCCCN1 Z1618016835 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 CC(=O)[C@H]1CCCCN1 Z2234185612 [0,0,0,0,0,0|3,0,1]=4 6 B9R1.6 CC(O)C1CCCNC1 Z431526982 [0,0,0,0,0,0|1,0,3]=4 7 B9R1.6 CC(O)C1CNCCO1 Z1203734763 [0,0,0,0,0,0|2,0,2]=4 8 B9R1.6 NC(=O)C1=CNCCC1 Z1201618199 [0,0,0,0,0,0|1,0,2]=3 9 B9R1.6 NC(=O)C1CCCCC1 Z33546516 [0,0,0,0,0,0|2,0,2]=4 10 B9R1.6 NC(=O)C1CCCCN1 Z90122010 [0,0,0,0,0,0|3,0,1]=4 11 B9R1.6 NC(=O)C1CCCNC1 Z85932258 [0,0,0,0,0,0|1,0,2]=3 12 B9R1.6 NC(=O)C1CNCCN1 Z203041340 [0,0,0,0,0,0|2,0,1]=3 13 B9R1.6 NC(=O)C1CNCCO1 Z854097660 [0,0,0,0,0,0|2,0,1]=3 14 B9R1.6 NC(=O)C1CSCCN1 Z1198160722 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.6 NC(=O)N1CCCCC1 Z56917364 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.6 NC(=O)[C@@H]1CNCCO1 Z2434225518 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.6 NC(=O)[C@H]1CNCCO1 Z2434225532 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.6 O=C(O)C1=CC=CC=C1 Z57127480 [0,0,0,0,0,0|1,0,3]=4 19 B9R1.6 O=C(O)C1=CC=NC=C1 Z104473016 [0,0,0,0,0,0|2,0,2]=4 20 B9R1.6 O=C(O)C1=CCCNC1 Z1198149389 [0,0,0,0,0,0|0,0,0]=0 21 B9R1.6 O=C(O)C1=CCCSC1 Z1172114103 [0,0,0,0,0,0|1,0,0]=1 22 B9R1.6 O=C(O)C1=CN=CC=C1 Z56755709 [0,0,0,0,0,0|0,0,4]=4 23 B9R1.6 O=C(O)C1=CN=CN=C1 Z336079948 [0,0,0,0,0,0|1,0,3]=4 24 B9R1.6 O=C(O)C1=CN=NC=C1 Z1182328443 [0,0,0,0,0,0|1,0,3]=4 25 B9R1.6 O=C(O)C1=COCCC1 Z1013753084 [0,0,0,0,0,0|2,0,0]=2 26 B9R1.6 O=C(O)C1=COCCO1 Z56757223 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.6 O=C(O)C1=NC=CC=C1 Z57968195 [0,0,0,0,0,0|2,0,2]=4 28 B9R1.6 O=C(O)C1=NC=CN=C1 Z104476002 [0,0,0,0,0,0|3,0,1]=4 29 B9R1.6 O=C(O)C1=NC=NC=C1 Z57064900 [0,0,0,0,0,0|3,0,1]=4 30 B9R1.6 O=C(O)C1=NN=CC=C1 Z1201621268 [0,0,0,0,0,0|1,0,3]=4 31 B9R1.6 O=C(O)C1C=CCCC1 Z57127330 [0,0,0,0,0,0|1,0,2]=3 32 B9R1.6 O=C(O)C1C=CCCN1 Z3668162534 [0,0,0,0,0,0|2,0,2]=4 33 B9R1.6 O=C(O)C1C=CCNC1 Z3488456277 [0,0,0,0,0,0|0,0,2]=2 34 B9R1.6 O=C(O)C1CC=CCC1 Z57921336 [0,0,0,0,0,0|1,0,3]=4 35 B9R1.6 O=C(O)C1CC=CCN1 Z3839411211 [0,0,0,0,0,0|2,0,2]=4 36 B9R1.6 O=C(O)C1CCCCC1 Z104475698 [0,0,0,0,0,0|1,0,2]=3 37 B9R1.6 O=C(O)C1CCCCN1 Z104479780 [0,0,0,0,0,0|2,0,1]=3 38 B9R1.6 O=C(O)C1CCCCO1 Z963633098 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.6 O=C(O)C1CCCNC1 Z324553206 [0,0,0,0,0,0|0,0,2]=2 40 B9R1.6 O=C(O)C1CCCOC1 Z445214062 [0,0,0,0,0,0|1,0,2]=3 41 B9R1.6 O=C(O)C1CCCSC1 Z1198485079 [0,0,0,0,0,0|1,0,2]=3 42 B9R1.6 O=C(O)C1CCCSS1 Z1262517456 [0,0,0,0,0,0|2,0,2]=4 43 B9R1.6 O=C(O)C1CCNCC1 Z104474390 [0,0,0,0,0,0|2,0,2]=4 44 B9R1.6 O=C(O)C1CCOCC1 Z85923421 [0,0,0,0,0,0|2,0,2]=4 45 B9R1.6 O=C(O)C1CCSCC1 Z826531634 [0,0,0,0,0,0|2,0,2]=4 46 B9R1.6 O=C(O)C1CCSCN1 Z1235963996 [0,0,0,0,0,0|3,0,1]=4 47 B9R1.6 O=C(O)C1CN=CNC1 Z2327883697 [0,0,0,0,0,0|1,0,3]=4 48 B9R1.6 O=C(O)C1CNCCN1 Z1273089259 [0,0,0,0,0,0|1,0,1]=2 49 B9R1.6 O=C(O)C1COCCN1 Z1255387606 [0,0,0,0,0,0|2,0,1]=3 50 B9R1.6 O=C(O)C1COCCO1 Z362763682 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.6 O=C(O)C1CSCCS1 Z147642878 [0,0,0,0,0,0|2,0,1]=3 52 B9R1.6 O=C(O)C1SCCCS1 Z275241266 [0,0,0,0,0,0|3,0,1]=4 53 B9R1.6 O=C(O)[C@@H]1CCCCN1 Z1033300646 [0,0,0,0,0,0|2,0,1]=3 54 B8R1.2 C=CC1CCCNC1 Z2740400893 [1,0,0,0,0,0|1,0,2]=4 55 B8R1.2 NCC1=CCCCC1 Z2230911155 [1,0,0,0,0,0|2,0,1]=4 56 B8R1.2 NCC1=CCCOC1 Z2096659348 [1,0,0,0,0,0|2,0,1]=4 57 B8R1.2 O=CC1=CCCCC1 Z1190318865 [1,0,0,0,0,0|1,0,0]=2 58 B8R1.2 O=CC1=CCCOC1 Z979787886 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.2 O=CC1=CCCSC1 Z1255380334 [1,0,0,0,0,0|1,0,0]=2 60 B8R1.2 O=CC1=CCOCC1 Z1511760351 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.2 O=CC1=COCCC1 Z432415080 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.2 O=CC1=COCCO1 Z1198154290 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.2 O=CC1CCCCC1 Z104478974 [1,0,0,0,0,0|1,0,2]=4 64 B8R1.2 O=CC1CCCCO1 Z1079442734 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.2 O=CC1CCCOC1 Z1065877672 [1,0,0,0,0,0|1,0,2]=4 66 B8R1.2 O=CC1CCCSC1 Z1255489365 [1,0,0,0,0,0|1,0,2]=4 67 B8R1.2 O=CN1CCCCC1 Z1255415437 [1,0,0,0,0,0|2,0,1]=4 68 B8R1.2 OCC1=CCNCC1 Z2310702179 [1,0,0,0,0,0|2,0,1]=4 69 B8R1.2 OCC1CCCNC1 Z104479614 [1,0,0,0,0,0|0,0,3]=4 70 B8R1.2 OCC1CNCCO1 Z1235945999 [1,0,0,0,0,0|1,0,2]=4 71 B8R1.2 ON=C1CCCCC1 Z49568468 [1,0,0,0,0,0|2,0,1]=4 72 B10R1.13 CC1CCC(CN1)C(=O)N Z300072132 [0,1,0,0,0,0|1,0,2]=4 73 B10R1.13 CC1CCC(CN1)C(=O)O Z3211705986 [0,1,0,0,0,0|0,0,2]=3 74 B10R1.13 CC1CCC(NC1)C(=O)O Z3291973014 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)N