0 B15R2.283 BrC1CC(CC1)CCc2ccccc2 Amb24703560 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.283 Brc1[n][nH]c(CCc2ccccc2)[n]1 Amb23481532 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.283 Brc1[n][s]c(CCc2ccccc2)[n]1 Amb25703820 [0,0,0,0,0,0|3,0,1]=4 3 B15R2.283 Brc1[n]oc(CCc2ccccc2)[n]1 Amb25372989 [0,0,0,0,0,0|3,0,1]=4 4 B15R2.283 Brc1ncn(n1)CCc2ccccc2 Amb13777488 [0,0,0,0,0,0|3,0,1]=4 5 B15R2.283 C=C1COC(CCc2ccccc2)C1 Amb25183212 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.283 CC1CC(CNc2ccccc2)CO1 Amb25166836 [0,0,0,0,0,0|3,0,1]=4 7 B15R2.283 Cc1[n]c(CNc2ccccc2)[n]o1 Amb25307676 [0,0,0,0,0,0|3,0,1]=4 8 B15R2.283 Cc1[n]c(COc2ccccc2)[n]o1 Amb25708048 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.283 Cc1c[s]c(CCc2ccccc2)[n]1 Amb24448646 [0,0,0,0,0,0|3,0,1]=4 10 B15R2.283 Cc1cc[n](CCc2ccccc2)[n]1 Amb24348125 [0,0,0,0,0,0|3,0,1]=4 11 B15R2.283 Clc1[n][n](CCc2ccccc2)c[n]1 Amb19861223 [0,0,0,0,0,0|3,0,1]=4 12 B15R2.283 Clc1[n]c(COc2ccccc2)[n]o1 Amb24681945 [0,0,0,0,0,0|3,0,1]=4 13 B15R2.283 Clc1[n]c(CSc2ccccc2)[n]o1 Amb25098909 [0,0,0,0,0,0|3,0,1]=4 14 B15R2.283 Clc1[n]oc(CCc2ccccc2)[n]1 Amb25372990 [0,0,0,0,0,0|3,0,1]=4 15 B15R2.283 Clc1cc(CCc2ccccc2)[n]o1 Amb25363904 [0,0,0,0,0,0|3,0,1]=4 16 B15R2.283 Clc1ncn(n1)CCc2ccccc2 Amb19134567 [0,0,0,0,0,0|3,0,1]=4 17 B15R2.283 Ic1[n][s]c(CCc2ccccc2)[n]1 Amb24681766 [0,0,0,0,0,0|3,0,1]=4 18 B15R2.283 Ic1[n]oc(CCc2ccccc2)[n]1 Amb25094227 [0,0,0,0,0,0|3,0,1]=4 19 B15R2.283 N=C1[CH-][N+](CCc2ccccc2)=NO1 Amb19775573 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.283 N=C1[CH-][N+](CCc2ccccc2)=NO1 Amb21876268 [0,0,0,0,0,0|3,0,1]=4 21 B15R2.283 NC1=NC(CCc2c[n]ccc2)CS1 Amb24393487 [0,0,0,0,0,0|1,1,0]=2 22 B15R2.283 NC1=NC(CCc2ccccc2)CO1 Amb25376590 [0,0,0,0,0,0|0,0,0]=0 23 B15R2.283 NC1=NC(CNc2ccccc2)CO1 Amb25804113 [0,0,0,0,0,0|1,0,0]=1 24 B15R2.283 NC1=NCC(COc2ccccc2)O1 Amb24652587 [0,0,0,0,0,0|3,0,0]=3 25 B15R2.283 NC1=NCC(CSc2ccccc2)S1 Amb24348684 [0,0,0,0,0,0|3,0,0]=3 26 B15R2.283 NC1=NCC(O1)CSc2ccccc2 Amb17595588 [0,0,0,0,0,0|3,0,0]=3 27 B15R2.283 NC1=N[C@@H](CNc2ccccc2)CO1 Amb25814903 [0,0,0,0,0,0|1,0,0]=1 28 B15R2.283 NC1=N[C@H](CCc2cc[n]cc2)CS1 Amb25709723 [0,0,0,0,0,0|1,1,0]=2 29 B15R2.283 NC1CC(CC1)CCc2ccccc2 Amb25756853 [0,0,0,0,0,0|2,0,1]=3 30 B15R2.283 NC1CC(CC1)CNc2ccccc2 Amb24425639 [0,0,0,0,0,0|3,0,1]=4 31 B15R2.283 NC1CC(CC1)SCc2ccccc2 Amb25092218 [0,0,0,0,0,0|3,0,1]=4 32 B15R2.283 NN1CC(CC1)OCc2ccccc2 Amb24522590 [0,0,0,0,0,0|4,0,0]=4 33 B15R2.283 N[C@H]1C[C@@H](CC1)OCc2ccccc2 Amb24553827 [0,0,0,0,0,0|3,0,1]=4 34 B15R2.283 Nc1[nH]c(CCc2ccccc2)c[n]1 Amb22749786 [0,0,0,0,0,0|1,0,3]=4 35 B15R2.283 Nc1[nH]nc(n1)CCc2ccccc2 Amb10607718 [0,0,0,0,0,0|2,0,1]=3 36 B15R2.283 Nc1[n][n](CCc2ccccc2)[n][n]1 Amb25664160 [0,0,0,0,0,0|3,0,0]=3 37 B15R2.283 Nc1[n][n](CCc2ccccc2)c[n]1 Amb19747703 [0,0,0,0,0,0|2,0,1]=3 38 B15R2.283 Nc1[n][n](c[n]1)OCc2ccccc2 Amb24651882 [0,0,0,0,0,0|3,0,1]=4 39 B15R2.283 Nc1[n][s]c(CCc2cccc[n]2)[n]1 Amb25125551 [0,0,0,0,0,0|3,0,1]=4 40 B15R2.283 Nc1[n][s]c(CCc2ccccc2)[n]1 Amb25103913 [0,0,0,0,0,0|2,0,1]=3 41 B15R2.283 Nc1[n][s]c(CSc2ccccc2)[n]1 Amb25764205 [0,0,0,0,0,0|3,0,1]=4 42 B15R2.283 Nc1[n]c(CCc2ccccc2)[n][s]1 Amb18292122 [0,0,0,0,0,0|1,1,1]=3 43 B15R2.283 Nc1[n]c(CCc2ccccc2)[n]o1 Amb18991331 [0,0,0,0,0,0|1,0,1]=2 44 B15R2.283 Nc1[n]c(CCc2ccccc2)c[s]1 Amb22477663 [0,0,0,0,0,0|0,1,2]=3 45 B15R2.283 Nc1[n]c(CNc2ccccc2)c[s]1 Amb18865210 [0,0,0,0,0,0|1,1,2]=4 46 B15R2.283 Nc1[n]c(COc2ccccc2)[n][s]1 Amb18300287 [0,0,0,0,0,0|2,1,1]=4 47 B15R2.283 Nc1[n]c(COc2ccccc2)[n]o1 Amb18995138 [0,0,0,0,0,0|2,0,1]=3 48 B15R2.283 Nc1[n]c(CSc2ccccc2)[n][s]1 Amb22395188 [0,0,0,0,0,0|2,1,1]=4 49 B15R2.283 Nc1[n]c(NCc2ccccc2)[s][n]1 Amb24450442 [0,0,0,0,0,0|3,0,1]=4 50 B15R2.283 Nc1[n]c(\C=C\c2ccccc2)[n]o1 Amb18649547 [0,0,0,0,0,0|1,0,3]=4 51 B15R2.283 Nc1[n]c[n](CCc2c[n]ccc2)[n]1 Amb25850614 [0,0,0,0,0,0|3,0,1]=4 52 B15R2.283 Nc1[n]c[n](CCc2cc[n]cc2)[n]1 Amb18969779 [0,0,0,0,0,0|3,0,1]=4 53 B15R2.283 Nc1[n]c[n](CCc2cccc[n]2)[n]1 Amb18289543 [0,0,0,0,0,0|3,0,1]=4 54 B15R2.283 Nc1[n]cc(CCc2ccccc2)[s]1 Amb24756736 [0,0,0,0,0,0|2,0,2]=4 55 B15R2.283 Nc1[n]oc(CCc2ccccc2)[n]1 Amb24083478 [0,0,0,0,0,0|2,0,1]=3 56 B15R2.283 Nc1c[n+](CCc2ccccc2)[n]o1 Amb19650266 [0,0,0,0,0,0|3,0,0]=3 57 B15R2.283 Nc1c[n][n](CCc2ccccc2)c1 Amb24064863 [0,0,0,0,0,0|4,0,0]=4 58 B15R2.283 Nc1c[n]c(CCc2ccccc2)o1 Amb18564480 [0,0,0,0,0,0|3,0,1]=4 59 B15R2.283 Nc1c[s]c(COc2ccccc2)[n]1 Amb24714434 [0,0,0,0,0,0|3,0,1]=4 60 B15R2.283 Nc1c[s]c(CSc2ccccc2)[n]1 Amb25296816 [0,0,0,0,0,0|3,0,1]=4 61 B15R2.283 Nc1cc[n](CCc2c[n]ccc2)[n]1 Amb25282154 [0,0,0,0,0,0|3,0,1]=4 62 B15R2.283 Nc1ccc(CCc2ccccc2)[s]1 Amb24427551 [0,0,0,0,0,0|2,0,2]=4 63 B15R2.283 Nc1ccn(n1)CCc2ccccn2 Amb13951771 [0,0,0,0,0,0|3,0,1]=4 64 B15R2.283 Nc1ccn(n1)CCc2ccncc2 Amb13951916 [0,0,0,0,0,0|3,0,1]=4 65 B15R2.283 Nc1n[nH]c(CCc2ccccc2)n1 Amb17915081 [0,0,0,0,0,0|2,0,1]=3 66 B15R2.283 Nc1n[nH]c(c1)CCc2ccccc2 Amb17234443 [0,0,0,0,0,0|3,0,1]=4 67 B15R2.283 Nc1n[nH]c(n1)CCc2ccccc2 Amb15740860 [0,0,0,0,0,0|2,0,1]=3 68 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17943401 [0,0,0,0,0,0|0,1,2]=3 69 B15R2.283 Nc1nnc(s1)CCc2ccccc2 Amb1802863 [0,0,0,0,0,0|3,0,1]=4 70 B15R2.283 Nc1onc(c1)CCc2cccnc2 Amb17234650 [0,0,0,0,0,0|3,0,1]=4 71 B15R2.283 