0 B16R2.2832 Brc1nc(CCCc2ccccc2)co1 Amb33129301 [0,0,0,0,0,0|2,0,2]=4 1 B16R2.2832 CC1CCC(COCc2ccccc2)N1 Amb27812925 [0,0,0,0,0,0|2,0,2]=4 2 B16R2.2832 Cc1csc(COCc2ccccc2)n1 Amb27476360 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.2832 Ic1nc(CCCc2ccccc2)co1 Amb33129302 [0,0,0,0,0,0|2,0,2]=4 4 B16R2.2832 NC1CCC(COCc2ccccc2)C1 Amb27767204 [0,0,0,0,0,0|2,0,1]=3 5 B16R2.2832 N[C@H]1CC[C@@H](CNCc2ccccc2)C1 Amb33071898 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.2832 N[C@H]1CC[C@@H](COCc2ccccc2)C1 Amb28204069 [0,0,0,0,0,0|2,0,1]=3 7 B16R2.2832 Nc1ccn(CCCc2ccccc2)n1 Amb19018439 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.2832 Nc1ccn(COCc2ccccc2)n1 Amb18654274 [0,0,0,0,0,0|2,0,1]=3 9 B16R2.2832 Nc1cn(COCc2ccccc2)cn1 Amb33165638 [0,0,0,0,0,0|3,0,1]=4 10 B16R2.2832 Nc1cn(COCc2ccccc2)nn1 Amb33165906 [0,0,0,0,0,0|4,0,0]=4 11 B16R2.2832 Nc1cnn(CCCc2ccccc2)n1 Amb32702542 [0,0,0,0,0,0|4,0,0]=4 12 B16R2.2832 Nc1cnn(COCc2ccccc2)c1 Amb26047321 [0,0,0,0,0,0|4,0,0]=4 13 B16R2.2832 Nc1cnn(COCc2ccccc2)n1 Amb33165974 [0,0,0,0,0,0|3,0,0]=3 14 B16R2.2832 Nc1csc(COCc2ccccc2)n1 Amb27955721 [0,0,0,0,0,0|2,0,1]=3 15 B16R2.2832 Nc1nc(CCCc2ccccc2)co1 Amb33129276 [0,0,0,0,0,0|1,0,2]=3 16 B16R2.2832 Nc1nc(CCCc2ccccc2)cs1 Amb33129300 [0,0,0,0,0,0|1,1,2]=4 17 B16R2.2832 Nc1nc(CNCc2ccccc2)cs1 Amb18866843 [0,0,0,0,0,0|1,1,2]=4 18 B16R2.2832 Nc1nc(COCc2ccccc2)no1 Amb27666114 [0,0,0,0,0,0|1,0,1]=2 19 B16R2.2832 Nc1nc(COCc2ccccc2)ns1 Amb27862699 [0,0,0,0,0,0|1,1,1]=3 20 B16R2.2832 Nc1ncn(CCCc2ccccc2)n1 Amb19015585 [0,0,0,0,0,0|3,0,1]=4 21 B16R2.2832 Nc1ncn(COCc2ccccc2)n1 Amb25848339 [0,0,0,0,0,0|2,0,1]=3 22 B16R2.2832 Nc1nnc(COCc2ccccc2)s1 Amb27951327 [0,0,0,0,0,0|3,0,1]=4 23 B16R2.2832 O=C1CCC(CNCc2ccccc2)N1 Amb10607307 [0,0,0,0,0,0|3,0,1]=4 24 B16R2.2832 O=C1CC[C@@H](CNCc2ccccc2)N1 Amb22586685 [0,0,0,0,0,0|3,0,1]=4 25 B16R2.2832 O=C1CC[C@H](CNCc2ccccc2)N1 Amb27201411 [0,0,0,0,0,0|3,0,1]=4 26 B16R2.2832 O=C1CC[C@H](COCc2ccccc2)N1 Amb27599959 [0,0,0,0,0,0|2,0,1]=3 27 B16R2.2832 O=C1CSC(COCc2ccccc2)=N1 Amb27428857 [0,0,0,0,0,0|3,0,1]=4 28 B16R2.2832 O=C1NC(CCOc2ccccc2)CO1 Amb33080548 [0,0,0,0,0,0|3,0,1]=4 29 B16R2.2832 O=C1NC(COCc2ccccc2)=NO1 Amb28146522 [0,0,0,0,0,0|2,0,2]=4 30 B16R2.2832 O=C1NC(COCc2ccccc2)CO1 Amb27646362 [0,0,0,0,0,0|1,0,1]=2 31 B16R2.2832 O=C1NCC(COCc2ccccc2)O1 Amb534370 [0,0,0,0,0,0|3,0,0]=3 32 B16R2.2832 O=C1NC[C@@H](COCc2ccccc2)O1 Amb28068763 [0,0,0,0,0,0|3,0,0]=3 33 B16R2.2832 O=C1OCC(COCc2ccccc2)O1 Amb10071643 [0,0,0,0,0,0|2,0,0]=2 34 B16R2.2832 Oc1csc(COCc2ccccc2)n1 Amb27862702 [0,0,0,0,0,0|3,0,1]=4 35 B16R2.2832 Sc1nc(CCCc2ccccc2)co1 Amb33129312 [0,0,0,0,0,0|2,0,2]=4 36 B15R2.2196 C1=CC(CNCc2ccccc2)CC1 Amb27425634 [1,0,0,0,0,0|3,0,0]=4 37 B15R2.2196 C1=CCC(COCc2ccccc2)C1 Amb27249539 [1,0,0,0,0,0|2,0,0]=3 38 B15R2.2196 c1ccc(CNCC2CCOC2)cc1 Amb32410100 [1,0,0,0,0,0|2,0,1]=4 39 B15R2.2196 c1ccc(CNCC2COCO2)cc1 Amb27962885 [1,0,0,0,0,0|2,0,1]=4 40 B15R2.2196 c1ccc(COCC2CCCN2)cc1 Amb2235511 [1,0,0,0,0,0|1,0,2]=4 41 B15R2.2196 c1ccc(COCC2CCNC2)cc1 Amb19021967 [1,0,0,0,0,0|2,0,1]=4 