0 B19R3.19255 c1ccc2oc(NCC3CCCCN3)nc2c1 Amb21859673 [0,0,0,0,0,0|3,1,0]=4 1 B19R3.19255 c1ccc2oc(NCC3CCCCN3)nc2c1 Amb22274206 [0,0,0,0,0,0|3,1,0]=4 2 B19R3.19255 c1ccc2oc(NCC3CCCNC3)nc2c1 Amb22274208 [0,0,0,0,0,0|3,1,0]=4 3 B19R3.19255 c1ccc2oc(SCC3CCCNC3)nc2c1 Amb21984755 [0,0,0,0,0,0|2,1,0]=3 4 B19R3.19255 c1ccc2oc(SCC3CCNCC3)nc2c1 Amb21984767 [0,0,0,0,0,0|2,1,0]=3 5 B19R3.19255 c1ccc2sc(NCC3CCCNC3)nc2c1 Amb10598638 [0,0,0,0,0,0|3,0,0]=3 6 B19R3.19255 c1ccc2sc(NCC3CCNCC3)nc2c1 Amb10598637 [0,0,0,0,0,0|3,0,0]=3 7 B19R3.19255 c1ccc2sc(OCC3CCCNC3)nc2c1 Amb10598634 [0,0,0,0,0,0|2,1,0]=3 8 B19R3.19255 c1ccc2sc(OCC3CCCNC3)nc2c1 Amb32414556 [0,0,0,0,0,0|2,1,0]=3 9 B19R3.19255 c1ccc2sc(OCC3CCNCC3)nc2c1 Amb22272165 [0,0,0,0,0,0|2,1,0]=3 10 B19R3.19255 c1ccc2sc(OCC3CCNCC3)nc2c1 Amb28470387 [0,0,0,0,0,0|2,1,0]=3 11 B19R3.19255 c1ccc2sc(SCC3CCCCN3)nc2c1 Amb22395627 [0,0,0,0,0,0|2,0,0]=2 12 B19R3.19255 c1ccc2sc(SCC3CCCNC3)nc2c1 Amb21984754 [0,0,0,0,0,0|2,0,0]=2 13 B19R3.19255 c1ccc2sc(SCC3CCCNC3)nc2c1 Amb22395606 [0,0,0,0,0,0|2,0,0]=2 14 B19R3.19255 c1ccc2sc(SCC3CCNCC3)nc2c1 Amb21984766 [0,0,0,0,0,0|2,0,0]=2 15 B19R3.19255 c1ccc2sc(SCC3CCNCC3)nc2c1 Amb22395590 [0,0,0,0,0,0|2,0,0]=2 16 B19R3.19255 c1ccc2sc(SNC3CCCCC3)nc2c1 Amb3989348 [0,0,0,0,0,0|0,0,0]=0 17 B19R3.19255 c1ccc2sc(SSN3CCOCC3)nc2c1 Amb22733252 [0,0,0,0,0,0|3,0,0]=3 18 B19R3.19255 c1ccn2cc(CNC3CCCCC3)nc2c1 Amb6706987 [0,0,0,0,0,0|3,0,0]=3 19 B19R3.19255 c1ccn2cc(CNC3CCOCC3)nc2c1 Amb9474144 [0,0,0,0,0,0|4,0,0]=4 20 B19R3.19255 c1cnc2nc(CCC3CCCCC3)oc2c1 Amb18621195 [0,0,0,0,0,0|3,1,0]=4 21 B19R3.19255 c1cnc2oc(CCC3CCCCC3)nc2c1 Amb18621299 [0,0,0,0,0,0|3,1,0]=4 22 B20R3.16119 O=C(Cc1nc2ccccc2o1)C3CCCCC3 Amb9205821 [0,1,0,0,0,0|2,1,0]=4 23 B20R3.16119 O=C(Cc1nc2ccccc2s1)C3CCCCC3 Amb9205886 [0,1,0,0,0,0|2,0,0]=3 24 B20R3.94169 Nc1ccc2nc(CCC3CCCCC3)oc2c1 Amb7770663 [0,1,0,0,0,0|2,1,0]=4 25 B20R3.94169 Nc1ccc2oc(CCC3CCCCC3)nc2c1 Amb6665059 [0,1,0,0,0,0|2,1,0]=4 26 B20R3.94169 Oc1ccc2nc(CCC3CCCCC3)oc2c1 Amb17479181 [0,1,0,0,0,0|2,1,0]=4 27 B20R3.94169 Oc1ccc2oc(CCC3CCCCC3)nc2c1 