0 B13R1.153 C#CCNC(=O)CCc1ccco1 Amb10690808 [0,0,0,0,0,0|2,0,2]=4 1 B13R1.153 C#CCNC(=O)NCc1ccco1 Amb25762592 [0,0,0,0,0,0|2,0,2]=4 2 B13R1.153 CCCCC(=O)OCC1OCCO1 Amb24688887 [0,0,0,0,0,0|1,0,3]=4 3 B13R1.153 CCCNC(=N)CCc1ccc[s]1 Amb22465752 [0,0,0,0,0,0|3,1,0]=4 4 B13R1.153 CCCNC(=O)CCc1nccs1 Amb16918595 [0,0,0,0,0,0|3,1,0]=4 5 B13R1.153 CCNCC(=O)NCc1ccco1 Amb18187082 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.153 CCOCC(=O)NCc1cscc1 Amb10945332 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.153 CCONC(=O)CCc1ccco1 Amb13994092 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.153 CCONC(=O)CCc1cccs1 Amb13980616 [0,0,0,0,0,0|3,1,0]=4 9 B13R1.153 CNCCC(=O)NCc1ccc[s]1 Amb19067239 [0,0,0,0,0,0|2,1,0]=3 10 B13R1.153 COCCS(=O)CCc1ccc[s]1 Amb24271381 [0,0,0,0,0,0|3,1,0]=4 11 B13R1.153 CSCCC(=O)NCc1cccs1 Amb10611755 [0,0,0,0,0,0|2,1,0]=3 12 B13R1.153 ClCCCC(=O)NCc1ccco1 Amb1124844 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.153 ClCCCC(=O)NCc1nccs1 Amb17326606 [0,0,0,0,0,0|3,1,0]=4 14 B13R1.153 N#CCCC(=O)NCc1ccco1 Amb17335216 [0,0,0,0,0,0|2,0,1]=3 15 B13R1.153 NCCNC(=O)NCc1ccco1 Amb17233984 [0,0,0,0,0,0|3,0,0]=3 16 B13R1.153 [N-]=[N+]=NCC(=O)NCc1ccco1 Amb18178798 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.37 CCCCCCCc1ccc[s]1 Amb24089104 [1,0,0,0,0,0|1,1,1]=4 18 B12R1.37 CCCCCCCc1ccco1 Amb10070289 [1,0,0,0,0,0|1,0,1]=3 19 B12R1.37 CCNCCNCc1ccco1 Amb18805892 [1,0,0,0,0,0|2,0,1]=4 20 B12R1.37 COCCCNCc1ccco1 Amb2172729 [1,0,0,0,0,0|2,0,1]=4 21 B12R1.37 OCCCCNCc1ccco1 Amb17334767 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.51 BrCCC(=O)NCc1ccco1 Amb17323760 [1,0,0,0,0,0|2,0,0]=3 23 B12R1.51 BrCCC(=O)NCc1cccs1 Amb17324547 [1,0,0,0,0,0|2,1,0]=4 24 B12R1.51 CCCC(=O)NCc1cccs1 Amb17793921 [1,0,0,0,0,0|1,1,0]=3 25 B12R1.51 CCCC(=O)NCc1cscc1 Amb10945326 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.51 CCCC(=O)OCc1ccco1 Amb22353279 [1,0,0,0,0,0|0,0,0]=1 27 B12R1.51 CCNC(=N)NCc1ccco1 Amb18798817 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.51 CCNC(=O)/C=C/c1ccco1 Amb17869798 