0 B17R3.2681 c1ccc2c(c1)SCC2Cn3cccn3 Amb27825368 [0,0,0,0,0,0|4,0,0]=4 1 B17R3.2681 c1coc(CC2CNc3ccccc32)c1 Amb17236931 [0,0,0,0,0,0|4,0,0]=4 2 B17R3.2681 c1csc(CC2CNc3ccccc32)c1 Amb17242124 [0,0,0,0,0,0|4,0,0]=4 3 B18R3.1943 O=C(c1ccco1)N2CCc3ccccc32 Amb6338071 [0,1,0,0,0,0|2,0,1]=4 4 B18R3.2886 Cc1nc(Cn2cnc3ccccc32)co1 Amb33613848 [0,1,0,0,0,0|2,0,1]=4 5 B16R2.1480 CCc1ccccc1NCc2ccco2 Amb6698936 [0,0,1,0,0,0|2,0,0]=3 6 B16R2.1480 CCc1ccccc1NCc2cccs2 Amb6698933 [0,0,1,0,0,0|2,0,0]=3 7 B16R2.1480 CCc1ccccc1NCc2ccsc2 Amb6698942 [0,0,1,0,0,0|2,0,0]=3 8 B16R2.1480 CCc1ccccc1NCc2cncs2 Amb19030217 [0,0,1,0,0,0|1,0,1]=3 9 B16R2.1480 CCc1ccccc1NCc2csnn2 Amb9529116 [0,0,1,0,0,0|2,0,0]=3 10 B16R2.1480 COc1ccccc1NCc2ccco2 Amb4303796 [0,0,1,0,0,0|3,0,0]=4 11 B16R2.1480 COc1ccccc1NCc2cccs2 Amb4304321 [0,0,1,0,0,0|3,0,0]=4 12 B16R2.1480 COc1ccccc1NCc2ccsc2 Amb6688342 [0,0,1,0,0,0|3,0,0]=4 13 B16R2.1480 COc1ccccc1NCc2cncs2 Amb19030210 [0,0,1,0,0,0|2,0,1]=4 14 B16R2.1480 COc1ccccc1NCc2csnn2 Amb9529004 [0,0,1,0,0,0|3,0,0]=4 15 B16R2.1480 COc1ccccc1NCc2nccs2 Amb17341746 [0,0,1,0,0,0|3,0,0]=4 16 B16R2.1480 CSc1ccccc1NCc2ccco2 Amb9548856 [0,0,1,0,0,0|3,0,0]=4 17 B16R2.1480 CSc1ccccc1NCc2cccs2 Amb9226551 [0,0,1,0,0,0|3,0,0]=4 18 B16R2.1480 CSc1ccccc1NCc2ccsc2 Amb9548861 [0,0,1,0,0,0|3,0,0]=4 19 B16R2.1480 CSc1ccccc1NCc2cncs2 Amb19030249 [0,0,1,0,0,0|2,0,1]=4 20 B16R2.1480 CSc1ccccc1NCc2csnn2 Amb9549034 [0,0,1,0,0,0|3,0,0]=4 21 B16R2.1480 ClCc1ccccc1NCc2cncs2 Amb27586862 [0,0,1,0,0,0|2,0,1]=4 22 B16R2.1480 OCc1ccccc1NCc2ccco2 Amb9609148 [0,0,1,0,0,0|3,0,0]=4 23 B16R2.1480 OCc1ccccc1NCc2cccs2 Amb9226232 [0,0,1,0,0,0|3,0,0]=4 24 B16R2.1480 OCc1ccccc1NCc2ccsc2 Amb9609153 [0,0,1,0,0,0|3,0,0]=4 25 B16R2.1480 OCc1ccccc1NCc2cncs2 Amb18314313 [0,0,1,0,0,0|2,0,1]=4 26 B16R2.1480 OCc1ccccc1NCc2csnn2 Amb9609326 [0,0,1,0,0,0|3,0,0]=4 27 B16R2.2257 c1ccc(CCNCc2ccco2)cc1 Amb1130095 [0,0,1,0,0,0|2,0,0]=3 28 B16R2.2257 c1ccc(CCNCc2ccco2)cc1 Amb21972188 [0,0,1,0,0,0|2,0,0]=3 