0 B17R2.2382 C(=C/c1ccccc1)\C=C\c2ccccc2 Amb2458220 [0,0,0,0,0,0|2,0,2]=4 1 B17R2.2382 C(CCC[n+]1ccccc1)[n+]2ccccc2 Amb20668088 [0,0,0,0,0,0|4,0,0]=4 2 B17R2.2382 C(CCCc1cccc[n]1)c2ccccc2 Amb24064991 [0,0,0,0,0,0|3,0,0]=3 3 B17R2.2382 C(CCCc1ccccc1)c2cc[n]cc2 Amb24097587 [0,0,0,0,0,0|3,0,0]=3 4 B17R2.2382 C(CNc1ccccc1)Nc2ccccc2 Amb22733337 [0,0,0,0,0,0|4,0,0]=4 5 B17R2.2382 C(C[n+]1ccccc1)CC[n+]2ccccc2 Amb1154001 [0,0,0,0,0,0|4,0,0]=4 6 B17R2.2382 C(NCCc1ccccc1)c2cccc[n]2 Amb22279533 [0,0,0,0,0,0|3,0,0]=3 7 B17R2.2382 C(N\C=C\c1ccccc1)c2ccccc2 Amb25350265 [0,0,0,0,0,0|2,0,1]=3 8 B17R2.2382 C(N\C=N\c1cc[n]cc1)c2ccccc2 Amb25054020 [0,0,0,0,0,0|4,0,0]=4 9 B17R2.2382 C(OCCc1ccccc1)c2ccccc2 Amb24092972 [0,0,0,0,0,0|1,1,0]=2 10 B17R2.2382 C(OCOc1c[n]ccc1)c2ccccc2 Amb25168546 [0,0,0,0,0,0|3,1,0]=4 11 B17R2.2382 C(ON=Cc1c[n]ccc1)c2ccccc2 Amb24072697 [0,0,0,0,0,0|2,1,1]=4 12 B17R2.2382 C(ONCc1c[n]c[n]c1)c2ccccc2 Amb25777268 [0,0,0,0,0,0|3,1,0]=4 13 B17R2.2382 C(ONCc1cccc[n]1)c2ccccc2 Amb24582217 [0,0,0,0,0,0|2,1,0]=3 14 B17R2.2382 C(O\C=N\c1ccccc1)c2ccccc2 Amb24629275 [0,0,0,0,0,0|2,1,0]=3 15 B17R2.2382 C(O\N=C\c1cc[n]cc1)c2ccccc2 Amb25370566 [0,0,0,0,0,0|2,1,1]=4 16 B17R2.2382 S(Cc1ccncc1)SCc2ccncc2 Amb10563131 [0,0,0,0,0,0|2,0,0]=2 17 B17R2.2382 c1ccc(cc1)C#CC#Cc2ccccc2 Amb17836434 [0,0,0,0,0,0|2,0,2]=4 18 B17R2.2382 c1ccc(cc1)CCNCc2cccnc2 Amb15740914 [0,0,0,0,0,0|3,0,0]=3 19 B17R2.2382 c1ccc(cc1)CCNCc2ccncc2 Amb13961960 [0,0,0,0,0,0|3,0,0]=3 20 B17R2.2382 c1ccc(cc1)CNCCc2ccccc2 Amb1049050 [0,0,0,0,0,0|2,0,0]=2 21 B17R2.2382 c1ccc(cc1)CNCCc2ccccn2 Amb1397745 [0,0,0,0,0,0|3,0,0]=3 22 B17R2.2382 c1ccc(cc1)CSCCc2ccncc2 Amb1032140 [0,0,0,0,0,0|2,0,0]=2 23 B17R2.2382 c1ccc(cc1)SC\C=C\c2ccccc2 Amb2433200 [0,0,0,0,0,0|3,0,1]=4 24 B17R2.2382 c1ccc(cc1)\C=C\C=N\c2ccccc2 Amb2459649 [0,0,0,0,0,0|3,0,1]=4 25 B17R2.2382 c1ccc(cc1)\C=N/C=C\c2ccccc2 Amb10559943 [0,0,0,0,0,0|2,0,2]=4 26 B17R2.2382 c1ccc(cc1)\C=N\N=C\c2ccccc2 Amb1419561 [0,0,0,0,0,0|2,0,2]=4 27 B17R2.2382 c1ccccc1NN\N=N\c2ccccc2 Amb21953597 [0,0,0,0,0,0|4,0,0]=4 28 B17R2.2382 c1ccccc1SC=CSc2ccccc2 Amb24323388 [0,0,0,0,0,0|4,0,0]=4 29 B18R2.270 Brc1c[n]c(CNOCc2ccccc2)cc1 Amb25373642 [0,1,0,0,0,0|2,1,0]=4 30 B18R2.270 Brc1ccc(CCCSc2ccccc2)cc1 Amb22471644 [0,1,0,0,0,0|3,0,0]=4 31 B18R2.270 Brc1ccc(CCOCc2ccccc2)cc1 Amb25322703 [0,1,0,0,0,0|1,1,0]=3 32 B18R2.270 Brc1ccc(CNOCc2ccccc2)cc1 Amb25025813 [0,1,0,0,0,0|1,1,0]=3 33 B18R2.270 Brc1ccc(cc1)OCOCc2ccccc2 Amb25745562 [0,1,0,0,0,0|2,1,0]=4 34 B18R2.270 Brc1ccc(cc1)\N=N\NCc2ccccc2 Amb24582456 [0,1,0,0,0,0|3,0,0]=4 35 B18R2.270 Cc1c[n]c(CCNCc2ccccc2)cc1 Amb25747119 [0,1,0,0,0,0|3,0,0]=4 36 B18R2.270 Cc1c[n]c(CNOCc2ccccc2)cc1 Amb25286844 [0,1,0,0,0,0|2,1,0]=4 37 B18R2.270 Cc1ccc(CCCNc2ccccc2)cc1 Amb23950702 [0,1,0,0,0,0|3,0,0]=4 38 B18R2.270 Cc1ccc(CCNCc2ccccc2)cc1 Amb25026145 [0,1,0,0,0,0|2,0,0]=3 39 B18R2.270 Cc1ccc(CNOCc2ccccc2)cc1 Amb24556150 [0,1,0,0,0,0|1,1,0]=3 40 B18R2.270 Cc1ccc(cc1)N\N=N\Cc2ccccc2 Amb22489918 [0,1,0,0,0,0|3,0,0]=4 41 B18R2.270 Clc1ccc(C=NNCc2ccccc2)cc1 Amb22447544 [0,1,0,0,0,0|2,0,1]=4 42 B18R2.270 Clc1ccc(CCNCc2c[n]ccc2)cc1 Amb22587763 [0,1,0,0,0,0|3,0,0]=4 43 B18R2.270 Clc1ccc(CCNCc2cc[n]cc2)cc1 Amb22587835 [0,1,0,0,0,0|3,0,0]=4 44 B18R2.270 Clc1ccc(CNOCc2ccccc2)c[n]1 Amb22487961 [0,1,0,0,0,0|2,1,0]=4 45 B18R2.270 Clc1ccc(CNOCc2ccccc2)cc1 Amb25349917 [0,1,0,0,0,0|1,1,0]=3 46 B18R2.270 Clc1ccc(cc1)CCNCc2cccnc2 Amb1846009 [0,1,0,0,0,0|3,0,0]=4 47 B18R2.270 Clc1ccc(cc1)OCOCc2ccccc2 Amb24673858 [0,1,0,0,0,0|2,1,0]=4 48 B18R2.270 Fc1ccc(CCNCc2c[n]ccc2)cc1 Amb21973341 [0,1,0,0,0,0|3,0,0]=4 49 B18R2.270 Fc1ccc(CCNCc2c[n]ccc2)cc1 Amb22587905 [0,1,0,0,0,0|3,0,0]=4 50 B18R2.270 Fc1ccc(CNCCc2c[n]ccc2)cc1 Amb23916062 [0,1,0,0,0,0|3,0,0]=4 51 B18R2.270 Fc1ccc(CNCCc2ccccc2)cc1 Amb22283512 [0,1,0,0,0,0|2,0,0]=3 52 B18R2.270 Fc1ccc(cc1)CNCCc2ccccc2 Amb1058734 [0,1,0,0,0,0|2,0,0]=3 53 B18R2.270 Ic1ccc(cc1)OCCCc2ccccc2 Amb22269808 [0,1,0,0,0,0|3,0,0]=4 54 B18R2.270 Nc1c[n]c(CCNCc2ccccc2)cc1 Amb25811777 [0,1,0,0,0,0|3,0,0]=4 55 B18R2.270 Nc1ccc(CCNCc2c[n]ccc2)cc1 Amb18050951 [0,1,0,0,0,0|3,0,0]=4 56 B18R2.270 Nc1ccc(CCNCc2cc[n]cc2)cc1 Amb18050949 [0,1,0,0,0,0|3,0,0]=4 57 B18R2.270 Nc1ccc(CCNCc2cccc[n]2)cc1 Amb18050952 [0,1,0,0,0,0|3,0,0]=4 58 B18R2.270 Nc1ccc(CCNCc2ccccc2)cc1 Amb25042095 [0,1,0,0,0,0|2,0,0]=3 59 B18R2.270 Nc1ccc(CCOCc2ccccc2)c[n]1 Amb24613868 [0,1,0,0,0,0|2,1,0]=4 60 B18R2.270 Nc1ccc(cc1)OCCCc2ccccc2 Amb2089061 [0,1,0,0,0,0|3,0,0]=4 61 B18R2.270 Nc1ccc(cc1)SCOCc2ccccc2 Amb25811372 [0,1,0,0,0,0|2,1,0]=4 62 B18R2.270 O=C1C=CN(CCOCc2ccccc2)C=C1 Amb25747278 [0,1,0,0,0,0|2,1,0]=4 63 B18R2.270 Oc1ccc(cc1)SCOCc2ccccc2 Amb25746438 [0,1,0,0,0,0|2,1,0]=4 64 B18R2.270 Oc1ccc(cc1)\C=N\CCc2ccccc2 Amb1005883 [0,1,0,0,0,0|2,0,1]=4 65 B18R2.270 Oc1ccc(cc1)\N=C\CCc2ccccc2 Amb2270720 [0,1,0,0,0,0|3,0,0]=4 66 B18R2.2429 CC(Cc1ccccc1)NCc2ccccc2 Amb17618657 [0,1,0,0,0,0|2,0,0]=3 67 B18R2.2429 CC(Cc1ccccc1)NCc2ccccc2 Amb1813683 [0,1,0,0,0,0|2,0,0]=3 68 B18R2.2429 CN(Cc1ccccc1)CCc2ccccc2 Amb24073593 [0,1,0,0,0,0|2,0,0]=3 69 B18R2.2429 CN(Cc1ccccc1)CCc2ccccc2 Amb24073635 [0,1,0,0,0,0|2,0,0]=3 70 B18R2.2429 CN(Cc1ccccc1)CCc2ccccn2 Amb1846042 [0,1,0,0,0,0|3,0,0]=4 71 B18R2.2429 C\C(=N/Nc1ccccc1)\Cc2ccccc2 Amb11012847 [0,1,0,0,0,0|3,0,0]=4 72 B18R2.2429 C\C(=N/c1ccccc1)\SCc2ccccc2 Amb10560873 [0,1,0,0,0,0|2,0,0]=3 73 B18R2.2429 N=C(NCc1ccccc1)Nc2ccccc2 Amb23917722 [0,1,0,0,0,0|3,0,0]=4 74 B18R2.2429 NC(Cc1ccccc1)CNc2ccccc2 Amb23927061 [0,1,0,0,0,0|3,0,0]=4 75 B18R2.2429 NC(Cc1ccccc1)CSc2ccccc2 Amb23997328 [0,1,0,0,0,0|3,0,0]=4 76 B18R2.2429 N\C(\Cc1ccccc1)=N\Cc2ccccc2 Amb23569056 [0,1,0,0,0,0|2,0,0]=3 77 B18R2.2429 O=C(C[n+]1ccccc1)NCc2ccccc2 Amb10554831 [0,1,0,0,0,0|3,0,0]=4 78 B18R2.2429 O=C(Cc1c[n]ccc1)NCc2ccccc2 Amb24500481 [0,1,0,0,0,0|3,0,0]=4 79 B18R2.2429 O=C(Cc1cccc[n]1)NCc2ccccc2 Amb24619255 [0,1,0,0,0,0|3,0,0]=4 80 B18R2.2429 O=C(Cc1ccccc1)C#Cc2ccccc2 Amb10562233 [0,1,0,0,0,0|2,0,1]=4 81 B18R2.2429 O=C(Cc1ccccc1)CCc2ccccc2 Amb10572893 [0,1,0,0,0,0|2,0,0]=3 82 B18R2.2429 O=C(Cc1ccccc1)OCc2ccccc2 Amb17940828 [0,1,0,0,0,0|1,1,0]=3 83 B18R2.2429 O=C(Cc1ccncc1)NCc2ccccc2 Amb10554798 [0,1,0,0,0,0|3,0,0]=4 84 B18R2.2429 O=C(NCc1ccccc1)Oc2ccccc2 Amb22266656 [0,1,0,0,0,0|3,0,0]=4 85 B18R2.2429 O=C(Nc1ccccc1)NCc2ccccc2 Amb1233390 [0,1,0,0,0,0|3,0,0]=4 86 B18R2.2429 O=C(OCc1ccccc1)Oc2ccccc2 Amb21963907 [0,1,0,0,0,0|2,1,0]=4 87 B18R2.2429 O=S(Cc1ccccc1)CCc2ccccc2 Amb20963037 [0,1,0,0,0,0|1,0,1]=3 88 B18R2.3984 Brc1ccc[n]c1CNOCc2ccccc2 Amb24332736 [0,1,0,0,0,0|2,1,0]=4 89 B18R2.3984 Brc1ccccc1CSCCc2cccc[n]2 Amb20749793 [0,1,0,0,0,0|2,0,0]=3 90 B18R2.3984 Cc1[n]cccc1CNOCc2ccccc2 Amb25269342 [0,1,0,0,0,0|2,1,0]=4 91 B18R2.3984 Cc1ccc[n]c1CNOCc2ccccc2 Amb25113542 [0,1,0,0,0,0|2,1,0]=4 92 B18R2.3984 Cc1ccccc1CCNCc2c[n]ccc2 Amb20138843 [0,1,0,0,0,0|3,0,0]=4 93 B18R2.3984 Cc1ccccc1CCNCc2cccc[n]2 Amb23912366 [0,1,0,0,0,0|3,0,0]=4 94 B18R2.3984 Cc1ccccc1CCNCc2ccccc2 Amb20077544 [0,1,0,0,0,0|2,0,0]=3 95 B18R2.3984 Cc1ccccc1CNCCc2c[n]ccc2 Amb23916064 [0,1,0,0,0,0|3,0,0]=4 96 B18R2.3984 Cc1ccccc1CNCCc2ccccc2 Amb21972793 [0,1,0,0,0,0|2,0,0]=3 97 B18R2.3984 Cc1ccccc1OCCCc2ccccc2 Amb22266357 [0,1,0,0,0,0|3,0,0]=4 98 B18R2.3984 Cc1ccccc1OCOCc2ccccc2 Amb25367952 [0,1,0,0,0,0|2,1,0]=4 99 B18R2.3984 Clc1c[n]ccc1CNOCc2ccccc2 Amb25061052 [0,1,0,0,0,0|2,1,0]=4 100 B18R2.3984 Clc1ccccc1CCCNc2ccccc2 Amb20076466 [0,1,0,0,0,0|3,0,0]=4 101 B18R2.3984 Clc1ccccc1OCCCc2ccccc2 Amb22285380 [0,1,0,0,0,0|3,0,0]=4 102 B18R2.3984 Fc1ccccc1CNOCc2ccccc2 Amb25026863 [0,1,0,0,0,0|1,1,0]=3 103 B18R2.3984 Fc1ccccc1OCOCc2ccccc2 Amb25367953 [0,1,0,0,0,0|2,1,0]=4 104 B18R2.3984 Nc1cc[n]cc1CCOCc2ccccc2 Amb24332828 [0,1,0,0,0,0|2,1,0]=4 105 B18R2.3984 Nc1ccccc1CCNCc2ccccc2 Amb25134012 [0,1,0,0,0,0|2,0,0]=3 106 B18R2.3984 Nc1ccccc1CCOCc2ccccc2 Amb24757356 [0,1,0,0,0,0|1,1,0]=3 107 B18R2.3984 Nc1ccccc1CNCCc2cc[n]cc2 Amb24023378 [0,1,0,0,0,0|3,0,0]=4 108 B18R2.3984 Nc1ccccc1CNCCc2cccc[n]2 Amb24023297 [0,1,0,0,0,0|3,0,0]=4 109 B18R2.3984 Nc1ccccc1CNCCc2ccccc2 Amb18659529 [0,1,0,0,0,0|2,0,0]=3 110 B18R2.3984 Nc1ccccc1NCCCc2ccccc2 Amb19373177 [0,1,0,0,0,0|3,0,0]=4 111 B18R2.3984 Nc1ccccc1OCCCc2ccccc2 Amb2094487 [0,1,0,0,0,0|3,0,0]=4 112 B18R2.3984 Nc1ccccc1OCOCc2ccccc2 Amb25096926 [0,1,0,0,0,0|2,1,0]=4 113 B18R2.3984 Nc1ccccc1SCOCc2ccccc2 Amb25743213 [0,1,0,0,0,0|2,1,0]=4 114 B18R2.3984 O=C1C=CC=CN1CCNCc2ccccc2 Amb25254090 [0,1,0,0,0,0|3,0,0]=4 115 B18R2.3984 O=C1C=CC=CN1CCOCc2ccccc2 Amb24334461 [0,1,0,0,0,0|2,1,0]=4 116 B18R2.3984 Oc1ccc[n]c1CNOCc2ccccc2 Amb24529958 [0,1,0,0,0,0|2,1,0]=4 117 B18R2.3984 Oc1ccccc1CNCCc2cc[n]cc2 Amb23920318 [0,1,0,0,0,0|3,0,0]=4 118 B18R2.3984 Oc1ccccc1CNCCc2ccccc2 Amb24080734 [0,1,0,0,0,0|2,0,0]=3 119 B18R2.3984 Oc1ccccc1CNOCc2ccccc2 Amb24635181 [0,1,0,0,0,0|1,1,0]=3 120 B18R2.3984 Oc1ccccc1OCOCc2ccccc2 Amb25662536 [0,1,0,0,0,0|2,1,0]=4 121 B18R2.3984 Oc1ccccc1SCOCc2ccccc2 Amb24451567 [0,1,0,0,0,0|2,1,0]=4 122 B18R2.6483 Brc1c[n]cc(CNOCc2ccccc2)c1 Amb25746964 [0,1,0,0,0,0|2,1,0]=4 123 B18R2.6483 Brc1cc(CNCCc2c[n]ccc2)ccc1 Amb23916061 [0,1,0,0,0,0|3,0,0]=4 124 B18R2.6483 Brc1cc(CNOCc2ccccc2)ccc1 Amb25774059 [0,1,0,0,0,0|1,1,0]=3 125 B18R2.6483 Brc1cc(CSCCc2cccc[n]2)ccc1 Amb20749619 [0,1,0,0,0,0|2,0,0]=3 126 B18R2.6483 Brc1cc(ccc1)OCOCc2ccccc2 Amb25746704 [0,1,0,0,0,0|2,1,0]=4 127 B18R2.6483 Cc1cc(CCNCc2c[n]ccc2)ccc1 Amb23947415 [0,1,0,0,0,0|3,0,0]=4 128 B18R2.6483 Cc1cc(CNOCc2ccccc2)cc[n]1 Amb24613918 [0,1,0,0,0,0|2,1,0]=4 129 B18R2.6483 Cc1cc(CNOCc2ccccc2)ccc1 Amb25079434 [0,1,0,0,0,0|1,1,0]=3 130 B18R2.6483 Cc1cc(ccc1)OCOCc2ccccc2 Amb25378491 [0,1,0,0,0,0|2,1,0]=4 131 B18R2.6483 Cc1cccc(CNCCc2ccccc2)[n]1 Amb21953675 [0,1,0,0,0,0|3,0,0]=4 132 B18R2.6483 Cc1cccc(CNOCc2ccccc2)[n]1 Amb24511051 [0,1,0,0,0,0|2,1,0]=4 133 B18R2.6483 Clc1cc(CNOCc2ccccc2)ccc1 Amb25695071 [0,1,0,0,0,0|1,1,0]=3 134 B18R2.6483 Clc1cc(ccc1)OCCCc2ccccc2 Amb22285373 [0,1,0,0,0,0|3,0,0]=4 135 B18R2.6483 Clc1cc(ccc1)OCOCc2ccccc2 Amb24746457 [0,1,0,0,0,0|2,1,0]=4 136 B18R2.6483 Clc1cccc(c1)CCNCc2ccccc2 Amb17159839 [0,1,0,0,0,0|2,0,0]=3 137 B18R2.6483 Fc1c[n]cc(CNOCc2ccccc2)c1 Amb24332457 [0,1,0,0,0,0|2,1,0]=4 138 B18R2.6483 Fc1cc(CNOCc2ccccc2)ccc1 Amb25369903 [0,1,0,0,0,0|1,1,0]=3 139 B18R2.6483 Fc1cccc(c1)CCNCc2ccccn2 Amb2231717 [0,1,0,0,0,0|3,0,0]=4 140 B18R2.6483 Ic1cc(CNOCc2ccccc2)ccc1 Amb25142244 [0,1,0,0,0,0|1,1,0]=3 141 B18R2.6483 Ic1cc(COCCc2ccccc2)ccc1 Amb22753538 [0,1,0,0,0,0|1,1,0]=3 142 B18R2.6483 Ic1cc(ccc1)OCOCc2ccccc2 Amb25349187 [0,1,0,0,0,0|2,1,0]=4 143 B18R2.6483 Nc1cc(CCNCc2c[n]ccc2)ccc1 Amb18550402 [0,1,0,0,0,0|3,0,0]=4 144 B18R2.6483 Nc1cc(CCNCc2cc[n]cc2)ccc1 Amb18050990 [0,1,0,0,0,0|3,0,0]=4 145 B18R2.6483 Nc1cc(CCNCc2cccc[n]2)ccc1 Amb18550403 [0,1,0,0,0,0|3,0,0]=4 146 B18R2.6483 Nc1cc(CCNCc2ccccc2)ccc1 Amb18550386 [0,1,0,0,0,0|2,0,0]=3 147 B18R2.6483 Nc1cc(ccc1)SCOCc2ccccc2 Amb25811411 [0,1,0,0,0,0|2,1,0]=4 148 B18R2.6483 Nc1cccc(c1)OCCCc2ccccc2 Amb2094488 [0,1,0,0,0,0|3,0,0]=4 149 B18R2.6483 Oc1cc(CNCCc2c[n]ccc2)ccc1 Amb23916066 [0,1,0,0,0,0|3,0,0]=4 150 B18R2.6483 Oc1cc(CNOCc2ccccc2)[n]cc1 Amb24332521 [0,1,0,0,0,0|2,1,0]=4 151 B18R2.6483 Oc1cc(CNOCc2ccccc2)ccc1 Amb24567262 [0,1,0,0,0,0|1,1,0]=3 152 B18R2.6483 Oc1cc(ccc1)SCOCc2ccccc2 Amb25289825 [0,1,0,0,0,0|2,1,0]=4 153 B18R2.7189 C=C(CNCc1ccccc1)c2ccccc2 Amb25026829 [0,1,0,0,0,0|2,0,1]=4 154 B18R2.7189 CC(NCCc1ccc[n]c1)c2ccccc2 Amb23916481 [0,1,0,0,0,0|3,0,0]=4 155 B18R2.7189 CC(c1ccccc1)CNCc2ccccc2 Amb2119082 [0,1,0,0,0,0|2,0,0]=3 156 B18R2.7189 CC(c1ccccc1)CNCc2cccnc2 Amb1851159 [0,1,0,0,0,0|3,0,0]=4 157 B18R2.7189 CC(c1ccccc1)NCCc2ccccc2 Amb2119243 [0,1,0,0,0,0|2,0,0]=3 158 B18R2.7189 CC(c1ccccc1)[NH2+]CCc2ccccc2 Amb10558680 [0,1,0,0,0,0|2,0,0]=3 159 B18R2.7189 CN(CCCc1ccccc1)c2ccccc2 Amb21540830 [0,1,0,0,0,0|3,0,0]=4 160 B18R2.7189 ClC(CNCc1ccccc1)c2ccccc2 Amb25026846 [0,1,0,0,0,0|2,0,0]=3 161 B18R2.7189 NC(=NOCc1ccccc1)c2ccccc2 Amb11212592 [0,1,0,0,0,0|1,1,1]=4 162 B18R2.7189 NC(CCNc1ccccc1)c2ccccc2 Amb23927062 [0,1,0,0,0,0|3,0,0]=4 163 B18R2.7189 NC(COCc1ccccc1)c2ccccc2 Amb19374866 [0,1,0,0,0,0|1,1,0]=3 164 B18R2.7189 NC(c1ccccc1)COCc2ccccc2 Amb1126312 [0,1,0,0,0,0|1,1,0]=3 165 B18R2.7189 N[C@@H](COCc1ccccc1)c2ccccc2 Amb18016675 [0,1,0,0,0,0|1,1,0]=3 166 B18R2.7189 N[C@@H](c1ccccc1)COCc2ccccc2 Amb17061720 [0,1,0,0,0,0|1,1,0]=3 167 B18R2.7189 O=C(COCc1ccccc1)c2ccccc2 Amb21928125 [0,1,0,0,0,0|1,1,1]=4 168 B18R2.7189 O=C(NNCc1ccccc1)c2ccccc2 Amb22485056 [0,1,0,0,0,0|2,0,1]=4 169 B18R2.7189 O=C(c1ccccc1)CCCc2ccccc2 Amb1548163 [0,1,0,0,0,0|2,0,1]=4 170 B18R2.7189 O=C(c1ccccc1)NOCc2ccccc2 Amb10426334 [0,1,0,0,0,0|1,1,1]=4 171 B18R2.7189 OC(CCSc1ccccc1)c2ccccc2 Amb21984422 [0,1,0,0,0,0|3,0,0]=4 172 B18R2.7189 OC(COCc1ccccc1)c2c[n]ccc2 Amb25336658 [0,1,0,0,0,0|2,1,0]=4 173 B18R2.7189 OC(COCc1ccccc1)c2ccccc2 Amb25779451 [0,1,0,0,0,0|1,1,0]=3 174 B18R2.7189 OC(CSCc1cccnc1)c2ccccc2 Amb17876068 [0,1,0,0,0,0|2,0,0]=3 175 B18R2.7189 OC(c1ccccc1)CCCc2ccccc2 Amb2385846 [0,1,0,0,0,0|2,0,0]=3 176 B18R2.7189 OC(c1ccccc1)CNCc2ccccn2 Amb2282236 [0,1,0,0,0,0|3,0,0]=4 177 B18R2.7189 OC(c1ccccc1)CNCc2cccnc2 Amb1091618 [0,1,0,0,0,0|3,0,0]=4 178 B18R2.7189 O[C@@H](CNCc1ccccc1)c2ccccc2 Amb20240841 [0,1,0,0,0,0|2,0,0]=3 179 B18R2.7189 