Nc1onc(c1)COc2ccccc2 Amb17234868 [0,0,0,0,0,0|3,0,1]=4 72 B15R2.283 Nc1scc(n1)CCc2ccccc2 Amb17238165 [0,0,0,0,0,0|0,1,2]=3 73 B15R2.283 Nc1scc(n1)CCc2cccnc2 Amb17238469 [0,0,0,0,0,0|1,1,2]=4 74 B15R2.283 Nc1scc(n1)COc2ccccc2 Amb1106879 [0,0,0,0,0,0|1,1,2]=4 75 B15R2.283 O=C1C=C(CO1)NCc2ccccc2 Amb23562822 [0,0,0,0,0,0|3,0,1]=4 76 B15R2.283 O=C1C=C(CO1)OCc2ccccc2 Amb24310537 [0,0,0,0,0,0|3,0,1]=4 77 B15R2.283 O=C1C=CC(CCc2ccccc2)N1 Amb24378116 [0,0,0,0,0,0|2,0,2]=4 78 B15R2.283 O=C1CC(CC1)NCc2ccccc2 Amb25754322 [0,0,0,0,0,0|4,0,0]=4 79 B15R2.283 O=C1CC(CN1)COc2ccccc2 Amb25665268 [0,0,0,0,0,0|4,0,0]=4 80 B15R2.283 O=C1CC(CN1)CSc2ccccc2 Amb25771687 [0,0,0,0,0,0|4,0,0]=4 81 B15R2.283 O=C1CC(CN1)OCc2ccccc2 Amb25166196 [0,0,0,0,0,0|4,0,0]=4 82 B15R2.283 O=C1CC(CO1)NCc2ccccc2 Amb24563385 [0,0,0,0,0,0|3,0,0]=3 83 B15R2.283 O=C1CCC(CNc2ccccc2)N1 Amb25102596 [0,0,0,0,0,0|3,0,1]=4 84 B15R2.283 O=C1CCC(CSc2ccccc2)O1 Amb25277398 [0,0,0,0,0,0|4,0,0]=4 85 B15R2.283 O=C1CCC(N1)OCc2ccccc2 Amb25835161 [0,0,0,0,0,0|3,0,1]=4 86 B15R2.283 O=C1CCC(NCc2ccccc2)=N1 Amb24740795 [0,0,0,0,0,0|3,0,1]=4 87 B15R2.283 O=C1CCC(NCc2ccccc2)N1 Amb24426288 [0,0,0,0,0,0|3,0,1]=4 88 B15R2.283 O=C1CC[C@@H](CNc2ccccc2)N1 Amb25292105 [0,0,0,0,0,0|3,0,1]=4 89 B15R2.283 O=C1C[C@H](CO1)NCc2ccccc2 Amb25233437 [0,0,0,0,0,0|3,0,0]=3 90 B15R2.283 O=C1NC(CCc2ccccc2)=NO1 Amb19072880 [0,0,0,0,0,0|2,0,2]=4 91 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [0,0,0,0,0,0|1,0,1]=2 92 B15R2.283 O=C1NC(CO1)CNc2cccc[n]2 Amb24690185 [0,0,0,0,0,0|3,0,1]=4 93 B15R2.283 O=C1NC(CO1)OCc2ccccc2 Amb25108221 [0,0,0,0,0,0|2,0,1]=3 94 B15R2.283 O=C1NC(CO1)\C=C\c2ccccc2 Amb24336522 [0,0,0,0,0,0|1,0,3]=4 95 B15R2.283 O=C1NC(CO1)\N=C\c2ccccc2 Amb24336701 [0,0,0,0,0,0|2,0,2]=4 96 B15R2.283 O=C1NCC(CNc2ccccc2)O1 Amb25082861 [0,0,0,0,0,0|4,0,0]=4 97 B15R2.283 O=C1NCC(CSc2ccccc2)O1 Amb25756159 [0,0,0,0,0,0|4,0,0]=4 98 B15R2.283 O=C1NC[C@@H](COc2ccccc2)O1 Amb25315100 [0,0,0,0,0,0|4,0,0]=4 99 B15R2.283 O=C1N[C@@H](CCc2ccccc2)CO1 Amb24336441 [0,0,0,0,0,0|1,0,1]=2 100 B15R2.283 O=C1N[C@@H](CO1)C#Cc2ccccc2 Amb24409685 [0,0,0,0,0,0|1,0,3]=4 101 B15R2.283 O=C1N[C@@H](CO1)\C=C\c2ccccc2 Amb24506561 [0,0,0,0,0,0|1,0,3]=4 102 B15R2.283 O=C1N[C@H](CO1)\C=C\c2ccccc2 Amb24753714 [0,0,0,0,0,0|1,0,3]=4 103 B15R2.283 O=C1OC(CO1)COc2ccccc2 Amb22446931 [0,0,0,0,0,0|3,0,0]=3 104 B15R2.283 OC1CC(CO1)OCc2ccccc2 Amb25740552 [0,0,0,0,0,0|3,0,1]=4 105 B15R2.283 OC1CCC(CCc2ccccc2)O1 Amb22752565 [0,0,0,0,0,0|3,0,1]=4 106 B15R2.283 OC1C[C@H](CO1)OCc2ccccc2 Amb25284216 [0,0,0,0,0,0|3,0,1]=4 107 B15R2.283 Oc1cc(CCc2ccccc2)[n]o1 Amb20672923 [0,0,0,0,0,0|3,0,1]=4 108 B15R2.283 S=C1OC(CS1)COc2ccccc2 Amb22450310 [0,0,0,0,0,0|3,1,0]=4 109 B15R2.283 S=C1SC(CS1)COc2ccccc2 Amb22486691 [0,0,0,0,0,0|3,1,0]=4 110 B15R2.283 Sc1[nH]cc(CCc2ccccc2)[n]1 Amb25216198 [0,0,0,0,0,0|2,0,2]=4 111 B14R2.101 C(C[n]1c[n]c[n]1)c2ccccc2 Amb20622454 [1,0,0,0,0,0|2,0,1]=4 112 B14R2.101 C(C[n]1ccc[n]1)c2ccccc2 Amb20622458 [1,0,0,0,0,0|2,0,1]=4 113 B14R2.101 C(Cc1[nH]cc[n]1)c2ccccc2 Amb19092638 [1,0,0,0,0,0|2,0,1]=4 114 B14R2.101 C(NC1CCC=C1)c2ccccc2 Amb24441666 [1,0,0,0,0,0|3,0,0]=4 115 B14R2.101 C(NC1COCC1)c2ccccc2 Amb22490250 [1,0,0,0,0,0|2,0,1]=4 116 B14R2.101 C(N[C@@H]1COCC1)c2ccccc2 Amb24553100 [1,0,0,0,0,0|2,0,1]=4 117 B14R2.101 C(N[C@H]1CCC=C1)c2ccccc2 Amb25775023 [1,0,0,0,0,0|3,0,0]=4 118 B14R2.101 C(N[C@H]1COCC1)c2ccccc2 Amb24741285 [1,0,0,0,0,0|2,0,1]=4 119 B14R2.101 C(OC1CC=CC1)c2ccccc2 Amb25786312 [1,0,0,0,0,0|3,0,0]=4 120 B14R2.101 C(Oc1ccccc1)c2[n]oc[n]2 Amb24513802 [1,0,0,0,0,0|2,0,1]=4 121 B14R2.101 C(Sc1ccccc1)c2[n]oc[n]2 Amb25235955 [1,0,0,0,0,0|2,0,1]=4 122 B14R2.101 C1CC[C@H](CCc2ccccc2)N1 Amb25105019 [1,0,0,0,0,0|1,0,2]=4 123 B14R2.101 C1CNC(C1)CCc2ccccc2 Amb10609225 [1,0,0,0,0,0|1,0,2]=4 124 B14R2.101 C1N=CNC1CSc2ccccc2 Amb25046746 [1,0,0,0,0,0|2,0,1]=4 125 B14R2.101 C1OCCC1COc2ccccc2 Amb24605530 [1,0,0,0,0,0|2,0,1]=4 126 B14R2.101 c1ccc(cc1)CCC2=NCCC2 Amb17619263 [1,0,0,0,0,0|1,0,2]=4 127 B16R2.137 Brc1ccc(cc1)CCc2noc(c2)N Amb17272559 [0,1,0,0,0,0|2,0,1]=4 128 B16R2.137 Cc1[n]c(CCc2ccc(Br)cc2)[n]o1 Amb18884756 [0,1,0,0,0,0|2,0,1]=4 129 B16R2.137 Cc1[n]c(CCc2ccc(N)cc2)[n]o1 Amb18864795 [0,1,0,0,0,0|2,0,1]=4 130 B16R2.137 Cc1ccc(CCc2[n][s]c(N)[n]2)cc1 Amb22395089 [0,1,0,0,0,0|1,1,1]=4 131 B16R2.137 Cc1ccc(cc1)CCc2csc(n2)N Amb17243354 [0,1,0,0,0,0|0,1,2]=4 132 B16R2.137 Cc1ccc(cc1)CCc2noc(c2)N Amb17237461 [0,1,0,0,0,0|2,0,1]=4 133 B16R2.137 Clc1ccc(cc1)CCc2csc(n2)N Amb17254504 [0,1,0,0,0,0|0,1,2]=4 134 B16R2.137 Clc1ccc(cc1)CCc2noc(c2)N Amb17245904 [0,1,0,0,0,0|2,0,1]=4 135 B16R2.137 Fc1ccc(cc1)CCc2csc(n2)N Amb17245424 [0,1,0,0,0,0|0,1,2]=4 136 B16R2.137 Fc1ccc(cc1)CCc2noc(c2)N Amb17238772 [0,1,0,0,0,0|2,0,1]=4 137 B16R2.137 Nc1[n]c(CCc2ccc(Br)cc2)[n][s]1 Amb22395053 [0,1,0,0,0,0|1,1,1]=4 138 B16R2.137 Nc1[n]c(CCc2ccc(Cl)cc2)[n][s]1 Amb22395064 [0,1,0,0,0,0|1,1,1]=4 139 B16R2.137 Nc1[n]c(CCc2ccc(F)cc2)[n][s]1 Amb22395189 [0,1,0,0,0,0|1,1,1]=4 140 B16R2.137 O=C1CC(CCc2ccc(Cl)cc2)CC1 Amb25337071 [0,1,0,0,0,0|3,0,0]=4 141 B16R2.137 O=C1OC(CO1)COc2ccc(Cl)cc2 Amb22454480 [0,1,0,0,0,0|3,0,0]=4 142 B16R2.137 O=C1OC(CO1)CSc2ccc(Cl)cc2 Amb22454485 [0,1,0,0,0,0|3,0,0]=4 143 B16R2.137 Oc1ccc(cc1)CCc2noc(c2)N Amb15694904 [0,1,0,0,0,0|2,0,1]=4 144 B16R2.258 Brc1cccc(c1)CCc2noc(c2)N