Amb17479268 [0,1,0,0,0,0|2,1,0]=4 28 B20R3.248100 Nc1cccc2oc(CCC3CCCCC3)nc12 Amb18627031 [0,1,0,0,0,0|2,1,0]=4 29 B20R3.331219 O=C(NC1CCCCC1)c2cc3ccccc3s2 Amb6193464 [0,1,0,0,0,0|2,0,0]=3 30 B18R3.12728 c1ccc2oc(CNC3CCCC3)cc2c1 Amb6719731 [0,0,0,0,1,0|2,1,0]=4 31 B18R3.12728 c1ccc2sc(CCC3CCCN3)nc2c1 Amb33359862 [0,0,0,0,1,0|3,0,0]=4 32 B18R3.12728 c1ccc2sc(CCC3CCNC3)nc2c1 Amb32648064 [0,0,0,0,1,0|3,0,0]=4 33 B18R3.12728 c1ccc2sc(NCC3CCCO3)nc2c1 Amb1103982 [0,0,0,0,1,0|3,0,0]=4 34 B18R3.12728 c1ccc2sc(SCC3CCCN3)nc2c1 Amb22272245 [0,0,0,0,1,0|2,0,0]=3 35 B18R3.12728 c1ccc2sc(SCC3CCCN3)nc2c1 Amb22395577 [0,0,0,0,1,0|2,0,0]=3 36 B18R3.12728 c1ccn2cc(CNC3CCCC3)nc2c1 Amb6707348 [0,0,0,0,1,0|3,0,0]=4 37 B18R3.12875 c1ccc2c(c1)CC(NC3CCCCC3)C2 Amb9373550 [0,0,0,0,1,0|2,0,1]=4 38 B18R3.12875 c1ccc2oc(SC3CCNCC3)nc2c1 Amb22395534 [0,0,0,0,1,0|1,1,0]=3 39 B18R3.12875 c1ccc2sc(CC3CCCNC3)cc2c1 Amb33429862 [0,0,0,0,1,0|3,0,0]=4 40 B18R3.12875 c1ccc2sc(CC3CCCNC3)nc2c1 Amb32648052 [0,0,0,0,1,0|2,0,0]=3 41 B18R3.12875 c1ccc2sc(CC3CCNCC3)cc2c1 Amb33313252 [0,0,0,0,1,0|3,0,0]=4 42 B18R3.12875 c1ccc2sc(CC3CCNCC3)nc2c1 Amb844565 [0,0,0,0,1,0|2,0,0]=3 43 B18R3.12875 c1ccc2sc(CN3CCNCC3)nc2c1 Amb43183 [0,0,0,0,1,0|3,0,0]=4 44 B18R3.12875 c1ccc2sc(CN3CCNCC3)nc2c1 Amb8202303 [0,0,0,0,1,0|3,0,0]=4 45 B18R3.12875 c1ccc2sc(NC3CCCCC3)nc2c1 Amb2372255 [0,0,0,0,1,0|0,0,0]=1 46 B18R3.12875 c1ccc2sc(NC3CCCNC3)nc2c1 Amb20616631 [0,0,0,0,1,0|1,0,0]=2 47 B18R3.12875 c1ccc2sc(NC3CCNCC3)nc2c1 Amb22272331 [0,0,0,0,1,0|1,0,0]=2 48 B18R3.12875 c1ccc2sc(NC3CCNCC3)nc2c1 Amb8858189 [0,0,0,0,1,0|1,0,0]=2 49 B18R3.12875 c1ccc2sc(OC3CCCNC3)cc2c1 Amb33312154 [0,0,0,0,1,0|2,1,0]=4 50 B18R3.12875 c1ccc2sc(OC3CCCNC3)nc2c1 Amb10598633 [0,0,0,0,1,0|1,1,0]=3 51 B18R3.12875 c1ccc2sc(OC3CCCNC3)nc2c1 Amb33450102 [0,0,0,0,1,0|1,1,0]=3 52 B18R3.12875 c1ccc2sc(OC3CCNCC3)cc2c1 Amb33312155 [0,0,0,0,1,0|2,1,0]=4 53 B18R3.12875 c1ccc2sc(OC3CCNCC3)nc2c1 Amb10598632 [0,0,0,0,1,0|1,1,0]=3 54 B18R3.12875 c1ccc2sc(OC3CCNCC3)nc2c1 Amb21936748 [0,0,0,0,1,0|1,1,0]=3 55 B18R3.12875 c1ccc2sc(OC3CCOCC3)nc2c1 