0 B20R2.174735 O=C(CCc1ccccc1)NCCc2ccccc2 Amb6879409 [0,0,0,0,0,0|1,0,2]=3 1 B20R2.174735 O=C(CNCc1ccccc1)OCc2ccccc2 Amb27208450 [0,0,0,0,0,0|3,0,1]=4 2 B20R2.174735 O=C(CNc1ccccc1)NCCc2ccccc2 Amb10672204 [0,0,0,0,0,0|2,0,1]=3 3 B20R2.174735 O=C(COCc1ccccc1)OCc2ccccc2 Amb17608937 [0,0,0,0,0,0|3,0,1]=4 4 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 Amb2456829 [0,0,0,0,0,0|2,0,1]=3 5 B20R2.174735 O=C(NCCc1cccnc1)OCc2ccccc2 Amb24337420 [0,0,0,0,0,0|3,0,1]=4 6 B20R2.174735 O=C(NCc1ccccc1)NOCc2ccccc2 Amb10690326 [0,0,0,0,0,0|3,0,1]=4 7 B20R2.174735 O=C(NOCc1ccccc1)OCc2ccccc2 Amb27759444 [0,0,0,0,0,0|3,0,1]=4 8 B20R2.174735 O=C(\C=C\c1ccccc1)NCCc2cncnc2 Amb23603441 [0,0,0,0,0,0|3,0,0]=3 9 B20R2.174735 O=C(\C=C\c1ccccc1)OCCc2ccccc2 Amb4030100 [0,0,0,0,0,0|0,0,0]=0 10 B20R2.174735 S=C(NCCc1ccccc1)NCc2ccccc2 Amb2684668 [0,0,0,0,0,0|2,1,1]=4 11 B19R2.2628 C(=C\c1ccccc1)/CNCCc2ccccc2 Amb6455814 [1,0,0,0,0,0|1,0,1]=3 12 B21R2.4848 Nc1ccccc1SCC(=O)NCCc2ccccc2 Amb8876080 [0,1,0,0,0,0|2,0,1]=4 13 B21R2.4852 Cc1ccccc1CCNC(=O)OCc2ccccc2 Amb28201269 [0,1,0,0,0,0|2,0,1]=4 14 B21R2.4852 O=C(NCCc1ccccc1Br)OCc2ccccc2 Amb26388608 [0,1,0,0,0,0|2,0,1]=4 15 B21R2.18995 Nc1ccc(SCC(=O)NCCc2ccccc2)cc1 Amb8930222 [0,1,0,0,0,0|2,0,1]=4 16 B21R2.19000 O=C(CCc1ccccc1)NCCc2ccc(O)cc2 Amb11440517 [0,1,0,0,0,0|1,0,2]=4 17 B21R2.19000 O=C(NCCc1ccc(Br)cc1)OCc2ccccc2 Amb26853131 [0,1,0,0,0,0|2,0,1]=4 18 B21R2.19000 O=C(NCCc1ccc(O)cc1)OCc2ccccc2 Amb22410844 [0,1,0,0,0,0|2,0,1]=4 19 B21R2.19000 O=C(\C=C\c1ccccc1)NCCc2ccc(O)cc2 Amb5799189 [0,1,0,0,0,0|1,0,0]=2 20 B21R2.27923 NC(CNC(=O)OCc1ccccc1)c2ccccc2 Amb22388922 [0,1,0,0,0,0|2,0,1]=4 21 B21R2.27923 N[C@@H](CNC(=O)OCc1ccccc1)c2ccccc2 Amb33718550 [0,1,0,0,0,0|2,0,1]=4 22 B21R2.27923 N[C@H](CNC(=O)OCc1ccccc1)c2ccccc2 Amb16233362 [0,1,0,0,0,0|2,0,1]=4 23 B21R2.27923 N[C@H](CNC(=O)OCc1ccccc1)c2ccccc2 Amb33875003 [0,1,0,0,0,0|2,0,1]=4 24 B21R2.27923 O=C(NC[C@H](O)c1ccccc1)OCc2ccccc2 Amb2612576 [0,1,0,0,0,0|2,0,1]=4 25 