42 B15R2.2196 c1ccc(COC[C@@H]2CCCN2)cc1 Amb17061752 [1,0,0,0,0,0|1,0,2]=4 43 B15R2.2196 c1ccc(COC[C@H]2CCCN2)cc1 Amb27746859 [1,0,0,0,0,0|1,0,2]=4 44 B17R2.2523 CNc1nc(COCc2ccccc2)ns1 Amb27874356 [0,1,0,0,0,0|1,1,1]=4 45 B17R2.2523 NCc1nc(CCCc2ccccc2)no1 Amb32454375 [0,1,0,0,0,0|2,0,1]=4 46 B17R2.2523 NCc1nc(COCc2ccccc2)no1 Amb25856419 [0,1,0,0,0,0|1,0,1]=3 47 B17R2.2523 NNc1nc(COCc2ccccc2)cs1 Amb27253710 [0,1,0,0,0,0|0,1,2]=4 48 B17R2.2523 O=Cc1nc(COCc2ccccc2)no1 Amb27246128 [0,1,0,0,0,0|2,0,1]=4 49 B17R2.3316 Cc1cn(COCc2ccccc2)nc1N Amb27228172 [0,1,0,0,0,0|2,0,1]=4 50 B17R2.3316 N[C@@H]1CC(COCc2ccccc2)C[C@H]1N Amb28046428 [0,1,0,0,0,0|2,0,1]=4 51 B17R2.3316 Nc1nn(COCc2ccccc2)cc1Br Amb26928168 [0,1,0,0,0,0|2,0,1]=4 52 B17R2.3316 Nc1nn(COCc2ccccc2)cc1Cl Amb27954747 [0,1,0,0,0,0|2,0,1]=4 53 B17R2.3348 Cc1cc(N)nn1COCc2ccccc2 Amb27880211 [0,1,0,0,0,0|2,0,1]=4 54 B17R2.3348 Nc1nc(Br)n(COCc2ccccc2)n1 Amb25168551 [0,1,0,0,0,0|2,0,1]=4 55 B17R2.3348 O=C1N[C@@H](COCc2ccccc2)C(=O)O1 Amb33624880 [0,1,0,0,0,0|1,0,2]=4 56 B17R2.20821 CC1(C)OCC(COCc2ccccc2)O1 Amb17609083 [0,1,0,0,0,0|2,0,1]=4 57 B17R2.20821 CC1(C)OC[C@@H](COCc2ccccc2)O1 Amb25269973 [0,1,0,0,0,0|2,0,1]=4 58 B17R2.20821 CC1(C)OC[C@H](COCc2ccccc2)O1 Amb16233060 [0,1,0,0,0,0|2,0,1]=4 59 B17R2.78887 CC1(COCc2ccccc2)CCC(=O)O1 Amb33036202 [0,1,0,0,0,0|3,0,0]=4 60 B15R1.157 CCOCC(N)COCc1ccccc1 Amb27637760 [0,0,1,0,0,0|1,0,2]=4 61 B15R1.157 CCOCC(O)COCc1ccccc1 Amb28074939 [0,0,1,0,0,0|2,0,1]=4 62 B15R1.157 FC(COCCl)COCc1ccccc1 Amb27825535 [0,0,1,0,0,0|2,0,1]=4 63 B15R1.504 CC(=O)OCCCNCc1ccccc1 Amb18266489 [0,0,1,0,0,0|3,0,0]=4 64 B15R1.504 N=C(N)NCCCOCc1ccccc1 Amb27825528 [0,0,1,0,0,0|1,0,0]=2 65 B15R1.504 NC(=S)COCCOCc1ccccc1 Amb27751946 [0,0,1,0,0,0|3,0,0]=4 66 B15R1.504 O=C(Cl)CCCCOCc1ccccc1 Amb27825545 [0,0,1,0,0,0|3,0,0]=4 67 B15R1.504 O=C(O)CCCCOCc1ccccc1 Amb7782921 [0,0,1,0,0,0|3,0,0]=4 68 B15R1.962 CNC(=N)NCCOCc1ccccc1 Amb27200914 [0,0,1,0,0,0|1,0,2]=4 69 B15R1.962 CNC(=O)NCCOCc1ccccc1 Amb27435823 [0,0,1,0,0,0|2,0,1]=4 70 B15R1.962 COC(=O)CCCNCc1ccccc1 Amb33549509 [0,0,1,0,0,0|3,0,0]=4 71 B15R1.962 COC(=O)CCCNCc1ccccc1 Amb8951848 [0,0,1,0,0,0|3,0,0]=4 72 B15R1.962 COC(=O)CCCOCc1ccccc1 Amb8961276 [0,0,1,0,0,0|2,0,0]=3 73 B15R1.962 COC(=O)CCNOCc1ccccc1 Amb28118387 [0,0,1,0,0,0|3,0,0]=4 74 B15R1.962 COC(=O)\C=C\COCc1ccccc1 Amb2697688 [0,0,1,0,0,0|2,0,1]=4 75 B15R1.962 N\N=C(\N)SCCOCc1ccccc1 Amb28323810 [0,0,1,0,0,0|3,0,0]=4 76 B15R1.1306 C=CCC(CBr)COCc1ccccc1 Amb26432990 [0,0,1,0,0,0|3,0,0]=4 77 B15R1.1306 C=CCC(CCl)COCc1ccccc1 Amb25988326 [0,0,1,0,0,0|3,0,0]=4 78 B15R1.1306 C=CCC(CO)CNCc1ccccc1 Amb27854462 [0,0,1,0,0,0|3,0,0]=4 79 B15R1.1306 [N-]=[N+]=N[C@@H](CO)COCc1ccccc1 Amb27597063 [0,0,1,0,0,0|1,0,1]=3 80 B15R1.9084 CC(=O)CC(C)COCc1ccccc1 Amb35781833 [0,0,1,0,0,0|2,0,1]=4 81 B15R1.9084 CC(C=C(Br)Br)COCc1ccccc1 Amb25776944 [0,0,1,0,0,0|3,0,0]=4 82 B15R1.9084 CC(CNCc1ccccc1)CC(=O)O Amb27852616 [0,0,1,0,0,0|3,0,0]=4 83 B15R1.9084 CC(COCc1ccccc1)CC(=N)N Amb28204126 [0,0,1,0,0,0|2,0,0]=3 84 B15R1.9084 CC(COCc1ccccc1)CC(=O)O