Amb33616964 [0,0,0,0,1,0|1,1,0]=3 56 B18R3.12875 c1ccc2sc(SC3CCNCC3)nc2c1 Amb10808388 [0,0,0,0,1,0|1,0,0]=2 57 B18R3.12875 c1ccc2sc(SC3CCNCC3)nc2c1 Amb17066048 [0,0,0,0,1,0|1,0,0]=2 58 B18R3.12875 c1ccc2sc(SN3CCOCC3)nc2c1 Amb1148815 [0,0,0,0,1,0|2,0,0]=3 59 B20R3.30260 c1ccc2sc(SCCC3CCCCN3)nc2c1 Amb22395647 [0,0,0,0,0,1|2,0,0]=3 60 B20R3.30260 c1ccc2sc(SCCC3CCCCN3)nc2c1 Amb35745725 [0,0,0,0,0,1|2,0,0]=3 61 B20R3.30260 c1ccc2sc(SCCC3CCNCC3)nc2c1 Amb22395698 [0,0,0,0,0,1|2,0,0]=3 62 B20R3.30260 c1ccc2sc(SCCC3CCNCC3)nc2c1 Amb32662514 [0,0,0,0,0,1|2,0,0]=3 63 B17R2.2569 CCCCCCCc1cc2ccccc2s1 Amb34925775 [1,0,1,0,0,0|2,0,0]=4 64 B17R2.2569 CCCCCCNc1nc2ccccc2s1 Amb1103948 [1,0,1,0,0,0|0,0,0]=2 65 B17R2.2569 CCCNCCSc1nc2ccccc2o1 Amb20414347 [1,0,1,0,0,0|1,1,0]=4 66 B17R2.2569 CCCNCCSc1nc2ccccc2s1 Amb20573245 [1,0,1,0,0,0|1,0,0]=3 67 B17R2.2569 NCCCCCCc1nc2ccccc2s1 Amb6262994 [1,0,1,0,0,0|2,0,0]=4 68 B19R2.12592 CCC(C)CCCCNc1nc2ccccc2s1 Amb9702682 [0,1,1,0,0,0|2,0,0]=4 69 B19R3.10823 NC(Cc1nc2ccccc2s1)C3CCCC3 Amb9206023 [0,1,0,0,1,0|2,0,0]=4 70 B19R3.10823 O=C(Cc1nc2ccccc2s1)C3CCCC3 Amb9205884 [0,1,0,0,1,0|2,0,0]=4 71 B19R3.8304 Cc1cccc2sc(NC3CCCCC3)nc12 Amb18940138 [0,1,0,0,1,0|0,0,0]=2 72 B19R3.8304 Cc1cccc2sc(OC3CCNCC3)nc12 Amb21936750 [0,1,0,0,1,0|1,1,0]=4 73 B19R3.8304 Clc1cccc2sc(NC3CCCCC3)nc12 Amb18274105 [0,1,0,0,1,0|0,0,0]=2 74 B19R3.8304 Clc1cccc2sc(NC3CCNCC3)nc12 Amb17515778 [0,1,0,0,1,0|1,0,0]=3 75 B19R3.8304 Clc1cccc2sc(OC3CCNCC3)nc12 Amb21936747 [0,1,0,0,1,0|1,1,0]=4 76 B19R3.8304 Clc1cccc2sc(OC3CCNCC3)nc12 Amb30982596 [0,1,0,0,1,0|1,1,0]=4 77 B19R3.8304 Fc1cccc2sc(NC3CCCCC3)nc12 Amb18274735 [0,1,0,0,1,0|0,0,0]=2 78 B19R3.8304 Fc1cccc2sc(OC3CCNCC3)nc12 Amb21936884 [0,1,0,0,1,0|1,1,0]=4 79 B19R3.8304 Nc1cccc2oc(CC3CCCCC3)nc12 Amb18627049 [0,1,0,0,1,0|1,1,0]=4 80 B19R3.88146 Brc1ccc2nc(NC3CCCCC3)sc2c1 Amb18274852 [0,1,0,0,1,0|0,0,0]=2 81 B19R3.88146 Cc1ccc2nc(NC3CCCCC3)sc2c1 Amb18940152 [0,1,0,0,1,0|0,0,0]=2 82 B19R3.88146 Cc1ccc2nc(NC3CCNCC3)sc2c1 Amb17515770 [0,1,0,0,1,0|1,0,0]=3 83 B19R3.88146 Cc1ccc2nc(SC3CCNCC3)oc2c1 