B21R2.27923 O=C(\C=C\c1ccccc1)OCC(=O)c2ccccc2 Amb6453820 [0,1,0,0,0,0|0,0,1]=2 26 B21R2.257667 C\C(=C/c1ccccc1)C(=O)C\C=N\c2ccccc2 Amb21858927 [0,1,0,0,0,0|2,0,1]=4 27 B21R2.257667 C\C(=C/c1ccccc1)C(=O)\C=C\Nc2ccccc2 Amb22015222 [0,1,0,0,0,0|2,0,1]=4 28 B21R3.240 O=C1C=C(c2ccccc2)C(c3ccccc3)=CN1 Amb28645628 [0,0,0,1,0,0|1,0,2]=4 29 B21R3.240 O=C1C=C(c2ccccc2)C(c3ccccc3)=NN1 Amb28238217 [0,0,0,1,0,0|2,0,1]=4 30 B21R3.2808 O=C(CCc1ccccc1)N2CCc3ccccc32 Amb6344217 [0,0,0,1,0,0|1,0,2]=4 31 B21R3.2808 O=C(CNc1ccccc1)N2CCc3ccccc32 Amb13970991 [0,0,0,1,0,0|2,0,1]=4 32 B21R3.2808 O=C(COc1ccccc1)N2CCc3ccccc32 Amb6346818 [0,0,0,1,0,0|2,0,1]=4 33 B21R3.2808 O=C(NCc1ccccc1)N2CCc3ccccc32 Amb13974571 [0,0,0,1,0,0|2,0,1]=4 34 B21R3.18178 O=C1CC(c2ccccc2)C(Cc3ccccc3)N1 Amb33140948 [0,0,0,1,0,0|1,0,2]=4 35 B21R3.22167 O=C1C=Cc2ccccc2N1OCc3ccccc3 Amb25821319 [0,0,0,1,0,0|2,0,0]=3 36 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 Amb2660640 [0,0,0,0,1,0|2,0,0]=3 37 B19R2.8900 O=C(Cc1ccccc1)NCCc2ccccc2 Amb2720817 [0,0,0,0,1,0|1,0,1]=3 38 B19R2.8900 O=C(NOCc1ccccc1)Nc2ccccc2 Amb2818944 [0,0,0,0,1,0|3,0,0]=4 39 B19R2.16162 C=C(\C=C/c1ccccc1)\C=C\c2ccccc2 Amb22232073 [0,0,0,0,1,0|1,0,2]=4 40 B19R2.16162 C=C(\C=C/c1ccccc1)\C=C\c2ccccc2 Amb33716627 [0,0,0,0,1,0|1,0,2]=4 41 B19R2.16162 O=C(CCc1ccccc1)CCc2ccccc2 Amb17940894 [0,0,0,0,1,0|0,0,2]=3 42 B19R2.16162 O=C(CCc1ccccc1)CCc2ccccc2 Amb33719267 [0,0,0,0,1,0|0,0,2]=3 43 B19R2.16162 O=C(CCc1ccccc1)NNc2ccccc2 Amb2775788 [0,0,0,0,1,0|2,0,0]=3 44 B19R2.16162 O=C(COc1ccccc1)NCc2ccccc2 Amb6346392 [0,0,0,0,1,0|2,0,1]=4 45 B19R2.16162 O=C(NCc1ccccc1)NCc2ccccc2 Amb1207241 [0,0,0,0,1,0|2,0,1]=4 46 B19R2.16162 O=C(NCc1ccccc1)OCc2ccccc2 Amb5290122 [0,0,0,0,1,0|1,0,1]=3 47 B19R2.16162 O=C(NNc1ccccc1)OCc2ccccc2 Amb3987371 [0,0,0,0,1,0|2,0,0]=3 48 B19R2.16162 O=C(OCc1ccccc1)OCc2ccccc2 Amb4013588 [0,0,0,0,1,0|1,0,1]=3 49 B19R2.16162 O=C(\C=C\c1ccccc1)NCc2ccccc2 Amb576830 [0,0,0,0,1,0|1,0,0]=2 50 B19R2.16162 O=C(\C=C\c1ccccc1)NNc2ccccc2 