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.51 CCNC(=O)NCc1ccc[nH]1 Amb25806472 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.51 CCNC(=O)NCc1ccco1 Amb24497204 [1,0,0,0,0,0|2,0,0]=3 31 B12R1.51 CCNC(=O)OCc1cocc1 Amb2429106 [1,0,0,0,0,0|3,0,0]=4 32 B12R1.51 CCOC(=O)\C=C\c1ccco1 Amb1033025 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.51 CNCC(=O)NCc1ccc[s]1 Amb19373753 [1,0,0,0,0,0|2,1,0]=4 34 B12R1.51 CNCC(=O)NCc1ccco1 Amb13951291 [1,0,0,0,0,0|2,0,0]=3 35 B12R1.51 COCC(=O)NCc1cccs1 Amb10669182 [1,0,0,0,0,0|2,1,0]=4 36 B12R1.51 CSCC(=O)NCc1ccco1 Amb15739621 [1,0,0,0,0,0|2,0,0]=3 37 B12R1.51 ClCCC(=O)NCc1ccco1 Amb1137792 [1,0,0,0,0,0|2,0,0]=3 38 B12R1.51 NCCC(=O)NCc1ccco1 Amb1127809 [1,0,0,0,0,0|2,0,0]=3 39 B12R1.51 NCCC(=O)NCc1ccco1 Amb21958909 [1,0,0,0,0,0|2,0,0]=3 40 B12R1.51 OCCC(=O)NCc1ccco1 Amb17334760 [1,0,0,0,0,0|2,0,0]=3 41 B12R1.51 [C-]#[N+]CC(=O)NCc1ccco1 Amb24574077 [1,0,0,0,0,0|2,0,1]=4 42 B14R1.86 BrCCCCC(=O)NCc1ccco1 Amb17267437 [0,1,0,0,0,0|1,0,0]=2 43 B14R1.86 C=CCNCC(=O)NCc1ccco1 Amb20082335 [0,1,0,0,0,0|1,0,2]=4 44 B14R1.86 CCCCCC(=O)OCc1ccco1 Amb22731655 [0,1,0,0,0,0|0,0,0]=1 45 B14R1.86 CCCCCC(=S)NCc1ccco1 Amb10573684 [0,1,0,0,0,0|1,1,0]=3 46 B14R1.86 CCCCNC(=O)CCc1nccs1 Amb16918599 [0,1,0,0,0,0|2,1,0]=4 47 B14R1.86 CCCCNC(=O)NCc1ccc[s]1 Amb20704444 [0,1,0,0,0,0|1,1,0]=3 48 B14R1.86 CCCCN\C(\N)=N\Cc1ccc[s]1 Amb24235138 [0,1,0,0,0,0|2,1,0]=4 49 B14R1.86 CCCNCC(=O)NCc1ccco1 Amb19081578 [0,1,0,0,0,0|1,0,0]=2 50 B14R1.86 CCCSCC(=O)NCc1cscn1 Amb13475438 [0,1,0,0,0,0|3,0,0]=4 51 B14R1.86 COCCNC(=O)/C=C/c1ccco1 Amb17794098 [0,1,0,0,0,0|2,0,1]=4 52 B14R1.86 COCCNC(=O)CCc1ccco1 Amb10690792 [0,1,0,0,0,0|2,0,0]=3 53 B14R1.86 COCCNC(=O)CCc1cccs1 Amb10671749 [0,1,0,0,0,0|2,1,0]=4 54 B14R1.86 COCCNC(=O)NCc1ccco1 Amb2132794 [0,1,0,0,0,0|2,0,0]=3 55 B14R1.86 COCCNC(=O)NCc1cccs1 Amb2132793 [0,1,0,0,0,0|2,1,0]=4 56 B14R1.86 N#CCSCC(=O)NCc1ccco1 Amb14006309 [0,1,0,0,0,0|2,0,1]=4 57 B14R1.86 OCCCCC(=O)NCc1ccco1 Amb17236578 [0,1,0,0,0,0|1,0,0]=2 58 B14R1.86 OCCCNC(=O)NCc1ccc[s]1 Amb21775026 [0,1,0,0,0,0|2,1,0]=4 59 B14R1.137 ClCCCC(=O)NC(c1ccco1)C Amb17325961 [0,1,0,0,0,0|2,0,0]=3 60 B14R1.155 CCCCC(=O)NCc1ccc(Br)[s]1 Amb20958680 [0,1,0,0,0,0|1,1,0]=3 61 B14R1.155 CCCCC(=O)NCc1onc(n1)C Amb13846325 [0,1,0,0,0,0|3,0,0]=4 62 B14R1.155 CSCCC(=O)NCc1ccc(s1)Cl Amb10717335 [0,1,0,0,0,0|2,1,0]=4 63 B14R1.155 Cc1[n]c(COC(=O)COCC)o[n]1 Amb21734182 [0,1,0,0,0,0|3,0,0]=4 64 B14R1.155 Cc1[n]cc(CNC(=O)CCCC)[s]1 Amb23466867 [0,1,0,0,0,0|2,1,0]=4 65 B14R1.155 Cc1ccc(CNC(=O)CCSC)[s]1 Amb19345988 [0,1,0,0,0,0|2,1,0]=4 66 B14R1.454 ClCCCC(=O)N(Cc1cccs1)C Amb17331505 [0,1,0,0,0,0|2,1,0]=4 67 B14R1.588 CCC(NC(=O)CCc1ccco1)C Amb15744828 [0,1,0,0,0,0|2,0,0]=3 68 B14R1.588 CCC(NC(=O)NCc1ccco1)C Amb2178688 [0,1,0,0,0,0|2,0,0]=3 69 B14R1.588 CCC(NC(=O)NCc1cccs1)C Amb2178687 [0,1,0,0,0,0|2,1,0]=4 70 B14R1.588 CCN(C)CC(=O)NCc1ccc[s]1 Amb21157440 [0,1,0,0,0,0|2,1,0]=4 71 B14R1.588 N#CC(CC(=O)NCc1ccco1)C Amb17336429 [0,1,0,0,0,0|2,0,1]=4 72 B14R1.633 CCC=C(C(=O)NCc1ccco1)C Amb15748207 [0,1,0,0,0,0|1,0,2]=4 73 B14R1.633 CCCC(C(=O)NCc1cccs1)C Amb10611758 [0,1,0,0,0,0|1,1,0]=3 74 B14R1.633 CCOC(C(=O)NCc1cccs1)C Amb10647610 [0,1,0,0,0,0|2,1,0]=4 75 B14R1.633 N#CCC(C(=O)NCc1ccco1)C Amb17336428 [0,1,0,0,0,0|2,0,1]=4 76 B14R1.916 CSCCC(=O)NCc1sccc1C Amb10717508 [0,1,0,0,0,0|2,1,0]=4 77 B14R1.916 Cc1cc[s]c1CNC(=O)CCCC Amb21788104 [0,1,0,0,0,0|1,1,0]=3 78 B14R1.916 Cc1ccoc1COC(=O)CCCC Amb24063549 [0,1,0,0,0,0|0,0,0]=1 79 B14R1.4526 CC(C)CCS(=O)CCc1ccc[s]1 Amb24263538 [0,1,0,0,0,0|2,1,0]=4 80 B14R1.4526 CC(C)NCC(=O)NCc1ccco1 Amb19081573 [0,1,0,0,0,0|2,0,0]=3 81 B14R1.4526 CC(CCC(=O)NCc1ccco1)C Amb15739622 [0,1,0,0,0,0|1,0,0]=2 82 B14R1.4526 CC(CNC(=O)CCc1cccs1)C Amb16794550 [0,1,0,0,0,0|2,1,0]=4 83 B14R1.4526 CC(CNC(=O)NCc1cccs1)C Amb11256554 [0,1,0,0,0,0|2,1,0]=4 84 B14R1.4526 CC(CNC(=O)NCc1cccs1)O Amb10620089 [0,1,0,0,0,0|2,1,0]=4 85 B14R1.4526 O=C(NCc1ccco1)CCC(=O)N Amb17143167 [0,1,0,0,0,0|2,0,1]=4 86 B14R1.4526 O=C(NCc1ccco1)CSC(C)C Amb10716126 [0,1,0,0,0,0|2,0,0]=3 87 B14R1.4531 CCCCS(=O)(=O)NCc1ccc[nH]1 Amb16897633 [0,1,0,0,0,0|3,0,0]=4 88 B14R1.4531 