Amb4476984 [0,0,1,0,0,0|2,0,0]=3 85 B15R1.9084 CC(COCc1ccccc1)NC(N)=S Amb27483415 [0,0,1,0,0,0|0,1,1]=3 86 B15R1.9084 C[C@@H](CC(=O)O)NOCc1ccccc1 Amb27401137 [0,0,1,0,0,0|3,0,0]=4 87 B15R1.9084 C[C@@H](COCc1ccccc1)CC(=N)N Amb27960369 [0,0,1,0,0,0|2,0,0]=3 88 B15R1.9084 C[C@H](COCc1ccccc1)CC(=N)N Amb27174327 [0,0,1,0,0,0|2,0,0]=3 89 B15R1.9084 NC(COCc1ccccc1)CC(=O)O Amb2697627 [0,0,1,0,0,0|3,0,0]=4 90 B15R1.9084 N[C@@H](COCc1ccccc1)CC(=O)O Amb33330243 [0,0,1,0,0,0|3,0,0]=4 91 B15R1.9084 N[C@@H](COCc1ccccc1)CC(=O)O Amb33457777 [0,0,1,0,0,0|3,0,0]=4 92 B15R1.9084 N[C@H](COCc1ccccc1)CC(=O)O Amb27153690 [0,0,1,0,0,0|3,0,0]=4 93 B15R1.9084 N[C@H](COCc1ccccc1)CC(=O)O Amb33330157 [0,0,1,0,0,0|3,0,0]=4 94 B15R1.9084 O=C(O)CC(O)COCc1ccccc1 Amb27488040 [0,0,1,0,0,0|3,0,0]=4 95 B17R3.26 O=C1NC(C2CCc3ccccc32)CO1 Amb33144600 [0,0,0,1,0,0|2,0,1]=4 96 B17R3.3273 O=C1CC[C@@H]2CO[C@@H](c3ccccc3)N12 Amb17934272 [0,0,0,1,0,0|2,0,1]=4 97 B17R3.3273 O=C1CC[C@@H]2CO[C@H](c3ccccc3)N12 Amb23399669 [0,0,0,1,0,0|2,0,1]=4 98 B17R3.3273 O=C1CC[C@H]2CO[C@H](c3ccccc3)N12 Amb8471224 [0,0,0,1,0,0|2,0,1]=4 99 B15R2.283 NC1=NC(CSc2ccccc2)CO1 Amb27784910 [0,0,0,0,1,0|0,1,0]=2 100 B15R2.283 NC1=NCC(CCc2ccccc2)O1 Amb27746954 [0,0,0,0,1,0|2,0,0]=3 101 B15R2.283 NC1=NCC(CSc2ccccc2)O1 Amb17595588 [0,0,0,0,1,0|2,1,0]=4 102 B15R2.283 NC1=N[C@@H](CCc2ccccc2)CO1 Amb27969242 [0,0,0,0,1,0|0,0,0]=1 103 B15R2.283 NC1=N[C@H](CCc2ccccc2)CO1 Amb27879567 [0,0,0,0,1,0|0,0,0]=1 104 B15R2.283 NC1=N[C@H](CCc2ccccn2)CS1 Amb27950924 [0,0,0,0,1,0|1,1,0]=3 105 B15R2.283 NC1=N[C@H](CCc2cccnc2)CS1 Amb27868556 [0,0,0,0,1,0|1,1,0]=3 106 B15R2.283 NC1=N[C@H](COc2ccccc2)CO1 Amb27464440 [0,0,0,0,1,0|0,0,0]=1 107 B15R2.283 N[C@@H]1CC[C@H](OCc2ccccc2)C1 Amb27645298 [0,0,0,0,1,0|2,0,1]=4 108 B15R2.283 N[C@H]1CC[C@@H](OCc2ccccc2)C1 Amb33716086 [0,0,0,0,1,0|2,0,1]=4 109 B15R2.283 N[C@H]1CC[C@H](OCc2ccccc2)C1 Amb28321591 [0,0,0,0,1,0|2,0,1]=4 110 B15R2.283 Nc1c[n+](CCc2ccccc2)no1 Amb19650266 [0,0,0,0,1,0|3,0,0]=4 111 B15R2.283 Nc1cc(CCc2ccccc2)no1 Amb33529147 [0,0,0,0,1,0|2,0,1]=4 112 B15R2.283 Nc1cc(COc2ccccc2)no1 Amb17234868 [0,0,0,0,1,0|2,0,1]=4 113 B15R2.283 Nc1ccn(CCc2ccccc2)n1 Amb7173304 [0,0,0,0,1,0|2,0,1]=4 114 B15R2.283 Nc1cnn(CCc2ccccc2)n1 Amb32702378 [0,0,0,0,1,0|3,0,0]=4 115 B15R2.283 Nc1csc(CCc2ccccc2)n1 Amb28341882 [0,0,0,0,1,0|2,0,1]=4 116 B15R2.283 Nc1nc(CCc2ccccc2)cs1 Amb17238165 [0,0,0,0,1,0|0,1,2]=4 117 B15R2.283 Nc1nc(CCc2ccccc2)ns1 Amb18292122 [0,0,0,0,1,0|1,1,1]=4 118 B15R2.283 Nc1nc(CCc2ccccn2)no1 Amb35722902 [0,0,0,0,1,0|2,0,1]=4 119 B15R2.283 Nc1nc(COc2ccccc2)cs1 Amb32671106 [0,0,0,0,1,0|0,1,2]=4 120 B15R2.283 Nc1nc(COc2ccccc2)cs1 Amb33526374 [0,0,0,0,1,0|0,1,2]=4 121 B15R2.283 Nc1nc(COc2ccccc2)no1 Amb18995138 [0,0,0,0,1,0|1,0,1]=3 122 B15R2.283 Nc1nc(COc2ccccc2)ns1 Amb18300287 [0,0,0,0,1,0|1,1,1]=4 123 B15R2.283 Nc1nc(NCc2ccccc2)no1 Amb27968590 [0,0,0,0,1,0|2,0,1]=4 124 B15R2.283 Nc1nc(OCc2ccccc2)ns1 Amb27827438 [0,0,0,0,1,0|1,1,1]=4 125 B15R2.283 Nc1ncn(CCc2ccccc2)n1 Amb19747703 [0,0,0,0,1,0|2,0,1]=4 126 B15R2.283 