Amb31127437 [0,1,0,0,1,0|1,1,0]=4 84 B19R3.88146 Cc1ccc2oc(SC3CCNCC3)nc2c1 Amb31127421 [0,1,0,0,1,0|1,1,0]=4 85 B19R3.88146 Clc1ccc2nc(NC3CCCCC3)sc2c1 Amb18274912 [0,1,0,0,1,0|0,0,0]=2 86 B19R3.88146 Clc1ccc2oc(SC3CCNCC3)nc2c1 Amb31127438 [0,1,0,0,1,0|1,1,0]=4 87 B19R3.88146 Fc1ccc2nc(NC3CCCCC3)sc2c1 Amb18274571 [0,1,0,0,1,0|0,0,0]=2 88 B19R3.88146 Fc1ccc2nc(NC3CCNCC3)sc2c1 Amb17515780 [0,1,0,0,1,0|1,0,0]=3 89 B19R3.241821 NC1CCC(Sc2nc3ccccc3s2)CC1 Amb22395672 [0,1,0,0,1,0|0,0,0]=2 90 B19R3.241821 O[C@H]1CC[C@H](Nc2nc3ccccc3o2)CC1 Amb24059627 [0,1,0,0,1,0|0,1,0]=3 91 B19R3.241821 O[C@H]1CC[C@H](Nc2nc3ccccc3s2)CC1 Amb23673505 [0,1,0,0,1,0|0,0,0]=2 92 B19R3.1799922 CN(c1nc2ccccc2o1)C3CCCNC3 Amb22274205 [0,1,0,0,1,0|1,1,0]=4 93 B19R3.1799922 O=C(c1nc2ccccc2s1)N3CCCCC3 Amb1882583 [0,1,0,0,1,0|2,0,0]=4 94 B19R3.1799922 OC(c1cc2ccccc2s1)C3CCCCC3 Amb22263509 [0,1,0,0,1,0|2,0,0]=4 95 B21R3.24438 O=C(NC1CCCCC1)c2ccc3ccccc3n2 Amb1547831 [0,1,0,0,0,1|2,0,0]=4 96 B21R3.24438 O=C(NC1CCCCC1)c2cnc3ccccc3n2 Amb5751 [0,1,0,0,0,1|2,0,0]=4 97 B21R3.24408 O=C(CSc1nc2ccccc2s1)N3CCCCC3 Amb6874717 [0,1,0,0,0,1|2,0,0]=4 98 B21R3.13071 O=C(NC1CCCCC1)c2sc3ccccc3c2Cl Amb2458354 [0,2,0,0,0,0|2,0,0]=4 99 B21R3.154841 Nc1ccc2nc(NC(=O)C3CCCCC3)sc2c1 Amb6355570 [0,2,0,0,0,0|2,0,0]=4 100 B21R3.154841 Nc1ccc2sc(NC(=O)C3CCCCC3)nc2c1 Amb6800448 [0,2,0,0,0,0|2,0,0]=4 101 B21R3.23765488 O=S(=O)(NC1CCCCC1)c2nc3ccccc3s2 Amb20075882 [0,2,0,0,0,0|0,0,1]=3 102 B17R2.143 O=C(Nc1ccccc1)NC2CCCCC2 Amb1195899 [0,0,1,0,1,0|0,1,1]=4 103 B17R2.2342 O=C(CNC1CCCCC1)c2ccccc2 Amb17318154 [0,0,1,0,1,0|1,1,0]=4 104 B17R3.8685 C(=C1CCCC1)c2nc3ccccc3s2 Amb24101237 [0,0,0,0,2,0|1,0,1]=4 105 B17R3.8685 c1ccc2oc(NC3CCNC3)nc2c1 Amb22274209 [0,0,0,0,2,0|1,1,0]=4 106 B17R3.8685 c1ccc2sc(CC3CCCC3)nc2c1 Amb24101238 [0,0,0,0,2,0|1,0,0]=3 107 B17R3.8685 c1ccc2sc(CC3CCCN3)nc2c1 Amb33172417 [0,0,0,0,2,0|2,0,0]=4 108 B17R3.8685 c1ccc2sc(CC3CCNC3)nc2c1 Amb32700423 [0,0,0,0,2,0|2,0,0]=4 109 B17R3.8685 c1ccc2sc(NC3CCNC3)nc2c1 Amb17515674 [0,0,0,0,2,0|1,0,0]=3 110 B17R3.8685 c1ccc2sc(OC3CCNC3)nc2c1 