Amb17272557 [0,1,0,0,0,0|2,0,1]=4 145 B16R2.258 Cc1[n]c(CCc2cc(Br)ccc2)[n]o1 Amb18884753 [0,1,0,0,0,0|2,0,1]=4 146 B16R2.258 Cc1[n]c(CCc2cc(N)ccc2)[n]o1 Amb18864792 [0,1,0,0,0,0|2,0,1]=4 147 B16R2.258 Cc1cc(CCc2[n][s]c(N)[n]2)ccc1 Amb22395088 [0,1,0,0,0,0|1,1,1]=4 148 B16R2.258 Cc1cccc(c1)CCc2csc(n2)N Amb17243353 [0,1,0,0,0,0|0,1,2]=4 149 B16R2.258 Cc1cccc(c1)CCc2noc(c2)N Amb17237459 [0,1,0,0,0,0|2,0,1]=4 150 B16R2.258 Clc1cccc(c1)CCc2csc(n2)N Amb17254503 [0,1,0,0,0,0|0,1,2]=4 151 B16R2.258 Clc1cccc(c1)CCc2noc(c2)N Amb17245902 [0,1,0,0,0,0|2,0,1]=4 152 B16R2.258 Nc1[n]c(CCc2cc(Br)ccc2)[n][s]1 Amb22395106 [0,1,0,0,0,0|1,1,1]=4 153 B16R2.258 Nc1[n]c(CCc2cc(Cl)ccc2)[n][s]1 Amb22395062 [0,1,0,0,0,0|1,1,1]=4 154 B16R2.2334 ClCc1[n]c(CCc2ccccc2)[n]o1 Amb20623100 [0,1,0,0,0,0|2,0,1]=4 155 B16R2.2334 NCc1[nH][n]c(CCc2ccccc2)[n]1 Amb18221996 [0,1,0,0,0,0|2,0,1]=4 156 B16R2.2334 NCc1[n]c(CCc2ccccc2)[n]o1 Amb24770969 [0,1,0,0,0,0|1,0,1]=3 157 B16R2.2334 NCc1[n]c(CCc2ccccc2)c[s]1 Amb22035164 [0,1,0,0,0,0|0,1,2]=4 158 B16R2.2334 NCc1c[s]c(CCc2ccccc2)[n]1 Amb19015877 [0,1,0,0,0,0|2,0,1]=4 159 B16R2.2334 NCc1onc(n1)COc2ccccc2 Amb10789058 [0,1,0,0,0,0|2,0,1]=4 160 B16R2.2334 NCc1onc(n1)COc2ccccc2 Amb15740915 [0,1,0,0,0,0|2,0,1]=4 161 B16R2.2334 NCc1scc(n1)CCc2ccccc2 Amb17243350 [0,1,0,0,0,0|0,1,2]=4 162 B16R2.2829 CC(CC1CCC(=O)C1)c2ccccc2 Amb24594664 [0,1,0,0,0,0|3,0,0]=4 163 B16R2.2829 CC(C[n]1ccc(N)[n]1)c2ccccc2 Amb20674793 [0,1,0,0,0,0|2,0,1]=4 164 B16R2.2843 CC(Cc1ccccc1)N2C=C(N)O[NH2+]2 Amb19959996 [0,1,0,0,0,0|3,0,0]=4 165 B16R2.2843 CC1CC(CO1)C(Cl)Cc2ccccc2 Amb24611128 [0,1,0,0,0,0|2,0,1]=4 166 B16R2.2843 CN(Cc1ccccc1)C2COC(=O)C2 Amb24338218 [0,1,0,0,0,0|3,0,0]=4 167 B16R2.2843 Nc1on[n+](c1)C(Cc2ccccc2)C Amb16767332 [0,1,0,0,0,0|3,0,0]=4 168 B16R2.2904 CC1OC(=O)CC1NCc2ccccc2 Amb24452253 [0,1,0,0,0,0|3,0,0]=4 169 B16R2.5952 CC1C(CCC1=O)CCc2ccccc2 Amb25137976 [0,1,0,0,0,0|3,0,0]=4 170 B16R2.5952 CC1C(COC1=O)NCc2ccccc2 Amb25368463 [0,1,0,0,0,0|3,0,0]=4 171 B16R2.11414 Cc1[n]c(CCc2ccccc2Br)[n]o1 Amb18884750 [0,1,0,0,0,0|2,0,1]=4 172 B16R2.11414 Cc1[n]c(CCc2ccccc2N)[n]o1 Amb18864788 [0,1,0,0,0,0|2,0,1]=4 173 B16R2.11414 Cc1ccccc1CCc2[n][s]c(N)[n]2 Amb22395087 [0,1,0,0,0,0|1,1,1]=4 174 B16R2.11414 Nc1[n]c(CCc2ccccc2Br)[n][s]1 Amb22395052 [0,1,0,0,0,0|1,1,1]=4 175 B16R2.11414 Nc1[n]c(CCc2ccccc2Cl)[n][s]1 Amb22395059 [0,1,0,0,0,0|1,1,1]=4 176 B16R2.11414 Nc1[n]c(CCc2ccccc2F)[n][s]1 Amb22395085 [0,1,0,0,0,0|1,1,1]=4 177 B16R2.11414 Nc1onc(c1)CCc2ccccc2C Amb17237457 [0,1,0,0,0,0|2,0,1]=4 178 B16R2.11414 Nc1onc(c1)CCc2ccccc2Cl Amb17245900 [0,1,0,0,0,0|2,0,1]=4 179 B16R2.11414 Nc1onc(c1)CCc2ccccc2F Amb17238770 [0,1,0,0,0,0|2,0,1]=4 180 B16R2.11414 Nc1scc(n1)CCc2ccccc2C Amb17243352 [0,1,0,0,0,0|0,1,2]=4 181 B16R2.11414 Nc1scc(n1)CCc2ccccc2Cl Amb17254502 [0,1,0,0,0,0|0,1,2]=4 182 B16R2.11414 Nc1scc(n1)CCc2ccccc2F Amb17245423 [0,1,0,0,0,0|0,1,2]=4 183 B14R1.422 CC(=O)OCCCOc1ccccc1 Amb24046251 [0,0,1,0,0,0|3,0,0]=4 184 B14R1.422 CC(=O)OCCNCc1ccccc1 Amb18929298 [0,0,1,0,0,0|3,0,0]=4 185 B14R1.422 ClC(=O)OCCOCc1ccccc1 Amb10844670 [0,0,1,0,0,0|3,0,0]=4 186 B14R1.422 NC(=N)NCCNCc1ccccc1 Amb24415456 [0,0,1,0,0,0|2,0,0]=3 187 B14R1.422 NC(=N)NNCCCc1ccccc1 Amb24064219 [0,0,1,0,0,0|2,0,0]=3 188 B14R1.422 NC(=N)NNCCOc1ccccc1 Amb10553765 [0,0,1,0,0,0|3,0,0]=4 189 B14R1.422 NC(=N)SCCCOc1ccccc1 Amb20675993 [0,0,1,0,0,0|1,1,0]=3 190 B14R1.422 NC(=N)SCCOCc1ccccc1 Amb24377364 [0,0,1,0,0,0|1,1,0]=3 191 B14R1.422 NC(=O)CCCNCc1ccccc1 Amb19050609 [0,0,1,0,0,0|3,0,0]=4 192 B14R1.422 NC(=O)CCCOCc1ccccc1 Amb25073445 [0,0,1,0,0,0|3,0,0]=4 193 B14R1.422 NC(=O)CCNCCc1ccccc1 Amb22587630 [0,0,1,0,0,0|3,0,0]=4 194 B14R1.422 NC(=O)NCCNCc1ccccc1 Amb18651583 [0,0,1,0,0,0|3,0,0]=4 195 B14R1.422 NC(=O)NCCOCc1ccccc1 Amb25059842 [0,0,1,0,0,0|3,0,0]=4 196 B14R1.422 NC(=S)NCCOCc1ccccc1 Amb24359957 [0,0,1,0,0,0|3,0,0]=4 197 B14R1.716 CCC(=O)CCCCc1ccccc1 Amb17234942 [0,0,1,0,0,0|3,0,0]=4 198 B14R1.716 CN\C(\N)=N\CCNc1cc[n]cc1 Amb25059345 [0,0,1,0,0,0|3,0,0]=4 199 B14R1.716 COC(=O)CCCCc1cccc[n]1 Amb24113266 [0,0,1,0,0,0|3,0,0]=4 200 B14R1.716 COC(=O)CCCOc1ccccc1 Amb2170599 [0,0,1,0,0,0|3,0,0]=4 201 B14R1.716 COC(=O)NCCOc1ccccc1 Amb1014011 [0,0,1,0,0,0|2,0,1]=4 202 B14R1.716 C\N=C(\N)/NCCNc1ccccc1 Amb25318489 [0,0,1,0,0,0|2,0,1]=4 203 B14R1.818 CC(CC(=O)N)NCc1ccccc1 Amb17235456 [0,0,1,0,0,0|2,0,1]=4 204 B14R1.818 CC(CC(N)=O)OCc1ccccc1 Amb25249681 [0,0,1,0,0,0|2,0,1]=4 205 B14R1.818 CC(CCc1ccccc1)NC(N)=N Amb19073485 [0,0,1,0,0,0|1,0,1]=3 206 B14R1.818 CC(CCc1ccccc1)NC(N)=O Amb19078987 [0,0,1,0,0,0|0,0,2]=3 207 B14R1.818 C[C@@H](CC(N)=O)NCc1ccccc1 Amb24566940 [0,0,1,0,0,0|2,0,1]=4 208 B14R1.818 C[C@@H](CC(N)=O)OCc1ccccc1 Amb24498301 [0,0,1,0,0,0|2,0,1]=4 209 B14R1.818 C[C@@H](CC(O)=O)NCc1ccccc1 Amb25124067 [0,0,1,0,0,0|3,0,0]=4 210 B14R1.818 C[C@@H](CC(O)=O)OCc1ccccc1 Amb24335959 [0,0,1,0,0,0|3,0,0]=4 211 B14R1.818 C\C(\CCc1ccccc1)=C\C(O)=O Amb22095783 [0,0,1,0,0,0|2,0,1]=4 212 B14R1.818 NC(CC(=O)O)CCc1ccccc1 Amb1993736 [0,0,1,0,0,0|3,0,0]=4 213 B14R1.818 N[C@@H](CCc1ccccc1)CC(O)=O Amb19887670 [0,0,1,0,0,0|3,0,0]=4 214 B14R1.818 N[C@@H](CCc1ccccc1)CC(O)=O Amb22746249 [0,0,1,0,0,0|3,0,0]=4 215 B14R1.818 N[C@H](CCc1ccccc1)CC(O)=O Amb19888418 [0,0,1,0,0,0|3,0,0]=4 216 B14R1.818 OC(CC(=O)O)CCc1ccccc1 Amb17235897 [0,0,1,0,0,0|3,0,0]=4 