Z3302651128 [0,1,0,0,0,0|1,0,2]=4 76 B10R1.13 C[C@@H]1CC[C@@H](CN1)C(=O)O Z3064248894 [0,1,0,0,0,0|0,0,2]=3 77 B10R1.13 C[C@@H]1CC[C@H](NC1)C(=O)O Z3356150537 [0,1,0,0,0,0|2,0,1]=4 78 B10R1.13 C[C@@H]1CN[C@@H](CO1)C(=O)O Z2311241423 [0,1,0,0,0,0|2,0,1]=4 79 B10R1.13 C[C@@H]1CN[C@H](CO1)C(=O)O Z2311241416 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)O Z1205493659 [0,1,0,0,0,0|1,0,2]=4 81 B10R1.13 O=C(O)C1CCC(CC1)O Z336079608 [0,1,0,0,0,0|1,0,2]=4 82 B10R1.13 O=C(O)C1CCC(CN1)O Z1198181269 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.13 O=C(O)[C@@H]1CC[C@H](CN1)F Z3600401699 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.13 O=C1C=CC(=NN1)C(=O)O Z56878668 [0,1,0,0,0,0|1,0,2]=4 85 B10R1.13 O=C1CCC(=NN1)C(=O)O Z56871458 [0,1,0,0,0,0|1,0,2]=4 86 B10R1.13 O=C1CCC(CN1)C(=O)O Z317054072 [0,1,0,0,0,0|0,0,3]=4 87 B10R1.13 O=C1CNC(CN1)C(=O)O Z1198278656 [0,1,0,0,0,0|1,0,2]=4 88 B10R1.15 CNC(=O)C1CCCNC1 Z1266933838 [0,1,0,0,0,0|1,0,2]=4 89 B10R1.15 CNC(=O)C1CNCCO1 Z854097264 [0,1,0,0,0,0|2,0,1]=4 90 B10R1.15 CNC(=O)[C@@H]1CNCCO1 Z5781505534 [0,1,0,0,0,0|2,0,1]=4 91 B10R1.15 COC(=O)C1CCCCS1 Z1413799531 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.15 COC(=O)C1CNCCO1 Z1359429564 [0,1,0,0,0,0|1,0,1]=3 93 B10R1.15 COC(=O)C1COCCN1 Z1318356904 [0,1,0,0,0,0|2,0,1]=4 94 B10R1.15 OC/C(=C\1/CCCNC1)/F Z1898593028 [0,1,0,0,0,0|1,0,1]=3 95 B10R1.28 O=P(O)(O)C1=CCNCC1 Z2503737603 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.28 O=S(=O)(O)C1CCCNC1 Z1255420883 [0,1,0,0,0,0|1,0,2]=4 97 B10R1.61 CC1=C(CCCO1)C(=O)O Z1205494283 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.61 CC1=C(SCCO1)C(=O)O Z992759280 [0,1,0,0,0,0|2,0,1]=4 99 B10R1.61 CC1NCCCC1C(=O)O Z1255463358 [0,1,0,0,0,0|0,0,2]=3 100 B10R1.61 CN1CCCCC1C(=O)O Z1259339901 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.61 CN1CCCC[C@@H]1C(=O)O Z1205493960 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.61 CN1CCCC[C@H]1C(=O)O Z1205494199 [0,1,0,0,0,0|2,0,1]=4 103 B10R1.61 CN1CCNCC1C(=O)O Z2679906813 [0,1,0,0,0,0|1,0,1]=3 104 B10R1.61 C[C@@H]1CCCN[C@@H]1C(=O)O Z2309898847 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.61 C[C@@H]1CCNC[C@@H]1C(=O)O Z3247787190 [0,1,0,0,0,0|0,0,2]=3 106 B10R1.61 C[C@@H]1NCCN[C@@H]1C(=O)O Z4444621005 [0,1,0,0,0,0|1,0,1]=3 107 B10R1.61 C[C@H]1OCCN[C@@H]1C(=O)O Z1913661250 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.61 NC1=C(CCCN1)C(=O)O Z2467523232 [0,1,0,0,0,0|0,0,2]=3 109 B10R1.61 NC1CCCCC1C(=O)O Z1374884261 [0,1,0,0,0,0|1,0,2]=4 110 B10R1.61 N[C@@H]1CCCC[C@@H]1C(=O)O Z2306832317 [0,1,0,0,0,0|1,0,2]=4 111 B10R1.61 O=C(O)C1=C(CCCC1)Cl Z198749560 [0,1,0,0,0,0|1,0,0]=2 112 B10R1.61 O=C(O)C1=C(CNCC1)F Z3675523883 [0,1,0,0,0,0|2,0,0]=3 113 B10R1.61 O=C(O)C1=CC=CNC1=O Z57012260 [0,1,0,0,0,0|0,0,3]=4 114 B10R1.61 O=C(O)C1=CC=NNC1=O Z1198168921 [0,1,0,0,0,0|1,0,2]=4 115 B10R1.61 O=C(O)C1=CNC=CC1=O Z1869802012 [0,1,0,0,0,0|0,0,3]=4 116 B10R1.61 O=C(O)C1=CNC=NC1=O Z1350606493 [0,1,0,0,0,0|1,0,2]=4 117 B10R1.61 O=C(O)C1=CNN=CC1=O Z2510259337 [0,1,0,0,0,0|1,0,2]=4 118 B10R1.61 O=C(O)C1=NNC=CC1=O Z1205496521 [0,1,0,0,0,0|1,0,2]=4 119 B10R1.61 O=C(O)C1CCCCC1O Z1080722428 [0,1,0,0,0,0|1,0,2]=4 120 B10R1.61 O=C(O)[C@@H]1CCCC[C@H]1O Z3326512742 [0,1,0,0,0,0|1,0,2]=4 121 B10R1.61 O=C1CCCCC1=C(Cl)Cl Z1513601725 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.113 CC(=O)C1CCCN(C1)C Z413815762 [0,1,0,0,0,0|1,0,2]=4 123 B10R1.113 CC(=O)[C@H]1CNC[C@H](C1)C Z5212943153 [0,1,0,0,0,0|1,0,2]=4 124 B10R1.113 CC1CCCC(C1)C(=O)O Z792377174 [0,1,0,0,0,0|1,0,2]=4 125 B10R1.113 CC1CCCC(O1)C(=O)O Z1205497461 [0,1,0,0,0,0|2,0,1]=4 126 B10R1.113 CC1CCNC(C1)C(=O)O Z1278581703 [0,1,0,0,0,0|2,0,1]=4 127 B10R1.113 CC1CNCC(C1)C(=O)N Z3268397570 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.113 CC1COCC(N1)C(=O)O Z1723418910 [0,1,0,0,0,0|2,0,1]=4 129 B10R1.113 CN1CCCC(C1)C(=O)O Z752370754 [0,1,0,0,0,0|0,0,2]=3 130 B10R1.113 CN1CCOC(C1)C(=O)O Z1269638422 [0,1,0,0,0,0|1,0,1]=3 131 B10R1.113 C[C@@H]1CCC[C@@H](N1)C(=O)O Z2471603588 [0,1,0,0,0,0|2,0,1]=4 132 B10R1.113 C[C@@H]1CNCC(O1)C(=O)N Z1413022387 [0,1,0,0,0,0|2,0,1]=4 133 B10R1.113 C[C@@H]1CNC[C@@H](C1)C(=O)O Z3021480604 [0,1,0,0,0,0|0,0,2]=3 134 B10R1.113 NC1CCCC(C1)C(=O)O Z979485684 [0,1,0,0,0,0|1,0,2]=4 135 B10R1.113 N[C@@H]1CCC[C@H](C1)C(=O)O Z2309783249 [0,1,0,0,0,0|1,0,2]=4 136 B10R1.113 O=C(O)C1CCCC(C1)F Z2066862889 [0,1,0,0,0,0|1,0,2]=4 137 B10R1.113 O=C(O)C1CCCC(C1)O Z1205494896 [0,1,0,0,0,0|1,0,2]=4 138 B10R1.363 CC1(C=CCCC1)C(=O)O Z1205494611 [0,1,0,0,0,0|1,0,2]=4 139 B10R1.363 CC1(CCCCC1)C(=O)O Z995180964 [0,1,0,0,0,0|1,0,2]=4 140 B10R1.363 CC1(CCCCN1)C(=O)O Z1623864156 [0,1,0,0,0,0|2,0,1]=4 141 B10R1.363 CC1(CCCCO1)C(=O)O Z1198235237 [0,1,0,0,0,0|2,0,1]=4 142 B10R1.363 CC1(CCCNC1)C(=O)O Z1262691675 [0,1,0,0,0,0|0,0,2]=3 143 B10R1.363 CC1(CCCOC1)C(=O)O Z1079130408 [0,1,0,0,0,0|1,0,2]=4 144 B10R1.363 CC1(CNCCN1)C(=O)O Z5392656375 [0,1,0,0,0,0|1,0,1]=3 145 B10R1.363 NC(=O)C1(CCCNC1)N Z3172933410 [0,1,0,0,0,0|1,0,2]=4 146 B10R1.363 NC(=O)C1(CCCNC1)O Z2096087370 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.363 NC1(CCCNC1)C(=O)O Z2509346558 [0,1,0,0,0,0|0,0,2]=3 148 B10R1.363 NC1(CCCOC1)C(=O)O Z3719007739 [0,1,0,0,0,0|1,0,2]=4 149 B10R1.363 NC1(CCCSC1)C(=O)O Z1029463938 [0,1,0,0,0,0|1,0,2]=4 150 B10R1.363 O=C(O)C1(CCCCC1)O Z220542624 [0,1,0,0,0,0|1,0,2]=4 151 B10R1.363 O=C(O)C1(CCCNC1)O Z2738500676 [0,1,0,0,0,0|0,0,2]=3 152 B10R1.363 O=C(O)C1(CCCOC1)F Z3243070298 [0,1,0,0,0,0|1,0,2]=4 153 B8R0.7 C=CCNCCC(=O)O Z3388124649 [0,0,1,0,0,0|0,0,2]=3 154 B8R0.7 CCCCCCC(=O)O Z104474412 [0,0,1,0,0,0|1,0,2]=4 155 B8R0.7 CCCCOCC(=O)O Z409190912 [0,0,1,0,0,0|2,0,1]=4 156 B8R0.7 CCCCSCC(=O)O Z239951532 [0,0,1,0,0,0|2,0,1]=4 157 B8R0.7 CCCNCCC(=O)O Z2944330072 [0,0,1,0,0,0|0,0,2]=3 158 B8R0.7 CNCCCCC(=O)O Z3034937142 [0,0,1,0,0,0|0,0,2]=3 159 B8R0.7 CNCCCNC(=O)C Z1269638441 [0,0,1,0,0,0|2,0,1]=4 160 B8R0.7 COCCCCC(=O)O Z362633826 [0,0,1,0,0,0|1,0,2]=4 161 B8R0.7 COCCNCC(=O)O Z1276446903 [0,0,1,0,0,0|2,0,1]=4 162 B8R0.7 COCCOCC(=O)O Z104477918 [0,0,1,0,0,0|2,0,1]=4 163 B8R0.7 COCCSCC(=O)O Z167837764 [0,0,1,0,0,0|2,0,1]=4 164 B8R0.7 CSCCCCC(=O)O Z732206636 [0,0,1,0,0,0|1,0,2]=4 165 B8R0.7 CSCCNCC(=O)O Z2512524162 [0,0,1,0,0,0|2,0,1]=4 166 B8R0.7 NCCCCCC(=O)O Z1272730910 [0,0,1,0,0,0|2,0,1]=4 167 B8R0.7 NCCOCCC(=O)O Z1262546494 [0,0,1,0,0,0|2,0,1]=4 168 B8R0.7 O=C(O)CCCCCBr Z104477716 [0,0,1,0,0,0|2,0,1]=4 169 B8R0.7 O=C(O)CCCCCF Z1205494157 [0,0,1,0,0,0|2,0,1]=4 170 B8R0.7 O=C(O)CCNCCO Z53116574 [0,0,1,0,0,0|1,0,1]=3 171 B8R0.8 CC(=O)N(C)CCCN Z319974634 [0,0,1,0,0,0|2,0,1]=4 172 B8R0.8 CCCCC(C)C(=O)O Z756390480 [0,0,1,0,0,0|1,0,2]=4 173 B8R0.8 CCCCC(N)C(=O)O Z57127434 [0,0,1,0,0,0|2,0,1]=4 174 B8R0.8 CCCCC(O)C(=O)O Z803065156 [0,0,1,0,0,0|2,0,1]=4 175 B8R0.8 CCCC[C@@H](N)C(=O)O Z1203578064 [0,0,1,0,0,0|2,0,1]=4 176 B8R0.8 CCCC[C@H](N)C(=O)O Z1203162297 [0,0,1,0,0,0|2,0,1]=4 177 B8R0.8 CCOCC(C)C(=O)O Z431541098 [0,0,1,0,0,0|1,0,2]=4 178 B8R0.8 CCOC[C@@H](N)C(=O)O Z2418414224 [0,0,1,0,0,0|2,0,1]=4 179 B8R0.8 NCCCC(N)C(=O)O Z104476736 [0,0,1,0,0,0|1,0,2]=4 180 B8R0.8 NCCC[C@@H](N)C(=O)O Z1276446907 [0,0,1,0,0,0|1,0,2]=4 181 B8R0.8 NCCC[C@H](N)C(=O)O Z991547388 [0,0,1,0,0,0|1,0,2]=4 182 B8R0.15 CCCC(CC)C(=O)O Z756391368 [0,0,1,0,0,0|1,0,2]=4 183 B8R0.15 CCCC(CN)C(=O)O Z970060188 [0,0,1,0,0,0|0,0,2]=3 184 B8R0.15 CCCC(OC)C(=O)O Z1201627136 [0,0,1,0,0,0|2,0,1]=4 185 B8R0.15 CCNC(CC)C(=O)O Z3271143096 [0,0,1,0,0,0|2,0,1]=4 186 B8R0.15 CCNC(CO)C(=O)O Z4780865118 [0,0,1,0,0,0|2,0,1]=4 187 B8R0.15 CCOC(CC)C(=O)O Z449367060 [0,0,1,0,0,0|2,0,1]=4 188 B8R0.15 CNC(COC)C(=O)O Z1250132318 [0,0,1,0,0,0|2,0,1]=4 189 B10R2.61 O=C1NC2CNCC1C2 Z2696515575 [0,0,0,1,0,0|1,0,2]=4 190 B10R2.61 O=C1OC2CCNC1C2 Z5219768392 [0,0,0,1,0,0|2,0,1]=4 191 B10R2.344 O=C(O)C12CNCC1C2 Z600584248 [0,0,0,1,0,0|0,0,2]=3 192 B10R2.344 O=C(O)[C@@]12CNC[C@@H]1C2 Z2568674577 [0,0,0,1,0,0|0,0,2]=3 193 B10R2.344 O=C(O)[C@@]12COC[C@@H]1C2 Z2432382009 [0,0,0,1,0,0|1,0,2]=4 194 B10R2.344 O=C(O)[C@]12C[C@H]1CCN2 Z414834462 [0,0,0,1,0,0|2,0,1]=4 195 B10R2.351 O=C(O)C1C2C1CCC2 Z235263813 [0,0,0,1,0,0|1,0,2]=4 196 B10R2.355 O=C(O)[C@@H]1NC[C@H]2[C@@H]1C2 Z3182359549 [0,0,0,1,0,0|2,0,1]=4 197 B10R2.357 O=C(O)[C@@H]1C[C@H]2C[C@H]2N1 Z440824358 [0,0,0,1,0,0|2,0,1]=4 198 B8R1.7 CC(=O)C1=CC=CN1 Z56899162 [0,0,0,0,1,0|1,0,2]=4 199 B8R1.7 CC(=O)C1=CNC=C1 Z1154253452 [0,0,0,0,1,0|1,0,2]=4 200 B8R1.7 CC(=O)C1=CNN=C1 Z1966569327 [0,0,0,0,1,0|2,0,1]=4 201 B8R1.7 CC(=O)C1=NNC=C1 Z1201023059 [0,0,0,0,1,0|2,0,1]=4 202 B8R1.7 CC(=O)C1CCCC1 Z513735352 [0,0,0,0,1,0|1,0,2]=4 203 B8R1.7 CC(=O)C1CCNC1 Z3011567326 [0,0,0,0,1,0|1,0,1]=3 204 B8R1.7 CC(=O)C1CCOC1 Z1138843358 [0,0,0,0,1,0|2,0,1]=4 205 B8R1.7 CC(O)C1CCNC1 Z1198184307 [0,0,0,0,1,0|1,0,2]=4 206 B8R1.7 N=C(N)C1CCNC1 Z2865416914 [0,0,0,0,1,0|2,0,1]=4 207 B8R1.7 NC(=O)C1=CC=CN1 Z135897752 [0,0,0,0,1,0|1,0,2]=4 208 B8R1.7 NC(=O)C1=CC=NN1 Z1095213382 [0,0,0,0,1,0|2,0,1]=4 209 B8R1.7 NC(=O)C1=CNC=C1 Z1167406084 [0,0,0,0,1,0|1,0,2]=4 210 B8R1.7 NC(=O)C1=CNN=C1 Z431978758 [0,0,0,0,1,0|2,0,1]=4 211 B8R1.7 NC(=O)C1CCCC1 Z33546657 [0,0,0,0,1,0|1,0,2]=4 212 B8R1.7 NC(=O)C1CCCN1 Z56945990 [0,0,0,0,1,0|1,0,2]=4 213 B8R1.7 NC(=O)C1CCCO1 Z33545380 [0,0,0,0,1,0|2,0,1]=4 214 B8R1.7 NC(=O)C1CCNC1 Z1198394223 [0,0,0,0,1,0|1,0,1]=3 215 B8R1.7 NC(=O)C1CCOC1 Z802555342 [0,0,0,0,1,0|2,0,1]=4 216 B8R1.7 NC(=O)N1CCCC1 Z56907605 [0,0,0,0,1,0|2,0,1]=4 217 B8R1.7 O=C(O)C1=CC=CN1 Z94599900 [0,0,0,0,1,0|0,0,2]=3 218 B8R1.7 O=C(O)C1=CC=CO1 Z104473462 [0,0,0,0,1,0|1,0,2]=4 219 B8R1.7 O=C(O)C1=CC=NO1 Z56943419 [0,0,0,0,1,0|1,0,2]=4 220 B8R1.7 O=C(O)C1=CC=NS1 Z1079264356 [0,0,0,0,1,0|1,0,2]=4 221 B8R1.7 O=C(O)C1=CCCC1 Z1205493596 [0,0,0,0,1,0|0,0,0]=1 222 B8R1.7 O=C(O)C1=CCCS1 Z1205451212 [0,0,0,0,1,0|1,0,0]=2 223 B8R1.7 O=C(O)C1=CN=CN1 Z993967082 [0,0,0,0,1,0|1,0,1]=3 224 B8R1.7 O=C(O)C1=CN=CO1 Z204020264 [0,0,0,0,1,0|2,0,1]=4 225 B8R1.7 O=C(O)C1=CN=CS1 Z204146918 [0,0,0,0,1,0|2,0,1]=4 226 B8R1.7 O=C(O)C1=CN=NS1 Z425800944 [0,0,0,0,1,0|2,0,1]=4 227 B8R1.7 O=C(O)C1=CNC=C1 Z1154253207 [0,0,0,0,1,0|0,0,2]=3 228 B8R1.7 O=C(O)C1=CNN=C1 Z275128380 [0,0,0,0,1,0|1,0,1]=3 229 B8R1.7 O=C(O)C1=CNN=N1 Z1814381620 [0,0,0,0,1,0|2,0,1]=4 230 B8R1.7 O=C(O)C1=COC=C1 Z164706016 [0,0,0,0,1,0|1,0,2]=4 231 B8R1.7 O=C(O)C1=COC=N1 Z1095349994 [0,0,0,0,1,0|1,0,2]=4 232 B8R1.7 O=C(O)C1=COCC1 Z1013753090 [0,0,0,0,1,0|1,0,0]=2 233 B8R1.7 O=C(O)C1=CSC=C1 Z147647094 [0,0,0,0,1,0|1,0,2]=4 234 B8R1.7 O=C(O)C1=CSC=N1 Z800222638 [0,0,0,0,1,0|1,0,2]=4 235 B8R1.7 O=C(O)C1=CSN=C1 Z1198181914 [0,0,0,0,1,0|1,0,2]=4 236 B8R1.7 O=C(O)C1=CSN=N1 Z178960862 [0,0,0,0,1,0|2,0,1]=4 237 B8R1.7 O=C(O)C1=NNC=C1 Z381357668 [0,0,0,0,1,0|1,0,1]=3 238 B8R1.7 O=C(O)C1=NOC=C1 Z147642256 [0,0,0,0,1,0|1,0,2]=4 239 B8R1.7 O=C(O)C1=NOCC1 Z1205494291 [0,0,0,0,1,0|2,0,0]=3 240 B8R1.7 O=C(O)C1=NON=C1 Z1201620383 [0,0,0,0,1,0|2,0,1]=4 241 B8R1.7 O=C(O)C1=NSC=C1 Z1198233153 [0,0,0,0,1,0|1,0,2]=4 242 B8R1.7 O=C(O)C1=NSN=C1 Z425800962 [0,0,0,0,1,0|2,0,1]=4 243 B8R1.7 O=C(O)C1C=CCN1 Z2902023058 [0,0,0,0,1,0|0,0,2]=3 244 B8R1.7 O=C(O)C1CC=CC1 Z1205493626 [0,0,0,0,1,0|1,0,2]=4 245 B8R1.7 O=C(O)C1CCCC1 Z104476116 [0,0,0,0,1,0|0,0,2]=3 246 B8R1.7 O=C(O)C1CCCN1 Z104476886 [0,0,0,0,1,0|0,0,2]=3 247 B8R1.7 O=C(O)C1CCCO1 Z104486102 [0,0,0,0,1,0|1,0,1]=3 248 B8R1.7 O=C(O)C1CCCS1 Z1198330300 [0,0,0,0,1,0|1,0,1]=3 249 B8R1.7 O=C(O)C1CCNC1 Z1741969245 [0,0,0,0,1,0|0,0,1]=2 250 B8R1.7 O=C(O)C1CCNO1 Z3182027847 [0,0,0,0,1,0|1,0,1]=3 251 B8R1.7 O=C(O)C1CCOC1 Z381356480 [0,0,0,0,1,0|1,0,1]=3 252 B8R1.7 O=C(O)C1CCSC1 Z1187898499 [0,0,0,0,1,0|1,0,1]=3 253 B8R1.7 O=C(O)C1CSCN1 Z104495996 [0,0,0,0,1,0|1,0,2]=4 254 B8R1.7 O=C(O)C1NCCS1 Z1203162153 [0,0,0,0,1,0|1,0,1]=3 255 B8R1.7 O=C(O)C1OCCO1 Z1198167310 [0,0,0,0,1,0|2,0,1]=4 256 B8R1.7 O=C(O)C1SCCS1 Z1255500889 [0,0,0,0,1,0|2,0,1]=4 257 B8R1.7 O=C(O)[C@@H]1CCCN1 Z756429958 [0,0,0,0,1,0|0,0,2]=3 258 B8R1.7 O=C(O)[C@@H]1CSCN1 Z756440072 [0,0,0,0,1,0|1,0,2]=4 259 B8R1.7 O=C(O)[C@H]1CCCN1 Z933632584 [0,0,0,0,1,0|0,0,2]=3 260 B8R1.7 O=C(O)[C@H]1CSCN1 Z945807988 [0,0,0,0,1,0|1,0,2]=4 261 B8R1.7 OB(O)C1=CCCC1 Z1201621640 [0,0,0,0,1,0|1,0,1]=3 262 B10R1.18 CC(=O)NC1CCCNC1 Z285140960 [0,0,0,0,0,1|1,0,2]=4 263 B10R1.18 CC(=O)OC1=CCCCC1 Z426041318 [0,0,0,0,0,1|2,0,0]=3 264 B10R1.18 NC(=O)CC1CCCNC1 Z1318268688 [0,0,0,0,0,1|1,0,2]=4 265 B10R1.18 NC(=O)CC1CNCCO1 Z1274804035 [0,0,0,0,0,1|2,0,1]=4 266 B10R1.18 NC(=O)NC1CCCNC1 Z1259341125 [0,0,0,0,0,1|1,0,2]=4 267 B10R1.18 O=C(O)C=C1CCCCC1 Z352748084 [0,0,0,0,0,1|1,0,1]=3 268 B10R1.18 O=C(O)C=C1CCOCC1 Z440605394 [0,0,0,0,0,1|2,0,1]=4 269 B10R1.18 O=C(O)C=C1CCSCC1 Z1262528560 [0,0,0,0,0,1|2,0,1]=4 270 B10R1.18 O=C(O)CC1=CCCCC1 Z1138835936 [0,0,0,0,0,1|1,0,0]=2 271 B10R1.18 O=C(O)CC1=CCOCC1 Z1205495477 [0,0,0,0,0,1|2,0,0]=3 272 B10R1.18 O=C(O)CC1C=CCCC1 Z1198264430 [0,0,0,0,0,1|1,0,2]=4 273 B10R1.18 O=C(O)CC1CCCCC1 Z104486044 [0,0,0,0,0,1|1,0,2]=4 274 B10R1.18 O=C(O)CC1CCCCN1 Z3234954063 [0,0,0,0,0,1|2,0,1]=4 275 B10R1.18 O=C(O)CC1CCCCO1 Z432421618 [0,0,0,0,0,1|2,0,1]=4 276 B10R1.18 O=C(O)CC1CCCNC1 Z1272743958 [0,0,0,0,0,1|0,0,2]=3 277 B10R1.18 O=C(O)CC1CCCOC1 Z445215100 [0,0,0,0,0,1|1,0,2]=4 278 B10R1.18 O=C(O)CC1CNCCO1 Z3241262582 [0,0,0,0,0,1|1,0,1]=3 279 B10R1.18 O=C(O)CC1COCCN1 Z1741981133 [0,0,0,0,0,1|2,0,1]=4 280 B10R1.18 O=C(O)CC1CSCCS1 Z1492186731 [0,0,0,0,0,1|2,0,1]=4 281 B10R1.18 O=C(O)CN1CCCCC1 Z1171978832 [0,0,0,0,0,1|2,0,1]=4 282 B10R1.348 CC(=O)N1CCCNCC1 Z166645986 [0,0,0,0,0,1|2,0,1]=4 283 B10R1.348 O=C(O)C1CCCCCN1 Z1250132361 [0,0,0,0,0,1|1,0,2]=4 284 B10R1.348 O=C(O)C1CCCCNC1 Z2310702448 [0,0,0,0,0,1|0,0,2]=3 285 B10R1.348 O=C(O)C1CCCOCC1 Z1258684735 [0,0,0,0,0,1|1,0,2]=4 286 B10R1.348 O=C(O)C1CNCCCN1 Z2044769174 [0,0,0,0,0,1|0,0,2]=3 287 B7R0.4 C#CCNCC(=O)O Z2513337624 [1,0,1,0,0,0|0,0,2]=4 288 B7R0.4 C/C=C/C=C/C(=O)O Z57127888 [1,0,1,0,0,0|0,0,2]=4 289 B7R0.4 C=CCCCC(=O)O Z1205493561 [1,0,1,0,0,0|0,0,2]=4 290 B7R0.4 C=CCNCC(=O)O Z803145546 [1,0,1,0,0,0|0,0,1]=3 291 B7R0.4 C=CCOCC(=O)O Z362807794 [1,0,1,0,0,0|1,0,1]=4 292 B7R0.4 C=CCSCC(=O)O Z149151274 [1,0,1,0,0,0|1,0,1]=4 293 B7R0.4 CCC/C=C/C(=O)O Z104506794 [1,0,1,0,0,0|0,0,0]=2 294 B7R0.4 CCCCCC(=O)O Z104503532 [1,0,1,0,0,0|0,0,2]=4 295 B7R0.4 CCCNCC(=O)N Z2211231296 [1,0,1,0,0,0|1,0,1]=4 296 B7R0.4 CCCNCC(=O)O Z744582718 [1,0,1,0,0,0|0,0,1]=3 297 B7R0.4 CCCOCC(=O)O Z406677750 [1,0,1,0,0,0|1,0,1]=4 298 B7R0.4 CCCSCC(=O)O Z228425458 [1,0,1,0,0,0|1,0,1]=4 299 B7R0.4 CCNCCC(=O)N Z2681234913 [1,0,1,0,0,0|1,0,1]=4 300 B7R0.4 CCNCCC(=O)O Z1869802098 [1,0,1,0,0,0|0,0,1]=3 301 B7R0.4 CCOCCC(=O)O Z316258938 [1,0,1,0,0,0|1,0,1]=4 302 B7R0.4 CCSCCC(=O)O Z197206046 [1,0,1,0,0,0|1,0,1]=4 303 B7R0.4 CNCCCC(=O)O Z57043473 [1,0,1,0,0,0|0,0,1]=3 304 B7R0.4 CNCCNC(=O)C Z1456777974 [1,0,1,0,0,0|2,0,0]=4 305 B7R0.4 COCCCC(=O)O Z316258912 [1,0,1,0,0,0|1,0,1]=4 306 B7R0.4 CSCCCC(=O)O Z54602911 [1,0,1,0,0,0|1,0,1]=4 307 B7R0.4 NCCCCC(=O)O Z271111992 [1,0,1,0,0,0|0,0,2]=4 308 B7R0.4 NCCNCC(=O)O Z2692249907 [1,0,1,0,0,0|1,0,0]=3 309 B7R0.4 NCCOCC(=O)O Z1650039500 [1,0,1,0,0,0|1,0,1]=4 310 B7R0.4 NCCSCC(=O)O Z1381287295 [1,0,1,0,0,0|1,0,1]=4 311 B7R0.4 O=C(O)CCCCBr Z104479696 [1,0,1,0,0,0|1,0,1]=4 312 B7R0.4 O=C(O)CCCCS Z808230828 [1,0,1,0,0,0|1,0,1]=4 313 B7R0.4 O=C(O)CNCCO Z425411352 [1,0,1,0,0,0|1,0,0]=3 314 B7R0.5 CC(CCN)C(=O)O Z2298167292 [1,0,1,0,0,0|0,0,1]=3 315 B7R0.5 CCCC(C)C(=O)O Z104477112 [1,0,1,0,0,0|0,0,2]=4 316 B7R0.5 CCCC(N)C(=O)O Z317024724 [1,0,1,0,0,0|0,0,2]=4 317 B7R0.5 CCC[C@@H](N)C(=O)O Z763365012 [1,0,1,0,0,0|0,0,2]=4 318 B7R0.5 CCC[C@H](N)C(=O)O Z1033300662 [1,0,1,0,0,0|0,0,2]=4 319 B7R0.5 CCNC(C)C(=O)O Z3181996310 [1,0,1,0,0,0|0,0,2]=4 320 B7R0.5 CCOC(C)C(=O)O Z316258934 [1,0,1,0,0,0|1,0,1]=4 321 B7R0.5 CNCC(C)C(=O)O Z1270387301 [1,0,1,0,0,0|0,0,1]=3 322 B7R0.5 COCC(C)C(=O)O Z431541094 [1,0,1,0,0,0|1,0,1]=4 323 B7R0.5 CSCC(C)C(=O)O Z732206684 [1,0,1,0,0,0|1,0,1]=4 324 B7R0.5 NCCC(F)C(=O)O Z3235903750 [1,0,1,0,0,0|1,0,1]=4 325 B7R0.5 NCC[C@H](N)C(=O)O Z1741978716 [1,0,1,0,0,0|1,0,1]=4 326 B7R0.5 NCC[C@H](O)C(=O)O Z1203578154 [1,0,1,0,0,0|1,0,1]=4 327 B7R0.15 CCC(NC)C(=O)O Z818727142 [1,0,1,0,0,0|0,0,2]=4 328 B7R0.15 CCC(OC)C(=O)O Z449367058 [1,0,1,0,0,0|1,0,1]=4 329 B7R0.15 CCC(SC)C(=O)O Z732206700 [1,0,1,0,0,0|1,0,1]=4 330 B7R0.15 CNC(CN)C(=O)O Z1982493964 [1,0,1,0,0,0|1,0,1]=4 331 B7R0.15 COC(CN)C(=O)O Z1603778808 [1,0,1,0,0,0|1,0,1]=4 332 B7R0.15 NCC(CN)C(=O)O Z5183354524 [1,0,1,0,0,0|1,0,1]=4 333 B7R1.3 CC1=CCCNC1 Z2143573194 [2,0,0,0,0,0|0,0,1]=3 334 B7R1.3 FC1=CCCNC1 Z1570657372 [2,0,0,0,0,0|1,0,0]=3 335 B7R1.3 O=C1C=CCCC1 Z295197140 [2,0,0,0,0,0|1,0,1]=4 336 B7R1.3 O=C1CCCCC1 Z104474256 [2,0,0,0,0,0|1,0,1]=4 337 B7R1.3 O=C1CCCCN1 Z168817684 [2,0,0,0,0,0|2,0,0]=4 338 B7R1.3 O=C1CCCCO1 Z432085120 [2,0,0,0,0,0|2,0,0]=4 339 B7R1.3 O=C1CCCCS1 Z1726147018 [2,0,0,0,0,0|2,0,0]=4 340 B7R1.3 O=C1CCCNC1 Z3063726909 [2,0,0,0,0,0|0,0,1]=3 341 B7R1.3 O=C1CCCNN1 Z1416174508 [2,0,0,0,0,0|1,0,1]=4 342 B7R1.3 O=C1CCCSC1 Z979714552 [2,0,0,0,0,0|1,0,1]=4 343 B7R1.3 O=C1CNCCN1 Z56968535 [2,0,0,0,0,0|1,0,0]=3 344 B7R1.3 O=C1CSCCN1 Z337709368 [2,0,0,0,0,0|2,0,0]=4 345 B7R1.3 O=C1NNCCO1 Z2732442016 [2,0,0,0,0,0|2,0,0]=4 346 B7R1.3 OC1CNCCO1 Z1428160315 [2,0,0,0,0,0|1,0,1]=4 347 B9R0.2 CCNCCCCC(=O)O Z2893830564 [0,1,1,0,0,0|0,0,2]=4 348 B9R0.2 COCCNCCC(=O)O Z53116030 [0,1,1,0,0,0|0,0,2]=4 349 B9R0.2 O=C(O)CCNCCCO Z53116999 [0,1,1,0,0,0|0,0,2]=4 350 B9R0.4 CC(CC(=O)O)NCCO Z431539096 [0,1,1,0,0,0|1,0,1]=4 351 B9R0.47 COCCNC(=O)C(=O)O Z424779030 [0,1,1,0,0,0|2,0,0]=4 352 B9R0.48 CCCN(C)CCC(=O)O Z1259273124 [0,1,1,0,0,0|0,0,2]=4 353 B9R0.48 CN(CCO)CCC(=O)O Z53116523 [0,1,1,0,0,0|1,0,1]=4 354 B9R0.55 CC(C)CNCCC(=O)O Z594038396 [0,1,1,0,0,0|0,0,2]=4 355 B9R0.55 CN(C)CCCCC(=O)O Z1259273153 [0,1,1,0,0,0|0,0,2]=4 356 B9R0.7 C=C(CCN(C)C)C(=O)O Z2582507950 [0,1,1,0,0,0|2,0,0]=4 357 B9R0.8 CCNCC(C)C(=O)OC Z431542702 [0,1,1,0,0,0|0,0,2]=4 358 B9R0.13 CCC/C=C(/C#N)\C(=O)O Z1814381743 [0,1,1,0,0,0|1,0,1]=4 359 B9R0.42 C=C(CC(=O)OC)C(=O)O Z1201617378 [0,1,1,0,0,0|2,0,0]=4 360 B9R0.51 CC(C)(CCCN)C(=O)O Z1516115695 [0,1,1,0,0,0|0,0,2]=4 361 B9R0.39 CC(C)CC(CN)C(=O)O