Nc1nsc(OCc2ccccc2)n1 Amb27428940 [0,0,0,0,1,0|2,0,1]=4 127 B15R2.283 O=C1CC(CCc2ccccc2)CN1 Amb26954493 [0,0,0,0,1,0|3,0,0]=4 128 B15R2.283 O=C1CCC(CCc2ccccc2)C1 Amb28124539 [0,0,0,0,1,0|3,0,0]=4 129 B15R2.283 O=C1CCC(CCc2ccccc2)N1 Amb27596663 [0,0,0,0,1,0|2,0,1]=4 130 B15R2.283 O=C1CCC(OCc2ccccc2)C1 Amb27465409 [0,0,0,0,1,0|3,0,0]=4 131 B15R2.283 O=C1CC[C@@H](COc2ccccc2)N1 Amb27960874 [0,0,0,0,1,0|2,0,1]=4 132 B15R2.283 O=C1NC(CCc2ccccc2)CO1 Amb25217512 [0,0,0,0,1,0|1,0,1]=3 133 B15R2.283 O=C1NCC(CCc2ccccc2)O1 Amb27662552 [0,0,0,0,1,0|3,0,0]=4 134 B15R2.283 O=C1NCC(COc2ccccc2)O1 Amb25861694 [0,0,0,0,1,0|3,0,0]=4 135 B15R2.283 O=C1OCC(CNc2ccccc2)O1 Amb28137905 [0,0,0,0,1,0|3,0,0]=4 136 B15R2.283 O=S1OCC(COc2ccccc2)O1 Amb3483030 [0,0,0,0,1,0|3,0,0]=4 137 B15R2.283 S=C1NC(CCc2ccccc2)CO1 Amb28241411 [0,0,0,0,1,0|1,0,1]=3 138 B15R2.283 S=C1NCC(CCc2ccccc2)O1 Amb28046293 [0,0,0,0,1,0|3,0,0]=4 139 B15R2.283 Sc1nc(CCc2ccccc2)no1 Amb27419282 [0,0,0,0,1,0|2,0,1]=4 140 B15R2.283 Sc1nc(COc2ccccc2)no1 Amb27419283 [0,0,0,0,1,0|2,0,1]=4 141 B15R2.342 N[C@H]1C=C[C@H]1COCc2ccccc2 Amb27440467 [0,0,0,0,1,0|1,0,2]=4 142 B15R2.342 O=C1CCC1COCc2ccccc2 Amb25316137 [0,0,0,0,1,0|2,0,0]=3 143 B15R2.617 C=C1CC(COCc2ccccc2)C1 Amb27407558 [0,0,0,0,1,0|2,0,0]=3 144 B15R2.617 NC1CC(COCc2ccccc2)C1 Amb28397503 [0,0,0,0,1,0|1,0,1]=3 145 B15R2.617 NC1CC(COCc2ccccc2)C1 Amb31156551 [0,0,0,0,1,0|1,0,1]=3 146 B15R2.617 NC1CC(NOCc2ccccc2)C1 Amb28341628 [0,0,0,0,1,0|2,0,1]=4 147 B15R2.617 O=C1CC(COCc2ccccc2)C1 Amb10873134 [0,0,0,0,1,0|2,0,0]=3 148 B15R2.617 O=C1CC(COCc2ccccc2)O1 Amb27962753 [0,0,0,0,1,0|2,0,0]=3 149 B15R2.617 OC1CC(COCc2ccccc2)C1 Amb10601456 [0,0,0,0,1,0|2,0,1]=4 150 B15R2.617 O[C@H]1C[C@@H](COCc2ccccc2)C1 Amb6296010 [0,0,0,0,1,0|2,0,1]=4 151 B15R2.617 O[C@H]1C[C@H](COCc2ccccc2)C1 Amb6296011 [0,0,0,0,1,0|2,0,1]=4 152 B17R2.216 Nc1cnc(COCc2ccccc2)cn1 Amb27619126 [0,0,0,0,0,1|1,0,2]=4 153 B17R2.216 O=C1CCC(COCc2ccccc2)OC1 Amb28132874 [0,0,0,0,0,1|3,0,0]=4 154 B17R2.3230 Cc1nc(CNOCc2ccccc2)no1 Amb27760298 [0,0,0,0,0,1|2,0,1]=4 155 B17R2.3230 Nc1ccn(CCOCc2ccccc2)n1 Amb25859539 [0,0,0,0,0,1|2,0,1]=4 156 B17R2.3230 Nc1cnn(CCOCc2ccccc2)n1 Amb33165933 [0,0,0,0,0,1|3,0,0]=4 157 B17R2.3230 Nc1nc(CCOCc2ccccc2)no1 Amb28245059 [0,0,0,0,0,1|1,0,1]=3 158 B17R2.3230 Nc1ncn(CCOCc2ccccc2)n1 Amb26657257 [0,0,0,0,0,1|2,0,1]=4 159 B17R2.3230 O=C1CC(CCOCc2ccccc2)CN1 Amb27403544 [0,0,0,0,0,1|3,0,0]=4 160 B17R2.3230 O=C1CCC(CNOCc2ccccc2)N1 Amb28396455 [0,0,0,0,0,1|2,0,1]=4 161 B17R2.5301 Nc1ncnc(COCc2ccccc2)n1 Amb28072219 [0,0,0,0,0,1|1,0,2]=4 162 B17R2.5301 O=C1CNCC(COCc2ccccc2)O1 Amb27977992 [0,0,0,0,0,1|3,0,0]=4 163 B17R2.5301 O=C1COCC(COCc2ccccc2)N1 Amb27972850 [0,0,0,0,0,1|1,0,1]=3 164 B17R2.5301 O=C1COC[C@H](COCc2ccccc2)N1 Amb27255359 [0,0,0,0,0,1|1,0,1]=3 165 B14R1.123 C=CCCCCOCc1ccccc1 Amb24546989 [1,0,1,0,0,0|2,0,0]=4 166 B14R1.123 CONCCCOCc1ccccc1 Amb28123887 [1,0,1,0,0,0|2,0,0]=4 167 B14R1.123 NNCCCCOCc1ccccc1 Amb27246241 [1,0,1,0,0,0|2,0,0]=4 168 B14R1.123 O=CCCCCOCc1ccccc1 Amb27814086 [1,0,1,0,0,0|2,0,0]=4 169 B14R1.520 