S=C(c1ccccc1)NCCc2ccccc2 Amb1076816 [0,1,0,0,0,0|2,0,1]=4 180 B18R3.2098 C(C1CCc2ccccc21)c3cccc[n]3 Amb24089496 [0,0,0,1,0,0|3,0,0]=4 181 B18R3.2098 C(c1cccc[n]1)N2CCc3ccccc23 Amb24080245 [0,0,0,1,0,0|3,0,0]=4 182 B18R3.2098 C(c1ccccc1)[n+]2c[s]c3ccccc23 Amb22343306 [0,0,0,1,0,0|3,0,0]=4 183 B18R3.2098 c1ccc(cc1)CC2CNc3c2cccc3 Amb17240364 [0,0,0,1,0,0|3,0,0]=4 184 B18R3.2098 c1ccc(cc1)CN2CCc3c2cccc3 Amb10610016 [0,0,0,1,0,0|2,0,0]=3 185 B18R3.2098 c1ccc(cc1)C[n+]2csc3c2cccc3 Amb16205276 [0,0,0,1,0,0|3,0,0]=4 186 B18R3.2098 c1ccc(cc1)C[n+]2csc3c2cccc3 Amb16205842 [0,0,0,1,0,0|3,0,0]=4 187 B18R3.2098 c1ccc(cc1)Cc2c[nH]c3c2cccc3 Amb1910719 [0,0,0,1,0,0|3,0,0]=4 188 B18R3.2098 c1ccc(cc1)Cn2cnc3c2cccc3 Amb1219763 [0,0,0,1,0,0|3,0,0]=4 189 B18R3.2098 c1ccc(cc1)SC2CCc3c2cccc3 Amb10559917 [0,0,0,1,0,0|3,0,0]=4 190 B18R3.2098 c1ccc(cc1)[13CH2]n2nnc3c2cccc3 Amb10570594 [0,0,0,1,0,0|3,0,0]=4 191 B18R3.2108 C1CN[C@H](c2ccccc21)c3ccccc3 Amb19892402 [0,0,0,1,0,0|2,0,0]=3 192 B18R3.2108 C1CN[C@H](c2ccccc21)c3ccccc3 Amb20241852 [0,0,0,1,0,0|2,0,0]=3 193 B18R3.2108 C1OC(c2ccccc2S1)c3ccccc3 Amb24079286 [0,0,0,1,0,0|2,1,0]=4 194 B18R3.2108 c1ccc(cc1)C2=CCCc3c2cccc3 Amb15693427 [0,0,0,1,0,0|2,0,1]=4 195 B18R3.2108 c1ccc(cc1)C2NCCc3c2cccc3 Amb2567931 [0,0,0,1,0,0|2,0,0]=3 196 B18R3.2108 n1ccc(cc1)C2NCCc3c2cccc3 Amb2558175 [0,0,0,1,0,0|3,0,0]=4 197 B18R3.2173 C1C=CCc2ccccc2-c3ccccc31 Amb22356733 [0,0,0,1,0,0|2,0,0]=3 198 B18R3.2173 C1CCCc2ccccc2-c3ccccc31 Amb22356731 [0,0,0,1,0,0|2,0,0]=3 199 B16R2.2256 C(/C=C/c1ccccc1)c2ccccc2 Amb17779632 [0,0,0,0,1,0|1,0,1]=3 200 B16R2.2256 C(=N\Nc1ccccc1)\c2ccccc2 Amb19851492 [0,0,0,0,1,0|2,0,1]=4 201 B16R2.2256 C(CC[n+]1ccccc1)[n+]2ccccc2 Amb19388273 [0,0,0,0,1,0|3,0,0]=4 202 B16R2.2256 C(CC[n+]1ccccc1)[n+]2ccccc2 Amb22345511 [0,0,0,0,1,0|3,0,0]=4 203 B16R2.2256 C(CC[n+]1ccccc1)[n+]2ccccc2 Amb22359115 [0,0,0,0,1,0|3,0,0]=4 204 B16R2.2256 C(CNc1ccccc1)c2ccccc2 Amb21953769 [0,0,0,0,1,0|2,0,0]=3 205 B16R2.2256 C(N=Cc1ccccc1)c2cccc[n]2 Amb22461122 [0,0,0,0,1,0|2,0,1]=4 206 B16R2.2256 C(NCc1[n]ccc[n]1)c2ccccc2 Amb19028632 [0,0,0,0,1,0|3,0,0]=4 207 B16R2.2256 C(NCc1c[n][n]cc1)c2ccccc2 Amb24522448 [0,0,0,0,1,0|3,0,0]=4 208 B16R2.2256 C(NCc1c[n]c[n]c1)c2ccccc2 Amb18314258 [0,0,0,0,1,0|3,0,0]=4 209 B16R2.2256 C(NCc1c[n]cc[n]1)c2ccccc2 Amb19007299 [0,0,0,0,1,0|3,0,0]=4 210 B16R2.2256 C(NCc1c[n]ccc1)c2cc[n]cc2 Amb22283722 [0,0,0,0,1,0|3,0,0]=4 211 B16R2.2256 C(NCc1c[n]ccc1)c2ccccc2 Amb19516126 [0,0,0,0,1,0|2,0,0]=3 212 B16R2.2256 C(NCc1cc[n]c[n]1)c2ccccc2 Amb19030316 [0,0,0,0,1,0|3,0,0]=4 213 B16R2.2256 C(NCc1ccc[n][n]1)c2ccccc2 Amb25347680 [0,0,0,0,1,0|3,0,0]=4 214 B16R2.2256 C(NCc1cccc[n]1)c2cccc[n]2 Amb24085018 [0,0,0,0,1,0|3,0,0]=4 215 B16R2.2256 C(NCc1ccccc1)c2ccccc2 Amb17743700 [0,0,0,0,1,0|1,0,0]=2 216 B16R2.2256 C(NCc1ccccc1)c2ccccc2 Amb22336232 [0,0,0,0,1,0|1,0,0]=2 217 B16R2.2256 C(NNc1ccccc1)c2ccccc2 Amb24064501 [0,0,0,0,1,0|2,0,0]=3 218 B16R2.2256 C(NNc1ccccc1)c2ccccc2 Amb24064502 [0,0,0,0,1,0|2,0,0]=3 219 B16R2.2256 C(Nc1ccccc1)Nc2ccccc2 Amb10559814 [0,0,0,0,1,0|3,0,0]=4 220 B16R2.2256 C(OCc1ccccc1)c2ccccc2 Amb22229519 [0,0,0,0,1,0|0,1,0]=2 221 B16R2.2256 C(Oc1ccccc1)Oc2ccccc2 Amb22230584 [0,0,0,0,1,0|2,1,0]=4 222 B16R2.2256 C([Se]Cc1ccccc1)c2ccccc2 Amb21950938 [0,0,0,0,1,0|0,1,0]=2 223 B16R2.2256 C([SiH2]Cc1ccccc1)c2ccccc2 Amb22347055 [0,0,0,0,1,0|1,0,0]=2 224 B16R2.2256 C(\Nc1ccccc1)=N\c2ccccc2 Amb22350571 [0,0,0,0,1,0|3,0,0]=4 225 B16R2.2256 C1C=CNC=C1CNCc2ccccc2 Amb24356084 [0,0,0,0,1,0|2,0,1]=4 226 B16R2.2256 c1ccc(cc1)CCC[n+]2ccccc2 Amb10571307 [0,0,0,0,1,0|2,0,0]=3 227 B16R2.2256 c1ccc(cc1)C[NH2+]Nc2ccccc2 Amb1787065 [0,0,0,0,1,0|2,0,0]=3 228 B16R2.2256 c1ccc(cc1)C\N=C\c2cccnc2 Amb10559477 [0,0,0,0,1,0|2,0,1]=4 229 B16R2.2256 c1ccc(cc1)NCCc2ccncc2 Amb10554585 [0,0,0,0,1,0|3,0,0]=4 230 B16R2.2256 c1ccc(cc1)SCCc2cc[nH+]cc2 Amb10554577 [0,0,0,0,1,0|2,0,0]=3 231 B16R2.2256 c1ccc(cc1)SCCc2ccncc2 Amb1781056 [0,0,0,0,1,0|2,0,0]=3 232 B16R2.2256 c1ccccc1C#CNc2ccccc2 Amb24081250 [0,0,0,0,1,0|2,0,1]=4 233 B16R2.2256 c1ccccc1N=C=Nc2ccccc2 Amb20621745 [0,0,0,0,1,0|3,0,0]=4 234 B16R2.2256 c1ccccc1SN=Nc2cccc[n]2 Amb22448015 [0,0,0,0,1,0|3,0,0]=4 235 B16R2.2256 n1ccc(cc1)CCCc2ccccn2 Amb10573754 [0,0,0,0,1,0|3,0,0]=4 236 B16R2.2256 n1ccc(cc1)CCSc2ccccn2 Amb10616436 [0,0,0,0,1,0|3,0,0]=4 237 B16R2.2257 C(NCCc1cc[s]c1)c2ccccc2 Amb25834832 [0,0,0,0,1,0|3,0,0]=4 238 B16R2.2257 C(NCCc1ccccc1)c2ccc[s]2 Amb21955474 [0,0,0,0,1,0|3,0,0]=4 239 B16R2.2257 C(NCCc1ccccc1)c2ccco2 Amb21972188 [0,0,0,0,1,0|3,0,0]=4 240 B16R2.2257 C(NCCc1ccccc1)c2ccco2 Amb22291652 [0,0,0,0,1,0|3,0,0]=4 241 B16R2.2257 C(NOCc1ccccc1)c2ccc[nH]2 Amb25263224 [0,0,0,0,1,0|2,1,0]=4 242 B16R2.2257 C(OCC[n]1cccc1)c2ccccc2 Amb25846399 [0,0,0,0,1,0|2,1,0]=4 243 B16R2.2257 C(ONCc1ccc[s]1)c2ccccc2 Amb25171085 [0,0,0,0,1,0|2,1,0]=4 244 B16R2.2257 C(ONCc1cocc1)c2ccccc2 Amb25300240 [0,0,0,0,1,0|2,1,0]=4 245 B16R2.2257 c1ccc(cc1)CCNCc2ccco2 Amb1130095 [0,0,0,0,1,0|3,0,0]=4 246 B18R2.2525 C(COc1ccccc1)NCc2cccnc2 Amb17142419 [0,0,0,0,0,1|3,0,0]=4 247 B18R2.2525 C(Cc1cc[n]cc1)SCCc2cc[n]cc2 Amb19132021 [0,0,0,0,0,1|3,0,0]=4 248 B18R2.2525 C(NCC#Cc1ccccc1)c2ccccc2 Amb25341609 [0,0,0,0,0,1|2,0,1]=4 249 B18R2.2525 C(NCCCc1c[n]ccc1)c2ccccc2 Amb24747566 [0,0,0,0,0,1|3,0,0]=4 250 B18R2.2525 C(NCCNc1ccccc1)c2ccccc2 Amb24113424 [0,0,0,0,0,1|2,0,0]=3 251 B18R2.2525 C(NCCOc1cccc[n]1)c2ccccc2 Amb19920093 [0,0,0,0,0,1|3,0,0]=4 252 B18R2.2525 C(NCCSc1ccccc1)c2cc[n]cc2 Amb23912456 [0,0,0,0,0,1|3,0,0]=4 253 B18R2.2525 C(NCCSc1ccccc1)c2ccc[n]c2 Amb23912453 [0,0,0,0,0,1|3,0,0]=4 254 B18R2.2525 C(N\C=N\Cc1ccccc1)c2ccccc2 Amb24388594 [0,0,0,0,0,1|2,0,0]=3 255 B18R2.2525 C(OCCNc1cc[n]cc1)c2ccccc2 Amb25810762 [0,0,0,0,0,1|2,1,0]=4 256 B18R2.2525 C(OCCNc1cccc[n]1)c2ccccc2 Amb25264231 [0,0,0,0,0,1|2,1,0]=4 257 B18R2.2525 C(OCCNc1ccccc1)c2ccccc2 Amb25026408 [0,0,0,0,0,1|1,1,0]=3 258 B18R2.2525 C(OCCOc1c[n]ccc1)c2ccccc2 Amb25024618 [0,0,0,0,0,1|2,1,0]=4 259 B18R2.2525 C(ONCCc1cccc[n]1)c2ccccc2 Amb25026051 [0,0,0,0,0,1|2,1,0]=4 260 B18R2.2525 C(ONCCc1ccccc1)c2ccccc2 Amb25231901 [0,0,0,0,0,1|1,1,0]=3 261 B18R2.2525 C([SiH2]CCCc1ccccc1)c2ccccc2 Amb22347056 [0,0,0,0,0,1|2,0,0]=3 262 B18R2.2525 N(CCc1ccccc1)CCc2ccccc2 Amb1103723 [0,0,0,0,0,1|2,0,0]=3 263 B18R2.2525 N(CCc1ccccc1)CCc2ccccc2 Amb2119307 [0,0,0,0,0,1|2,0,0]=3 264 B18R2.2525 N(Cc1ccccc1)CNCc2ccccc2 Amb16224812 [0,0,0,0,0,1|2,0,0]=3 265 B18R2.2525 S(CCc1ccncc1)CCc2ccncc2 Amb17613502 [0,0,0,0,0,1|3,0,0]=4 266 B18R2.2525 c1ccc(cc1)CCCNCc2ccccc2 Amb2221082 [0,0,0,0,0,1|2,0,0]=3 267 B18R2.2525 c1ccc(cc1)CNC\C=C\c2ccccc2 Amb1855576 [0,0,0,0,0,1|2,0,1]=4 268 B18R2.2525 c1ccc(cc1)NCCNCc2ccccc2 Amb1086650 [0,0,0,0,0,1|2,0,0]=3 269 B18R2.2525 c1ccc(cc1)NCCNCc2ccccc2 Amb2196521 [0,0,0,0,0,1|2,0,0]=3 270 B18R2.2525 c1ccc(cc1)OCCNCc2ccccn2 Amb17142418 [0,0,0,0,0,1|3,0,0]=4 271 B17R2.143 BrC(Cc1ccccc1)Cc2ccccc2 Amb17755302 [0,1,0,0,1,0|1,0,0]=3 272 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 Amb1925683 [0,1,0,0,1,0|1,0,0]=3 273 B17R2.143 CN(Cc1cccnc1)Cc2ccccc2 Amb16228437 [0,1,0,0,1,0|2,0,0]=4 274 B17R2.143 CN(Cc1ccncc1)Cc2ccccc2 Amb11033417 [0,1,0,0,1,0|2,0,0]=4 275 B17R2.143 CN(Sc1ccccc1)Sc2ccccc2 Amb24072756 [0,1,0,0,1,0|2,0,0]=4 276 B17R2.143 C\C(=C\c1ccccc1)\Sc2ccccc2 Amb10559175 [0,1,0,0,1,0|1,0,1]=4 277 B17R2.143 NC(Cc1ccccc1)Cc2ccccc2 Amb1114019 [0,1,0,0,1,0|1,0,0]=3 278 B17R2.143 N\C(\Cc1ccccc1)=N\c2ccccc2 Amb23569059 [0,1,0,0,1,0|2,0,0]=4 279 B17R2.143 O=C(Nc1ccccc1)Sc2ccccc2 Amb24310271 [0,1,0,0,1,0|2,0,0]=4 280 B17R2.143 O=C(Sc1ccccc1)Cc2ccccc2 Amb10575812 [0,1,0,0,1,0|1,0,0]=3 281 B17R2.143 O=P(Cc1ccccc1)Cc2ccccc2 Amb1153279 [0,1,0,0,1,0|1,0,0]=3 282 B17R2.143 OC(Cc1ccccc1)Cc2ccccc2 Amb1110031 [0,1,0,0,1,0|1,0,0]=3 283 B17R2.143 ON(Cc1ccccc1)Cc2ccccc2 Amb2226907 [0,1,0,0,1,0|1,0,0]=3 284 B17R2.143 S=C(Cc1ccccc1)Nc2ccccc2 Amb22468953 [0,1,0,0,1,0|2,0,0]=4 285 B17R2.143 [NH3+]N(Cc1ccccc1)Cc2ccccc2 Amb10555316 [0,1,0,0,1,0|1,0,0]=3 286 B17R2.143 [O-]\[N+](=C/c1ccccc1)\Cc2ccccc2 Amb2441935 [0,1,0,0,1,0|1,0,1]=4 287 B17R2.143 [O-]\[N+](\Cc1ccccc1)=C\c2ccccc2 Amb25852834 [0,1,0,0,1,0|1,0,1]=4 288 B17R2.216 Brc1c[n]c(COCc2ccccc2)cc1 Amb24517995 [0,1,0,0,1,0|1,1,0]=4 289 B17R2.216 Brc1ccc(CNCc2ccccc2)cc1 Amb22587996 [0,1,0,0,1,0|1,0,0]=3 290 B17R2.216 Brc1ccc(COCc2ccccc2)cc1 Amb19301961 [0,1,0,0,1,0|0,1,0]=3 291 B17R2.216 Brc1ccc(cc1)CNCc2ccccn2 Amb10610049 [0,1,0,0,1,0|2,0,0]=4 292 B17R2.216 Cc1ccc(CNCc2ccccc2)c[n]1 Amb19006550 [0,1,0,0,1,0|2,0,0]=4 293 B17R2.216 Cc1ccc(c[n]1)SCCc2ccccc2 Amb24084799 [0,1,0,0,1,0|2,0,0]=4 294 B17R2.216 Cc1ccc(cc1)N=NSc2ccccc2 Amb22482757 [0,1,0,0,1,0|2,0,0]=4 295 B17R2.216 Cc1ccc(cc1)SCCc2ccncc2 Amb1817799 [0,1,0,0,1,0|2,0,0]=4 296 B17R2.216 Clc1ccc(CCCc2cccc[n]2)cc1 Amb24080853 [0,1,0,0,1,0|2,0,0]=4 297 B17R2.216 Clc1ccc(CCNc2ccccc2)cc1 Amb20076438 [0,1,0,0,1,0|2,0,0]=4 298 B17R2.216 Clc1ccc(CSCc2cccc[n]2)c[n]1 Amb21984720 [0,1,0,0,1,0|2,0,0]=4 299 B17R2.216 Clc1ccc(\C=N\Cc2ccccc2)cc1 Amb24074074 [0,1,0,0,1,0|1,0,1]=4 300 B17R2.216 Clc1ccc(cc1)CNCc2ccncc2 Amb1923364 [0,1,0,0,1,0|2,0,0]=4 301 B17R2.216 Fc1ccc(CNCc2cccc[n]2)cc1 Amb22588076 [0,1,0,0,1,0|2,0,0]=4 302 B17R2.216 Fc1ccc(cc1)SCCc2ccccn2 Amb1805494 [0,1,0,0,1,0|2,0,0]=4 303 B17R2.216 Fc1ccc(cc1)SCCc2ccncc2 Amb1790776 [0,1,0,0,1,0|2,0,0]=4 304 B17R2.216 Fc1ccc(cc1)SCSc2ccccc2 Amb1147742 [0,1,0,0,1,0|2,0,0]=4 305 B17R2.216 Ic1ccc(cc1)OCCc2ccccc2 Amb20669160 [0,1,0,0,1,0|1,1,0]=4 306 B17R2.216 Nc1c[n]c(CNCc2ccccc2)cc1 Amb25177762 [0,1,0,0,1,0|2,0,0]=4 307 B17R2.216 Nc1ccc(C=NCc2ccccc2)cc1 Amb24065813 [0,1,0,0,1,0|1,0,1]=4 308 B17R2.216 Nc1ccc(CNCc2ccccc2)cc1 Amb19009749 [0,1,0,0,1,0|1,0,0]=3 309 B17R2.216 Nc1ccc(COCc2ccccc2)c[n]1 Amb18309407 [0,1,0,0,1,0|1,1,0]=4 310 B17R2.216 Nc1ccc(\C=N\Cc2ccccc2)cc1 Amb24613877 [0,1,0,0,1,0|1,0,1]=4 311 B17R2.216 Nc1ccc(cc1)CCCc2ccccc2 Amb13952637 [0,1,0,0,1,0|1,0,0]=3 312 B17R2.216 Nc1ccc(cc1)COCc2ccccc2 Amb1138750 [0,1,0,0,1,0|0,1,0]=3 313 B17R2.216 Nc1ccc(cc1)NCCc2ccccc2 Amb1103721 [0,1,0,0,1,0|2,0,0]=4 314 B17R2.216 Nc1ccc(cc1)OCCc2ccccc2 Amb1112778 [0,1,0,0,1,0|1,1,0]=4 315 B17R2.216 Oc1c[n]c(CNCc2ccccc2)cc1 Amb25196623 [0,1,0,0,1,0|2,0,0]=4 316 B17R2.216 Oc1ccc(C=NCc2ccccc2)cc1 Amb24100982 [0,1,0,0,1,0|1,0,1]=4 317 B17R2.216 Oc1ccc(COCc2ccccc2)cc1 Amb25319925 [0,1,0,0,1,0|0,1,0]=3 318 B17R2.216 Oc1ccc(cc1)NCCc2ccccc2 Amb19374629 [0,1,0,0,1,0|2,0,0]=4 319 B17R2.2342 CC(CCc1ccccc1)c2ccccc2 Amb23437762 [0,1,0,0,1,0|1,0,0]=3 320 B17R2.2342 CC(NCc1ccccc1)c2ccccc2 Amb21959684 [0,1,0,0,1,0|1,0,0]=3 321 B17R2.2342 CC(c1ccccc1)NCc2ccncc2 Amb1551290 [0,1,0,0,1,0|2,0,0]=4 322 B17R2.2342 CC(c1ccccc1)[NH2+]Cc2ccccc2 Amb10558679 [0,1,0,0,1,0|1,0,0]=3 323 B17R2.2342 CN(c1ccccc1)CCc2ccccc2 Amb10557083 [0,1,0,0,1,0|2,0,0]=4 324 B17R2.2342 CN(c1ccccc1)CCc2ccccc2 Amb10557088 [0,1,0,0,1,0|2,0,0]=4 325 B17R2.2342 C[C@@H](NCc1cccc[n]1)c2ccccc2 Amb24310410 [0,1,0,0,1,0|2,0,0]=4 326 B17R2.2342 C[C@@H](NCc1ccccc1)c2cc[n]cc2 Amb25177752 [0,1,0,0,1,0|2,0,0]=4 327 B17R2.2342 C[C@@H](NCc1ccccc1)c2cccc[n]2 Amb24571608 [0,1,0,0,1,0|2,0,0]=4 328 B17R2.2342 C[C@@H](c1ccccc1)\N=C\c2ccccc2 Amb10568551 [0,1,0,0,1,0|1,0,1]=4 329 B17R2.2342 C[C@H](NCc1ccccc1)c2cc[n]cc2 Amb24636634 [0,1,0,0,1,0|2,0,0]=4 330 B17R2.2342 C[C@H](NCc1ccccc1)c2ccc[n]c2 Amb25315711 [0,1,0,0,1,0|2,0,0]=4 331 B17R2.2342 C[C@H](c1ccccc1)\N=C\c2ccccc2 Amb10562653 [0,1,0,0,1,0|1,0,1]=4 332 B17R2.2342 C[SiH](CCc1ccccc1)c2ccccc2 Amb22366420 [0,1,0,0,1,0|1,1,0]=4 333 B17R2.2342 ClC(\C=C\c1ccccc1)c2ccccc2 Amb24121369 [0,1,0,0,1,0|1,0,1]=4 334 B17R2.2342 N=C(NCc1ccccc1)c2ccccc2 Amb23447124 [0,1,0,0,1,0|1,0,1]=4 335 B17R2.2342 N=C(c1ccccc1)SCc2ccccc2 Amb10559697 [0,1,0,0,1,0|0,0,1]=3 336 B17R2.2342 NC(COc1ccccc1)c2ccccc2 Amb19341662 [0,1,0,0,1,0|1,1,0]=4 337 B17R2.2342 NC(CSc1ccccc1)c2ccccc2 Amb21988447 [0,1,0,0,1,0|1,0,0]=3 338 B17R2.2342 NC(c1ccccc1)CCc2ccccc2 Amb10609173 [0,1,0,0,1,0|1,0,0]=3 339 B17R2.2342 NC(c1ccccc1)COc2ccccc2 Amb1139757 [0,1,0,0,1,0|1,1,0]=4 340 B17R2.2342 N[C@@H](CCc1ccccc1)c2ccccc2 Amb19889812 [0,1,0,0,1,0|1,0,0]=3 341 B17R2.2342 O=C(c1ccccc1)CCc2ccccc2 Amb2228399 [0,1,0,0,1,0|1,0,1]=4 342 B17R2.2342 O=C(c1ccccc1)SCc2ccccc2 Amb1394994 [0,1,0,0,1,0|0,0,1]=3 343 B17R2.2342 O=C(c1ccccn1)SCc2ccccc2 Amb10573015 [0,1,0,0,1,0|1,0,1]=4 344 B17R2.2342 O=S(NCc1ccccc1)c2ccccc2 Amb24073620 [0,1,0,0,1,0|1,0,1]=4 345 B17R2.2342 OC(C#Cc1ccccc1)c2ccccc2 Amb22047807 [0,1,0,0,1,0|1,0,1]=4 346 B17R2.2342 OC(COc1ccccc1)c2ccccc2 Amb22479800 [0,1,0,0,1,0|1,1,0]=4 347 B17R2.2342 OC(CSc1ccccc1)c2ccccc2 Amb21988442 [0,1,0,0,1,0|1,0,0]=3 348 B17R2.2342 OC(c1ccccc1)CCc2ccncc2 Amb10573982 [0,1,0,0,1,0|2,0,0]=4 349 B17R2.2342 OC(c1ccccc1)CNc2ccccc2 Amb17140784 [0,1,0,0,1,0|2,0,0]=4 350 B17R2.2342 S=C(SCc1ccccc1)c2ccccc2 Amb22270141 [0,1,0,0,1,0|0,0,1]=3 351 B17R2.2342 S=C(c1ccccc1)NCc2ccccc2 Amb1212595 [0,1,0,0,1,0|1,0,1]=4 352 B17R2.3956 Brc1[n]cccc1CNCc2ccccc2 Amb25706168 [0,1,0,0,1,0|2,0,0]=4 353 B17R2.3956 Brc1[n]cccc1COCc2ccccc2 Amb24719674 [0,1,0,0,1,0|1,1,0]=4 354 B17R2.3956 Brc1cc[n]cc1COCc2ccccc2 Amb24096989 [0,1,0,0,1,0|1,1,0]=4 355 B17R2.3956 Brc1ccccc1CSCc2ccccc2 Amb22275157 [0,1,0,0,1,0|0,0,0]=2 356 B17R2.3956 Brc1ccccc1N=NSc2ccccc2 Amb22448014 [0,1,0,0,1,0|2,0,0]=4 