CCCCS(=O)(=O)NCc1ccco1 Amb17895359 [0,1,0,0,0,0|2,0,0]=3 89 B14R1.4531 CCCCS(=O)(=O)NCc1cccs1 Amb17895363 [0,1,0,0,0,0|2,1,0]=4 90 B14R1.4531 OCCCS(=O)(=O)NCc1ccco1 Amb17405234 [0,1,0,0,0,0|3,0,0]=4 91 B12R0.206 CCCCC(=O)OC\C=C\CCC Amb22231664 [0,0,1,0,0,0|1,0,2]=4 92 B12R0.206 CC\C=C/CCOC(=O)CCCC Amb22731452 [0,0,1,0,0,0|1,0,2]=4 93 B14R2.50 N=C1CCCCN1Cc2cc[n]o2 Amb24652001 [0,0,0,1,0,0|3,0,0]=4 94 B14R2.50 N=C1CCCCN1Cc2ccc[s]2 Amb19052002 [0,0,0,1,0,0|2,1,0]=4 95 B14R2.50 N=C1CCCCN1Cc2ccco2 Amb18180804 [0,0,0,1,0,0|2,0,0]=3 96 B14R2.50 NC1CCCCC1Cc2ccco2 Amb1107542 [0,0,0,1,0,0|2,0,1]=4 97 B14R2.50 O=C/1CCCC\C1=C/c2cccs2 Amb2371308 [0,0,0,1,0,0|1,1,1]=4 98 B14R2.50 O=C/1CCCC\C1=C\c2ccc[nH]2 Amb25140108 [0,0,0,1,0,0|2,0,1]=4 99 B14R2.50 O=C/1CCCC\C1=C\c2ccco2 Amb1159142 [0,0,0,1,0,0|1,0,1]=3 100 B14R2.50 O=C/1CCCC\C1=C\c2cccs2 Amb1155087 [0,0,0,1,0,0|1,1,1]=4 101 B14R2.50 O=C/1NCCC\C1=C/c2ccco2 Amb25267550 [0,0,0,1,0,0|2,0,1]=4 102 B14R2.50 O=C1CCCCC1Cc2[n]cc[s]2 Amb24489359 [0,0,0,1,0,0|2,1,0]=4 103 B14R2.50 O=C1CCCCC1Cc2cc[s]c2 Amb18317878 [0,0,0,1,0,0|3,0,0]=4 104 B14R2.50 O=C1CCCCC1Cc2ccco2 Amb18178537 [0,0,0,1,0,0|1,0,0]=2 105 B14R2.50 O=C1CCCCC1Cc2cccs2 Amb17508882 [0,0,0,1,0,0|1,1,0]=3 106 B14R2.50 O=C1CCCCC1Sc2[n]cco2 Amb24359382 [0,0,0,1,0,0|3,0,0]=4 107 B14R2.50 O=C1CCCCN1Cc2ccc[nH]2 Amb25804758 [0,0,0,1,0,0|2,0,0]=3 108 B14R2.50 O=C1CCNCC1Cc2ccc[s]2 Amb25311817 [0,0,0,1,0,0|2,1,0]=4 109 B14R2.50 O=C1CCOCC1Cc2ccc[s]2 Amb25733976 [0,0,0,1,0,0|2,1,0]=4 110 B14R2.50 O=C1CNCCN1Cc2ccc[s]2 Amb18285124 [0,0,0,1,0,0|2,1,0]=4 111 B14R2.50 O=C1CNCCN1Cc2ccco2 Amb22009243 [0,0,0,1,0,0|2,0,0]=3 112 B14R2.50 O=C1NCCCC1Cc2ccc[s]2 Amb25153795 [0,0,0,1,0,0|2,1,0]=4 113 B14R2.50 O=C1NCCCN1Cc2cc[n]o2 Amb25685044 [0,0,0,1,0,0|3,0,0]=4 114 B14R2.50 O=C1NCCCN1Cc2ccc[s]2 Amb24384834 [0,0,0,1,0,0|2,1,0]=4 115 B14R2.50 O=C1NCCC[C@@H]1Cc2ccco2 Amb25191739 [0,0,0,1,0,0|2,0,0]=3 116 B14R2.50 O=C1NCCN[C@@H]1Cc2ccco2 Amb25674673 [0,0,0,1,0,0|3,0,0]=4 117 B14R2.50 O=C1NCCN[C@H]1Cc2ccco2 Amb24599387 [0,0,0,1,0,0|3,0,0]=4 118 B14R2.50 