C=CCC(O)COCc1ccccc1 Amb28190615 [1,0,1,0,0,0|2,0,0]=4 170 B14R1.520 C=CC[C@@H](N)COCc1ccccc1 Amb28368298 [1,0,1,0,0,0|1,0,1]=4 171 B14R1.520 C=CC[C@H](N)COCc1ccccc1 Amb27407003 [1,0,1,0,0,0|1,0,1]=4 172 B14R1.520 CC(CCO)COCc1ccccc1 Amb28188931 [1,0,1,0,0,0|1,0,1]=4 173 B14R1.520 CC(COCc1ccccc1)N=C=S Amb28193848 [1,0,1,0,0,0|0,1,1]=4 174 B14R1.520 CC(COCc1ccccc1)N=[N+]=[N-] Amb27444711 [1,0,1,0,0,0|1,0,1]=4 175 B14R1.520 CC(COCc1ccccc1)NC=O Amb27231880 [1,0,1,0,0,0|0,0,2]=4 176 B14R1.520 COCC(N)COCc1ccccc1 Amb28071645 [1,0,1,0,0,0|0,0,2]=4 177 B14R1.520 COC[C@@H](O)COCc1ccccc1 Amb27977834 [1,0,1,0,0,0|1,0,1]=4 178 B14R1.520 C[C@@H](CC=O)COCc1ccccc1 Amb27588011 [1,0,1,0,0,0|1,0,1]=4 179 B14R1.520 C[C@@H](\C=C\I)COCc1ccccc1 Amb26994792 [1,0,1,0,0,0|2,0,0]=4 180 B14R1.520 C\C=C\[C@@H](O)COCc1ccccc1 Amb27977832 [1,0,1,0,0,0|2,0,0]=4 181 B14R1.520 C\C=C\[C@H](O)COCc1ccccc1 Amb28079114 [1,0,1,0,0,0|2,0,0]=4 182 B14R1.520 NCCC(O)COCc1ccccc1 Amb24378045 [1,0,1,0,0,0|1,0,1]=4 183 B14R1.520 NCCC(O)COCc1ccccc1 Amb32752756 [1,0,1,0,0,0|1,0,1]=4 184 B14R1.520 NCC[C@@H](O)COCc1ccccc1 Amb32670886 [1,0,1,0,0,0|1,0,1]=4 185 B14R1.520 NCC[C@@H](O)COCc1ccccc1 Amb32670892 [1,0,1,0,0,0|1,0,1]=4 186 B14R1.520 NCC[C@H](O)COCc1ccccc1 Amb32670890 [1,0,1,0,0,0|1,0,1]=4 187 B14R1.520 NCC[C@H](O)COCc1ccccc1 Amb32670891 [1,0,1,0,0,0|1,0,1]=4 188 B14R1.422 CC(=N)NCCOCc1ccccc1 Amb27428538 [1,0,1,0,0,0|0,0,2]=4 189 B14R1.422 CC(C)=CCCOCc1ccccc1 Amb27620812 [1,0,1,0,0,0|2,0,0]=4 190 B14R1.422 N=C(N)NCCOCc1ccccc1 Amb28255031 [1,0,1,0,0,0|1,0,1]=4 191 B14R1.422 NC(=O)CCCOCc1ccccc1 Amb25073445 [1,0,1,0,0,0|1,0,1]=4 192 B14R1.422 NC(N)=NCCNCc1ccccc1 Amb26938735 [1,0,1,0,0,0|2,0,0]=4 193 B14R1.422 O=C(O)CCCOCc1ccccc1 Amb3939004 [1,0,1,0,0,0|2,0,0]=4 194 B14R1.546 C=C=C(CO)COCc1ccccc1 Amb27197126 [1,0,1,0,0,0|1,0,1]=4 195 B14R1.546 C=CC(CO)COCc1ccccc1 Amb28409925 [1,0,1,0,0,0|1,0,0]=3 196 B14R1.546 CCC(CO)COCc1ccccc1 Amb27812292 [1,0,1,0,0,0|1,0,1]=4 197 B14R1.546 CC[C@@H](C=O)COCc1ccccc1 Amb28240468 [1,0,1,0,0,0|2,0,0]=4 198 B14R1.546 COC(CO)COCc1ccccc1 Amb27411561 [1,0,1,0,0,0|1,0,1]=4 199 B14R1.546 CO[C@@H](CO)COCc1ccccc1 Amb27946931 [1,0,1,0,0,0|1,0,1]=4 200 B14R1.546 OCC(CCl)COCc1ccccc1 Amb27849770 [1,0,1,0,0,0|1,0,1]=4 201 B14R1.546 OCC(CO)COCc1ccccc1 Amb23439619 [1,0,1,0,0,0|1,0,1]=4 202 B16R1.1694 C=CCOCC(O)COCc1ccccc1 Amb22056052 [0,1,1,0,0,0|2,0,0]=4 203 B16R1.1694 NCCOCC(O)COCc1ccccc1 Amb27224649 [0,1,1,0,0,0|1,0,1]=4 204 B16R1.18213 CC(CNC(N)=S)COCc1ccccc1 Amb27860653 [0,1,1,0,0,0|2,0,0]=4 205 B16R1.610 CN(CCCCC(=N)N)Cc1ccccc1 Amb27588703 [0,1,1,0,0,0|2,0,0]=4 206 B16R1.610 CN(CCCNC(=N)N)Cc1ccccc1 Amb11198584 [0,1,1,0,0,0|2,0,0]=4 207 B16R1.1166 NNC(=O)CCCCOCc1ccccc1 Amb25225386 [0,1,1,0,0,0|2,0,0]=4 208 B16R1.1166 NNC(=O)NCCCOCc1ccccc1 Amb27452621 [0,1,1,0,0,0|2,0,0]=4 209 B16R1.4131 CN(CCCOCc1ccccc1)C(N)=O Amb24244469 [0,1,1,0,0,0|2,0,0]=4 210 B16R1.4131 CN(CCCOCc1ccccc1)C(N)=S Amb27964740 [0,1,1,0,0,0|2,0,0]=4 211 B16R1.4131 NC(=O)C(N)CCCOCc1ccccc1 Amb26385333 [0,1,1,0,0,0|2,0,0]=4 212 B16R1.6929 CC(CCOCc1ccccc1)NC(N)=S