217 B14R1.979 C=CC[C@H](CO)OCc1ccccc1 Amb25723021 [0,0,1,0,0,0|3,0,0]=4 218 B14R1.979 C\C=C\C(CO)OCc1ccccc1 Amb25120071 [0,0,1,0,0,0|3,0,0]=4 219 B14R1.979 NCCC(CO)OCc1ccccc1 Amb25324590 [0,0,1,0,0,0|2,0,1]=4 220 B14R1.979 OC[C@H](CC=O)OCc1ccccc1 Amb25768392 [0,0,1,0,0,0|3,0,0]=4 221 B16R3.335 NC1=NC2CCc3ccccc3C2O1 Amb24336485 [0,0,0,1,0,0|0,0,0]=1 222 B16R3.335 NC1=N[C@@H]2CCc3ccccc3[C@H]2O1 Amb24655038 [0,0,0,1,0,0|0,0,0]=1 223 B16R3.335 NC=1CC2C(CCc3ccccc32)N1 Amb24428116 [0,0,0,1,0,0|1,0,0]=2 224 B16R3.335 O=C1CC2CCc3ccccc3C2N1 Amb24453845 [0,0,0,1,0,0|3,0,0]=4 225 B16R3.335 O=C1C[C@@H]2CCc3ccccc3[C@@H]2N1 Amb24681165 [0,0,0,1,0,0|3,0,0]=4 226 B16R3.335 O=C1C[C@H]2CCc3ccccc3[C@H]2N1 Amb25205019 [0,0,0,1,0,0|3,0,0]=4 227 B16R3.335 O=C1NC2C(CCc3ccccc32)O1 Amb25772918 [0,0,0,1,0,0|3,0,0]=4 228 B16R3.335 O=C1NC2CCc3ccccc3C2O1 Amb25166159 [0,0,0,1,0,0|1,0,1]=3 229 B16R3.335 O=C1N[C@@H]2[C@@H](CCc3ccccc32)O1 Amb24675435 [0,0,0,1,0,0|3,0,0]=4 230 B16R3.335 O=C1N[C@@H]2[C@H](CCc3ccccc32)O1 Amb24622511 [0,0,0,1,0,0|3,0,0]=4 231 B16R3.335 O=C1N[C@H]2CCc3ccccc3[C@@H]2O1 Amb24562298 [0,0,0,1,0,0|1,0,1]=3 232 B16R3.335 S=C1N[C@H]2[C@@H](CCc3ccccc32)N1 Amb25347816 [0,0,0,1,0,0|2,0,1]=4 233 B16R3.335 [C@@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778863 [0,0,0,1,0,0|2,0,0]=3 234 B16R3.335 [C@H]12CC(=O)O[C@H]1c3ccccc3CC2 Amb17778862 [0,0,0,1,0,0|2,0,0]=3 235 B16R3.2022 Nc1[n]c(c[s]1)C2Cc3ccccc32 Amb25679430 [0,0,0,1,0,0|0,1,2]=4 236 B16R3.2022 Nc1c[s]c([n]1)C2Cc3ccccc32 Amb25716567 [0,0,0,1,0,0|2,0,1]=4 237 B16R3.2022 Nc1cc([n]o1)C2Cc3ccccc32 Amb24384490 [0,0,0,1,0,0|2,0,1]=4 238 B16R3.2271 O=C1NC2CC(C1C2)c3ccccc3 Amb25035859 [0,0,0,1,0,0|2,0,1]=4 239 B16R3.6018 C1C2CCC1C(Cc3ccccc3)N2 Amb18821343 [0,0,0,1,0,0|2,0,1]=4 240 B16R3.10764 NC1=NCC2(CCc3ccccc23)O1 Amb25185696 [0,0,0,1,0,0|2,0,0]=3 241 B16R3.10764 O=C1CCC2(CCc3ccccc23)N1 Amb24741813 [0,0,0,1,0,0|2,0,1]=4 242 B16R3.17392 O=C1NCC2CCc3ccccc3C12 Amb24409658 [0,0,0,1,0,0|3,0,0]=4 243 B16R3.17392 O=C1NCC2CCc3ccccc3N12 Amb25743466 [0,0,0,1,0,0|2,0,1]=4 244 B14R2.19 Brc1[n]c(Cc2ccccc2)[n]o1 Amb24672529 [0,0,0,0,1,0|2,0,1]=4 245 B14R2.19 Cc1[n]c(Cc2ccccc2)[n]o1 Amb25760165 [0,0,0,0,1,0|2,0,1]=4 246 B14R2.19 Clc1[n]c(Cc2ccccc2)[n]o1 Amb18324818 [0,0,0,0,1,0|2,0,1]=4 247 B14R2.19 NC1=NC(Cc2c[n]cc[n]2)CS1 Amb24441680 [0,0,0,0,1,0|2,1,0]=4 248 B14R2.19 NC1=NC(Cc2cc[n]cc2)CS1 Amb24488817 [0,0,0,0,1,0|1,1,0]=3 249 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [0,0,0,0,1,0|0,0,0]=1 250 B14R2.19 NC1=N[C@H](Cc2c[n]cc[n]2)CS1 Amb24375479 [0,0,0,0,1,0|2,1,0]=4 251 B14R2.19 NC1=N[C@H](Cc2c[n]ccc2)CS1 Amb25670320 [0,0,0,0,1,0|1,1,0]=3 252 B14R2.19 NC1=N[C@H](Cc2cc[n]cc2)CS1 Amb25364144 [0,0,0,0,1,0|1,1,0]=3 253 B14R2.19 NC1=N[C@H](Cc2ccccc2)CS1 Amb25729987 [0,0,0,0,1,0|0,1,0]=2 254 B14R2.19 NC1CC(CC1)Cc2ccccc2 Amb25337996 [0,0,0,0,1,0|2,0,1]=4 255 B14R2.19 NC=1NCC(N1)Oc2ccccc2 Amb24396134 [0,0,0,0,1,0|2,0,0]=3 256 B14R2.19 Nc1[nH]cc(Cc2ccccc2)[n]1 Amb25710769 [0,0,0,0,1,0|1,0,2]=4 257 B14R2.19 Nc1[n][s]c(Cc2ccccc2)[n]1 Amb18190794 [0,0,0,0,1,0|2,0,1]=4 258 B14R2.19 Nc1[n]c(Cc2c[n]ccc2)[n]o1 Amb18962286 [0,0,0,0,1,0|2,0,1]=4 259 B14R2.19 Nc1[n]c(Cc2cc[n]cc2)[n]o1 Amb18962280 [0,0,0,0,1,0|2,0,1]=4 260 B14R2.19 Nc1[n]c(Cc2cccc[n]2)[n]o1 Amb18961688 [0,0,0,0,1,0|2,0,1]=4 261 B14R2.19 Nc1[n]c(Cc2ccccc2)[n]o1 Amb18961686 [0,0,0,0,1,0|1,0,1]=3 262 B14R2.19 Nc1[n]c(Cc2ccccc2)co1 Amb22499416 [0,0,0,0,1,0|0,0,2]=3 263 B14R2.19 Nc1[n]c(Nc2ccccc2)[n]o1 Amb18647955 [0,0,0,0,1,0|2,0,1]=4 264 B14R2.19 Nc1[n]oc(Cc2ccccc2)[n]1 Amb24083228 [0,0,0,0,1,0|2,0,1]=4 265 B14R2.19 Nc1[n]oc(Cc2ccccc2)[n]1 Amb24533907 [0,0,0,0,1,0|2,0,1]=4 266 B14R2.19 Nc1c[n+](Cc2ccccc2)[n]o1 Amb19650260 [0,0,0,0,1,0|3,0,0]=4 267 B14R2.19 Nc1c[n][n](Cc2ccccc2)[n]1 Amb18197582 [0,0,0,0,1,0|3,0,0]=4 268 B14R2.19 Nc1c[s]c(Cc2ccccc2)[n]1 Amb24491056 [0,0,0,0,1,0|2,0,1]=4 269 B14R2.19 Nc1ccn(n1)Cc2ccccc2 Amb10609213 [0,0,0,0,1,0|2,0,1]=4 270 B14R2.19 Nc1ncn(n1)Cc2ccccc2 Amb1946393 [0,0,0,0,1,0|2,0,1]=4 271 B14R2.19 Nc1onc(c1)Cc2ccccc2 Amb17233004 [0,0,0,0,1,0|2,0,1]=4 272 B14R2.19 Nc1scc(n1)Cc2ccccc2 Amb1264076 [0,0,0,0,1,0|0,1,2]=4 273 B14R2.19 O=C1CC(Cc2ccccc2)CC1 Amb24455173 [0,0,0,0,1,0|3,0,0]=4 274 B14R2.19 O=C1CCC(Cc2ccccc2)O1 Amb20669272 [0,0,0,0,1,0|3,0,0]=4 275 B14R2.19 O=C1CC[C@@H](Cc2ccccc2)N1 Amb25068439 [0,0,0,0,1,0|2,0,1]=4 276 B14R2.19 O=C1CC[C@H](Cc2ccccc2)N1 Amb25365168 [0,0,0,0,1,0|2,0,1]=4 277 B14R2.19 O=C1C[C@@H](Cc2ccccc2)CC1 Amb24723978 [0,0,0,0,1,0|3,0,0]=4 278 B14R2.19 O=C1NC(Cc2cccc[n]2)CO1 Amb25288331 [0,0,0,0,1,0|2,0,1]=4 279 B14R2.19 O=C1NCC(C1)Cc2ccccc2 Amb10608007 [0,0,0,0,1,0|3,0,0]=4 280 B14R2.19 O=C1NCC(Cc2ccccc2)N1 Amb18061673 [0,0,0,0,1,0|2,0,1]=4 281 B14R2.19 O=C1NCC(Cc2ccccc2)O1 Amb18061675 [0,0,0,0,1,0|3,0,0]=4 282 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CS1 Amb19887642 [0,0,0,0,1,0|1,1,1]=4 283 B14R2.19 O=C1N[C@H](Cc2ccccc2)CS1 Amb19888420 [0,0,0,0,1,0|1,1,1]=4 284 B14R2.19 O=C1OC(Cc2ccccc2)CS1 Amb25726403 [0,0,0,0,1,0|2,1,0]=4 285 B14R2.19 O=C1OCC(O1)Sc2ccccc2 Amb25749160 [0,0,0,0,1,0|3,0,0]=4 286 B14R2.19 OC1CC(Cc2ccccc2)CO1 Amb22752560 [0,0,0,0,1,0|2,0,1]=4 287 B14R2.19 S=C1N=C(CS1)Cc2ccccc2 Amb19888437 [0,0,0,0,1,0|1,1,1]=4 288 B14R2.19 S=C1NC(Cc2ccccc2)CS1 Amb24079058 [0,0,0,0,1,0|1,1,1]=4 289 B14R2.19 