OC1CCCCC1Cc2ccco2 Amb18178849 [0,0,0,1,0,0|1,0,2]=4 119 B14R2.101 C(Cc1ccco1)C2CCCCN2 Amb18065857 [0,0,0,1,0,0|2,0,1]=4 120 B14R2.101 C(NC=1CCCCN1)c2cc[n]o2 Amb25232489 [0,0,0,1,0,0|3,0,0]=4 121 B14R2.101 C(NC=1CCCCN1)c2ccc[s]2 Amb24461317 [0,0,0,1,0,0|2,1,0]=4 122 B14R2.101 C(NC=1CCCCN1)c2ccco2 Amb24489340 [0,0,0,1,0,0|2,0,0]=3 123 B14R2.101 C(NN1CCCCC1)c2ccco2 Amb24491112 [0,0,0,1,0,0|3,0,0]=4 124 B14R2.101 C(OC1CCCCO1)c2ccc[s]2 Amb24643836 [0,0,0,1,0,0|0,1,2]=4 125 B14R2.101 C(OC1CCCCO1)c2ccco2 Amb25837489 [0,0,0,1,0,0|0,0,2]=3 126 B14R2.101 C(OC1CNCCC1)c2ccco2 Amb18296370 [0,0,0,1,0,0|2,0,1]=4 127 B14R2.101 C(O[C@@H]1CNCCC1)c2ccco2 Amb25697398 [0,0,0,1,0,0|2,0,1]=4 128 B14R2.101 C(SC1CCCCC1)c2ccco2 Amb24458283 [0,0,0,1,0,0|1,1,1]=4 129 B14R2.124 CCC1NC(=O)CC1c2ccc[s]2 Amb24363878 [0,0,0,1,0,0|2,1,0]=4 130 B14R2.124 CCC1NC(=O)CC1c2ccco2 Amb25065747 [0,0,0,1,0,0|2,0,0]=3 131 B14R2.124 CCC1NC(=O)NC1c2ccco2 Amb24681174 [0,0,0,1,0,0|2,0,0]=3 132 B14R2.124 CCN1CC(=O)NC1c2ccco2 Amb25681251 [0,0,0,1,0,0|2,0,0]=3 133 B14R2.124 CC[C@H]1NC(=O)N[C@H]1c2ccc[s]2 Amb25231255 [0,0,0,1,0,0|2,1,0]=4 134 B14R2.124 O=C1C[C@H]([C@@H](C1)C=O)c2ccco2 Amb24737360 [0,0,0,1,0,0|2,0,1]=4 135 B14R2.124 OCC1CC(=O)CC1c2ccco2 Amb25280252 [0,0,0,1,0,0|2,0,0]=3 136 B14R2.124 OCC1NC(=O)OC1c2ccc[s]2 Amb24393445 [0,0,0,1,0,0|2,1,0]=4 137 B14R2.252 CC1CNC(NCc2ccco2)=N1 Amb24665312 [0,0,0,1,0,0|3,0,0]=4 138 B14R2.252 NC1CC(CC1)OCc2ccco2 Amb25344016 [0,0,0,1,0,0|2,0,1]=4 139 B14R2.306 CC1NCC(C)OC1c2ccco2 Amb18805257 [0,0,0,1,0,0|2,0,1]=4 140 B14R2.306 CN1CCC(=O)CC1c2ccc[s]2 Amb25119927 [0,0,0,1,0,0|2,1,0]=4 141 B14R2.306 CN1CCC(=O)CC1c2ccco2 Amb25157270 [0,0,0,1,0,0|2,0,0]=3 142 B14R2.306 O=C1CCC(C(N1)c2ccco2)N Amb17400756 [0,0,0,1,0,0|2,0,0]=3 143 B14R2.306 O=C1CCC(C(N1)c2cccs2)N Amb17402134 [0,0,0,1,0,0|2,1,0]=4 144 B14R2.388 BrC1CC(CCCC1)c2ccco2 Amb25346526 [0,0,0,1,0,0|2,0,1]=4 145 B14R2.388 ClC1CC(CCCC1)c2ccco2 Amb25051725 [0,0,0,1,0,0|2,0,1]=4 146 B14R2.388 O=C1CC(CCCC1)c2cc[s][n]2 Amb24449493 [0,0,0,1,0,0|3,0,0]=4 147 B14R2.388 O=C1CC(CCCC1)c2cc[s]c2 