Amb27245223 [0,1,1,0,0,0|2,0,0]=4 213 B16R1.6929 CN(CCOCc1ccccc1)CC(=N)N Amb27434694 [0,1,1,0,0,0|2,0,0]=4 214 B16R1.932 CCOC(=O)CCCOCc1ccccc1 Amb25769415 [0,1,1,0,0,0|2,0,0]=4 215 B16R1.932 COCC(=O)CCCOCc1ccccc1 Amb27973481 [0,1,1,0,0,0|2,0,0]=4 216 B16R1.1635 COC(=O)C(N)CCOCc1ccccc1 Amb27486015 [0,1,1,0,0,0|2,0,0]=4 217 B16R1.18143 CC(N)(COCc1ccccc1)CC(=O)O Amb33254218 [0,1,1,0,0,0|2,0,0]=4 218 B16R1.18143 CC(N)(COCc1ccccc1)CC(N)=O Amb33254761 [0,1,1,0,0,0|1,0,1]=4 219 B16R1.18143 CC(O)(COCc1ccccc1)CC(=O)O Amb33036166 [0,1,1,0,0,0|2,0,0]=4 220 B16R2.3250 N[C@H]1CC=C[C@@H]1COCc2ccccc2 Amb27622212 [1,1,0,0,0,0|2,0,0]=4 221 B16R2.3250 OC1CC=CC1COCc2ccccc2 Amb27774318 [1,1,0,0,0,0|2,0,0]=4 222 B16R2.3250 O[C@@H]1CC=C[C@@H]1COCc2ccccc2 Amb25278324 [1,1,0,0,0,0|2,0,0]=4 223 B16R2.3250 O[C@@H]1CC=C[C@H]1COCc2ccccc2 Amb22744765 [1,1,0,0,0,0|2,0,0]=4 224 B16R2.3250 O[C@H]1CC=C[C@@H]1COCc2ccccc2 Amb22274655 [1,1,0,0,0,0|2,0,0]=4 225 B16R2.3250 O[C@H]1CC=C[C@H]1COCc2ccccc2 Amb34152726 [1,1,0,0,0,0|2,0,0]=4 226 B16R2.137 O=C1NC(CCc2ccc(Br)cc2)CO1 Amb33334086 [0,1,0,0,1,0|1,0,1]=4 227 B16R2.137 O=C1NC(CCc2ccc(F)cc2)CO1 Amb33319343 [0,1,0,0,1,0|1,0,1]=4 228 B16R2.258 O=C1NC(CCc2cccc(Br)c2)CO1 Amb33433767 [0,1,0,0,1,0|1,0,1]=4 229 B16R2.2334 NCc1nc(CCc2ccccc2)no1 Amb19015873 [0,1,0,0,1,0|1,0,1]=4 230 B16R2.2334 NCc1nc(COc2ccccc2)no1 Amb10789058 [0,1,0,0,1,0|1,0,1]=4 231 B16R2.2334 NCc1nc(COc2ccccc2)no1 Amb15740915 [0,1,0,0,1,0|1,0,1]=4 232 B18R2.2741 NCc1nc(CCOCc2ccccc2)no1 Amb27785782 [0,1,0,0,0,1|1,0,1]=4 233 B18R2.3723 O=C(C[C@H]1COC(=O)N1)OCc2ccccc2 Amb24380694 [0,1,0,0,0,1|1,0,1]=4 234 B18R2.5600 CCNc1nc(COCc2ccccc2)no1 Amb28458630 [0,2,0,0,0,0|1,0,1]=4 235 B16R2.252 O=C1CCCC(OCc2ccccc2)N1 Amb27411901 [0,0,1,1,0,0|2,0,0]=4 236 B16R2.464 N=C(N)C1CCCN1Cc2ccccc2 Amb22802120 [0,0,1,1,0,0|2,0,0]=4 237 B16R2.3338 O=C1CC(CCOCc2ccccc2)N1 Amb27873499 [0,0,1,1,0,0|2,0,0]=4 238 B16R3.335 O=C1C[C@@H]2CCc3ccccc3[C@H]2O1 Amb28463677 [0,0,0,1,1,0|2,0,0]=4 239 B16R3.335 [C@@H]12CCc3ccccc3[C@@H]1OC(=O)C2 Amb17778862 [0,0,0,1,1,0|2,0,0]=4 240 B16R3.2022 Nc1nc(C2Cc3ccccc32)no1 Amb27417622 [0,0,0,1,1,0|1,0,1]=4 241 B16R3.10764 O=C1NC2(CCc3ccccc32)CO1 Amb27391879 [0,0,0,1,1,0|1,0,1]=4 242 B16R3.27490 O=C1CC2(COCc3ccccc32)N1 Amb27855071 [0,0,0,1,1,0|1,0,1]=4 243 B14R1.716 CCC(N)CCOCc1ccccc1 Amb28423127 [0,0,1,0,1,0|1,0,1]=4 244 B14R1.716 CNC(=O)CCOCc1ccccc1 Amb26361930 [0,0,1,0,1,0|2,0,0]=4 245 B14R1.716 COC(=N)CCOCc1ccccc1 Amb27444424 [0,0,1,0,1,0|0,0,1]=3 246 B14R1.716 COC(=O)CCCCc1ccccc1 Amb8392132 [0,0,1,0,1,0|2,0,0]=4 247 B14R1.716 COC(=O)CCNCc1ccccc1 Amb288483 [0,0,1,0,1,0|2,0,0]=4 248 B14R1.716 COC(=O)CCNCc1ccccc1 Amb996333 [0,0,1,0,1,0|2,0,0]=4 249 B14R1.716 COC(=O)CCOCc1ccccc1 Amb7773811 [0,0,1,0,1,0|1,0,0]=3 250 B14R1.716 N\C(CCOCc1ccccc1)=N/O Amb6257061 [0,0,1,0,1,0|2,0,0]=4 251 B14R1.979 C=CC[C@@H](CO)OCc1ccccc1 Amb27457713 [0,0,1,0,1,0|2,0,0]=4 252 B14R1.979 O=CCC(CO)OCc1ccccc1 Amb27388283 [0,0,1,0,1,0|2,0,0]=4 253 B14R1.818 CC(CCc1ccccc1)CC(=O)O Amb6749216 [0,0,1,0,1,0|2,0,0]=4 254 