S=C1NCC(Cc2ccccc2)N1 Amb24417734 [0,0,0,0,1,0|2,0,1]=4 290 B14R2.19 Sc1[n]c(Cc2ccccc2)[n]o1 Amb18317690 [0,0,0,0,1,0|2,0,1]=4 291 B14R2.19 Sc1[n]c(Cc2ccccc2)co1 Amb25205496 [0,0,0,0,1,0|1,0,2]=4 292 B14R2.31 NC1CCC1CCc2ccccc2 Amb25757178 [0,0,0,0,1,0|1,0,1]=3 293 B14R2.31 NC1CCC1OCc2ccccc2 Amb25139601 [0,0,0,0,1,0|2,0,1]=4 294 B14R2.31 N[C@H]1CC[C@H]1OCc2ccccc2 Amb25373979 [0,0,0,0,1,0|2,0,1]=4 295 B14R2.31 O=C1CCC1CCc2ccccc2 Amb24492658 [0,0,0,0,1,0|2,0,0]=3 296 B14R2.31 O=C1CCC1OCc2ccccc2 Amb22896544 [0,0,0,0,1,0|3,0,0]=4 297 B14R2.31 O=C1CC[C@@H]1OCc2ccccc2 Amb24494962 [0,0,0,0,1,0|3,0,0]=4 298 B14R2.31 O=C1CC[C@H]1CCc2ccccc2 Amb24364139 [0,0,0,0,1,0|2,0,0]=3 299 B14R2.31 O=C1COC1CCc2ccccc2 Amb24492472 [0,0,0,0,1,0|3,0,0]=4 300 B14R2.252 O=C1N[C@@H](CO1)CCc2ccco2 Amb24534605 [0,0,0,0,1,0|2,0,1]=4 301 B14R2.436 NC1CC(C1)OCc2ccccc2 Amb20242212 [0,0,0,0,1,0|2,0,1]=4 302 B14R2.436 N[C@@H]1C[C@@H](C1)OCc2ccccc2 Amb22746995 [0,0,0,0,1,0|2,0,1]=4 303 B14R2.436 N[C@@H]1C[C@H](C1)OCc2ccccc2 Amb22746997 [0,0,0,0,1,0|2,0,1]=4 304 B14R2.436 N[C@@H]1C[C@H](C1)OCc2ccccc2 Amb22746998 [0,0,0,0,1,0|2,0,1]=4 305 B14R2.436 O=C1CC(C1)OCc2ccccc2 Amb10844904 [0,0,0,0,1,0|3,0,0]=4 306 B14R2.436 O=C1CC(N1)SCc2ccccc2 Amb25770538 [0,0,0,0,1,0|2,0,1]=4 307 B16R2.132 NC=1NN=C(CCc2ccccc2)NN1 Amb20414087 [0,0,0,0,0,1|2,0,1]=4 308 B16R2.132 Nc1cnc(nc1)CCc2ccccc2 Amb17486617 [0,0,0,0,0,1|2,0,1]=4 309 B16R2.252 O=C1CC(CCc2ccccc2)CCC1 Amb24399107 [0,0,0,0,0,1|3,0,0]=4 310 B16R2.252 O=C1CC(CCc2ccccc2)NCC1 Amb18785348 [0,0,0,0,0,1|3,0,0]=4 311 B16R2.2832 Cc1[n]c(CSCc2ccccc2)[n]o1 Amb19420677 [0,0,0,0,0,1|2,0,1]=4 312 B16R2.2832 Nc1[nH][n]c(COCc2ccccc2)[n]1 Amb24571620 [0,0,0,0,0,1|2,0,1]=4 313 B16R2.2832 Nc1[nH]nc(n1)SCCc2ccccc2 Amb1566773 [0,0,0,0,0,1|2,0,1]=4 314 B16R2.2832 Nc1[n][n](COCc2ccccc2)c[n]1 Amb25848339 [0,0,0,0,0,1|2,0,1]=4 315 B16R2.2832 Nc1[n]c(CNCc2ccccc2)c[s]1 Amb18866843 [0,0,0,0,0,1|0,1,2]=4 316 B16R2.2832 Nc1cc[n](CCCc2ccccc2)[n]1 Amb19018439 [0,0,0,0,0,1|2,0,1]=4 317 B16R2.2832 Nc1cc[n](CCOc2ccccc2)[n]1 Amb20674786 [0,0,0,0,0,1|2,0,1]=4 318 B16R2.2832 Nc1cc[n](COCc2ccccc2)[n]1 Amb18654274 [0,0,0,0,0,1|2,0,1]=4 319 B16R2.2832 Nc1onc(c1)CCOc2ccccc2 Amb17238019 [0,0,0,0,0,1|2,0,1]=4 320 B16R2.2832 Nc1snc(n1)SCCc2ccccc2 Amb2148708 [0,0,0,0,0,1|1,1,1]=4 321 B16R2.2832 O=C1CC(CN1)COCc2ccccc2 Amb24416706 [0,0,0,0,0,1|3,0,0]=4 322 B16R2.2832 O=C1CCC(COCc2ccccc2)N1 Amb24681146 [0,0,0,0,0,1|2,0,1]=4 323 B16R2.2832 O=C1CCC(COCc2ccccc2)O1 Amb25378980 [0,0,0,0,0,1|3,0,0]=4 324 B16R2.2832 O=C1CCC(N1)CNCc2ccccc2 Amb10607307 [0,0,0,0,0,1|2,0,1]=4 325 B16R2.2832 O=C1CC[C@@H](CNCc2ccccc2)N1 Amb22586685 [0,0,0,0,0,1|2,0,1]=4 326 B16R2.2832 O=C1CC[C@@H](COCc2ccccc2)N1 Amb24418408 [0,0,0,0,0,1|2,0,1]=4 327 B16R2.2832 O=C1CC[C@H](N1)CNCc2ccccc2 Amb10844923 [0,0,0,0,0,1|2,0,1]=4 328 B16R2.2832 O=C1NCC(CNCc2ccccc2)O1 Amb25137274 [0,0,0,0,0,1|3,0,0]=4 329 B16R2.2832 O=C1NC[C@@H](CNCc2ccccc2)O1 Amb25040024 [0,0,0,0,0,1|3,0,0]=4 330 B16R2.2832 O=C1N[C@H](CO1)COCc2ccccc2 Amb25103672 [0,0,0,0,0,1|1,0,1]=3 331 B16R2.2832 O=C1OCC(O1)COCc2ccccc2 Amb10071643 [0,0,0,0,0,1|2,0,0]=3 332 B16R2.2832 Sc1[n]c(COCc2ccccc2)[n]o1 Amb25257793 [0,0,0,0,0,1|2,0,1]=4 333 B13R1.28 NCCCCCCc1ccccc1 Amb17233312 [1,0,1,0,0,0|1,0,1]=4 334 B13R1.28 NCCCCCCc1ccccc1 Amb17619338 [1,0,1,0,0,0|1,0,1]=4 335 B13R1.42 CC(CC=O)CCc1ccccc1 Amb21618942 [1,0,1,0,0,0|1,0,1]=4 336 B13R1.42 NCCC(CCc1ccccc1)O Amb17233561 [1,0,1,0,0,0|1,0,1]=4 337 B13R1.42 NOCC(COc1ccccc1)O Amb17104957 [1,0,1,0,0,0|2,0,0]=4 338 B13R1.337 C\C(\N)=N\CCNc1cc[n]cc1 Amb25086386 [1,0,1,0,0,0|2,0,0]=4 339 B13R1.337 C\C(\N)=N\CCNc1cccc[n]1 Amb25144299 [1,0,1,0,0,0|2,0,0]=4 340 B13R1.337 NC(=N)SCCCc1ccccc1 Amb20676023 [1,0,1,0,0,0|2,0,0]=4 341 B13R1.337 NC(=O)NCCCc1ccccc1 Amb19514748 [1,0,1,0,0,0|0,0,2]=4 342 B13R1.417 C=CC(CO)NCc1ccccc1 Amb18127993 [1,0,1,0,0,0|2,0,0]=4 343 B13R1.417 C=C[C@@H](CO)NCc1ccccc1 Amb25096449 [1,0,1,0,0,0|2,0,0]=4 344 B13R1.417 C=C[C@H](CO)NCc1ccccc1 Amb24695272 [1,0,1,0,0,0|2,0,0]=4 345 B13R1.417 NCC(CO)OCc1ccccc1 Amb18648509 [1,0,1,0,0,0|1,0,1]=4 346 B13R1.417 NC[C@@H](CO)NCc1ccccc1 Amb22754573 [1,0,1,0,0,0|1,0,1]=4 347 B13R1.417 NC[C@@H](CO)OCc1ccccc1 Amb25806773 [1,0,1,0,0,0|1,0,1]=4 348 B13R1.417 OCC(C=O)OCc1ccccc1 Amb16231873 [1,0,1,0,0,0|2,0,0]=4 349 B13R1.417 OC[C@@H](C=O)OCc1ccccc1 Amb19930161 [1,0,1,0,0,0|2,0,0]=4 350 B13R1.417 OC[C@H](C=O)OCc1ccccc1 Amb24682827 [1,0,1,0,0,0|2,0,0]=4 351 B15R1.131 Cc1ccccc1OCCCSC(N)=N Amb24085207 [0,1,1,0,0,0|1,1,0]=4 352 B15R1.1081 CN(Cc1ccccc1)CCNC(N)=N Amb18567807 [0,1,1,0,0,0|2,0,0]=4 353 B15R1.1081 NC(=N)NCCS(=O)Cc1ccccc1 Amb25541183 [0,1,1,0,0,0|2,0,0]=4 354 B15R1.9084 CC(COCc1ccccc1)NC(N)=N Amb24531272 [0,1,1,0,0,0|2,0,0]=4 355 B15R1.26 CNC(N)=NCCOc1ccc(Cl)cc1 Amb20631937 [0,1,1,0,0,0|2,0,0]=4 356 B15R1.26 COC(=O)CCCCc1ccc(O)cc1 Amb22490523 [0,1,1,0,0,0|2,0,0]=4 357 B15R1.778 CONC(=O)NCCCc1ccccc1 Amb11298270 [0,1,1,0,0,0|1,0,1]=4 358 B15R1.959 COC(=O)CCCC(O)c1ccccc1 Amb18627401 [0,1,1,0,0,0|2,0,0]=4 359 B15R1.964 COC(=O)CCC(N)Cc1ccccc1 Amb22059181 [0,1,1,0,0,0|2,0,0]=4 360 B15R1.964 COC(=O)NCC(O)Cc1ccccc1 Amb21941929 [0,1,1,0,0,0|1,0,1]=4 361 B15R2.55 O[C@@H]1CC=C[C@@H]1CCc2ccccc2 Amb25257051 [1,1,0,0,0,0|2,0,0]=4 362 B15R2.64 NC(Cc1ccccc1)C2CCOC2 Amb18974394 [1,1,0,0,0,0|1,0,1]=4 363 B15R2.64 