29 B16R2.2257 c1ccc(CCNCc2ccco2)nc1 Amb6694377 [0,0,1,0,0,0|3,0,0]=4 30 B16R2.2257 c1ccc(CCNCc2cccs2)cc1 Amb6355726 [0,0,1,0,0,0|2,0,0]=3 31 B16R2.2257 c1ccc(CCNCc2cccs2)nc1 Amb6694374 [0,0,1,0,0,0|3,0,0]=4 32 B16R2.2257 c1ccc(CCNCc2ccsc2)nc1 Amb6694384 [0,0,1,0,0,0|3,0,0]=4 33 B16R2.2257 c1ccc(CCNCc2cncs2)cc1 Amb33212689 [0,0,1,0,0,0|1,0,1]=3 34 B16R2.2257 c1ccc(CCNCc2cncs2)nc1 Amb33212687 [0,0,1,0,0,0|2,0,1]=4 35 B16R2.2257 c1ccc(CCNCc2csnn2)cc1 Amb9529090 [0,0,1,0,0,0|2,0,0]=3 36 B16R2.2257 c1ccc(CCNCc2csnn2)nc1 Amb9529082 [0,0,1,0,0,0|3,0,0]=4 37 B16R2.2257 c1ccc(CCNCc2nccs2)cc1 Amb17341156 [0,0,1,0,0,0|2,0,0]=3 38 B16R2.2257 c1ccc(CONCc2ccsc2)cc1 Amb27634704 [0,0,1,0,0,0|3,0,0]=4 39 B16R2.2257 c1ccc(CONCc2cncs2)cc1 Amb27668607 [0,0,1,0,0,0|2,0,1]=4 40 B16R2.2257 c1ccc(CONCc2cocn2)cc1 Amb27192073 [0,0,1,0,0,0|2,0,0]=3 41 B16R2.2257 c1ccc(CONCc2cscn2)cc1 Amb28141027 [0,0,1,0,0,0|2,0,0]=3 42 B16R2.2257 c1ccc(CONCc2csnn2)cc1 Amb27495725 [0,0,1,0,0,0|3,0,0]=4 43 B16R2.2257 c1coc(CNCCc2ccncc2)c1 Amb2592525 [0,0,1,0,0,0|3,0,0]=4 44 B16R3.8 c1ccc2c(c1)CCN2c3nccs3 Amb17967692 [0,0,0,0,1,0|2,0,0]=3 45 B16R3.1777 c1ccc2c(c1)CC2Cn3cccn3 Amb28383307 [0,0,0,0,1,0|3,0,0]=4 46 B16R3.1813 c1ccc2c(c1)CCN2CC3CCN3 Amb27657940 [0,0,0,0,1,0|1,0,2]=4 47 B16R3.1813 c1ccc2c(c1)CCN2CC3CNC3 Amb28409184 [0,0,0,0,1,0|0,0,3]=4 48 B18R3.11 c1ccc2c(c1)CCNC2Cc3nccs3 Amb17193965 [0,0,0,0,0,1|3,0,0]=4 49 B18R3.2098 c1ccc(CN2CCc3ccccc32)cc1 Amb10610016 [0,0,0,0,0,1|2,0,0]=3 50 B18R3.2098 c1ccc(CN2CSc3ccccc32)cc1 Amb3984940 [0,0,0,0,0,1|3,0,0]=4 51 B18R3.2098 c1cncc(CC2CNc3ccccc32)c1 Amb17240642 [0,0,0,0,0,1|3,0,0]=4 52 B18R3.36580 c1ccc2c(c1)CCN(Cc3cocn3)C2 Amb31203130 [0,0,0,0,0,1|1,0,0]=2 53 B18R3.36580 c1ccc2c(c1)CCN(Cc3ncon3)C2 Amb28511708 [0,0,0,0,0,1|2,0,0]=3 54 B15R2.4 C=C(CN)CN1CCc2ccccc21 Amb27865873 [1,0,1,0,0,0|0,0,1]=3 55 B15R2.4 C=CC(O)CN1CCc2ccccc21 Amb28455113 [1,0,1,0,0,0|1,0,1]=4 56 B15R2.4 N\C(CN1CCc2ccccc21)=N/O Amb6272092 [1,0,1,0,0,0|1,0,0]=3 