Amb4081015 [0,0,0,0,1,0|2,0,0]=3 51 B19R2.16162 O=C(\C=C\c1ccccc1)OCc2ccccc2 Amb3097391 [0,0,0,0,1,0|0,0,0]=1 52 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb33716479 [0,0,0,0,1,0|0,0,2]=3 53 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb534881 [0,0,0,0,1,0|0,0,2]=3 54 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb8389264 [0,0,0,0,1,0|0,0,2]=3 55 B19R2.16162 O=C(\C=C\c1cccnc1)NCc2ccccc2 Amb10706171 [0,0,0,0,1,0|2,0,0]=3 56 B19R2.16162 O=[PH](OCc1ccccc1)OCc2ccccc2 Amb8392900 [0,0,0,0,1,0|2,0,1]=4 57 B19R2.113693 O=C(\C=C\c1cccs1)NCCc2ccncc2 Amb10880452 [0,0,0,0,1,0|3,0,0]=4 58 B21R2.257631 O=C(CCOCc1ccccc1)OCc2ccccc2 Amb26478022 [0,0,0,0,0,1|2,0,1]=4 59 B21R2.257631 O=C(CCc1ccccc1)OCCCc2ccccc2 Amb24094185 [0,0,0,0,0,1|0,0,2]=3 60 B21R2.257631 O=C(\C=C\c1ccccc1)OCCCc2ccccc2 Amb4315323 [0,0,0,0,0,1|0,0,0]=1 61 B21R2.257631 O=C(\C=C\c1ccccc1)OC\C=C\c2ccccc2 Amb533688 [0,0,0,0,0,1|0,0,1]=2 62 B21R2.257676 O=C(CCCc1ccccc1)NCCc2ccccc2 Amb6847131 [0,0,0,0,0,1|1,0,2]=4 63 B21R2.257676 O=C(NCCc1ccccc1)NCCc2ccccc2 Amb2131773 [0,0,0,0,0,1|1,0,2]=4 64 B20R2.10829 OC(CNC\C=C\c1ccccc1)c2ccccc2 Amb1931521 [1,1,0,0,0,0|1,0,1]=4 65 B20R2.15237 Fc1ccc(CCNC\C=C\c2ccccc2)cc1 Amb1923394 [1,1,0,0,0,0|1,0,1]=4 66 B20R2.15829 O=C(CCCc1ccccc1)Cc2ccc(Cl)cc2 Amb19514772 [0,1,0,0,1,0|1,0,1]=4 67 B20R2.15829 O=C(CCCc1ccccc1)Nc2ccc(F)cc2 Amb1882963 [0,1,0,0,1,0|2,0,0]=4 68 B20R2.4449 Nc1ccc(CNC(=O)OCc2ccccc2)cc1 Amb10576504 [0,1,0,0,1,0|1,0,1]=4 69 B20R2.4449 O=C(NCc1ccc(Br)cc1)OCc2ccccc2 Amb25763029 [0,1,0,0,1,0|1,0,1]=4 70 B20R2.4449 O=C(NCc1ccc(Cl)cc1)OCc2ccccc2 Amb2352729 [0,1,0,0,1,0|1,0,1]=4 71 B20R2.4658 Nc1cccc(CCC(=O)NCc2ccccc2)c1 Amb8941321 [0,1,0,0,1,0|1,0,1]=4 72 B20R2.4658 Nc1cccc(CNC(=O)OCc2ccccc2)c1 Amb19889521 [0,1,0,0,1,0|1,0,1]=4 73 B20R2.4658 Nc1cccc(CNC(=O)OCc2ccccc2)c1 Amb2685740 [0,1,0,0,1,0|1,0,1]=4 74 B20R2.4658 Nc1cccc(\C=C\C(=O)NCc2ccccc2)c1 Amb17161481 [0,1,0,0,1,0|1,0,0]=3 75 B20R2.4658 