OC(Cc1ccccc1)C2CCOC2 Amb19041641 [1,1,0,0,0,0|1,0,1]=4 364 B15R2.100 Clc1ccc(CCC2CNC=N2)cc1 Amb25764350 [1,1,0,0,0,0|1,0,0]=3 365 B15R2.100 Clc1ccc(cc1)OCC2CNC=N2 Amb25828515 [1,1,0,0,0,0|2,0,0]=4 366 B15R2.1259 ClC(CC1CCC=C1)c2ccccc2 Amb24759088 [1,1,0,0,0,0|2,0,0]=4 367 B15R2.1259 NC(CC1CCOC1)c2ccccc2 Amb18995894 [1,1,0,0,0,0|1,0,1]=4 368 B15R2.8863 OC1(COCC1)CCc2ccccc2 Amb20667819 [1,1,0,0,0,0|1,0,1]=4 369 B15R2.15 C=CC1=N[C@@H](Cc2ccccc2)CO1 Amb22747341 [0,1,0,0,1,0|1,0,0]=3 370 B15R2.15 CNC1=NC(Cc2ccccc2)CS1 Amb24351509 [0,1,0,0,1,0|0,1,0]=3 371 B15R2.15 CNC1=N[C@@H](Cc2ccccc2)CS1 Amb24716819 [0,1,0,0,1,0|0,1,0]=3 372 B15R2.15 CNc1[n]c(Cc2ccccc2)[n]o1 Amb18993445 [0,1,0,0,1,0|1,0,1]=4 373 B15R2.15 COC1=NC(CO1)Cc2ccccc2 Amb22549387 [0,1,0,0,1,0|1,0,0]=3 374 B15R2.15 ClCC1=NC(Cc2ccccc2)CO1 Amb25690850 [0,1,0,0,1,0|1,0,0]=3 375 B15R2.15 ClCC1=N[C@H](Cc2ccccc2)CO1 Amb25758763 [0,1,0,0,1,0|1,0,0]=3 376 B15R2.15 NCc1onc(n1)Cc2ccccc2 Amb1094153 [0,1,0,0,1,0|1,0,1]=4 377 B15R2.15 NCc1onc(n1)Cc2ccccc2 Amb13951236 [0,1,0,0,1,0|1,0,1]=4 378 B15R2.15 NNc1[n]c(Cc2ccccc2)[n]o1 Amb19072897 [0,1,0,0,1,0|1,0,1]=4 379 B15R2.98 Cc1ccc(CC2CSC(N)=N2)cc1 Amb24460841 [0,1,0,0,1,0|0,1,0]=3 380 B15R2.98 Cc1ccc(C[C@H]2COC(N)=N2)cc1 Amb24404825 [0,1,0,0,1,0|0,0,0]=2 381 B15R2.98 Cc1ccc(Cc2[n]oc(N)[n]2)cc1 Amb18961694 [0,1,0,0,1,0|1,0,1]=4 382 B15R2.98 NC1=NC(Cc2ccc(Cl)cc2)CO1 Amb24360401 [0,1,0,0,1,0|0,0,0]=2 383 B15R2.98 NC=1CCN(Cc2ccc(Br)cc2)N1 Amb25131966 [0,1,0,0,1,0|2,0,0]=4 384 B15R2.98 NC=1CCN(Cc2ccc(Cl)cc2)N1 Amb25665482 [0,1,0,0,1,0|2,0,0]=4 385 B15R2.98 Nc1[n]c(Cc2ccc(Cl)cc2)[n]o1 Amb18961684 [0,1,0,0,1,0|1,0,1]=4 386 B15R2.98 Nc1ccc(C[C@@H]2COC(=O)N2)cc1 Amb19130394 [0,1,0,0,1,0|1,0,1]=4 387 B15R2.297 CC(C1CN=C(N)N1)c2ccccc2 Amb24561590 [0,1,0,0,1,0|1,0,1]=4 388 B15R2.297 CC(C1CN=C(N)O1)c2ccccc2 Amb25069782 [0,1,0,0,1,0|2,0,0]=4 389 B15R2.297 NC(C1COC(=O)N1)c2ccccc2 Amb24347364 [0,1,0,0,1,0|1,0,1]=4 390 B15R2.297 Nc1[n]c([n]o1)C(O)c2ccccc2 Amb18650746 [0,1,0,0,1,0|1,0,1]=4 391 B15R2.297 O=C1O[C@@H](CO1)[C@@H](Cl)c2ccccc2 Amb25317255 [0,1,0,0,1,0|2,0,0]=4 392 B15R2.297 O=C1O[C@@H](CO1)[C@H](Cl)c2ccccc2 Amb24672562 [0,1,0,0,1,0|2,0,0]=4 393 B15R2.297 OC(C1COC(=O)C1)c2ccccc2 Amb25803001 [0,1,0,0,1,0|2,0,0]=4 394 B15R2.297 OC(C1COC(=O)N1)c2ccccc2 Amb24418449 [0,1,0,0,1,0|1,0,1]=4 395 B15R2.297 OC(C1COC(=O)O1)c2ccccc2 Amb24718649 [0,1,0,0,1,0|2,0,0]=4 396 B15R2.297 O[C@H]([C@@H]1COC(=O)N1)c2ccccc2 Amb24513124 [0,1,0,0,1,0|1,0,1]=4 397 B15R2.297 O[C@H]([C@H]1COC(=O)C1)c2ccccc2 Amb24719808 [0,1,0,0,1,0|2,0,0]=4 398 B15R2.297 O[C@H]([C@H]1COC(=O)O1)c2ccccc2 Amb25215369 [0,1,0,0,1,0|2,0,0]=4 399 B15R2.305 Cc1ccccc1CC2COC(N)=N2 Amb24402930 [0,1,0,0,1,0|0,0,0]=2 400 B15R2.305 Cc1ccccc1C[C@H]2COC(N)=N2 Amb25165985 [0,1,0,0,1,0|0,0,0]=2 401 B15R2.305 Cc1ccccc1Cc2[n]oc(N)[n]2 Amb18286090 [0,1,0,0,1,0|1,0,1]=4 402 B15R2.305 Cc1ccccc1OC2CNC(N)=N2 Amb24521892 [0,1,0,0,1,0|2,0,0]=4 403 B15R2.305 NC1=N[C@@H](Cc2ccccc2F)CO1 Amb25165986 [0,1,0,0,1,0|0,0,0]=2 404 B15R2.305 NC=1CCN(Cc2ccccc2Br)N1 Amb25260342 [0,1,0,0,1,0|2,0,0]=4 405 B15R2.305 NC=1CCN(Cc2ccccc2F)N1 Amb25672487 [0,1,0,0,1,0|2,0,0]=4 406 B15R2.305 Nc1[n]c(Cc2ccccc2Cl)[n]o1 Amb18961696 [0,1,0,0,1,0|1,0,1]=4 407 B15R2.305 Nc1[n]c(Cc2ccccc2F)[n]o1 Amb18961697 [0,1,0,0,1,0|1,0,1]=4 408 B15R2.305 O=C1NC(Cc2ccccc2Br)CO1 Amb25216305 [0,1,0,0,1,0|1,0,1]=4 409 B15R2.305 Oc1ccccc1CC2COC(=O)N2 Amb25270775 [0,1,0,0,1,0|1,0,1]=4 410 B15R2.325 CC1CC(N)=NN1Cc2ccccc2 Amb24696327 [0,1,0,0,1,0|2,0,0]=4 411 B15R2.325 CC1OC(=O)NC1Cc2ccccc2 Amb25840945 [0,1,0,0,1,0|1,0,1]=4 412 B15R2.325 C[C@@H]1OC(N)=N[C@H]1Cc2ccccc2 Amb25179225 [0,1,0,0,1,0|0,0,0]=2 413 B15R2.325 C[C@@H]1SC(N)=N[C@@H]1Cc2ccccc2 Amb24642577 [0,1,0,0,1,0|0,1,0]=3 414 B15R2.325 C[C@H]1OC(N)=N[C@H]1Cc2ccccc2 Amb25179226 [0,1,0,0,1,0|0,0,0]=2 415 B15R2.325 C[C@H]1SC(N)=N[C@@H]1Cc2cc[n]cc2 Amb24642576 [0,1,0,0,1,0|1,1,0]=4 416 B15R2.325 C[C@H]1SC(N)=N[C@@H]1Cc2ccccc2 Amb24716798 [0,1,0,0,1,0|0,1,0]=3 417 B15R2.325 C[C@H]1SC(N)=N[C@H]1Cc2ccccc2 Amb24628998 [0,1,0,0,1,0|0,1,0]=3 418 B15R2.325 NC=1NC(=O)C(Cc2ccccc2)N1 Amb24714422 [0,1,0,0,1,0|1,0,1]=4 419 B15R2.1115 Cc1cc(CC2COC(N)=N2)ccc1 Amb24342877 [0,1,0,0,1,0|0,0,0]=2 420 B15R2.1115 Cc1cc(C[C@H]2COC(N)=N2)ccc1 Amb25077288 [0,1,0,0,1,0|0,0,0]=2 421 B15R2.1115 Cc1cc(Cc2[n]oc(N)[n]2)ccc1 Amb18961699 [0,1,0,0,1,0|1,0,1]=4 422 B15R2.1115 NC1=NC(Cc2cc[n]c(O)c2)CS1 Amb24592656 [0,1,0,0,1,0|1,1,0]=4 423 B15R2.1115 NC1=N[C@@H](Cc2cccc(Cl)c2)CO1 Amb24547023 [0,1,0,0,1,0|0,0,0]=2 424 B15R2.1115 NC1=N[C@@H](Cc2cccc(F)c2)CO1 Amb25250688 [0,1,0,0,1,0|0,0,0]=2 425 B15R2.1115 NC=1CCN(Cc2cccc(F)c2)N1 Amb25797791 [0,1,0,0,1,0|2,0,0]=4 426 B15R2.1115 NC=1CCN(Cc2cccc(O)c2)N1 Amb18650873 [0,1,0,0,1,0|2,0,0]=4 427 B15R2.1115 Nc1[n]c(Cc2cc(Cl)ccc2)[n]o1 Amb18961689 [0,1,0,0,1,0|1,0,1]=4 428 B15R2.1115 Nc1[n]c(Cc2cc(F)ccc2)[n]o1 Amb18961695 [0,1,0,0,1,0|1,0,1]=4 429 B15R2.1115 O=C1CC(Cc2cccc(F)c2)CO1 Amb24450058 [0,1,0,0,1,0|2,0,0]=4 430 B15R2.4083 CN1C(Cc2ccccc2)CN=C1N Amb25679239 [0,1,0,0,1,0|1,0,1]=4 431 B15R2.4083 CN1C(Cc2ccccc2)COC1=O Amb18559293 [0,1,0,0,1,0|1,0,1]=4 432 B15R2.4083 OC1C(COC1=O)Cc2ccccc2 Amb25266444 [0,1,0,0,1,0|2,0,0]=4 433 B15R2.4086 CC1(Cc2ccccc2)CN=C(N)O1 Amb25845463 [0,1,0,0,1,0|2,0,0]=4 434 B15R2.612 CC(CC1CC(=O)N1)c2ccccc2 