Z1948934651 [0,1,1,0,0,0|0,0,2]=4 362 B9R1.8 O=CC=C1CCCCC1 Z1251356876 [1,1,0,0,0,0|1,0,1]=4 363 B9R1.11 CNC(=O)C1=CCCC1 Z1203734370 [0,1,0,0,1,0|1,0,0]=3 364 B9R1.11 CNC(=O)C1CCNC1 Z1078592234 [0,1,0,0,1,0|1,0,1]=4 365 B9R1.11 COC(=O)C1=CC=CN1 Z98449444 [0,1,0,0,1,0|0,0,2]=4 366 B9R1.11 COC(=O)C1=CN=CN1 Z1250100745 [0,1,0,0,1,0|1,0,1]=4 367 B9R1.11 COC(=O)C1=CNC=C1 Z1203730919 [0,1,0,0,1,0|0,0,2]=4 368 B9R1.11 COC(=O)C1=CNN=C1 Z2235790709 [0,1,0,0,1,0|1,0,1]=4 369 B9R1.11 COC(=O)C1=NNC=C1 Z445222298 [0,1,0,0,1,0|1,0,1]=4 370 B9R1.11 COC(=O)C1C=CCN1 Z2901372895 [0,1,0,0,1,0|0,0,2]=4 371 B9R1.11 COC(=O)C1CCCC1 Z18376105 [0,1,0,0,1,0|0,0,2]=4 372 B9R1.11 COC(=O)C1CCCN1 Z240133664 [0,1,0,0,1,0|0,0,2]=4 373 B9R1.11 COC(=O)C1CCNC1 Z1162448855 [0,1,0,0,1,0|0,0,1]=3 374 B9R1.11 COC(=O)C1CCNO1 Z3182027836 [0,1,0,0,1,0|1,0,1]=4 375 B9R1.11 COC(=O)C1CCOC1 Z802555348 [0,1,0,0,1,0|1,0,1]=4 376 B9R1.11 COC(=O)C1NCCS1 Z1203162102 [0,1,0,0,1,0|1,0,1]=4 377 B9R1.11 COC(=O)[C@@H]1CCCN1 Z1263714077 [0,1,0,0,1,0|0,0,2]=4 378 B9R1.11 O=C(CO)N1CCCC1 Z431952022 [0,1,0,0,1,0|1,0,1]=4 379 B9R1.11 O=C(NO)C1CCCO1 Z59183015 [0,1,0,0,1,0|1,0,1]=4 380 B9R1.35 CC1=CC(=CN1)C(=O)O Z1198267230 [0,1,0,0,1,0|0,0,2]=4 381 B9R1.35 CC1=CC(=NN1)C(=O)O Z752370868 [0,1,0,0,1,0|1,0,1]=4 382 B9R1.35 CC1=CNC(=C1)C(=O)O Z1201622537 [0,1,0,0,1,0|0,0,2]=4 383 B9R1.35 CC1C=C(CC1)C(=O)O Z1205494874 [0,1,0,0,1,0|0,0,0]=2 384 B9R1.35 CC1CC(CO1)C(=O)O Z1509040560 [0,1,0,0,1,0|1,0,1]=4 385 B9R1.35 CC1CCC(C1)C(=O)O Z1190318311 [0,1,0,0,1,0|0,0,2]=4 386 B9R1.35 CC1COC(C1)C(=O)O Z2785866738 [0,1,0,0,1,0|1,0,1]=4 387 B9R1.35 CN1C=C(C=N1)C(=O)O Z99601198 [0,1,0,0,1,0|1,0,1]=4 388 B9R1.35 CN1C=CC(=C1)C(=O)O Z1198315029 [0,1,0,0,1,0|0,0,2]=4 389 B9R1.35 CN1C=CC(=N1)C(=O)O Z275170294 [0,1,0,0,1,0|1,0,1]=4 390 B9R1.35 CN1CCC(C1)C(=O)O Z406683232 [0,1,0,0,1,0|0,0,1]=3 391 B9R1.35 CN1N=CC(=N1)C(=O)O Z969757392 [0,1,0,0,1,0|2,0,0]=4 392 B9R1.35 C[C@@H]1CC[C@@H](N1)C(=O)O Z2309921587 [0,1,0,0,1,0|0,0,2]=4 393 B9R1.35 C[C@@H]1CC[C@@H](O1)C(=O)O Z2238277752 [0,1,0,0,1,0|1,0,1]=4 394 B9R1.35 NC1=NNC(=C1)C(=O)O Z275170588 [0,1,0,0,1,0|1,0,1]=4 395 B9R1.35 NC1C=CC(C1)C(=O)O Z1350606478 [0,1,0,0,1,0|0,0,2]=4 396 B9R1.35 N[C@@H]1CC[C@@H](C1)C(=O)O Z2307368779 [0,1,0,0,1,0|0,0,2]=4 397 B9R1.35 O=C(O)C1=CC(=CN1)Cl Z104341138 [0,1,0,0,1,0|0,0,2]=4 398 B9R1.35 O=C(O)C1=CC(=CN1)I Z1183442837 [0,1,0,0,1,0|0,0,2]=4 399 B9R1.35 O=C(O)C1=CC=C(N1)Cl Z1205496495 [0,1,0,0,1,0|0,0,2]=4 400 B9R1.35 O=C(O)C1=CNC(=C1)Br Z1171220840 [0,1,0,0,1,0|0,0,2]=4 401 B9R1.35 O=C(O)C1=NNC(=C1)Br Z1416184726 [0,1,0,0,1,0|1,0,1]=4 402 B9R1.35 O=C(O)C1CCC(C1)F Z1981870592 [0,1,0,0,1,0|0,0,2]=4 403 B9R1.35 O=C(O)[C@@H]1C[C@@H](CN1)O Z2470415380 [0,1,0,0,1,0|0,0,2]=4 404 B9R1.35 O=C(O)[C@@H]1C[C@H](CN1)O Z802856442 [0,1,0,0,1,0|0,0,2]=4 405 B9R1.35 O=C(O)[C@H]1C[C@@H](CN1)O Z1201624589 [0,1,0,0,1,0|0,0,2]=4 406 B9R1.35 O=C1CC(=NN1)C(=O)O Z815290366 [0,1,0,0,1,0|1,0,1]=4 407 B9R1.35 O=C1CC(CN1)C(=O)O Z239137534 [0,1,0,0,1,0|0,0,2]=4 408 B9R1.35 O=C1CCC(C1)C(=O)O Z1205493622 [0,1,0,0,1,0|1,0,1]=4 409 B9R1.35 O=C1NC(=CS1)C(=O)O Z1205494720 [0,1,0,0,1,0|1,0,1]=4 410 B9R1.35 O=C1NC=C(N1)C(=O)O Z56921827 [0,1,0,0,1,0|1,0,1]=4 411 B9R1.41 CC1=C(C=CN1)C(=O)O Z1203731440 [0,1,0,0,1,0|0,0,2]=4 412 B9R1.41 CC1=C(C=NN1)C(=O)O Z240985542 [0,1,0,0,1,0|1,0,1]=4 413 B9R1.41 CC1=C(CCC1)C(=O)O Z1205493763 [0,1,0,0,1,0|0,0,0]=2 414 B9R1.41 CC1=C(NC=C1)C(=O)O Z1198173378 [0,1,0,0,1,0|0,0,2]=4 415 B9R1.41 CC1=C(NC=N1)C(=O)O Z2467454493 [0,1,0,0,1,0|1,0,1]=4 416 B9R1.41 CC1=CNC=C1C(=O)O Z385477350 [0,1,0,0,1,0|0,0,2]=4 417 B9R1.41 CC1=CNN=C1C(=O)O Z1205493880 [0,1,0,0,1,0|1,0,1]=4 418 B9R1.41 CC1CCCC1C(=O)O Z1205493876 [0,1,0,0,1,0|0,0,2]=4 419 B9R1.41 CC1CCNC1C(=O)O Z1708090072 [0,1,0,0,1,0|0,0,2]=4 420 B9R1.41 CC1NCCC1C(=O)O Z2009848190 [0,1,0,0,1,0|0,0,1]=3 421 B9R1.41 CC1OCCC1C(=O)O Z1263714390 [0,1,0,0,1,0|1,0,1]=4 422 B9R1.41 CN1C=CC=C1C(=O)O Z56899027 [0,1,0,0,1,0|0,0,2]=4 423 B9R1.41 CN1C=NC=C1C(=O)O Z1201620699 [0,1,0,0,1,0|1,0,1]=4 424 B9R1.41 CN1CCCC1C(=O)O Z424762078 [0,1,0,0,1,0|0,0,2]=4 425 B9R1.41 CN1CCC[C@@H]1C(=O)O Z1205493803 [0,1,0,0,1,0|0,0,2]=4 426 B9R1.41 CN1N=CC=C1C(=O)O Z275167524 [0,1,0,0,1,0|1,0,1]=4 427 B9R1.41 CN1N=NC=C1C(=O)O Z1198276419 [0,1,0,0,1,0|2,0,0]=4 428 B9R1.41 C[C@@H]1CNC[C@H]1C(=O)N Z2235592159 [0,1,0,0,1,0|1,0,1]=4 429 B9R1.41 NC1=C(C=NN1)C(=O)O Z221429196 [0,1,0,0,1,0|1,0,1]=4 430 B9R1.41 NC1=CNN=C1C(=O)O Z1198219100 [0,1,0,0,1,0|1,0,1]=4 431 B9R1.41 NC1CCCC1C(=O)O Z1250132738 [0,1,0,0,1,0|0,0,2]=4 432 B9R1.41 NN1CCC[C@@H]1C(=O)O Z1205495541 [0,1,0,0,1,0|0,0,2]=4 433 B9R1.41 NN1CCC[C@H]1C(=O)O Z1205494129 [0,1,0,0,1,0|0,0,2]=4 434 B9R1.41 N[C@@H]1CCC[C@H]1C(=O)O Z2568674579 [0,1,0,0,1,0|0,0,2]=4 435 B9R1.41 N[C@@H]1CCO[C@@H]1C(=O)O Z2937968219 [0,1,0,0,1,0|1,0,1]=4 436 B9R1.41 N[C@H]1CCC[C@H]1C(=O)O Z2327569946 [0,1,0,0,1,0|0,0,2]=4 437 B9R1.41 O=C(O)C1=C(C=NN1)Br Z1259273287 [0,1,0,0,1,0|1,0,1]=4 438 B9R1.41 O=C(O)C1=C(C=NN1)I Z275141186 [0,1,0,0,1,0|1,0,1]=4 439 B9R1.41 O=C(O)C1=C(CCC1)Cl Z1198161164 [0,1,0,0,1,0|0,0,0]=2 440 B9R1.41 O=C(O)C1=CNC=C1Br Z1934401318 [0,1,0,0,1,0|0,0,2]=4 441 B9R1.41 O=C(O)C1=NNC=C1F Z1205496349 [0,1,0,0,1,0|1,0,1]=4 442 B9R1.41 O=C(O)C1CCCC1O Z1080722426 [0,1,0,0,1,0|0,0,2]=4 443 B9R1.41 O=C(O)C1CCNC1=O Z1203733517 [0,1,0,0,1,0|0,0,2]=4 444 B9R1.41 O=C(O)[C@@H]1NCC[C@H]1F Z3305005618 [0,1,0,0,1,0|0,0,2]=4 445 B9R1.163 CC1(CCCC1)C(=O)O Z199537270 [0,1,0,0,1,0|0,0,2]=4 446 B9R1.163 CC1(CCCN1)C(=O)O Z1483991628 [0,1,0,0,1,0|0,0,2]=4 447 B9R1.163 CC1(CCCO1)C(=O)O Z1198171568 [0,1,0,0,1,0|1,0,1]=4 448 B9R1.163 CC1(CCCS1)C(=O)O Z1268152237 [0,1,0,0,1,0|1,0,1]=4 449 B9R1.163 CC1(CCNC1)C(=O)N Z1095299604 [0,1,0,0,1,0|1,0,1]=4 450 B9R1.163 CC1(CCNC1)C(=O)O Z1407007571 [0,1,0,0,1,0|0,0,1]=3 451 B9R1.163 CC1(CCOC1)C(=O)O Z995182654 [0,1,0,0,1,0|1,0,1]=4 452 B9R1.163 NC(=O)C1(CCNC1)O Z1809367630 [0,1,0,0,1,0|1,0,1]=4 453 B9R1.163 NC1(CCCC1)C(=O)O Z234896477 [0,1,0,0,1,0|0,0,2]=4 454 B9R1.163 NC1(CCOC1)C(=O)O Z1124555363 [0,1,0,0,1,0|1,0,1]=4 455 B9R1.163 NC1(CCSC1)C(=O)O Z317024750 [0,1,0,0,1,0|1,0,1]=4 456 B9R1.163 O=C(O)C1(CCCC1)O Z220335554 [0,1,0,0,1,0|0,0,2]=4 457 B9R1.163 O=C(O)C1(CCOC1)F Z1893239035 [0,1,0,0,1,0|1,0,1]=4 458 B9R1.163 O=C(O)C1(CCOC1)O Z1124555786 [0,1,0,0,1,0|1,0,1]=4 459 B11R1.20 CC1CCC(=CC(=O)O)CC1 Z352748308 [0,1,0,0,0,1|1,0,1]=4 460 B11R1.20 CN1CC=C(CC1)CC(=O)O Z3024754064 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.36 O=C(O)C(O)C1CCCNC1 Z1964357511 [0,1,0,0,0,1|0,0,2]=4 462 B11R1.40 COC(=O)CC1CNCCO1 Z1342879012 [0,1,0,0,0,1|1,0,1]=4 463 B11R1.40 COC(=O)C[C@@H]1CCCNC1 Z1198161509 [0,1,0,0,0,1|0,0,2]=4 464 B11R1.86 CC1CCNCC1CC(=O)O Z2515281558 [0,1,0,0,0,1|0,0,2]=4 465 B11R1.157 CC1CNCC(C1)CC(=O)O Z2235790824 [0,1,0,0,0,1|0,0,2]=4 466 B11R1.157 CC1CNCC(O1)CC(=O)O Z3991477375 [0,1,0,0,0,1|1,0,1]=4 467 B11R1.157 CN1CCCC(C1)CC(=O)O Z2310699362 [0,1,0,0,0,1|0,0,2]=4 468 B11R1.143 O=C(O)C1CCCCNC1=O Z2732472146 [0,1,0,0,0,1|1,0,1]=4 469 B11R1.497 O=C1CCCCC(N1)C(=O)O Z1217989816 [0,1,0,0,0,1|1,0,1]=4 470 B11R1.852 COC(=O)C1CCCNCC1 Z2941372190 [0,1,0,0,0,1|0,0,2]=4 471 B11R1.852 COC(=O)C1CCNCCN1 Z1269232100 [0,1,0,0,0,1|1,0,1]=4 472 B11R1.852 COC(=O)N1CCCNCC1 Z319610130 [0,1,0,0,0,1|1,0,1]=4 473 B11R1.22 COC(=O)C1=CCN(CC1)C Z992922238 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.22 COC(=O)C1CCC(NC1)C Z3211706034 [0,2,0,0,0,0|0,0,2]=4 475 B11R1.22 COC(=O)[C@@H]1CN[C@H](CN1)C Z4824753667 [0,2,0,0,0,0|1,0,1]=4 476 B11R1.166 CC1CC(C(CN1)C(=O)O)C Z3213439686 [0,2,0,0,0,0|0,0,2]=4 477 B11R1.166 CC1CCC(C(N1)C)C(=O)O Z2379448768 [0,2,0,0,0,0|0,0,2]=4 478 B11R1.727 CC1(CCC(CN1)C(=O)O)C Z4986317694 [0,2,0,0,0,0|0,0,2]=4 479 B11R1.727 CC1(COC(CN1)C(=O)O)C Z3485466720 [0,2,0,0,0,0|1,0,1]=4 480 B11R1.16 CCOC(=O)C1C=CCNC1 Z3617477908 [0,2,0,0,0,0|0,0,2]=4 481 B11R1.16 CCOC(=O)C1CNCCO1 Z854095416 [0,2,0,0,0,0|1,0,1]=4 482 B11R1.23 COC(=O)C1=CCCN(C1)C Z104494834 [0,2,0,0,0,0|0,0,0]=2 483 B11R1.23 COC(=O)C1CNCC(C1)O Z2418193698 [0,2,0,0,0,0|0,0,2]=4 484 B11R1.23 COC(=O)[C@@H]1CNC[C@@H](O1)C Z2451443961 [0,2,0,0,0,0|1,0,1]=4 485 B11R1.23 COC(=O)[C@@H]1CNC[C@H](C1)O Z3378261893 [0,2,0,0,0,0|0,0,2]=4 486 B11R1.222 COC(=O)C1=C(CNCC1)F Z3689654038 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.222 COC(=O)C1CCCNC1C Z3234910381 [0,2,0,0,0,0|0,0,2]=4 488 B11R1.222 COC(=O)C1COCCC1=O Z1331041635 [0,2,0,0,0,0|1,0,1]=4 489 B11R1.222 COC(=O)C1CSCCC1=O Z609890052 [0,2,0,0,0,0|1,0,1]=4 490 B11R1.222 COC(=O)[C@@H]1NCCN[C@@H]1C Z4523300238 [0,2,0,0,0,0|1,0,1]=4 491 B11R1.878 COC(=O)C1(CNCCO1)C Z1255392663 [0,2,0,0,0,0|1,0,1]=4 492 B11R1.53 COC1CCNCC1C(=O)O Z4105034441 [0,2,0,0,0,0|0,0,2]=4 493 B11R1.53 CSC1=C(CCCC1)C(=O)O Z1262537420 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.177 CC1(CCNCC1C(=O)O)C Z3069013028 [0,2,0,0,0,0|0,0,2]=4 495 B11R1.177 O=C(O)C1CNCCC1(F)F Z2082999282 [0,2,0,0,0,0|0,0,2]=4 496 B11R1.74 CC1CN(CC(O1)C(=O)O)C Z2512632675 [0,2,0,0,0,0|1,0,1]=4 497 B11R1.74 C[C@@H]1CN(C[C@@H](O1)C(=O)O)C Z2647353831 [0,2,0,0,0,0|1,0,1]=4 498 