Nc1cccc(\C=C\C(=O)NCc2ccccn2)c1 Amb17161662 [0,1,0,0,1,0|2,0,0]=4 76 B20R2.4658 Nc1cccc(\C=C\C(=O)NCc2cccnc2)c1 Amb17161663 [0,1,0,0,1,0|2,0,0]=4 77 B20R2.4658 Nc1cccc(\C=C\C(=O)NCc2ccncc2)c1 Amb17161664 [0,1,0,0,1,0|2,0,0]=4 78 B20R2.4658 O=C(NCc1cccc(O)c1)OCc2ccccc2 Amb17912112 [0,1,0,0,1,0|1,0,1]=4 79 B20R2.6651 O=C(NCc1ccccc1Br)OCc2ccccc2 Amb22230260 [0,1,0,0,1,0|1,0,1]=4 80 B20R2.21596 CC(NC(=O)CCc1ccccc1)c2ccccc2 Amb1791728 [0,1,0,0,1,0|1,0,1]=4 81 B20R2.21596 CC(NC(=O)OCc1ccccc1)c2ccccc2 Amb2636975 [0,1,0,0,1,0|1,0,1]=4 82 B20R2.21596 C\C(=C\C(=O)c1ccccc1)NCc2ccccc2 Amb2386635 [0,1,0,0,1,0|2,0,0]=4 83 B20R2.21596 O=C(CC(=O)c1ccccn1)OCc2ccccc2 Amb33802225 [0,1,0,0,1,0|1,0,1]=4 84 B20R2.2714576 O=S(=O)(\C=C\c1ccccc1)NCc2ccccc2 Amb1251732 [0,1,0,0,1,0|2,0,0]=4 85 B20R2.21593 O=C(\C=C\c1ccccc1)NCC(O)c2cccs2 Amb21940478 [0,1,0,0,1,0|2,0,0]=4 86 B20R2.21593 O=C(\C=C\c1ccccc1)NCC(O)c2ccoc2 Amb21943363 [0,1,0,0,1,0|2,0,0]=4 87 B22R2.4392 Nc1ccc(NCCNC(=O)\C=C\c2ccccc2)cn1 Amb18101805 [0,1,0,0,0,1|2,0,0]=4 88 B22R2.4392 Nc1ccc(NCCNC(=O)\C=C\c2ccccc2)nc1 Amb18101685 [0,1,0,0,0,1|2,0,0]=4 89 B22R2.9164 Nc1cccnc1NCCNC(=O)\C=C\c2ccccc2 Amb18101618 [0,1,0,0,0,1|2,0,0]=4 90 B22R2.34114 O=C(\C=C\c1ccccc1)OC(=O)\C=C\c2ccccc2 Amb19515978 [0,1,0,0,0,1|0,0,2]=4 91 B22R2.518356 O=C(\C=C\c1ccc(O)c(O)c1)NCCc2ccccc2 Amb32419743 [0,2,0,0,0,0|1,0,0]=3 92 B22R2.518356 O=C(\C=C\c1ccc(O)c(O)c1)OCCc2ccccc2 Amb33512760 [0,2,0,0,0,0|0,0,0]=2 93 B22R2.22797 Cc1ccc(C(C)CCC(=O)\C=C\c2ccccc2)cc1 Amb17777947 [0,2,0,0,0,0|1,0,0]=3 94 B20R2.18233 CNc1ccccc1C(=O)OCCc2ccccc2 Amb19374241 [0,0,1,1,0,0|1,0,1]=4 95 B20R2.156507 Nc1ccc(Cl)c(C(=O)OCCc2ccccc2)c1 Amb17307895 [0,0,1,1,0,0|2,0,0]=4 96 B20R3.2718 c1ccc(Cn2nccc2-c3ccccc3)cc1 Amb27806853 [1,0,0,1,0,0|2,0,0]=4 97 B20R3.2720 c1ccc(CNc2cccc3ccccc23)cc1 Amb839001 [1,0,0,1,0,0|2,0,0]=4 98 B20R3.2720 c1ccc(COc2cccc3ccccc23)cc1 Amb6360521 [1,0,0,1,0,0|2,0,0]=4 99 B20R3.2720 c1ccc(NCc2cccc3ccccc23)cc1 Amb838169 [1,0,0,1,0,0|2,0,0]=4 100 