B14R1.818 CC(CCc1ccccc1)NC(=N)N Amb19073485 [0,0,1,0,1,0|1,0,1]=4 255 B14R1.818 C[C@@H](CC(=O)O)OCc1ccccc1 Amb24335959 [0,0,1,0,1,0|2,0,0]=4 256 B14R1.818 C[C@H](CC(N)=O)OCc1ccccc1 Amb27817889 [0,0,1,0,1,0|1,0,1]=4 257 B14R1.6449 CC(=O)[C@H](C)COCc1ccccc1 Amb27750417 [0,0,1,0,1,0|1,0,1]=4 258 B14R1.6449 CC(CCCc1ccccc1)C(=O)O Amb17235376 [0,0,1,0,1,0|2,0,0]=4 259 B14R1.6449 CC(CNCc1ccccc1)C(=O)O Amb20623866 [0,0,1,0,1,0|2,0,0]=4 260 B14R1.6449 CC(CNCc1ccccc1)C(=O)O Amb9400318 [0,0,1,0,1,0|2,0,0]=4 261 B14R1.6449 CC(COCc1ccccc1)C(=O)O Amb9399793 [0,0,1,0,1,0|1,0,0]=3 262 B14R1.6449 CC(COCc1ccccc1)C(N)=O Amb26620812 [0,0,1,0,1,0|0,0,1]=3 263 B14R1.6449 CC(CSCc1ccccc1)C(=O)O Amb9400039 [0,0,1,0,1,0|1,1,0]=4 264 B14R1.6449 CC(NOCc1ccccc1)C(=O)O Amb18652109 [0,0,1,0,1,0|2,0,0]=4 265 B14R1.6449 CC(O)C(C)COCc1ccccc1 Amb27457892 [0,0,1,0,1,0|1,0,1]=4 266 B14R1.6449 CC(O)[C@H](C)COCc1ccccc1 Amb27835977 [0,0,1,0,1,0|1,0,1]=4 267 B14R1.6449 C[C@@H](COCc1ccccc1)[C@@H](C)O Amb28188192 [0,0,1,0,1,0|1,0,1]=4 268 B14R1.6449 C[C@@H](NOCc1ccccc1)C(=O)O Amb28385656 [0,0,1,0,1,0|2,0,0]=4 269 B14R1.6449 C[C@H](COCc1ccccc1)C(N)=O Amb27814268 [0,0,1,0,1,0|0,0,1]=3 270 B14R1.6449 C[C@H](NOCc1ccccc1)C(=O)O Amb27409004 [0,0,1,0,1,0|2,0,0]=4 271 B14R1.6449 NC(=O)C(N)COCc1ccccc1 Amb25809213 [0,0,1,0,1,0|1,0,1]=4 272 B14R1.6449 NC(=O)C(O)COCc1ccccc1 Amb27591575 [0,0,1,0,1,0|1,0,1]=4 273 B14R1.6449 NC(=O)[C@H](N)COCc1ccccc1 Amb27174294 [0,0,1,0,1,0|1,0,1]=4 274 B14R1.6449 NC(COCc1ccccc1)C(=O)O Amb3941669 [0,0,1,0,1,0|2,0,0]=4 275 B14R1.6449 N[C@@H](COCc1ccccc1)C(=O)O Amb2760730 [0,0,1,0,1,0|2,0,0]=4 276 B14R1.6449 N[C@@H](COCc1ccccc1)C(=O)O Amb31289420 [0,0,1,0,1,0|2,0,0]=4 277 B14R1.6449 N[C@H](COCc1ccccc1)C(=O)O Amb19944297 [0,0,1,0,1,0|2,0,0]=4 278 B14R1.6449 N[C@H](COCc1ccccc1)C(=O)O Amb3938903 [0,0,1,0,1,0|2,0,0]=4 279 B14R1.6449 O=C(O)C(O)COCc1ccccc1 Amb8393609 [0,0,1,0,1,0|2,0,0]=4 280 B14R1.6449 O=C(O)[C@@H](O)COCc1ccccc1 Amb25088415 [0,0,1,0,1,0|2,0,0]=4 281 B14R1.6449 O=C(O)[C@H](O)COCc1ccccc1 Amb24428781 [0,0,1,0,1,0|2,0,0]=4 282 B14R2.101 C1=CCC(COc2ccccc2)C1 Amb35629192 [1,0,0,0,1,0|2,0,0]=4 283 B14R2.101 C1=CCC(OCc2ccccc2)C1 Amb25786312 [1,0,0,0,1,0|2,0,0]=4 284 B14R2.101 c1ccc(CCc2ncon2)cc1 Amb27951724 [1,0,0,0,1,0|1,0,1]=4 285 B14R2.3019 c1ccc(COCC2CCN2)cc1 Amb21959288 [1,0,0,0,1,0|0,0,2]=4 286 B14R2.3019 c1ccc(COCC2CNC2)cc1 Amb21959278 [1,0,0,0,1,0|1,0,1]=4 287 B14R2.3019 c1ccc(COCC2COC2)cc1 Amb22899980 [1,0,0,0,1,0|0,0,1]=3 288 B14R2.3019 c1ccc(COC[C@H]2CCO2)cc1 Amb27486196 [1,0,0,0,1,0|1,0,1]=4 289 B14R2.3019 c1ccc(CONC2COC2)cc1 Amb28410855 [1,0,0,0,1,0|1,0,1]=4 290 B14R2.19 CC1=NC(Cc2ccccc2)CO1 Amb26964500 [0,0,0,0,2,0|1,0,0]=3 291 B14R2.19 NC1=NC(Cc2ccccc2)CO1 Amb23449444 [0,0,0,0,2,0|0,0,0]=2 292 B14R2.19 NC1=NC(Cc2ccccc2)CS1 Amb27400638 [0,0,0,0,2,0|0,1,0]=3 293 B14R2.19 NC1=NCC(Cc2ccccc2)N1 Amb27800741 [0,0,0,0,2,0|1,0,1]=4 294 B14R2.19 NC1=N[C@H](Cc2ccccc2)CO1 Amb27464486 [0,0,0,0,2,0|0,0,0]=2 295 B14R2.19 Nc1nc(Cc2ccccc2)co1 Amb22499416 [0,0,0,0,2,0|0,0,2]=4 296 B14R2.19 O=C1CC(Cc2ccccc2)CO1 