57 B15R2.562 Brc1ccccc1NCc2cscn2 Amb27771339 [1,0,1,0,0,0|2,0,0]=4 58 B15R2.562 Cc1ccccc1NCc2ccco2 Amb6701130 [1,0,1,0,0,0|2,0,0]=4 59 B15R2.562 Cc1ccccc1NCc2cccs2 Amb6701127 [1,0,1,0,0,0|2,0,0]=4 60 B15R2.562 Cc1ccccc1NCc2ccsc2 Amb6701135 [1,0,1,0,0,0|2,0,0]=4 61 B15R2.562 Cc1ccccc1NCc2cnco2 Amb27756776 [1,0,1,0,0,0|1,0,1]=4 62 B15R2.562 Cc1ccccc1NCc2cncs2 Amb18996527 [1,0,1,0,0,0|1,0,1]=4 63 B15R2.562 Cc1ccccc1NCc2csnn2 Amb9529132 [1,0,1,0,0,0|2,0,0]=4 64 B15R2.562 Cc1ccccc1NCc2nccs2 Amb6286378 [1,0,1,0,0,0|2,0,0]=4 65 B15R2.562 Cc1ccncc1NCc2cscn2 Amb27392713 [1,0,1,0,0,0|2,0,0]=4 66 B15R2.562 Clc1ccccc1NCc2cocn2 Amb27418973 [1,0,1,0,0,0|2,0,0]=4 67 B15R2.562 Fc1ccccc1NCc2cscn2 Amb18972453 [1,0,1,0,0,0|2,0,0]=4 68 B15R2.562 Nc1ccccc1NCc2cocn2 Amb28347133 [1,0,1,0,0,0|2,0,0]=4 69 B17R2.6046 CCN(Cc1ccco1)c2cccc(N)c2 Amb17140960 [0,1,1,0,0,0|2,0,0]=4 70 B17R2.6046 CCN(Cc1cccs1)c2cccc(N)c2 Amb17157483 [0,1,1,0,0,0|2,0,0]=4 71 B17R2.1057 CCc1ccccc1NCc2csc(N)n2 Amb18870018 [0,1,1,0,0,0|1,0,0]=3 72 B17R2.1057 CCc1ccccc1OCc2csc(N)n2 Amb9024927 [0,1,1,0,0,0|2,0,0]=4 73 B17R2.1057 COc1ccccc1NCc2csc(N)n2 Amb18870638 [0,1,1,0,0,0|2,0,0]=4 74 B17R2.5678 CC(C)c1ccccc1NCc2ccco2 Amb6691144 [0,1,1,0,0,0|2,0,0]=4 75 B17R2.346 Cc1ccc(CCNCc2ccco2)cc1 Amb19292793 [0,1,1,0,0,0|2,0,0]=4 76 B17R2.346 Fc1ccc(CCNCc2ccco2)cc1 Amb2592335 [0,1,1,0,0,0|2,0,0]=4 77 B17R2.346 Fc1ccc(CCNCc2cccs2)cc1 Amb6689375 [0,1,1,0,0,0|2,0,0]=4 78 B17R2.346 Fc1ccc(CCNCc2nccs2)cc1 Amb17346935 [0,1,1,0,0,0|2,0,0]=4 79 B17R2.3230 Cc1ccc(CNCCc2ccccc2)o1 Amb6695472 [0,1,1,0,0,0|2,0,0]=4 80 B17R2.3230 Cc1ccc(CNCCc2ccccc2)s1 Amb1551308 [0,1,1,0,0,0|2,0,0]=4 81 B17R2.3230 Cc1cnc(CNCCc2ccccc2)s1 Amb19648816 [0,1,1,0,0,0|2,0,0]=4 82 B17R2.3230 Cn1cc(CNCCc2ccccc2)cn1 Amb31210192 [0,1,1,0,0,0|2,0,0]=4 83 B17R2.3230 Cn1ccc(CNCCc2ccccc2)n1 Amb1945485 [0,1,1,0,0,0|2,0,0]=4 84 B17R2.3230 Cn1ccc(CNCCc2ccccc2)n1 Amb31210234 [0,1,1,0,0,0|2,0,0]=4 85 B17R2.3230 Cn1cnc(CCNCc2ccccc2)c1 Amb27944693 [0,1,1,0,0,0|2,0,0]=4 86 B17R2.3230 Nc1ccc(CNCCc2ccccc2)o1 Amb18107307 [0,1,1,0,0,0|2,0,0]=4 87 B17R2.3366 Nc1cccc(CCNCc2ccco2)c1 Amb18550382 [0,1,1,0,0,0|2,0,0]=4 88 B17R2.3430 Fc1ccccc1CCNCc2cccs2 Amb6693025 [0,1,1,0,0,0|2,0,0]=4 89 B17R2.3513 Cc1ccsc1CNCCc2ccccc2 Amb1929120 [0,1,1,0,0,0|2,0,0]=4 90 B17R2.3513 Cn1cccc1CNCCc2ccccc2 Amb6352101 [0,1,1,0,0,0|1,0,1]=4 91 B17R2.3513 Cn1ccnc1CNCCc2ccccc2 Amb8831278 [0,1,1,0,0,0|2,0,0]=4 92 B17R2.5714 CC(NCCc1ccccc1)c2ccsc2 Amb19664360 [0,1,1,0,0,0|2,0,0]=4 93 B17R2.5714 CC(NCCc1ccccc1)c2cscn2 Amb19648858 [0,1,1,0,0,0|1,0,0]=3 94 B17R2.45544 OC(CNCc1ccco1)c2ccccc2 Amb1813017 [0,1,1,0,0,0|2,0,0]=4 95 B17R2.45544 OC(CNCc1cccs1)c2ccccc2 Amb2722211 [0,1,1,0,0,0|2,0,0]=4 96 B17R3.26 Brc1cnc(N2CCc3ccccc32)s1 Amb31159675 [0,1,0,0,1,0|2,0,0]=4 97 B17R3.26 Clc1csc(N2CCc3ccccc32)n1 Amb27882375 [0,1,0,0,1,0|2,0,0]=4 98 B17R3.26 Nc1nc(C2CCc3ccccc32)cs1 Amb33144602 [0,1,0,0,1,0|2,0,0]=4 99 B17R3.65 Nc1nonc1N2CCc3ccccc32 Amb18787035 [0,1,0,0,1,0|1,0,1]=4 100 B19R3.4206 Cc1ccc2c(c1)NCCN2Cc3ccco3 Amb31137229 [0,1,0,0,0,1|2,0,0]=4 101 B19R3.55796 Cc1ccc2c(c1)N(Cc3ccco3)CCN2 Amb31137227 [0,1,0,0,0,1|2,0,0]=4 102 B19R3.150358 Cc1cccc2c1NCCN2Cc3ccco3 Amb31137228 [0,1,0,0,0,1|2,0,0]=4 103 B19R3.99 Nc1ccc2c(c1)CCN2Cc3ccccc3 Amb10609948 [0,1,0,0,0,1|2,0,0]=4 104 B19R3.99 Nc1ccc2c(c1)CCN2Cc3ccccc3 Amb6683224 [0,1,0,0,0,1|2,0,0]=4 105 B19R3.307 Nc1ccccc1CN2CCc3ccccc32 Amb6251162 [0,1,0,0,0,1|2,0,0]=4 106 B19R3.434 Nc1ccc(CN2CCc3ccccc32)cc1 Amb1128741 [0,1,0,0,0,1|2,0,0]=4 107 B19R3.5866 Brc1ccc2c(c1)N(Cc3ccccc3)CC2 Amb28193319 [0,1,0,0,0,1|2,0,0]=4 108 B19R3.5866 Nc1ccc2c(c1)N(Cc3ccccc3)CC2 Amb6683312 [0,1,0,0,0,1|2,0,0]=4 109 B19R3.9780 Nc1cccc(CN2CCc3ccccc32)c1 Amb6243284 [0,1,0,0,0,1|2,0,0]=4 110 B19R3.2488 O=C(CN1CCc2ccccc21)c3cccs3 Amb9226240 [0,1,0,0,0,1|2,0,0]=4 111 B19R3.2488 OC(CN1CCc2ccccc21)c3ccco3 Amb17142547 [0,1,0,0,0,1|2,0,0]=4 112 B19R3.2488 OC(CN1CCc2ccccc21)c3cccs3 Amb17159805 [0,1,0,0,0,1|2,0,0]=4 113 