Amb25728531 [0,1,0,0,1,0|1,0,1]=4 435 B17R2.2523 NCc1[n]c(COCc2ccccc2)[n]o1 Amb25856419 [0,1,0,0,0,1|1,0,1]=4 436 B17R2.3229 CN(Cc1ccccc1)CC2CN=C(N)O2 Amb25290268 [0,1,0,0,0,1|2,0,0]=4 437 B17R2.3231 CC1=NC(CO1)C(=O)NCc2ccccc2 Amb24757582 [0,1,0,0,0,1|1,0,1]=4 438 B17R2.3231 CC1=N[C@H](CO1)C(=O)NCc2ccccc2 Amb25177845 [0,1,0,0,0,1|1,0,1]=4 439 B17R2.4579 CNCc1[n]c(CCc2ccccc2)[n]o1 Amb25392996 [0,2,0,0,0,0|1,0,1]=4 440 B17R2.4579 NCCc1[n]c(CCc2ccccc2)[n]o1 Amb25392997 [0,2,0,0,0,0|1,0,1]=4 441 B17R2.5637 CC(N)c1[n]c(CCc2ccccc2)[n]o1 Amb25392998 [0,2,0,0,0,0|1,0,1]=4 442 B17R2.5637 C[C@@H](N)c1[n]c(CCc2ccccc2)[n]o1 Amb24782689 [0,2,0,0,0,0|1,0,1]=4 443 B17R2.5637 C[C@H](N)c1[n]c(CCc2ccccc2)[n]o1 Amb24782688 [0,2,0,0,0,0|1,0,1]=4 444 B15R2.355 O[C@H]1COC(=O)[C@H]1Cc2ccccc2 Amb25222249 [0,0,1,1,0,0|2,0,0]=4 445 B15R2.31 NC1=N[C@@H](Cc2ccccc2)CCS1 Amb25368409 [0,0,1,1,0,0|0,1,0]=3 446 B15R2.31 NC1=N[C@H](Cc2ccccc2)CCS1 Amb24453760 [0,0,1,1,0,0|0,1,0]=3 447 B15R2.31 O=C1NC(Cc2ccccc2)CCN1 Amb25081057 [0,0,1,1,0,0|2,0,0]=4 448 B15R2.63 NC(=N)N1CCCC1c2ccc[n]c2 Amb24681058 [0,0,1,1,0,0|2,0,0]=4 449 B15R2.63 NC(=N)N1CCC[C@H]1c2ccc[n]c2 Amb24506551 [0,0,1,1,0,0|2,0,0]=4 450 B15R2.63 NC(=O)C1CCCC1c2ccccc2 Amb24441590 [0,0,1,1,0,0|2,0,0]=4 451 B15R2.63 NC(=O)[C@@H]1CCC[C@@H]1c2ccccc2 Amb25295459 [0,0,1,1,0,0|2,0,0]=4 452 B15R2.569 O=C1CCCCCc2ccccc2N1 Amb25782148 [0,0,1,1,0,0|2,0,0]=4 453 B15R2.1222 NC(=N)NC1CC1Oc2ccccc2 Amb25178106 [0,0,1,1,0,0|2,0,0]=4 454 B15R2.1222 NC(=N)N[C@@H]1C[C@H]1Oc2ccccc2 Amb25249100 [0,0,1,1,0,0|2,0,0]=4 455 B15R2.1241 NC(=O)C1CCC1Cc2ccccc2 Amb25301776 [0,0,1,1,0,0|2,0,0]=4 456 B15R2.1241 NC(=O)[C@@H]1CC[C@@H]1Cc2ccccc2 Amb24519177 [0,0,1,1,0,0|2,0,0]=4 457 B15R2.1241 NC(=O)[C@H]1CC[C@@H]1Cc2ccccc2 Amb25212331 [0,0,1,1,0,0|2,0,0]=4 458 B15R2.68122 CC(=N)NC1CCCc2ccccc21 Amb25205976 [0,0,1,1,0,0|2,0,0]=4 459 B15R2.68122 CC(=O)OC1CCCc2ccccc21 Amb22170321 [0,0,1,1,0,0|2,0,0]=4 460 B15R2.68122 NC(=N)CC1CCCc2ccccc21 Amb22123119 [0,0,1,1,0,0|1,0,0]=3 461 B15R2.68122 NC(=N)CC1CCCc2ccccc21 Amb25785261 [0,0,1,1,0,0|1,0,0]=3 462 B15R2.68122 NC(=N)NC1CCCc2ccccc21 Amb19072435 [0,0,1,1,0,0|1,0,0]=3 463 B15R2.68122 NC(=N)NC1CCOc2ccccc21 Amb19073303 [0,0,1,1,0,0|2,0,0]=4 464 B15R2.68122 NC(=O)CC1CCCc2c1cccc2 Amb17234746 [0,0,1,1,0,0|2,0,0]=4 465 B15R2.68122 NC(=O)N[C@H]1CCCc2ccccc21 Amb24348067 [0,0,1,1,0,0|2,0,0]=4 466 B15R2.68122 NC(=S)CC1CCCc2ccccc21 Amb24758785 [0,0,1,1,0,0|2,0,0]=4 467 B15R2.69183 NC(=O)C1CCCCc2ccccc21 Amb24692806 [0,0,1,1,0,0|2,0,0]=4 468 B15R2.4 COC(=O)N[C@@H]1CCc2ccccc21 Amb24581267 [0,0,1,1,0,0|1,0,1]=4 469 B15R2.4 COC(=O)N[C@H]1CCc2ccccc21 Amb24347058 [0,0,1,1,0,0|1,0,1]=4 470 B15R2.17 COC=1N[C@@H](C=NN1)c2ccccc2 Amb24424444 [0,0,1,1,0,0|1,0,1]=4 471 B15R2.548 NC=1CCCC(CN1)c2ccccc2 Amb25672635 [0,0,1,1,0,0|2,0,0]=4 472 B15R2.1600 COC(=O)C1CCC1c2ccccc2 Amb23453479 [0,0,1,1,0,0|2,0,0]=4 473 B15R2.1621 C\C(=N\C1CC1c2ccccc2)\OC Amb22356821 [0,0,1,1,0,0|1,0,0]=3 474 B15R2.79185 COC(=O)NCC1Cc2ccccc21 Amb25115800 [0,0,1,1,0,0|1,0,1]=4 475 B15R2.79765 COC(=O)N1CCCc2c1cccc2 Amb1077839 [0,0,1,1,0,0|1,0,1]=4 476 B15R2.27 CC1CC(NC(=O)O1)c2ccccc2 Amb25324486 [0,0,1,1,0,0|1,0,1]=4 477 B15R2.27 CC=1NC(CN(C)N1)c2ccccc2 Amb25309444 [0,0,1,1,0,0|2,0,0]=4 478 B15R2.27 C[C@@H]1C[C@H](OC(=O)N1)c2ccccc2 Amb25229570 [0,0,1,1,0,0|1,0,1]=4 479 B15R2.27 C[C@H]1C[C@@H](NC(=O)O1)c2ccccc2 Amb24622508 [0,0,1,1,0,0|1,0,1]=4 480 B15R2.27 OC1=NC(=O)CC(N1)c2ccccc2 Amb10230587 [0,0,1,1,0,0|1,0,1]=4 481 B15R2.1162 CC1CCc2ccccc2N1C(N)=N Amb25774490 [0,0,1,1,0,0|1,0,1]=4 482 B15R2.1162 CC1CCc2ccccc2N1C(N)=S Amb25836295 [0,0,1,1,0,0|0,1,1]=4 483 B15R2.1162 C[C@H]1CCc2ccccc2[C@H]1C(O)=O Amb25179287 [0,0,1,1,0,0|2,0,0]=4 484 B15R2.1224 OC(=O)CC1CC(C1)c2ccccc2 Amb25211758 [0,0,1,1,0,0|2,0,0]=4 485 B15R2.1668 NC(=N)NC1Cc2ccccc2CC1 Amb19072434 [0,0,1,1,0,0|1,0,1]=4 486 B15R2.1668 NC(=O)NC1Cc2ccccc2CC1 Amb19073000 [0,0,1,1,0,0|0,0,2]=4 487 B15R2.1668 OC(=O)CC1CCc2ccccc2C1 Amb17940131 [0,0,1,1,0,0|2,0,0]=4 488 B15R2.1668 OC(=O)C[C@@H]1Cc2ccccc2CC1 Amb24498393 [0,0,1,1,0,0|2,0,0]=4 489 B15R2.1668 OC(=O)C[C@H]1Cc2ccccc2CC1 Amb24498392 [0,0,1,1,0,0|2,0,0]=4 490 B15R2.19829 OC(=O)CC1(C)CCc2c1cccc2 Amb17470747 [0,0,1,1,0,0|2,0,0]=4 491 B15R2.1682 OCC1CC(C(=O)N1)c2ccccc2 Amb22749928 [0,0,1,1,0,0|1,0,1]=4 492 B15R2.2220 C=CCC1CCc2ccccc2C1O Amb19077254 [0,0,1,1,0,0|2,0,0]=4 493 B15R2.2220 NCCC1CCc2ccccc2C1O Amb18818193 [0,0,1,1,0,0|1,0,1]=4 494 B15R2.2220 [N-]=[N+]=N[C@@H]1CCc2ccccc2[C@@H]1O Amb25249740 [0,0,1,1,0,0|1,0,1]=4 495 B15R2.2220 [N-]=[N+]=N[C@@H]1CCc2ccccc2[C@H]1O Amb25211356 [0,0,1,1,0,0|1,0,1]=4 496 B15R2.16920 C\C=C\[C@]1(CO)C[C@@H]1c2ccccc2 Amb25261929 [0,0,1,1,0,0|2,0,0]=4 497 B15R3.4209 C1C2C=CC1CC2c3ccccc3 Amb20621963 [1,0,0,1,0,0|2,0,0]=4 498 B15R3.2009 NC1=N[C@H]2[C@H](Cc3ccccc32)O1 Amb25179393 [0,0,0,1,1,0|2,0,0]=4 499 B15R3.2009 NC=1NC2C(Cc3ccccc32)N1 Amb25243086 [0,0,0,1,1,0|1,0,0]=3 500 B15R3.2009 O=C1C[C@H]2Cc3ccccc3[C@H]2O1 Amb24087833 [0,0,0,1,1,0|2,0,0]=4 501 B15R3.2009 O=C1NC2Cc3ccccc3C2O1 Amb24343848 [0,0,0,1,1,0|1,0,1]=4 502 B15R3.2009 O=C1N[C@@H]2Cc3ccccc3[C@@H]2O1 Amb24600055 [0,0,0,1,1,0|1,0,1]=4 503 B15R3.10083 O=C1OC[C@@H]2Cc3ccccc3N12 Amb25710714 [0,0,0,1,1,0|1,0,1]=4 504 B15R3.485 NC1CC2C1CCc3ccccc32 Amb24609804 [0,0,0,1,1,0|1,0,1]=4 505 B15R3.485 