357 B17R2.3956 Brc1ccccc1\C=N\Cc2ccccc2 Amb25134019 [0,1,0,0,1,0|1,0,1]=4 358 B17R2.3956 Cc1[n]cccc1CNCc2ccccc2 Amb18657352 [0,1,0,0,1,0|2,0,0]=4 359 B17R2.3956 Cc1[n]cccc1COCc2ccccc2 Amb24448929 [0,1,0,0,1,0|1,1,0]=4 360 B17R2.3956 Cc1c[n]ccc1CNCc2ccccc2 Amb24737122 [0,1,0,0,1,0|2,0,0]=4 361 B17R2.3956 Cc1cc[n]cc1CNCc2ccccc2 Amb25196455 [0,1,0,0,1,0|2,0,0]=4 362 B17R2.3956 Cc1ccc[n]c1CNCc2ccccc2 Amb21955244 [0,1,0,0,1,0|2,0,0]=4 363 B17R2.3956 Cc1ccccc1CCNc2ccccc2 Amb20076456 [0,1,0,0,1,0|2,0,0]=4 364 B17R2.3956 Cc1ccccc1CNCc2ccccn2 Amb15702952 [0,1,0,0,1,0|2,0,0]=4 365 B17R2.3956 Cc1ccccc1N=NSc2ccccc2 Amb22482758 [0,1,0,0,1,0|2,0,0]=4 366 B17R2.3956 Cc1cccnc1CNCc2ccccc2 Amb13949059 [0,1,0,0,1,0|2,0,0]=4 367 B17R2.3956 Clc1[n]cccc1CNCc2ccccc2 Amb25372702 [0,1,0,0,1,0|2,0,0]=4 368 B17R2.3956 Clc1c[n]ccc1CNCc2ccccc2 Amb24740481 [0,1,0,0,1,0|2,0,0]=4 369 B17R2.3956 Clc1ccccc1CCCc2cccc[n]2 Amb24080850 [0,1,0,0,1,0|2,0,0]=4 370 B17R2.3956 Clc1ccccc1CNCc2cccnc2 Amb2159583 [0,1,0,0,1,0|2,0,0]=4 371 B17R2.3956 Fc1[n]cccc1CNCc2ccccc2 Amb25319478 [0,1,0,0,1,0|2,0,0]=4 372 B17R2.3956 Fc1c[n]ccc1CNCc2ccccc2 Amb25827748 [0,1,0,0,1,0|2,0,0]=4 373 B17R2.3956 Fc1ccccc1CNCc2cccnc2 Amb2225479 [0,1,0,0,1,0|2,0,0]=4 374 B17R2.3956 Ic1ccccc1CNCc2ccccc2 Amb24643604 [0,1,0,0,1,0|1,0,0]=3 375 B17R2.3956 Nc1[n]cccc1CNCc2ccccc2 Amb25295612 [0,1,0,0,1,0|2,0,0]=4 376 B17R2.3956 Nc1[n]cccc1COCc2ccccc2 Amb18311837 [0,1,0,0,1,0|1,1,0]=4 377 B17R2.3956 Nc1c[n]ccc1CNCc2ccccc2 Amb22751233 [0,1,0,0,1,0|2,0,0]=4 378 B17R2.3956 Nc1ccc[n]c1CNCc2ccccc2 Amb24645795 [0,1,0,0,1,0|2,0,0]=4 379 B17R2.3956 Nc1ccccc1CNCc2ccccc2 Amb19010879 [0,1,0,0,1,0|1,0,0]=3 380 B17R2.3956 Nc1ccccc1NCCc2ccccc2 Amb12720 [0,1,0,0,1,0|2,0,0]=4 381 B17R2.3956 Nc1ccccc1OCCc2ccccc2 Amb1112568 [0,1,0,0,1,0|1,1,0]=4 382 B17R2.3956 O=C1C=CC=CN1COCc2ccccc2 Amb24388022 [0,1,0,0,1,0|1,1,0]=4 383 B17R2.3956 O=C1C=CNC=C1CNCc2ccccc2 Amb25110816 [0,1,0,0,1,0|2,0,0]=4 384 B17R2.3956 Oc1ccccc1C=NSc2ccccc2 Amb22450772 [0,1,0,0,1,0|1,0,1]=4 385 B17R2.3956 Oc1ccccc1CNCc2ccccc2 Amb1860437 [0,1,0,0,1,0|1,0,0]=3 386 B17R2.3956 Oc1ccccc1CNCc2ccccn2 Amb1838601 [0,1,0,0,1,0|2,0,0]=4 387 B17R2.3956 Oc1ccccc1C\C=C\c2ccccc2 Amb1806020 [0,1,0,0,1,0|1,0,1]=4 388 B17R2.5301 Brc1c[n]cc(CNCc2ccccc2)c1 Amb24074232 [0,1,0,0,1,0|2,0,0]=4 389 B17R2.5301 Brc1cc(CNCc2ccccc2)ccc1 Amb22588026 [0,1,0,0,1,0|1,0,0]=3 390 B17R2.5301 Brc1cc(COCc2ccccc2)cc[n]1 Amb24689435 [0,1,0,0,1,0|1,1,0]=4 391 B17R2.5301 Brc1cc(COCc2ccccc2)ccc1 Amb22234444 [0,1,0,0,1,0|0,1,0]=3 392 B17R2.5301 Cc1cc(CNCc2ccccc2)[n]cc1 Amb25129352 [0,1,0,0,1,0|2,0,0]=4 393 B17R2.5301 Cc1cccc(c1)CNCc2ccccc2 Amb1833778 [0,1,0,0,1,0|1,0,0]=3 394 B17R2.5301 Cc1cccc(c1)CNCc2ccccn2 Amb15702953 [0,1,0,0,1,0|2,0,0]=4 395 B17R2.5301 Cc1cccc(n1)CNCc2ccccc2 Amb13949058 [0,1,0,0,1,0|2,0,0]=4 396 B17R2.5301 Clc1c[n]cc(CNCc2ccccc2)c1 Amb24693119 [0,1,0,0,1,0|2,0,0]=4 397 B17R2.5301 Clc1cc(COCc2ccccc2)[n]cc1 Amb25770727 [0,1,0,0,1,0|1,1,0]=4 398 B17R2.5301 Clc1cc(COCc2ccccc2)ccc1 Amb24092698 [0,1,0,0,1,0|0,1,0]=3 399 B17R2.5301 Clc1cc(ccc1)N=NSc2ccccc2 Amb22448009 [0,1,0,0,1,0|2,0,0]=4 400 B17R2.5301 Clc1cccc(c1)CNCc2ccccc2 Amb1923462 [0,1,0,0,1,0|1,0,0]=3 401 B17R2.5301 Clc1cccc(c1)CNCc2ccccn2 Amb1838736 [0,1,0,0,1,0|2,0,0]=4 402 B17R2.5301 Clc1cccc(c1)CNCc2ccncc2 Amb1923502 [0,1,0,0,1,0|2,0,0]=4 403 B17R2.5301 Fc1c[n]cc(CNCc2ccccc2)c1 Amb25259721 [0,1,0,0,1,0|2,0,0]=4 404 B17R2.5301 Fc1cccc(CNCc2ccccc2)[n]1 Amb25372705 [0,1,0,0,1,0|2,0,0]=4 405 B17R2.5301 Nc1cc(CCCc2ccccc2)cc[n]1 Amb24094447 [0,1,0,0,1,0|2,0,0]=4 406 B17R2.5301 Nc1cc(CNCc2ccccc2)ccc1 Amb19009748 [0,1,0,0,1,0|1,0,0]=3 407 B17R2.5301 Nc1cc(COCc2ccccc2)[n]cc1 Amb25357204 [0,1,0,0,1,0|1,1,0]=4 408 B17R2.5301 Nc1cc(COCc2ccccc2)cc[n]1 Amb18311838 [0,1,0,0,1,0|1,1,0]=4 409 B17R2.5301 Nc1cccc(CNCc2ccccc2)[n]1 Amb25273236 [0,1,0,0,1,0|2,0,0]=4 410 B17R2.5301 Nc1cccc(c1)CCCc2ccccc2 Amb13952732 [0,1,0,0,1,0|1,0,0]=3 411 B17R2.5301 Nc1cccc(c1)OCCc2ccccc2 Amb1119309 [0,1,0,0,1,0|1,1,0]=4 412 B17R2.5301 Nc1cccc(c1)OCCc2ccccc2 Amb2111108 [0,1,0,0,1,0|1,1,0]=4 413 B17R2.5301 O=C1C=C(CNCc2ccccc2)C=CN1 Amb25208874 [0,1,0,0,1,0|2,0,0]=4 414 B19R2.4361 Brc1cc(ccc1)OCCSCc2ccccc2 Amb22265923 [0,1,0,0,0,1|1,0,0]=3 415 B19R2.4361 Brc1cccc(c1)CNCCOc2ccccc2 Amb17184796 [0,1,0,0,0,1|2,0,0]=4 416 B19R2.4361 Cc1cc(ccc1)NCCNCc2ccccc2 Amb20080610 [0,1,0,0,0,1|2,0,0]=4 417 B19R2.4361 Cc1cc(ccc1)OCCNCc2ccccc2 Amb18537150 [0,1,0,0,0,1|2,0,0]=4 418 B19R2.4361 Cc1cccc(c1)CNCCOc2ccccc2 Amb17159116 [0,1,0,0,0,1|2,0,0]=4 419 B19R2.4361 Clc1cc(ccc1)NCCNCc2ccccc2 Amb20080242 [0,1,0,0,0,1|2,0,0]=4 420 B19R2.4361 Nc1cc(CCNCCc2ccccc2)ccc1 Amb18550393 [0,1,0,0,0,1|2,0,0]=4 421 B19R2.4484 Brc1ccccc1OCCOCc2ccccc2 Amb21856647 [0,1,0,0,0,1|1,1,0]=4 422 B19R2.4484 Cc1ccccc1CNCCOc2ccccc2 Amb17159115 [0,1,0,0,0,1|2,0,0]=4 423 B19R2.4484 Cc1ccccc1OCCNCc2ccccc2 Amb17159118 [0,1,0,0,0,1|2,0,0]=4 424 B19R2.4484 Clc1ccccc1CCCNCc2ccccc2 Amb20077543 [0,1,0,0,0,1|2,0,0]=4 425 B19R2.4484 Clc1ccccc1CNCCNc2ccccc2 Amb20139142 [0,1,0,0,0,1|2,0,0]=4 426 B19R2.4484 Clc1ccccc1CNCCOc2ccccc2 Amb17163925 [0,1,0,0,0,1|2,0,0]=4 427 B19R2.4484 Clc1ccccc1NCCNCc2ccccc2 Amb20139167 [0,1,0,0,0,1|2,0,0]=4 428 B19R2.4484 Clc1ccccc1OCCNCc2ccccc2 Amb17163928 [0,1,0,0,0,1|2,0,0]=4 429 B19R2.4484 Fc1ccccc1CNCCOc2ccccc2 Amb17159741 [0,1,0,0,0,1|2,0,0]=4 430 B19R2.4484 Fc1ccccc1CNCCSc2ccccc2 Amb23912457 [0,1,0,0,0,1|2,0,0]=4 431 B19R2.4484 Fc1ccccc1NCCNCc2ccccc2 Amb20140256 [0,1,0,0,0,1|2,0,0]=4 432 B19R2.4484 Fc1ccccc1OCCNCc2ccccc2 Amb10608681 [0,1,0,0,0,1|2,0,0]=4 433 B19R2.4484 Fc1ccccc1OCCNCc2ccccc2 Amb22588049 [0,1,0,0,0,1|2,0,0]=4 434 B19R2.4484 Nc1ccccc1CNCCCc2ccccc2 Amb24023314 [0,1,0,0,0,1|2,0,0]=4 435 B19R2.4484 Nc1ccccc1CNCCOc2ccccc2 Amb24022289 [0,1,0,0,0,1|2,0,0]=4 436 B19R2.8899 CC(NCCNc1ccccc1)c2ccccc2 Amb20139093 [0,1,0,0,0,1|2,0,0]=4 437 B19R2.8899 CC(c1ccccc1)CNCCc2ccccc2 Amb2119308 [0,1,0,0,0,1|2,0,0]=4 438 B19R2.8899 CN(CCNCc1ccccc1)c2ccccc2 Amb20140248 [0,1,0,0,0,1|2,0,0]=4 439 B19R2.8899 NC(CCCCc1ccccc1)c2ccccc2 Amb20629765 [0,1,0,0,0,1|2,0,0]=4 440 B19R2.8899 O=C(CCOCc1ccccc1)c2ccccc2 Amb22232966 [0,1,0,0,0,1|1,1,0]=4 441 B19R2.8899 O=C(CNCCc1ccccc1)c2ccccc2 Amb17741732 [0,1,0,0,0,1|2,0,0]=4 442 B19R2.8899 O=C(NCSCc1ccccc1)c2ccccc2 Amb21953428 [0,1,0,0,0,1|1,0,1]=4 443 B19R2.8899 OC(CCCOc1ccccc1)c2ccccc2 Amb23936585 [0,1,0,0,0,1|2,0,0]=4 444 B19R2.8899 OC(c1ccccc1)CCNCc2ccccc2 Amb17348825 [0,1,0,0,0,1|2,0,0]=4 445 B19R2.8900 CC(CNCc1ccccc1)Oc2ccccc2 Amb20077508 [0,1,0,0,0,1|2,0,0]=4 446 B19R2.8900 CC(Cc1ccccc1)NCCc2ccccc2 Amb20222565 [0,1,0,0,0,1|2,0,0]=4 447 