B19R3.8809 Cn1cncc1CN2CCc3ccccc3C2 Amb31203538 [0,1,0,0,0,1|0,0,2]=4 114 B19R3.50998 Cc1nc(CN2CCc3ccccc3C2)cs1 Amb28512538 [0,1,0,0,0,1|1,0,0]=3 115 B19R3.50998 Cc1nc(CN2CCc3ccccc3C2)no1 Amb28511491 [0,1,0,0,0,1|2,0,0]=4 116 B19R3.50998 Nc1nc(CN2CCc3ccccc3C2)cs1 Amb31198497 [0,1,0,0,0,1|1,0,0]=3 117 B19R3.50998 Nc1nc(CN2CCc3ccccc3C2)cs1 Amb8190982 [0,1,0,0,0,1|1,0,0]=3 118 B19R3.50998 Nc1ncc(CN2CCc3ccccc3C2)s1 Amb17490467 [0,1,0,0,0,1|1,0,1]=4 119 B19R3.324030 O=C(c1cscn1)N2CCc3ccccc3C2 Amb16894115 [0,1,0,0,0,1|1,0,1]=4 120 B19R3.2197 NCC(c1nccs1)N2CCc3ccccc32 Amb31100213 [0,2,0,0,0,0|2,0,0]=4 121 B19R3.3782 Cc1nc(C(=O)N2CCc3ccccc32)cs1 Amb11592414 [0,2,0,0,0,0|1,0,1]=4 122 B19R3.2542 NCc1nc(CN2CCc3ccccc32)cs1 Amb17159807 [0,2,0,0,0,0|1,0,0]=3 123 B19R3.3884 Cc1nc(CN2CCc3ccccc32)oc1C Amb10663744 [0,2,0,0,0,0|2,0,0]=4 124 B17R3.8 c1ccc(N2CCc3ccccc32)nc1 Amb18452566 [0,0,1,1,0,0|1,0,1]=4 125 B17R3.8 c1ccc2c(c1)CCN2c3cncnc3 Amb17967690 [0,0,1,1,0,0|0,0,2]=4 126 B17R3.2679 c1ccc2c(c1)CCNC2c3ccsc3 Amb2795563 [0,0,1,1,0,0|2,0,0]=4 127 B17R3.2679 c1ccc2c(c1)CCNC2c3cncs3 Amb18770147 [0,0,1,1,0,0|1,0,1]=4 128 B17R3.2679 c1coc(C2NCCc3ccccc32)c1 Amb597280 [0,0,1,1,0,0|2,0,0]=4 129 B17R3.2679 c1csc(C2NCCc3ccccc32)c1 Amb2567491 [0,0,1,1,0,0|2,0,0]=4 130 B15R2.123 CCc1ccccc1Cc2cncs2 Amb28348784 [0,0,1,0,1,0|1,0,1]=4 131 B15R2.2196 c1ccc(CCNc2ccsc2)cc1 Amb28342737 [0,0,1,0,1,0|2,0,0]=4 132 B15R2.2196 c1ccc(CCNc2cnsn2)cc1 Amb24116473 [0,0,1,0,1,0|1,0,1]=4 133 B15R2.2196 c1ccc(CCNc2ncco2)cc1 Amb27957841 [0,0,1,0,1,0|2,0,0]=4 134 B15R2.2196 c1ccc(CCNc2nccs2)cc1 Amb6638097 [0,0,1,0,1,0|2,0,0]=4 135 B15R2.2196 c1ccc(CNCc2ccco2)cc1 Amb6335661 [0,0,1,0,1,0|2,0,0]=4 136 B15R2.2196 c1ccc(CNCc2ccco2)cc1 Amb6880630 [0,0,1,0,1,0|2,0,0]=4 137 B15R2.2196 c1ccc(CNCc2cccs2)cc1 Amb24121220 [0,0,1,0,1,0|2,0,0]=4 138 B15R2.2196 c1ccc(CNCc2cccs2)cc1 Amb838211 [0,0,1,0,1,0|2,0,0]=4 139 B15R2.2196 c1ccc(CNCc2ccoc2)cc1 Amb19006886 [0,0,1,0,1,0|2,0,0]=4 140 B15R2.2196 