O=C1C[C@@H]2[C@H]1CCc3ccccc32 Amb24629252 [0,0,0,1,1,0|2,0,0]=4 506 B15R3.485 O=C1N[C@@H]2[C@H]1CCc3c2cccc3 Amb1994019 [0,0,0,1,1,0|2,0,0]=4 507 B15R3.485 O=C1N[C@H]2[C@@H]1CCc3c2cccc3 Amb1994021 [0,0,0,1,1,0|2,0,0]=4 508 B15R3.522 O=C1CC2(CC2c3ccccc3)C1 Amb24492538 [0,0,0,1,1,0|2,0,0]=4 509 B13R1.718 CCC(=O)CCCc1ccccc1 Amb17138784 [0,0,1,0,1,0|2,0,0]=4 510 B13R1.718 CC\C(\N)=N\OCc1ccccc1 Amb24626643 [0,0,1,0,1,0|2,0,0]=4 511 B13R1.718 COC(=N)CNCc1ccccc1 Amb25074070 [0,0,1,0,1,0|1,0,1]=4 512 B13R1.718 COC(=N)COCc1ccccc1 Amb24607698 [0,0,1,0,1,0|1,0,1]=4 513 B13R1.718 COC(=O)CCCc1cc[n]cc1 Amb19888651 [0,0,1,0,1,0|2,0,0]=4 514 B13R1.718 COC(=O)CCCc1ccc[n]c1 Amb24066737 [0,0,1,0,1,0|2,0,0]=4 515 B13R1.718 COC(=O)CCNc1ccccc1 Amb1930724 [0,0,1,0,1,0|2,0,0]=4 516 B13R1.718 COC(=O)CC[NH2+]c1ccccc1 Amb10553942 [0,0,1,0,1,0|2,0,0]=4 517 B13R1.718 COC(=O)CNCc1ccccc1 Amb21929289 [0,0,1,0,1,0|2,0,0]=4 518 B13R1.718 N\C(\CCCc1ccccc1)=N\O Amb22551827 [0,0,1,0,1,0|2,0,0]=4 519 B13R1.348 CC(Cc1ccccc1)CC(=O)O Amb17233403 [0,0,1,0,1,0|2,0,0]=4 520 B13R1.348 CC(Cc1ccccc1)NC(N)=N Amb18178447 [0,0,1,0,1,0|1,0,1]=4 521 B13R1.348 C[C@H](Cc1ccccc1)NC(N)=O Amb25766034 [0,0,1,0,1,0|0,0,2]=4 522 B13R1.351 CC(C(=O)N)COc1ccccc1 Amb17233540 [0,0,1,0,1,0|1,0,1]=4 523 B13R1.351 CC(C(=O)O)CCc1ccncc1 Amb17335289 [0,0,1,0,1,0|2,0,0]=4 524 B13R1.351 CC(C(=O)O)NCc1ccccc1 Amb10199880 [0,0,1,0,1,0|2,0,0]=4 525 B13R1.351 CC(C(=O)O)NCc1ccccc1 Amb1111423 [0,0,1,0,1,0|2,0,0]=4 526 B13R1.351 CC(C(=O)O)SCc1ccccc1 Amb1137630 [0,0,1,0,1,0|2,0,0]=4 527 B13R1.351 CC(OCc1ccccc1)C(N)=N Amb18184337 [0,0,1,0,1,0|2,0,0]=4 528 B13R1.351 CC(OCc1ccccc1)C(N)=S Amb19063930 [0,0,1,0,1,0|1,1,0]=4 529 B13R1.351 C[C@@H](OCc1ccccc1)C(N)=O Amb25192194 [0,0,1,0,1,0|1,0,1]=4 530 B13R1.351 C[C@H](C(=O)O)NCc1ccccc1 Amb16185448 [0,0,1,0,1,0|2,0,0]=4 531 B13R1.351 C[C@H](OCc1ccccc1)C(O)=O Amb25072743 [0,0,1,0,1,0|2,0,0]=4 532 B13R1.351 NC(=O)C(N)CCc1ccccc1 Amb19035976 [0,0,1,0,1,0|1,0,1]=4 533 B13R1.351 N[C@H](CCc1ccccc1)C(O)=O Amb17872441 [0,0,1,0,1,0|2,0,0]=4 534 B13R1.351 OC(=O)C(Br)CCc1ccccc1 Amb18662872 [0,0,1,0,1,0|2,0,0]=4 535 B13R1.351 OC(=O)C(CCc1ccccn1)C Amb17335286 [0,0,1,0,1,0|2,0,0]=4 536 B13R1.351 OC(=O)C(CCc1cccnc1)C Amb17233532 [0,0,1,0,1,0|2,0,0]=4 537 B13R1.351 O[C@H](C(=O)O)CCc1ccccc1 Amb10603260 [0,0,1,0,1,0|2,0,0]=4 538 B13R2.64 C(C1CCN=N1)c2ccccc2 Amb24062003 [1,0,0,0,1,0|2,0,0]=4 539 B13R2.64 C1N=CNC1Cc2ccccc2 Amb25201736 [1,0,0,0,1,0|1,0,1]=4 540 B13R2.64 C1NC(CO1)Cc2ccccc2 Amb18563410 [1,0,0,0,1,0|0,0,2]=4 541 B13R2.2383 C(NC1COC1)c2ccccc2 Amb22586474 [1,0,0,0,1,0|1,0,1]=4 542 B13R2.2383 C(NC1COC1)c2ccccc2 Amb22899641 [1,0,0,0,1,0|1,0,1]=4 543 B13R2.2383 C1NCC1CCc2ccccc2 Amb25266065 [1,0,0,0,1,0|1,0,1]=4 544 B13R2.10 CC1=NC(CO1)c2ccccc2 Amb24754160 [0,0,0,0,2,0|1,0,0]=3 545 B13R2.10 N=C1N[C@H](CO1)c2ccccc2 Amb25326051 [0,0,0,0,2,0|0,0,2]=4 546 B13R2.10 NC1=NC(CO1)c2ccccc2 Amb17619912 [0,0,0,0,2,0|0,0,0]=2 547 B13R2.10 NC1=NCC(O1)c2ccccc2 Amb17608294 [0,0,0,0,2,0|2,0,0]=4 548 B13R2.10 NC1=NCC(S1)c2ccccc2 Amb25060735 [0,0,0,0,2,0|2,0,0]=4 549 B13R2.10 NC1N=C(CO1)c2ccccc2 Amb24493499 [0,0,0,0,2,0|0,0,2]=4 550 B13R2.10 NC=1CCC(N1)c2ccccc2 Amb24391515 [0,0,0,0,2,0|1,0,0]=3 551 B13R2.10 Nc1[n][n+]([n]o1)-c2ccccc2 Amb25074600 [0,0,0,0,2,0|2,0,0]=4 552 B13R2.10 Nc1[n]c(co1)-c2ccccc2 Amb22757221 [0,0,0,0,2,0|0,0,2]=4 553 B13R2.10 Nc1occ(n1)c2ccccc2 Amb17400068 [0,0,0,0,2,0|0,0,2]=4 554 B13R2.27 O=C1CC[C@@H]1Cc2ccccc2 Amb25792997 [0,0,0,0,2,0|2,0,0]=4 555 B13R2.27 O=C1NC[C@@H]1Cc2ccccc2 Amb24711591 [0,0,0,0,2,0|2,0,0]=4 556 B13R2.31 NC1CC(Cc2ccccc2)C1 Amb23401475 [0,0,0,0,2,0|1,0,1]=4 557 B13R2.31 O=C1CC(Cc2ccccc2)C1 Amb23401474 [0,0,0,0,2,0|2,0,0]=4 558 B13R2.31 O=C1C[C@H](Cc2ccccc2)N1 Amb24757761 [0,0,0,0,2,0|1,0,1]=4 559 B13R2.17 ClC1CC1CCc2ccccc2 Amb25737816 [0,0,0,0,2,0|1,0,1]=4 560 B13R2.17 Cl[C@@H]1C[C@@H]1CCc2ccccc2 Amb24617348 [0,0,0,0,2,0|1,0,1]=4 561 B13R2.17 Cl[C@@H]1C[C@H]1CCc2ccccc2 Amb24745759 [0,0,0,0,2,0|1,0,1]=4 562 B13R2.17 NC1CC1CCc2ccccc2 Amb25106873 [0,0,0,0,2,0|0,0,1]=3 563 B13R2.17 NC1CC1COc2ccccc2 Amb23538746 [0,0,0,0,2,0|1,0,1]=4 564 B15R1.504 CC(=N)NCCCOCc1ccccc1 Amb25257442 [0,0,1,0,0,1|2,0,0]=4 565 B15R1.504 CC(=O)OCCCNCc1ccccc1 Amb18266489 [0,0,1,0,0,1|2,0,0]=4 566 B15R1.504 NC(=N)CCCCOCc1ccccc1 Amb25214522 [0,0,1,0,0,1|1,0,0]=3 567 B15R1.504 NC(=N)NCCCCCc1ccccc1 Amb19320760 [0,0,1,0,0,1|1,0,0]=3 568 B15R1.504 NC(=N)NNCCCOc1ccccc1 Amb22447686 [0,0,1,0,0,1|2,0,0]=4 569 B15R1.504 NC(=N)SCCCOCc1ccccc1 Amb25802156 [0,0,1,0,0,1|0,1,0]=3 570 B15R1.504 NC(=O)CCCCNCc1ccccc1 Amb24624957 [0,0,1,0,0,1|2,0,0]=4 571 B15R1.504 NC(=O)OCCCNCc1ccccc1 Amb25087951 [0,0,1,0,0,1|1,0,0]=3 572 B15R1.504 NC(=S)CCCCOCc1ccccc1 Amb25049696 [0,0,1,0,0,1|2,0,0]=4 573 B15R1.504 NC(=S)NCCCOCc1ccccc1 Amb24620736 [0,0,1,0,0,1|2,0,0]=4 574 B15R1.504 NC(N)=NCCCNCc1ccccc1 Amb25691428 [0,0,1,0,0,1|1,0,1]=4 575 B15R1.1306 [N-]=[N+]=N[C@H](CO)COCc1ccccc1 Amb25164617 [0,0,1,0,0,1|1,0,1]=4 576 B15R2.2196 C(NCc1[n]oc[n]1)c2ccccc2 Amb25098031 [1,0,0,0,0,1|1,0,1]=4 577 B15R2.2196 C(NCc1ccccc1)C2CC=CC2 Amb18649677 [1,0,0,0,0,1|2,0,0]=4 578 B15R2.2196 C1CC(CCNc2ccccc2)C=C1 Amb25312051 [1,0,0,0,0,1|2,0,0]=4 579 B15R2.2196 C1OCCC1NCCc2ccccc2 Amb20667617 [1,0,0,0,0,1|1,0,1]=4 580 B15R2.2196 C1OCCC1NCCc2ccccc2 Amb22059244 [1,0,0,0,0,1|1,0,1]=4