B11R1.266 CCN1CCCC(C1)C(=O)O Z763029984 [0,2,0,0,0,0|0,0,2]=4 499 B11R1.266 CCN1CCOC(C1)C(=O)O Z1459939099 [0,2,0,0,0,0|1,0,1]=4 500 B11R1.266 COC1CNCC(C1)C(=O)O Z5209028633 [0,2,0,0,0,0|0,0,2]=4 501 B11R1.730 CC1(CNCC(C1)C(=O)O)C Z3753017050 [0,2,0,0,0,0|0,0,2]=4 502 B11R1.730 CC1(CNCC(O1)C(=O)O)C Z3477046674 [0,2,0,0,0,0|1,0,1]=4 503 B11R1.730 O=C(O)C1CNCC(C1)(F)F Z3301405365 [0,2,0,0,0,0|0,0,2]=4 504 B11R1.1074 COC1(CCCNC1)C(=O)O Z2754060675 [0,2,0,0,0,0|0,0,2]=4 505 B9R1.7 CNCC1=CC=C(O1)Br Z102767192 [0,0,1,1,0,0|1,0,1]=4 506 B9R1.7 CNCC1=CC=C(O1)C Z56957484 [0,0,1,1,0,0|1,0,1]=4 507 B9R1.7 CNCC1COC(=O)O1 Z3827160287 [0,0,1,1,0,0|1,0,1]=4 508 B9R1.13 NC(=O)C=C1CCCC1 Z741560360 [0,0,1,1,0,0|2,0,0]=4 509 B9R1.13 O=C(O)C=C1CCCC1 Z352748244 [0,0,1,1,0,0|1,0,0]=3 510 B9R1.13 O=C(O)CC1CCCN1 Z1480642793 [0,0,1,1,0,0|0,0,2]=4 511 B9R1.13 O=C(O)CC1CCNC1 Z1863617764 [0,0,1,1,0,0|0,0,2]=4 512 B9R1.84 O=C(O)/C=C/C1CCC1 Z1868431084 [0,0,1,1,0,0|1,0,0]=3 513 B9R1.84 O=C(O)C#CC1CNC1 Z3353501796 [0,0,1,1,0,0|0,0,2]=4 514 B9R1.85 O=C(O)CCNC1CC1 Z235346951 [0,0,1,1,0,0|0,0,2]=4 515 B9R1.23 CN1CC(OC1=O)CN Z1623864195 [0,0,1,1,0,0|1,0,1]=4 516 B9R1.95 NCC1CC(C1)C(=O)O Z3247510672 [0,0,1,1,0,0|0,0,2]=4 517 B9R1.110 CC(=C1CCC1)C(=O)O Z1341746422 [0,0,1,1,0,0|1,0,0]=3 518 B9R1.33 CNCC1=C(OC=C1)C Z818732086 [0,0,1,1,0,0|1,0,1]=4 519 B9R1.119 NCC1(CCC1)C(=O)O Z2037266975 [0,0,1,1,0,0|0,0,2]=4 520 B9R1.130 C[C@@H]1C[C@@]1(CN)C(=O)O Z3409601701 [0,0,1,1,0,0|0,0,2]=4 521 B11R2.10 BrC1=CC2=C(S1)CCNC2 Z1473994884 [0,0,0,1,0,1|1,1,0]=4 522 B11R2.10 BrC1=CC2=C(S1)CNCC2 Z1536943526 [0,0,0,1,0,1|2,0,0]=4 523 B11R2.10 CC1=CC2=C(S1)CCNC2 Z4511731875 [0,0,0,1,0,1|1,1,0]=4 524 B11R2.10 CC1=NC2=C(N1)CCNC2 Z2309942226 [0,0,0,1,0,1|2,0,0]=4 525 B11R2.10 CC1=NC2=C(S1)CNCC2 Z3371563626 [0,0,0,1,0,1|2,0,0]=4 526 B11R2.10 ClC1=CC2=C(S1)CCNC2 Z2379036208 [0,0,0,1,0,1|1,1,0]=4 527 B11R2.10 O=C1C=C2CNCCC2S1 Z1198314490 [0,0,0,1,0,1|0,1,1]=4 528 B11R2.10 O=C1C=C2NCCC=C2O1 Z1203733742 [0,0,0,1,0,1|1,0,1]=4 529 B11R2.10 O=C1NC2=C(N1)CNCC2 Z3243070122 [0,0,0,1,0,1|1,0,0]=3 530 B11R2.10 O=C1NC2=C(S1)CCCC2 Z409413532 [0,0,0,1,0,1|1,1,0]=4 531 B11R2.10 SC1=NC2=C(N1)CNCC2 Z4590913977 [0,0,0,1,0,1|1,1,0]=4 532 B11R2.1824 O=C(O)[C@H]1[C@H]2CNC[C@@H]1C2 Z5354305391 [0,0,0,1,0,1|0,0,2]=4 533 B11R2.1852 O=C(O)[C@H]1[C@@H]2[C@H]1CCNC2 Z4605254163 [0,0,0,1,0,1|0,0,2]=4 534 B11R2.819 O=C(O)[C@]12CC[C@H]1CNC2 Z2940617658 [0,0,0,1,0,1|0,0,2]=4 535 B11R2.1 BrC1=CSC2=C1CNCC2 Z2830496432 [0,1,0,1,0,0|1,1,0]=4 536 B11R2.1 NC1=C2CCCCC2=NO1 Z1198168620 [0,1,0,1,0,0|2,0,0]=4 537 B11R2.1 NC1=C2CNCCC2=NN1 Z2755724161 [0,1,0,1,0,0|2,0,0]=4 538 B11R2.1 NC1=C2CNCCC2=NO1 Z2968050470 [0,1,0,1,0,0|1,0,0]=3 539 B11R2.1 O=C1NNC2=C1CNCC2 Z1809367650 [0,1,0,1,0,0|1,0,0]=3 540 B11R2.1 O=C1OCC2=C1CCNC2 Z4402125740 [0,1,0,1,0,0|2,0,0]=4 541 B11R2.1 OC1=C2CNCCN2N=C1 Z3683009742 [0,1,0,1,0,0|2,0,0]=4 542 B11R2.845 O=C(O)C1CN2CCC1C2 Z1262558196 [0,1,0,1,0,0|0,0,2]=4 543 B11R2.818 C[C@@]12CNC[C@@]1(C2)C(=O)O Z4120110312 [0,1,0,1,0,0|0,0,2]=4 544 B11R2.1826 O=C(O)C12CNCC(C1)C2 Z3244821611 [0,1,0,1,0,0|0,0,2]=4 545 B7R1.1 O=CC1=CC=CN1 Z104478580 [1,0,0,0,1,0|0,0,2]=4 546 B7R1.1 O=CC1=CCCC1 Z1190318866 [1,0,0,0,1,0|0,0,0]=2 547 B7R1.1 O=CC1=CCSC1 Z57981092 [1,0,0,0,1,0|1,0,0]=3 548 B7R1.1 O=CC1=CNC=C1 Z1154253206 [1,0,0,0,1,0|0,0,2]=4 549 B7R1.1 O=CC1=CNN=C1 Z275127960 [1,0,0,0,1,0|1,0,1]=4 550 B7R1.1 O=CC1=NNC=C1 Z234896951 [1,0,0,0,1,0|1,0,1]=4 551 B7R1.1 O=CC1CCCC1 Z875036058 [1,0,0,0,1,0|0,0,2]=4 552 B7R1.1 O=CC1CCOC1 Z199056102 [1,0,0,0,1,0|1,0,1]=4 553 B7R1.1 O=CC1CCSC1 Z1201681645 [1,0,0,0,1,0|1,0,1]=4 554 B7R1.1 O=CN1CCCC1 Z1255394997 [1,0,0,0,1,0|1,0,1]=4 555 B7R1.1 OCC1CCNC1 Z976722188 [1,0,0,0,1,0|0,0,2]=4 556 B7R1.18 NC(=O)C1CCC1 Z33546656 [0,0,0,0,2,0|1,0,1]=4 557 B7R1.18 NC(=O)C1CNC1 Z2754447740 [0,0,0,0,2,0|1,0,1]=4 558 B7R1.18 O=C(O)C1CCC1 Z104472264 [0,0,0,0,2,0|0,0,1]=3 559 B7R1.18 O=C(O)C1CCN1 Z168878270 [0,0,0,0,2,0|0,0,1]=3 560 B7R1.18 O=C(O)C1CNC1 Z1171217434 [0,0,0,0,2,0|0,0,1]=3 561 B7R1.18 O=C(O)C1CSC1 Z1205495555 [0,0,0,0,2,0|1,0,1]=4 562 B9R1.89 O=CC1=CCCCCC1 Z1190318867 [1,0,0,0,0,1|1,0,0]=3 563 B9R1.89 O=CN1CCCNCC1 Z104510266 [1,0,0,0,0,1|1,0,1]=4 564 B11R1.91 O=C(O)C#CC1CCCNC1 Z2492804071 [0,0,0,0,0,2|0,0,2]=4 565 B11R1.91 O=C(O)CCC1CCCNC1 Z839027062 [0,0,0,0,0,2|0,0,2]=4 566 B11R1.91 O=C(O)CCC1CNCCO1 Z3326049576 [0,0,0,0,0,2|1,0,1]=4 567 B11R1.742 O=C(O)CC1CCCNCC1 Z2830496103 [0,0,0,0,0,2|0,0,2]=4 568 B11R1.742 O=C(O)CN1CCCNCC1 Z1259161963 [0,0,0,0,0,2|1,0,1]=4