B19R2.8900 CC(Cc1ccccc1)NNCc2ccccc2 Amb22446443 [0,1,0,0,0,1|2,0,0]=4 448 B19R2.8900 CN(Cc1ccccc1)CCNc2ccccc2 Amb20080386 [0,1,0,0,0,1|2,0,0]=4 449 B19R2.8900 NC(Cc1ccccc1)=NOCc2ccccc2 Amb21299899 [0,1,0,0,0,1|1,1,0]=4 450 B19R2.8900 NC(Cc1ccccc1)CCOc2ccccc2 Amb23918155 [0,1,0,0,0,1|2,0,0]=4 451 B19R2.8900 S=C(Cc1ccccc1)NCCc2ccccc2 Amb1081951 [0,1,0,0,0,1|2,0,0]=4 452 B19R2.11855 Brc1ccc(cc1)CNCCOc2ccccc2 Amb17184797 [0,1,0,0,0,1|2,0,0]=4 453 B19R2.11855 Cc1ccc(cc1)CNCCOc2ccccc2 Amb17159117 [0,1,0,0,0,1|2,0,0]=4 454 B19R2.11855 Cc1ccc(cc1)NCCNCc2ccccc2 Amb20140124 [0,1,0,0,0,1|2,0,0]=4 455 B19R2.11855 Cc1ccc(cc1)OCCNCc2ccccc2 Amb17159119 [0,1,0,0,0,1|2,0,0]=4 456 B19R2.11855 Clc1ccc(cc1)NCCNCc2ccccc2 Amb20139241 [0,1,0,0,0,1|2,0,0]=4 457 B19R2.11855 Fc1ccc(cc1)CCNCCc2ccccc2 Amb2119728 [0,1,0,0,0,1|2,0,0]=4 458 B19R2.11855 Fc1ccc(cc1)NCCNCc2ccccc2 Amb20139520 [0,1,0,0,0,1|2,0,0]=4 459 B19R2.11855 Nc1ccc(CCNCCc2ccccc2)cc1 Amb18550350 [0,1,0,0,0,1|2,0,0]=4 460 B19R2.11855 Nc1ccc(cc1)CSCCCc2ccccc2 Amb17498293 [0,1,0,0,0,1|1,0,0]=3 461 B19R2.16162 CC(NCc1ccccc1)CCc2ccccc2 Amb2172439 [0,1,0,0,0,1|2,0,0]=4 462 B19R2.16162 CN(CCc1ccccc1)CCc2ccccc2 Amb17611744 [0,1,0,0,0,1|2,0,0]=4 463 B19R2.16162 CN(CCc1ccccc1)CCc2ccccc2 Amb22489754 [0,1,0,0,0,1|2,0,0]=4 464 B19R2.16162 NC(CCc1ccccc1)CCc2ccccc2 Amb20629669 [0,1,0,0,0,1|2,0,0]=4 465 B19R2.16162 O=C(CCc1ccccc1)CCc2ccccc2 Amb17940894 [0,1,0,0,0,1|2,0,0]=4 466 B19R2.16162 O=C(COc1ccccc1)CCc2ccccc2 Amb23954980 [0,1,0,0,0,1|2,0,0]=4 467 B19R2.16162 O=C(COc1ccccc1)NCc2ccccc2 Amb16206983 [0,1,0,0,0,1|2,0,0]=4 468 B19R2.16162 O=C(CSc1ccccc1)CCc2ccccc2 Amb23997283 [0,1,0,0,0,1|2,0,0]=4 469 B19R2.16162 O=C(CSc1ccccc1)NCc2ccccc2 Amb1211814 [0,1,0,0,0,1|2,0,0]=4 470 B19R2.16162 O=C(NCc1ccccc1)NCc2ccccc2 Amb1207241 [0,1,0,0,0,1|2,0,0]=4 471 B19R2.16162 OC(CCc1ccccc1)CCc2ccccc2 Amb20629668 [0,1,0,0,0,1|2,0,0]=4 472 B19R2.16162 [Se]=C(NCc1ccccc1)NCc2ccccc2 Amb20668673 [0,1,0,0,0,1|2,0,0]=4 473 B19R2.57 COc1ccc(CCNCc2ccccc2)cc1 Amb19959919 [0,2,0,0,0,0|2,0,0]=4 474 B19R2.286 Cc1ccc(CCC(=O)Cc2ccccc2)cc1 Amb23950707 [0,2,0,0,0,0|2,0,0]=4 475 B19R2.286 Cc1ccc(CCC(N)Cc2ccccc2)cc1 Amb23950710 [0,2,0,0,0,0|2,0,0]=4 476 B19R2.286 N=C(Nc1ccccc1)SCc2ccc(Br)cc2 Amb19665505 [0,2,0,0,0,0|2,0,0]=4 477 B19R2.286 O=C(Cc1ccccc1)NCc2ccc(cc2)N Amb17158942 [0,2,0,0,0,0|2,0,0]=4 478 B19R2.295 Cc1ccc(CNCCc2ccc(N)cc2)cc1 Amb18050947 [0,2,0,0,0,0|2,0,0]=4 479 B19R2.295 Clc1ccc(CNNCc2ccc(Cl)cc2)cc1 Amb22446442 [0,2,0,0,0,0|2,0,0]=4 480 B19R2.295 Clc1ccc(CNNCc2ccc(Cl)cc2)cc1 Amb22487371 [0,2,0,0,0,0|2,0,0]=4 481 B19R2.295 Fc1ccc(cc1)CCNCc2ccc(cc2)Cl Amb1559437 [0,2,0,0,0,0|2,0,0]=4 482 B19R2.295 Fc1ccc(cc1)CNCCc2ccc(cc2)F Amb1068535 [0,2,0,0,0,0|2,0,0]=4 483 B19R2.295 Nc1ccc(CCNCc2ccc(Cl)cc2)cc1 Amb18550367 [0,2,0,0,0,0|2,0,0]=4 484 B19R2.295 Nc1ccc(CCNCc2ccc(F)cc2)cc1 Amb18550354 [0,2,0,0,0,0|2,0,0]=4 485 B19R2.4201 OC(CSCc1cc[n]cc1)c2ccc(F)cc2 Amb22481745 [0,2,0,0,0,0|2,0,0]=4 486 B19R2.4547 Clc1ccc(c(c1)Cl)CNCCc2ccccc2 Amb1846588 [0,2,0,0,0,0|2,0,0]=4 487 B19R2.11839 Oc1cc(CCNCc2ccccc2)ccc1O Amb22751344 [0,2,0,0,0,0|2,0,0]=4 488 B19R2.11839 Oc1ccc(cc1O)CNCCc2ccccc2 Amb1837639 [0,2,0,0,0,0|2,0,0]=4 489 B19R2.11850 Brc1ccc(cc1)CNCC(c2ccccc2)O Amb1931502 [0,2,0,0,0,0|2,0,0]=4 490 B19R2.11850 CC(NCCc1ccc(N)cc1)c2ccccc2 Amb18050953 [0,2,0,0,0,0|2,0,0]=4 491 B19R2.11850 Cc1ccc(cc1)CNCC(c2ccccc2)C Amb2119967 [0,2,0,0,0,0|2,0,0]=4 492 B19R2.11850 Clc1ccc(cc1)CNCC(c2ccccc2)O Amb13957609 [0,2,0,0,0,0|2,0,0]=4 493 B19R2.11850 Fc1ccc(cc1)CNCC(c2ccccc2)O Amb1930762 [0,2,0,0,0,0|2,0,0]=4 494 B19R2.11850 Nc1ccc(cc1)CSCC(=O)c2ccccc2 Amb17498651 [0,2,0,0,0,0|1,0,1]=4 495 B19R2.11850 OC(CSCc1ccc(Cl)cc1)c2ccccc2 Amb23913081 [0,2,0,0,0,0|1,0,0]=3 496 B19R2.11850 OC(CSCc1ccc(Cl)nc1)c2ccccc2 Amb17925761 [0,2,0,0,0,0|2,0,0]=4 497 B19R2.11850 OC(CSCc1ccc(F)cc1)c2ccccc2 Amb17925898 [0,2,0,0,0,0|1,0,0]=3 498 B19R2.11854 Cc1cc(CCNCc2ccc(O)cc2)ccc1 Amb23947409 [0,2,0,0,0,0|2,0,0]=4 499 B19R2.11854 Cc1ccc(CNCCc2cc(C)ccc2)cc1 Amb23947410 [0,2,0,0,0,0|2,0,0]=4 500 B19R2.11854 Cc1ccc(CNCCc2cc(N)ccc2)cc1 Amb18550401 [0,2,0,0,0,0|2,0,0]=4 501 B19R2.11854 Nc1cc(CCNCc2ccc(Cl)cc2)ccc1 Amb18051006 [0,2,0,0,0,0|2,0,0]=4 502 B19R2.11854 Nc1cc(CCNCc2ccc(F)cc2)ccc1 Amb18550400 [0,2,0,0,0,0|2,0,0]=4 503 B19R2.11857 C=C(C[n+]1ccc(cc1)C)SCc2ccccc2 Amb10555380 [0,2,0,0,0,0|2,0,0]=4 504 B19R2.11857 CC(Cc1ccc(N)cc1)NCc2ccccc2 Amb18550316 [0,2,0,0,0,0|2,0,0]=4 505 B19R2.11857 CC(Cc1ccc(O)cc1)NCc2ccccc2 Amb25401853 [0,2,0,0,0,0|2,0,0]=4 506 B19R2.11857 CN(Cc1ccc(cc1)O)CCc2ccccc2 Amb11033537 [0,2,0,0,0,0|2,0,0]=4 507 B19R2.11857 NC(Cc1ccc(Cl)cc1)CCc2ccccc2 Amb23918202 [0,2,0,0,0,0|2,0,0]=4 508 B19R2.11857 O=C(Cc1ccc(cc1)Br)NCc2ccccc2 Amb1798183 [0,2,0,0,0,0|2,0,0]=4 509 B19R2.11857 O=C(Cc1ccc(cc1)C)CCc2ccccc2 Amb10564303 [0,2,0,0,0,0|2,0,0]=4 510 B19R2.11857 O=C(Cc1ccc(cc1)F)NCc2ccccc2 Amb1216124 [0,2,0,0,0,0|2,0,0]=4 511 B19R2.11857 O=S(Cc1ccc(Cl)cc1)CCc2ccccc2 Amb20963036 [0,2,0,0,0,0|1,0,1]=4 512 B19R2.11857 OC(Cc1ccc(Cl)cc1)CCc2ccccc2 Amb23918152 [0,2,0,0,0,0|2,0,0]=4 513 B19R2.11857 Oc1ccc(CC(=O)NCc2ccccc2)cc1 Amb18664014 [0,2,0,0,0,0|2,0,0]=4 514 B19R2.11857 S=C(Cc1ccc(cc1)C)NCc2ccccc2 Amb1093120 [0,2,0,0,0,0|2,0,0]=4 515 B19R2.12311 Nc1ccc(CCNCc2ccccc2Cl)cc1 Amb18550373 [0,2,0,0,0,0|2,0,0]=4 516 B19R2.12311 Nc1ccc(CCNCc2ccccc2F)cc1 Amb18050967 [0,2,0,0,0,0|2,0,0]=4 517 B19R2.3967 CN\C(=N\c1ccccc1)\SCc2ccccc2 Amb22261556 [0,2,0,0,0,0|2,0,0]=4 518 B19R2.4385 CN(Cc1cc(N)ccc1)CCc2ccccc2 Amb25409046 [0,2,0,0,0,0|2,0,0]=4 519 B19R2.4385 Cc1cc(CS(=O)CCc2ccccc2)ccc1 Amb20963045 [0,2,0,0,0,0|1,0,1]=4 520 B19R2.4385 O=C(Cc1cc(Cl)ccc1)NCc2ccccc2 Amb20234628 [0,2,0,0,0,0|2,0,0]=4 521 B19R2.4385 O=C(Cc1cccc(c1)N)NCc2ccccc2 Amb17048853 [0,2,0,0,0,0|2,0,0]=4 522 B19R2.4385 O=C(Nc1cccc(F)c1)SCc2ccccc2 Amb22360083 [0,2,0,0,0,0|2,0,0]=4 523 B19R2.4385 O=S(Cc1cc(Cl)ccc1)CCc2ccccc2 Amb20963041 [0,2,0,0,0,0|1,0,1]=4 524 B19R2.4385 Oc1cc(CC(=O)NCc2ccccc2)ccc1 Amb25379209 [0,2,0,0,0,0|2,0,0]=4 525 B19R2.4482 CC(Cc1ccccc1)NCc2ccccc2F Amb20222574 [0,2,0,0,0,0|2,0,0]=4 526 B19R2.4482 CC(Cc1ccccc1)NCc2ccccc2O Amb12465 [0,2,0,0,0,0|2,0,0]=4 527 B19R2.4482 O=C(Cc1ccccc1)NCc2ccccc2Br Amb2134769 [0,2,0,0,0,0|2,0,0]=4 528 B19R2.4482 O=C(Cc1ccccc1)NCc2ccccc2F Amb1244074 [0,2,0,0,0,0|2,0,0]=4 529 B19R2.4485 Cc1ccccc1CS(=O)CCc2ccccc2 Amb20963034 [0,2,0,0,0,0|1,0,1]=4 530 B19R2.4485 O=C(Cc1ccccc1Br)NCc2ccccc2 Amb16206867 [0,2,0,0,0,0|2,0,0]=4 531 B19R2.4485 O=C(Cc1ccccc1Br)OCc2ccccc2 Amb22491622 [0,2,0,0,0,0|1,1,0]=4 532 B19R2.4485 O=C(Cc1ccccc1F)NCc2ccccc2 Amb2296910 [0,2,0,0,0,0|2,0,0]=4 