Amb8487117 [0,0,0,0,2,0|2,0,0]=4 297 B14R2.19 O=C1NC(Cc2ccccc2)CO1 Amb9809273 [0,0,0,0,2,0|1,0,1]=4 298 B14R2.19 O=C1N[C@@H](Cc2ccccc2)CO1 Amb2725669 [0,0,0,0,2,0|1,0,1]=4 299 B14R2.19 O=C1N[C@H](Cc2ccccc2)CO1 Amb6357181 [0,0,0,0,2,0|1,0,1]=4 300 B14R2.19 S=C1NC(Cc2ccccc2)CO1 Amb25938312 [0,0,0,0,2,0|1,0,1]=4 301 B14R2.19 S=C1N[C@@H](Cc2ccccc2)CO1 Amb8629174 [0,0,0,0,2,0|1,0,1]=4 302 B14R2.19 S=C1N[C@H](Cc2ccccc2)CO1 Amb8629175 [0,0,0,0,2,0|1,0,1]=4 303 B14R2.31 NC1CCC1OCc2ccccc2 Amb25139601 [0,0,0,0,2,0|1,0,1]=4 304 B14R2.31 NC1CCC1OCc2ccccc2 Amb32666027 [0,0,0,0,2,0|1,0,1]=4 305 B14R2.31 N[C@@H]1CC[C@@H]1OCc2ccccc2 Amb25934784 [0,0,0,0,2,0|1,0,1]=4 306 B14R2.31 N[C@@H]1CC[C@@H]1OCc2ccccc2 Amb32663801 [0,0,0,0,2,0|1,0,1]=4 307 B14R2.31 N[C@@H]1CC[C@H]1OCc2ccccc2 Amb26582792 [0,0,0,0,2,0|1,0,1]=4 308 B14R2.31 N[C@@H]1CC[C@H]1OCc2ccccc2 Amb32663871 [0,0,0,0,2,0|1,0,1]=4 309 B14R2.31 O=C1CCC1OCc2ccccc2 Amb22896544 [0,0,0,0,2,0|2,0,0]=4 310 B14R2.31 O=C1CC[C@@H]1OCc2ccccc2 Amb24494962 [0,0,0,0,2,0|2,0,0]=4 311 B14R2.31 O=C1CC[C@H]1OCc2ccccc2 Amb27972934 [0,0,0,0,2,0|2,0,0]=4 312 B14R2.31 O=C1NCC1OCc2ccccc2 Amb27969209 [0,0,0,0,2,0|2,0,0]=4 313 B14R2.436 C=C1CC(OCc2ccccc2)C1 Amb25911266 [0,0,0,0,2,0|2,0,0]=4 314 B14R2.436 NC1CC(CCc2ccccc2)C1 Amb27415257 [0,0,0,0,2,0|1,0,1]=4 315 B14R2.436 NC1CC(COc2ccccc2)C1 Amb29890773 [0,0,0,0,2,0|1,0,1]=4 316 B14R2.436 NC1CC(COc2ccccc2)C1 Amb35752102 [0,0,0,0,2,0|1,0,1]=4 317 B14R2.436 NC1CC(OCc2ccccc2)C1 Amb20242212 [0,0,0,0,2,0|1,0,1]=4 318 B14R2.436 NC1CC(OCc2ccccc2)C1 Amb33156925 [0,0,0,0,2,0|1,0,1]=4 319 B14R2.436 N[C@H]1C[C@@H](COc2ccccc2)C1 Amb35751614 [0,0,0,0,2,0|1,0,1]=4 320 B14R2.436 N[C@H]1C[C@@H](COc2ccccc2)C1 Amb35753087 [0,0,0,0,2,0|1,0,1]=4 321 B14R2.436 N[C@H]1C[C@@H](OCc2ccccc2)C1 Amb22746995 [0,0,0,0,2,0|1,0,1]=4 322 B14R2.436 N[C@H]1C[C@@H](OCc2ccccc2)C1 Amb30526921 [0,0,0,0,2,0|1,0,1]=4 323 B14R2.436 N[C@H]1C[C@H](COc2ccccc2)C1 Amb35749919 [0,0,0,0,2,0|1,0,1]=4 324 B14R2.436 N[C@H]1C[C@H](COc2ccccc2)C1 Amb35752132 [0,0,0,0,2,0|1,0,1]=4 325 B14R2.436 N[C@H]1C[C@H](OCc2ccccc2)C1 Amb22746997 [0,0,0,0,2,0|1,0,1]=4 326 B14R2.436 N[C@H]1C[C@H](OCc2ccccc2)C1 Amb22746998 [0,0,0,0,2,0|1,0,1]=4 327 B14R2.436 O=C1CC(CCc2ccccc2)C1 Amb27235487 [0,0,0,0,2,0|2,0,0]=4 328 B14R2.436 O=C1CC(OCc2ccccc2)C1 Amb10844904 [0,0,0,0,2,0|2,0,0]=4 329 B14R2.436 O=C1C[C@@H](CCc2ccccc2)N1 Amb27413661 [0,0,0,0,2,0|1,0,1]=4 330 B14R2.436 O=C1C[C@H](CCc2ccccc2)N1 Amb27206618 [0,0,0,0,2,0|1,0,1]=4 331 B14R2.49 F[C@@H]1C[C@@H]1COCc2ccccc2 Amb28058620 [0,0,0,0,2,0|1,0,1]=4 332 B14R2.49 F[C@@H]1C[C@H]1COCc2ccccc2 Amb27776191 [0,0,0,0,2,0|1,0,1]=4 333 B14R2.49 O[C@@H]1C[C@H]1COCc2ccccc2 Amb28065966 [0,0,0,0,2,0|1,0,1]=4 334 B16R1.596 N=C(N)CCCCCOCc1ccccc1 Amb27227771 [0,0,1,0,0,1|1,0,0]=3 335 B16R1.596 NC(=O)CCNCCOCc1ccccc1 Amb28144301 [0,0,1,0,0,1|2,0,0]=4 336 B16R1.596 NC(=S)CCOCCOCc1ccccc1 Amb28197331 [0,0,1,0,0,1|2,0,0]=4 337 B16R1.596 O=C(O)COCCCOCc1ccccc1 Amb27656253 [0,0,1,0,0,1|2,0,0]=4 338 B16R2.2257 c1ccc(CONCc2cocn2)cc1 Amb27192073 [1,0,0,0,0,1|0,0,2]=4