B20R3.5586 O=C1NCC(c2ccccc2)N1c3ccccc3 Amb17409856 [0,0,0,1,1,0|2,0,0]=4 101 B20R3.5586 O=C1OCC(c2ccccc2)=C1c3ccccc3 Amb1104944 [0,0,0,1,1,0|0,0,1]=3 102 B20R3.5687 O=C1CCC(c2ccccc2)c3ccccc3N1 Amb10604273 [0,0,0,1,1,0|2,0,0]=4 103 B20R3.13142 O=C1Oc2ccccc2N1CCc3ccccc3 Amb18526128 [0,0,0,1,1,0|2,0,0]=4 104 B20R3.13142 O=C1Sc2ccccc2N1CCc3ccccc3 Amb18003964 [0,0,0,1,1,0|2,0,0]=4 105 B20R3.16085 O=C(Cc1ccccc1)OC2Cc3ccccc32 Amb17778691 [0,0,0,1,1,0|0,0,1]=3 106 B20R3.451 O=C1C=Cc2ccccc2N1Cc3ccccc3 Amb27781966 [0,0,0,1,1,0|1,0,0]=3 107 B20R3.451 O=C1OCc2ccccc2N1Cc3ccccc3 Amb2645673 [0,0,0,1,1,0|1,0,1]=4 108 B20R3.451 Oc1ccc2ccccc2c1Cc3ccccc3 Amb10558975 [0,0,0,1,1,0|0,0,2]=4 109 B20R3.11933 O=C1C=C(c2ccccc2)C(c3ccccc3)C1 Amb1934957 [0,0,0,1,1,0|0,0,0]=2 110 B20R3.11933 O=C1CC(c2ccccc2)N(c3ccccc3)N1 Amb6424133 [0,0,0,1,1,0|2,0,0]=4 111 B20R3.11933 O=C1N=C(c2ccccc2)C(c3ccccc3)N1 Amb6337794 [0,0,0,1,1,0|2,0,0]=4 112 B20R3.11933 O=C1N[C@@H](c2ccccc2)[C@@H](c3ccccc3)O1 Amb22351406 [0,0,0,1,1,0|1,0,1]=4 113 B20R3.11933 O=C1N[C@H](c2ccccc2)[C@H](c3ccccc3)O1 Amb10601669 [0,0,0,1,1,0|1,0,1]=4 114 B20R3.11933 O=C1OC(c2ccccc2)=C(c3ccccc3)O1 Amb20671994 [0,0,0,1,1,0|1,0,1]=4 115 B20R3.13355 O=C1NC(c2ccccc2)C1Cc3ccccc3 Amb33164141 [0,0,0,1,1,0|1,0,1]=4 116 B20R3.30190 c1ccc(CCc2ccc3ccccc3n2)cc1 Amb16225646 [0,0,0,1,1,0|1,0,0]=3 117 B20R3.30190 c1ccc(CNc2ccc3ccccc3c2)cc1 Amb838929 [0,0,0,1,1,0|2,0,0]=4 118 B20R3.30190 c1ccc(COc2ccc3ccccc3c2)cc1 Amb2617115 [0,0,0,1,1,0|1,0,0]=3 119 B20R3.30190 c1ccc(COc2ccc3ccncc3c2)cc1 Amb27854851 [0,0,0,1,1,0|2,0,0]=4 120 B20R3.30190 c1ccc(COc2ccc3ncccc3c2)cc1 Amb19108440 [0,0,0,1,1,0|2,0,0]=4 121 B20R3.30190 c1ccc(COc2cnc3ccccc3c2)cc1 Amb28289828 [0,0,0,1,1,0|2,0,0]=4 122 B20R3.30190 c1ccc(CSc2ccc3ccccc3n2)cc1 Amb4011980 [0,0,0,1,1,0|1,1,0]=4 123 B20R3.105088 c1ccc2cc(OCCn3cccc3)ccc2c1 Amb17253687 [0,0,0,1,1,0|2,0,0]=4 124 B22R3.63943 O=C(NCc1ccccc1)C2OCCc3ccccc32 Amb1083356 [0,0,0,1,0,1|1,0,1]=4 125 B22R3.74239 