533 B19R2.4485 O=S(Cc1ccccc1F)CCc2ccccc2 Amb20963033 [0,2,0,0,0,0|1,0,1]=4 534 B19R2.8924 C=C(Cc1ccccc1)C(=C)Cc2ccccc2 Amb22347880 [0,2,0,0,0,0|2,0,0]=4 535 B19R2.8924 CC(Cc1ccccc1)N(C)Cc2ccccc2 Amb22054408 [0,2,0,0,0,0|2,0,0]=4 536 B19R2.8924 O=C(Cc1ccccc1)C(=O)Cc2ccccc2 Amb17777122 [0,2,0,0,0,0|2,0,0]=4 537 B19R2.8929 CN(CC(c1ccccc1)C)Cc2ccccc2 Amb1851166 [0,2,0,0,0,0|2,0,0]=4 538 B19R2.8929 CN(CC(c1ccccc1)Cl)Cc2ccccc2 Amb17546776 [0,2,0,0,0,0|2,0,0]=4 539 B19R2.8929 CN(CC(c1ccccc1)O)Cc2ccccc2 Amb10814879 [0,2,0,0,0,0|2,0,0]=4 540 B19R2.16158 CC(C(=O)NCc1ccccc1)c2ccccc2 Amb22523679 [0,2,0,0,0,0|2,0,0]=4 541 B19R2.16158 CC(NCc1ccccc1)C(O)c2ccccc2 Amb18604518 [0,2,0,0,0,0|2,0,0]=4 542 B19R2.16158 ClC(c1ccccc1)C(=O)NCc2ccccc2 Amb1106148 [0,2,0,0,0,0|2,0,0]=4 543 B19R2.16158 N[C@@H](C(=O)NCc1ccccc1)c2ccccc2 Amb18015030 [0,2,0,0,0,0|2,0,0]=4 544 B19R2.16158 N[C@@H](C(=O)OCc1ccccc1)c2ccccc2 Amb22748905 [0,2,0,0,0,0|1,1,0]=4 545 B19R2.16158 O=C(OCc1ccccc1)C(Cl)c2ccccc2 Amb22346869 [0,2,0,0,0,0|1,1,0]=4 546 B19R2.3387 COc1ccccc1CNCCc2ccccc2 Amb21953768 [0,2,0,0,0,0|2,0,0]=4 547 B19R2.3387 COc1ccccc1CNCCc2ccccc2 Amb22304810 [0,2,0,0,0,0|2,0,0]=4 548 B19R2.4481 Cc1ccccc1CCNC(C)c2ccccc2 Amb20077670 [0,2,0,0,0,0|2,0,0]=4 549 B19R2.4481 Cc1ccccc1CSCC(=O)c2ccccc2 Amb22266404 [0,2,0,0,0,0|1,0,1]=4 550 B19R2.4481 Nc1ccccc1CNCC(O)c2ccccc2 Amb24023344 [0,2,0,0,0,0|2,0,0]=4 551 B19R2.4481 OC(CSCc1ccccc1F)c2ccccc2 Amb17925894 [0,2,0,0,0,0|1,0,0]=3 552 B19R2.4539 Clc1ccc(c(c1)CNCCc2ccccc2)O Amb1841792 [0,2,0,0,0,0|2,0,0]=4 553 B19R2.5666 O=C(c1ccccc1Br)CSCc2ccccc2 Amb15282 [0,2,0,0,0,0|1,0,1]=4 554 B19R2.5666 OC(c1ccccc1F)CNCc2ccccc2 Amb17159760 [0,2,0,0,0,0|2,0,0]=4 555 B19R2.47945 Cc1cc(CCNCc2ccccc2Br)ccc1 Amb23947421 [0,2,0,0,0,0|2,0,0]=4 556 B19R2.47945 Cc1cc(CCNCc2ccccc2N)ccc1 Amb24023410 [0,2,0,0,0,0|2,0,0]=4 557 B19R2.47945 Nc1cc(CCNCc2ccccc2Cl)ccc1 Amb18550431 [0,2,0,0,0,0|2,0,0]=4 558 B19R2.47945 Nc1cc(CCNCc2ccccc2F)ccc1 Amb18550427 [0,2,0,0,0,0|2,0,0]=4 559 B19R2.47945 Nc1ccccc1CNCCc2cc(F)ccc2 Amb24023347 [0,2,0,0,0,0|2,0,0]=4 560 B19R2.47945 Oc1cccc(c1)CNCCc2ccccc2F Amb13965163 [0,2,0,0,0,0|2,0,0]=4 561 B19R2.50166 Cc1ccccc1CCNCc2ccccc2Cl Amb20138713 [0,2,0,0,0,0|2,0,0]=4 562 B19R2.50166 Nc1ccccc1CCCCc2ccccc2N Amb17777456 [0,2,0,0,0,0|2,0,0]=4 563 B19R2.50166 Nc1ccccc1CCCCc2ccccc2N Amb17777457 [0,2,0,0,0,0|2,0,0]=4 564 B19R2.50166 Nc1ccccc1CCCCc2ccccc2N Amb2385376 [0,2,0,0,0,0|2,0,0]=4 565 B19R2.50166 Nc1ccccc1CCOCc2ccccc2Cl Amb23950002 [0,2,0,0,0,0|1,1,0]=4 566 B19R2.906 COc1cc(CNCCc2ccccc2)ccc1 Amb22587962 [0,2,0,0,0,0|2,0,0]=4 567 B19R2.906 COc1cccc(c1)CCNCc2ccccc2 Amb17159109 [0,2,0,0,0,0|2,0,0]=4 568 B19R2.4102 Clc1cc(CNCCc2ccccc2)cc(Cl)c1 Amb23918519 [0,2,0,0,0,0|2,0,0]=4 569 B19R2.4369 CC(NCCc1cccc(N)c1)c2ccccc2 Amb18550404 [0,2,0,0,0,0|2,0,0]=4 570 B19R2.4369 Cc1cc(CCNC(C)c2ccccc2)ccc1 Amb23947418 [0,2,0,0,0,0|2,0,0]=4 571 B19R2.4369 Clc1cccc(c1)CNCC(c2ccccc2)O Amb1931497 [0,2,0,0,0,0|2,0,0]=4 572 B19R2.4369 Clc1cccc(c1)CNCC(c2ccccc2)O Amb2114280 [0,2,0,0,0,0|2,0,0]=4 573 B19R2.4369 OC(CSCc1cccc(F)c1)c2ccccc2 Amb17925818 [0,2,0,0,0,0|1,0,0]=3 574 B19R2.4394 Cc1cccc(c1)C(CNCc2ccccc2)O Amb17159141 [0,2,0,0,0,0|2,0,0]=4 575 B19R2.4394 O[C@@H](CNCc1ccccc1)c2cc(Cl)ccc2 Amb24107573 [0,2,0,0,0,0|2,0,0]=4 576 B19R2.2116 COC(CNCc1ccccc1)c2ccccc2 Amb25401363 [0,2,0,0,0,0|2,0,0]=4 577 B19R2.2116 N#CC(CSCc1ccccc1)c2ccccc2 Amb23988928 [0,2,0,0,0,0|1,0,0]=3 578 B19R2.2116 N#CC(NCCc1ccccc1)c2ccccc2 Amb22736570 [0,2,0,0,0,0|2,0,0]=4 579 B19R2.2116 N#CC(c1ccccc1)NCCc2ccccc2 Amb17043573 [0,2,0,0,0,0|2,0,0]=4 580 B19R2.8898 CC(NCC(O)c1ccccc1)c2ccccc2 Amb17913019 [0,2,0,0,0,0|2,0,0]=4 581 B19R2.8898 CC(c1ccccc1)CNC(c2ccccc2)C Amb2119244 [0,2,0,0,0,0|2,0,0]=4 582 B19R2.8898 ClC(CCC(Cl)c1ccccc1)c2ccccc2 Amb22364684 [0,2,0,0,0,0|2,0,0]=4 583 B19R2.8898 NC(CCC(N)c1ccccc1)c2ccccc2 Amb23560198 [0,2,0,0,0,0|2,0,0]=4 584 B19R2.8898 O=C(c1ccccc1)SSC(=O)c2ccccc2 Amb1930736 [0,2,0,0,0,0|0,0,2]=4 585 B19R2.8898 OC(c1ccccc1)CNC(c2ccccc2)C Amb23161 [0,2,0,0,0,0|2,0,0]=4 586 B19R2.8898 S=C(c1ccccc1)SSC(=S)c2ccccc2 Amb16186709 [0,2,0,0,0,0|0,0,2]=4 587 B19R2.49526 CC(O)(CCCc1ccccc1)c2ccccc2 Amb17778026 [0,2,0,0,0,0|2,0,0]=4 588 B17R3.8 C1C=C(c2ccccc12)c3ccccc3 Amb17778883 [0,0,0,1,1,0|1,0,1]=4 589 B17R3.8 C1NC(c2cc[n]cc21)c3ccccc3 Amb18188884 [0,0,0,1,1,0|2,0,0]=4 590 B17R3.8 c1ccc(cc1)C2OCc3c2cccc3 Amb2582551 [0,0,0,1,1,0|0,1,0]=3 591 B17R3.8 c1ccc(cc1)c2csc3c2cccc3 Amb10571529 [0,0,0,1,1,0|1,0,1]=4 592 B17R3.8 c1cccc2C(C=Cc21)c3ccccc3 Amb20240702 [0,0,0,1,1,0|1,0,1]=4 593 B17R3.1927 N1[C@H]([C@H]1c2ccccc2)c3ccccc3 Amb16202744 [0,0,0,1,1,0|1,0,0]=3 594 B17R3.1927 c1ccc(cc1)C2=NC2c3ccccc3 Amb16202549 [0,0,0,1,1,0|1,0,1]=4 595 B17R3.1939 C(C1Cc2ccccc12)c3ccccc3 Amb17778868 [0,0,0,1,1,0|1,0,0]=3 596 B17R3.1963 C1CNc2ccccc2-c3ccccc31 Amb19375172 [0,0,0,1,1,0|2,0,0]=4 597 B17R3.1963 c1ccc2c(c1)c3ccccc3CNC2 Amb13952599 [0,0,0,1,1,0|1,0,0]=3 598 B19R3.25 c1ccc(cc1)N2CCSC2c3ccccc3 Amb1771751 [0,0,0,1,0,1|1,0,0]=3 599 B19R3.28 C(C1[NH2+]CCc2ccccc12)c3ccccc3 Amb17779194 [0,0,0,1,0,1|2,0,0]=4 600 B19R3.28 C(c1ccccc1)N2CCNc3ccccc23 Amb24064488 [0,0,0,1,0,1|2,0,0]=4 601 B19R3.28 c1ccc(cc1)CC2=CCCc3c2cccc3 Amb10559872 [0,0,0,1,0,1|2,0,0]=4 602 B19R3.28 c1ccc(cc1)CC2CCCc3c2cccc3 Amb10559824 [0,0,0,1,0,1|2,0,0]=4 603 B19R3.28 c1ccc(cc1)CC2NCCc3c2cccc3 Amb1254530 [0,0,0,1,0,1|2,0,0]=4 604 B19R3.28 c1ccc(cc1)CN2CCNc3c2cccc3 Amb2383684 [0,0,0,1,0,1|2,0,0]=4 605 B19R3.28 c1ccc(cc1)CN2CCOc3c2cccc3 Amb10845505 [0,0,0,1,0,1|2,0,0]=4 606 B19R3.28 c1ccc(cc1)SC2CCCc3c2cccc3 Amb10559916 [0,0,0,1,0,1|2,0,0]=4 607 B19R3.2368 C(NC1CC1c2ccccc2)c3ccccc3 Amb24333946 [0,0,0,1,0,1|2,0,0]=4 608 B19R3.2368 C(Oc1ccccc1)C2CC2c3ccccc3 Amb23537945 [0,0,0,1,0,1|2,0,0]=4 609 B19R3.2370 C(NC1COc2ccccc21)c3ccccc3 Amb24432341 [0,0,0,1,0,1|2,0,0]=4 610 B19R3.2370 C(Nc1[s][n]c2ccccc21)c3ccccc3 Amb24333530 [0,0,0,1,0,1|2,0,0]=4 611 B19R3.2382 C(NCC1Cc2ccccc21)c3ccccc3 Amb25025881 [0,0,0,1,0,1|2,0,0]=4 612 B19R3.2384 C1SC(=Nc2ccccc2)N1c3ccccc3 Amb22450750 [0,0,0,1,0,1|2,0,0]=4 613 B19R3.19220 C1COc2ccccc2C(N1)c3ccccc3 Amb17991284 [0,0,0,1,0,1|2,0,0]=4 614 B19R3.19220 c1ccc(cc1)C2CNCCc3c2cccc3 Amb1823958 [0,0,0,1,0,1|2,0,0]=4 615 B19R3.421 Clc1ccc(cc1)C2OCCc3ccccc32 Amb24069204 [0,1,0,1,0,0|1,1,0]=4 616 B19R3.421 Fc1ccc(cc1)C2NCCc3ccccc32 Amb22395007 [0,1,0,1,0,0|2,0,0]=4 617 B19R3.421 Nc1ccc(cc1)C2OCCc3c2cccc3 Amb13951690 [0,1,0,1,0,0|1,1,0]=4 618 B19R3.434 Nc1ccc(cc1)CN2CCc3c2cccc3 Amb1128741 [0,1,0,1,0,0|2,0,0]=4 619 B19R3.4066 Brc1ccc2CCNC(c2c1)c3ccccc3 Amb22496552 [0,1,0,1,0,0|2,0,0]=4 620 