c1ccc(CNCc2cnco2)cc1 Amb19013447 [0,0,1,0,1,0|1,0,1]=4 141 B15R2.2196 c1ccc(CNCc2cncs2)cc1 Amb19030208 [0,0,1,0,1,0|1,0,1]=4 142 B15R2.2196 c1ccc(CNCc2csnn2)cc1 Amb9528993 [0,0,1,0,1,0|2,0,0]=4 143 B15R2.2196 c1ccc(CNCc2ncco2)cc1 Amb25091033 [0,0,1,0,1,0|2,0,0]=4 144 B15R2.2196 c1ccc(CNCc2nccs2)cc1 Amb22586858 [0,0,1,0,1,0|2,0,0]=4 145 B15R2.2196 c1ccc(CNCc2nccs2)cc1 Amb2693224 [0,0,1,0,1,0|2,0,0]=4 146 B17R2.162 CCN(Cc1ccccc1)c2ccccc2 Amb6357108 [0,0,1,0,0,1|2,0,0]=4 147 B17R2.262 CCc1ccccc1NCc2ccccc2 Amb6698997 [0,0,1,0,0,1|2,0,0]=4 148 B17R2.262 COc1ccccc1NCc2ccccn2 Amb6688455 [0,0,1,0,0,1|2,0,0]=4 149 B17R2.262 COc1ccccc1NCc2cccnc2 Amb6688335 [0,0,1,0,0,1|2,0,0]=4 150 B17R2.2382 c1ccc(CCNCc2ccccc2)cc1 Amb1049050 [0,0,1,0,0,1|2,0,0]=4 151 B17R2.2382 c1ccc(CCNCc2ccccc2)cc1 Amb33439 [0,0,1,0,0,1|2,0,0]=4 152 B17R2.2382 c1ccc(CCNCc2ccccn2)cc1 Amb22279533 [0,0,1,0,0,1|1,0,0]=3 153 B17R2.2382 c1ccc(CCNCc2ccccn2)cc1 Amb838410 [0,0,1,0,0,1|1,0,0]=3 154 B17R2.2382 c1ccc(CCNCc2cccnc2)cc1 Amb15740914 [0,0,1,0,0,1|1,0,0]=3 155 B17R2.2382 c1ccc(CCNCc2cccnc2)cc1 Amb33527540 [0,0,1,0,0,1|1,0,0]=3 156 B17R2.2382 c1ccc(CCNCc2cccnc2)nc1 Amb6694375 [0,0,1,0,0,1|2,0,0]=4 157 B17R2.2382 c1ccc(CCNCc2ccncc2)cc1 Amb838157 [0,0,1,0,0,1|1,0,1]=4 158 B17R2.2382 c1ccc(CONCc2cccnc2)cc1 Amb28042688 [0,0,1,0,0,1|2,0,0]=4 159 B17R2.2382 c1ccc(CONCc2ccncn2)cc1 Amb27267750 [0,0,1,0,0,1|1,0,1]=4 160 B17R2.2382 c1ccc(CONCc2cnccn2)cc1 Amb28192646 [0,0,1,0,0,1|1,0,1]=4 161 B17R2.2383 c1ccc(CCCNCc2ccco2)cc1 Amb838682 [0,0,1,0,0,1|2,0,0]=4 162 B17R2.2383 c1ccc(CCNCCc2nccs2)cc1 Amb17315500 [0,0,1,0,0,1|2,0,0]=4 163 B17R2.2383 c1ccc(OCCNCc2ccco2)cc1 Amb17141014 [0,0,1,0,0,1|2,0,0]=4 164 B19R3.28 c1ccc(CN2CCNc3ccccc32)cc1 Amb2383684 [0,0,0,0,0,2|2,0,0]=4 165 B19R3.2360 c1coc(CN2CCOc3ccccc3C2)c1 Amb31194383 [0,0,0,0,0,2|2,0,0]=4 166 B19R3.19215 c1cncc(CN2CCc3ccccc3C2)c1 Amb31195017 [0,0,0,0,0,2|1,0,0]=3 167 B19R3.62425 c1ccc2c(c1)CCN(CCn3cccn3)C2 Amb28470865 [0,0,0,0,0,2|2,0,0]=4