c1ccc(NCCOc2ccc3ccccc3c2)nc1 Amb17100508 [0,0,0,1,0,1|2,0,0]=4 126 B22R3.3708 c1ccc(CCNc2nc(-c3ccccc3)cs2)cc1 Amb1200949 [0,0,0,1,0,1|2,0,0]=4 127 B22R3.46963 Clc1ccc(CCNc2ccc3ccccc3n2)cc1 Amb18269935 [0,1,0,1,0,0|2,0,0]=4 128 B22R3.46963 Nc1ccc(CCOc2ccc3ccccc3c2)cc1 Amb9380885 [0,1,0,1,0,0|1,0,0]=3 129 B22R3.46963 Nc1ccc(CCOc2ccc3ncccc3c2)cc1 Amb17271026 [0,1,0,1,0,0|2,0,0]=4 130 B22R3.12687 O=C1C=C(c2ccccc2)C(O)(c3ccccc3)CC1 Amb17597240 [0,1,0,1,0,0|1,0,0]=3 131 B22R3.791519 O=C(Cc1ccccc1)Oc2ccc3ccccc3c2 Amb16765798 [0,1,0,1,0,0|1,0,1]=4 132 B22R3.31779 Nc1cccc(\C=C\C(=O)N2CCc3ccccc32)c1 Amb17164730 [0,1,0,1,0,0|1,0,0]=3 133 B22R3.36412 O=C(Cc1ccccc1)C(=O)N2CCc3ccccc32 Amb17417937 [0,1,0,1,0,0|1,0,1]=4 134 B22R3.673125 Cc1cc(NCCc2ccccc2)nc3ccccc13 Amb441928 [0,1,0,1,0,0|2,0,0]=4 135 B22R4.1440993 c1ccc2c(c1)CCN2c3ccc4ccccc4n3 Amb18452606 [0,0,0,2,0,0|2,0,0]=4 136 B18R2.2525 C(=C\c1ccccc1)/CNCc2ccccc2 Amb1855576 [1,0,0,0,1,0|1,0,1]=4 137 B18R2.2525 C(=C\c1ccccc1)/COCc2ccccc2 Amb35781860 [1,0,0,0,1,0|0,0,1]=3 138 B18R2.2429 O=C(CCc1ccccc1)Cc2ccccc2 Amb10572893 [0,0,0,0,2,0|0,0,1]=3 139 B18R2.2429 O=C(CCc1ccccc1)Nc2ccccc2 Amb6880289 [0,0,0,0,2,0|1,0,0]=3 140 B18R2.2429 O=C(CNc1ccccc1)Nc2ccccc2 Amb269743 [0,0,0,0,2,0|2,0,0]=4 141 B18R2.2429 O=C(CSc1ccccc1)Nc2ccccc2 Amb1223901 [0,0,0,0,2,0|2,0,0]=4 142 B18R2.2429 O=C(Nc1ccccc1)OCc2ccccc2 Amb5290091 [0,0,0,0,2,0|1,0,0]=3 143 B18R2.2429 O=C(OCc1ccccc1)Oc2ccccc2 Amb21963907 [0,0,0,0,2,0|1,0,0]=3 144 B18R2.7189 O=C(CCCc1ccccc1)c2ccccc2 Amb1548163 [0,0,0,0,2,0|1,0,0]=3 145 B18R2.7189 O=C(CCSc1ccccc1)c2ccccc2 Amb21984386 [0,0,0,0,2,0|2,0,0]=4 146 B18R2.7189 O=C(NCCc1ccccc1)c2ccccc2 Amb6481313 [0,0,0,0,2,0|1,0,0]=3 147 B18R2.7189 O=C(NCCc1ccccn1)c2ccccc2 Amb6285818 [0,0,0,0,2,0|2,0,0]=4 148 B18R2.7189 O=C(OCCc1ccccc1)c2ccccc2 Amb4016539 [0,0,0,0,2,0|0,0,0]=2 149 B18R2.7189 O=C(OCCc1ccccc1)c2cccnc2 Amb24081249 [0,0,0,0,2,0|1,0,0]=3 150 B18R2.11744 O=C(\C=C\c1ccco1)NCc2ccccc2 Amb6447341 [0,0,0,0,2,0|2,0,0]=4