B19R3.4066 Cc1ccc2CNCC(c2c1)c3ccccc3 Amb22751936 [0,1,0,1,0,0|2,0,0]=4 621 B19R3.288 CC1Cc2ccccc2N1Cc3ccccc3 Amb24069298 [0,1,0,1,0,0|2,0,0]=4 622 B19R3.346 CN1CCc2ccccc2C1c3ccccc3 Amb24065737 [0,1,0,1,0,0|2,0,0]=4 623 B19R3.346 O=C1NCc2ccccc2C1c3ccccc3 Amb24104680 [0,1,0,1,0,0|2,0,0]=4 624 B19R3.19215 C(C1Cc2ccccc2CN1)c3ccccc3 Amb22475909 [0,1,0,1,0,0|2,0,0]=4 625 B19R3.19215 C(c1ccccc1)N2Cc3ccccc3CC2 Amb24081140 [0,1,0,1,0,0|2,0,0]=4 626 B19R3.19215 c1ccc(cc1)CN2CCc3c(C2)cccc3 Amb1831774 [0,1,0,1,0,0|2,0,0]=4 627 B19R3.19215 c1ccc(cc1)NC2=Nc3c(CS2)cccc3 Amb1103999 [0,1,0,1,0,0|2,0,0]=4 628 B19R3.19255 C(ON1Cc2ccccc2C1)c3ccccc3 Amb24721617 [0,1,0,1,0,0|1,1,0]=4 629 B19R3.19255 c1ccc(cc1)CSc2nc3c(o2)cccc3 Amb1397104 [0,1,0,1,0,0|2,0,0]=4 630 B19R3.19273 C(c1ccccc1)N2CC(C2)c3ccccc3 Amb22494747 [0,1,0,1,0,0|2,0,0]=4 631 B19R3.97 Nc1ccccc1C2NCCc3ccccc32 Amb22750080 [0,1,0,1,0,0|2,0,0]=4 632 B19R3.8184 Nc1cccc2c1CCN2Cc3ccccc3 Amb25283329 [0,1,0,1,0,0|2,0,0]=4 633 B19R3.19286 C1NCC(Cc2ccccc21)c3ccccc3 Amb23511996 [0,1,0,1,0,0|2,0,0]=4 634 B19R3.99 Brc1cc2CCN(Cc3ccccc3)c2cc1 Amb24466683 [0,1,0,1,0,0|2,0,0]=4 635 B19R3.99 Nc1ccc2c(c1)CCN2Cc3ccccc3 Amb10609948 [0,1,0,1,0,0|2,0,0]=4 636 B19R3.102 Clc1cc2CCNC(c2cc1)c3ccccc3 Amb25661985 [0,1,0,1,0,0|2,0,0]=4 637 B19R3.8309 Brc1cccc2CCN(Cc3ccccc3)c21 Amb25369531 [0,1,0,1,0,0|2,0,0]=4 638 B19R3.8309 Nc1cccc2CCN(Cc3ccccc3)c21 Amb24673667 [0,1,0,1,0,0|2,0,0]=4 639 B19R3.9780 Brc1cccc(CN2CCc3ccccc23)c1 Amb17669833 [0,1,0,1,0,0|2,0,0]=4 640 B19R3.150373 Clc1cccc2CCNC(c21)c3ccccc3 Amb25662007 [0,1,0,1,0,0|2,0,0]=4 641 B19R3.27 C1C(CCC1c2ccccc2)c3ccccc3 Amb24063575 [0,1,0,1,0,0|2,0,0]=4 642 B19R3.27 C1C[C@@H](N[C@H]1c2ccccc2)c3ccccc3 Amb22367651 [0,1,0,1,0,0|2,0,0]=4 643 B19R3.27 C1NC(CC1c2ccccc2)c3ccccc3 Amb18134437 [0,1,0,1,0,0|2,0,0]=4 644 B19R3.27 C1[NH2+]C(CC1c2ccccc2)c3ccccc3 Amb17843502 [0,1,0,1,0,0|2,0,0]=4 645 B19R3.27 C1[NH2+]C(CC1c2ccccc2)c3ccccc3 Amb17843503 [0,1,0,1,0,0|2,0,0]=4 646 B19R3.9008 OC1CCC(c2c1cccc2)c3ccccc3 Amb16207443 [0,1,0,1,0,0|2,0,0]=4 647 B19R3.17443 NC1CN(Cc2ccccc2)c3ccccc31 Amb22585607 [0,1,0,1,0,0|2,0,0]=4 648 B19R3.17443 NC1CN(c2c1cccc2)Cc3ccccc3 Amb2383571 [0,1,0,1,0,0|2,0,0]=4 649 B19R3.60044 CC1(CNCc2c1cccc2)c3ccccc3 Amb2371995 [0,1,0,1,0,0|2,0,0]=4 650 B19R3.60044 CC1(NCCc2ccccc12)c3ccccc3 Amb25661996 [0,1,0,1,0,0|2,0,0]=4 651 B19R4.2067 C1C(C2Cc3ccccc23)c4ccccc14 Amb17844017 [0,0,0,2,0,0|2,0,0]=4 652 B15R2.2195 C(C[n+]1cc[n]cc1)c2ccccc2 Amb21994466 [0,0,0,0,2,0|2,0,0]=4 653 B15R2.2195 C(Cc1c[n]ccc1)c2cc[n]cc2 Amb24094246 [0,0,0,0,2,0|2,0,0]=4 654 B15R2.2195 C(Cc1ccc[n][n]1)c2ccccc2 Amb25100907 [0,0,0,0,2,0|2,0,0]=4 655 B15R2.2195 C(Cc1ccccc1)c2ccccc2 Amb17678850 [0,0,0,0,2,0|0,0,0]=2 656 B15R2.2195 C(Cc1ccccc1)c2ccccc2 Amb17917322 [0,0,0,0,2,0|0,0,0]=2 657 B15R2.2195 C(Nc1cc[n]cc1)c2ccccc2 Amb24073614 [0,0,0,0,2,0|2,0,0]=4 658 B15R2.2195 C(Nc1ccc[n]c1)c2ccccc2 Amb22586367 [0,0,0,0,2,0|2,0,0]=4 659 B15R2.2195 C(Nc1cccc[n]1)c2ccccc2 Amb24081169 [0,0,0,0,2,0|2,0,0]=4 660 B15R2.2195 C(Nc1ccccc1)c2cc[n]cc2 Amb19422430 [0,0,0,0,2,0|2,0,0]=4 661 B15R2.2195 C(Nc1ccccc1)c2cccc[n]2 Amb19429071 [0,0,0,0,2,0|2,0,0]=4 662 B15R2.2195 C(Oc1ccc[n]c1)c2ccccc2 Amb21927728 [0,0,0,0,2,0|1,1,0]=4 663 B15R2.2195 C(Oc1ccccc1)c2cccc[n]2 Amb24445950 [0,0,0,0,2,0|1,1,0]=4 664 B15R2.2195 C(Oc1ccccc1)c2ccccc2 Amb24097492 [0,0,0,0,2,0|0,1,0]=3 665 B15R2.2195 C(Sc1cc[n]cc1)c2cccc[n]2 Amb25184010 [0,0,0,0,2,0|2,0,0]=4 666 B15R2.2195 C(Sc1ccc[n][n]1)c2ccccc2 Amb25785634 [0,0,0,0,2,0|2,0,0]=4 667 B15R2.2195 C(Sc1cccc[n]1)c2cc[n]cc2 Amb25776849 [0,0,0,0,2,0|2,0,0]=4 668 B15R2.2195 C([SiH2]c1ccccc1)c2ccccc2 Amb22347054 [0,0,0,0,2,0|0,1,0]=3 669 B15R2.2195 c1[n]cccc1SSc2c[n]ccc2 Amb22002419 [0,0,0,0,2,0|2,0,0]=4 670 B15R2.2195 c1cc[n+](cc1)CC[n+]2ccccc2 Amb10564539 [0,0,0,0,2,0|2,0,0]=4 671 B15R2.2195 c1cc[n+](cc1)CC[n+]2ccccc2 Amb13777239 [0,0,0,0,2,0|2,0,0]=4 672 B15R2.2195 c1cc[n+](cc1)CC[n+]2ccccc2 Amb2221672 [0,0,0,0,2,0|2,0,0]=4 673 B15R2.2195 c1cc[n+](cc1)CSc2ccccc2 Amb10554235 [0,0,0,0,2,0|1,0,0]=3 674 B15R2.2195 c1cc[n+](cc1)CSc2ccccc2 Amb10568955 [0,0,0,0,2,0|1,0,0]=3 675 B15R2.2195 c1cc[n+](cc1)SS[n+]2ccccc2 Amb10560466 [0,0,0,0,2,0|2,0,0]=4 676 B15R2.2195 c1ccc(cc1)CC[n+]2ccccc2 Amb10554479 [0,0,0,0,2,0|1,0,0]=3 677 B15R2.2195 c1ccc(cc1)CC[n+]2ccccc2 Amb10568958 [0,0,0,0,2,0|1,0,0]=3 678 B15R2.2195 c1ccc(cc1)CCc2nccnc2 Amb15695191 [0,0,0,0,2,0|2,0,0]=4 679 B15R2.2195 c1ccc(cc1)CN[n+]2ccccc2 Amb10554256 [0,0,0,0,2,0|2,0,0]=4 680 B15R2.2195 c1ccc(cc1)CNc2ccccn2 Amb1087875 [0,0,0,0,2,0|2,0,0]=4 681 B15R2.2195 c1ccc(cc1)CNc2cccnc2 Amb2383000 [0,0,0,0,2,0|2,0,0]=4 682 B15R2.2195 c1ccc(cc1)COc2ccccn2 Amb16191945 [0,0,0,0,2,0|1,1,0]=4 683 B15R2.2195 c1ccc(cc1)COc2ccncc2 Amb10603750 [0,0,0,0,2,0|1,1,0]=4 684 B15R2.2195 c1ccc(cc1)CSc2ccncc2 Amb10554224 [0,0,0,0,2,0|1,0,0]=3 685 B15R2.2195 c1ccc(cc1)CSc2ncccn2 Amb1263972 [0,0,0,0,2,0|2,0,0]=4 686 B15R2.2195 c1ccc(cc1)SCc2cccnc2 Amb10632429 [0,0,0,0,2,0|1,0,0]=3 687 B15R2.2195 c1ccc(cc1)\C=C/c2ccccc2 Amb16192901 [0,0,0,0,2,0|0,0,2]=4 688 B15R2.2195 c1ccc(cc1)\N=N/c2ccccc2 Amb10843899 [0,0,0,0,2,0|2,0,0]=4 689 B15R2.2195 c1ccc(nc1)CC[n+]2ccccc2 Amb10573733 [0,0,0,0,2,0|2,0,0]=4 690 B15R2.2195 c1ccc(nc1)SCc2cccnc2 Amb10710736 [0,0,0,0,2,0|2,0,0]=4 691 B15R2.2195 c1ccc(nc1)SSc2ccccn2 Amb2573305 [0,0,0,0,2,0|2,0,0]=4 692 B15R2.2195 c1ccccc1\C=C\c2ccccc2 Amb18511865 [0,0,0,0,2,0|0,0,2]=4 693 B15R2.2196 C(NCc1ccc[nH]1)c2ccccc2 Amb19075885 [0,0,0,0,2,0|2,0,0]=4 694 B15R2.2196 C(NCc1ccc[s]1)c2ccccc2 Amb24121220 [0,0,0,0,2,0|2,0,0]=4 695 B15R2.2196 C(NCc1cocc1)c2ccccc2 Amb19006886 [0,0,0,0,2,0|2,0,0]=4 696 B15R2.2196 C(NCc1cocc1)c2ccccc2 Amb25026786 [0,0,0,0,2,0|2,0,0]=4 697 B15R2.2196 C(OC[n]1cccc1)c2ccccc2 Amb24359086 [0,0,0,0,2,0|1,1,0]=4 698 B15R2.2196 C(SCc1c[n]c[nH]1)c2ccccc2 Amb20248320 [0,0,0,0,2,0|2,0,0]=4 699 B19R2.2628 C(CNCCNc1ccccc1)c2ccccc2 Amb20139095 [0,0,0,0,0,2|2,0,0]=4 700 B19R2.2628 C(CNc1ccccc1)CCOc2ccccc2 Amb17307119 [0,0,0,0,0,2|2,0,0]=4 701 B19R2.2628 C(COc1ccccc1)CCSc2ccccc2 Amb2430844 [0,0,0,0,0,2|2,0,0]=4 702 B19R2.2628 C(COc1ccccc1)CNCc2ccccc2 Amb17308714 [0,0,0,0,0,2|2,0,0]=4 703 B19R2.2628 C(CSc1ccccc1)CCSc2ccccc2 Amb2430861 [0,0,0,0,0,2|2,0,0]=4 704 B19R2.2628 C(NCCNCc1ccccc1)c2ccccc2 Amb21962135 [0,0,0,0,0,2|2,0,0]=4 705 B19R2.2628 C(NCCOCc1ccccc1)c2ccccc2 Amb24334480 [0,0,0,0,0,2|1,1,0]=4 706 B19R2.2628 C(SC#CSCc1ccccc1)c2ccccc2 Amb22362014 [0,0,0,0,0,2|0,0,0]=2 707 B19R2.2628 N(CCc1ccccc1)CCCc2ccccc2 Amb2092660 [0,0,0,0,0,2|2,0,0]=4 708 B19R2.2628 N(CCc1ccccc1)CCOc2ccccc2 Amb1242731 [0,0,0,0,0,2|2,0,0]=4