Amb22642460 [0,0,0,0,2,0|1,1,0]=4 111 B17R3.8685 c1ccc2sc(OC3CCOC3)nc2c1 Amb33618564 [0,0,0,0,2,0|1,1,0]=4 112 B17R3.8685 c1ccc2sc(SC3CCNC3)nc2c1 Amb22376702 [0,0,0,0,2,0|1,0,0]=3 113 B17R3.8708 C1=C(c2nc3ccccc3s2)CCCC1 Amb24069952 [0,0,0,0,2,0|0,0,2]=4 114 B17R3.8708 c1ccc2oc(C3CCCCC3)nc2c1 Amb3355018 [0,0,0,0,2,0|0,1,0]=3 115 B17R3.8708 c1ccc2oc(C3CCCCN3)nc2c1 Amb1107689 [0,0,0,0,2,0|1,1,0]=4 116 B17R3.8708 c1ccc2oc(C3CCCNC3)nc2c1 Amb2570569 [0,0,0,0,2,0|1,1,0]=4 117 B17R3.8708 c1ccc2oc(C3CCCNC3)nc2c1 Amb8427997 [0,0,0,0,2,0|1,1,0]=4 118 B17R3.8708 c1ccc2oc(C3CCCNC3)nc2c1 Amb8503248 [0,0,0,0,2,0|1,1,0]=4 119 B17R3.8708 c1ccc2oc(C3CCNCC3)nc2c1 Amb1152665 [0,0,0,0,2,0|1,1,0]=4 120 B17R3.8708 c1ccc2oc(C3CCNCC3)nc2c1 Amb22491328 [0,0,0,0,2,0|1,1,0]=4 121 B17R3.8708 c1ccc2oc(N3CCCCC3)nc2c1 Amb2643934 [0,0,0,0,2,0|1,1,0]=4 122 B17R3.8708 c1ccc2sc(C3CCCCC3)nc2c1 Amb4063073 [0,0,0,0,2,0|0,0,0]=2 123 B17R3.8708 c1ccc2sc(C3CCCCN3)cc2c1 Amb3789296 [0,0,0,0,2,0|2,0,0]=4 124 B17R3.8708 c1ccc2sc(C3CCCCN3)nc2c1 Amb9703542 [0,0,0,0,2,0|1,0,0]=3 125 B17R3.8708 c1ccc2sc(C3CCCNC3)cc2c1 Amb18170394 [0,0,0,0,2,0|2,0,0]=4 126 B17R3.8708 c1ccc2sc(C3CCCNC3)nc2c1 Amb1106972 [0,0,0,0,2,0|1,0,0]=3 127 B17R3.8708 c1ccc2sc(C3CCCNC3)nc2c1 Amb6891760 [0,0,0,0,2,0|1,0,0]=3 128 B17R3.8708 c1ccc2sc(C3CCNCC3)cc2c1 Amb18169715 [0,0,0,0,2,0|2,0,0]=4 129 B17R3.8708 c1ccc2sc(C3CCNCC3)nc2c1 Amb1106971 [0,0,0,0,2,0|1,0,0]=3 130 B17R3.8708 c1ccc2sc(C3CNCCO3)nc2c1 Amb9004264 [0,0,0,0,2,0|2,0,0]=4 131 B17R3.8708 c1ccc2sc(C3COCCN3)nc2c1 Amb31289879 [0,0,0,0,2,0|2,0,0]=4 132 B17R3.8708 c1ccc2sc(C3COCCN3)nc2c1 Amb32651984 [0,0,0,0,2,0|2,0,0]=4 133 B17R3.8708 c1ccc2sc(N3CCCCC3)nc2c1 Amb932147 [0,0,0,0,2,0|1,0,0]=3 134 B17R3.8708 c1ccc2sc(N3CCNCC3)nc2c1 Amb1287460 [0,0,0,0,2,0|2,0,0]=4 135 B17R3.8708 c1ccc2sc(N3CCNCC3)nc2c1 Amb13951964 [0,0,0,0,2,0|2,0,0]=4 136 B17R3.8708 c1ccc2sc(N3CCNCC3)nc2c1 Amb7969516 [0,0,0,0,2,0|2,0,0]=4 137 B17R3.8708 c1ccc2sc(N3CCOCC3)nc2c1 Amb1145733 [0,0,0,0,2,0|2,0,0]=4 138 B17R3.8708 c1cnc2nc(C3CCCCC3)oc2c1 Amb18104233 [0,0,0,0,2,0|1,1,0]=4