Amb24428419 [0,0,0,1,0,0|3,0,0]=4 148 B14R2.388 O=C1CC(CCCC1)c2ccco2 Amb25204188 [0,0,0,1,0,0|1,0,0]=2 149 B14R2.388 O=C1CC(CCCC1)c2ccoc2 Amb24473403 [0,0,0,1,0,0|3,0,0]=4 150 B14R2.388 O=C1CC(NCCN1)c2ccco2 Amb18065920 [0,0,0,1,0,0|3,0,0]=4 151 B14R2.388 O=C1CC(SCCN1)c2ccco2 Amb22642285 [0,0,0,1,0,0|3,0,0]=4 152 B14R2.388 O=C1CCCCC(=C1)c2ccc[s]2 Amb25044136 [0,0,0,1,0,0|1,1,1]=4 153 B14R2.388 O=C1CCCCC(=C1)c2ccco2 Amb24642250 [0,0,0,1,0,0|1,0,1]=3 154 B14R2.674 CC1CC1C(=O)NCc2[n]cc[s]2 Amb25051195 [0,0,0,1,0,0|2,1,0]=4 155 B14R2.674 CC1CC1C(=O)NCc2c[n]c[s]2 Amb25802625 [0,0,0,1,0,0|2,1,0]=4 156 B14R2.674 CC1CC1C(=O)NCc2cc[nH][n]2 Amb18186352 [0,0,0,1,0,0|3,0,0]=4 157 B14R2.674 CC1CC1C(=O)NCc2cc[nH]c2 Amb25342629 [0,0,0,1,0,0|3,0,0]=4 158 B14R2.674 CC1CC1C(=O)NCc2cco[n]2 Amb24353997 [0,0,0,1,0,0|3,0,0]=4 159 B14R2.674 CC1CC1C(=O)NCc2coc[n]2 Amb25235507 [0,0,0,1,0,0|3,0,0]=4 160 B14R2.674 CC1OC1C(=O)\C=C\c2ccco2 Amb25773346 [0,0,0,1,0,0|2,0,1]=4 161 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2[nH]cc[n]2 Amb24339932 [0,0,0,1,0,0|3,0,0]=4 162 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2c[nH]c[n]2 Amb24619805 [0,0,0,1,0,0|3,0,0]=4 163 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2c[n]c[s]2 Amb24747070 [0,0,0,1,0,0|2,1,0]=4 164 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2cc[n]o2 Amb25259498 [0,0,0,1,0,0|2,0,0]=3 165 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2cc[s]c2 Amb24339931 [0,0,0,1,0,0|3,0,0]=4 166 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2ccc[s]2 Amb24339930 [0,0,0,1,0,0|1,1,0]=3 167 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2ccoc2 Amb24462359 [0,0,0,1,0,0|3,0,0]=4 168 B14R2.674 C[C@@H]1C[C@H]1C(=O)NCc2coc[n]2 Amb25142216 [0,0,0,1,0,0|3,0,0]=4 169 B14R2.674 C[C@H]1C[C@@H]1C(=O)NCc2[nH]cc[n]2 Amb25823594 [0,0,0,1,0,0|3,0,0]=4 170 B14R2.674 C[C@H]1C[C@@H]1C(=O)NCc2c[nH]c[n]2 Amb25323357 [0,0,0,1,0,0|3,0,0]=4 171 B14R2.674 C[C@H]1C[C@@H]1C(=O)NCc2c[s]c[n]2 Amb24582283 [0,0,0,1,0,0|3,0,0]=4 172 B14R2.674 C[C@H]1C[C@@H]1C(=O)NCc2cc[s]c2 Amb24448729 [0,0,0,1,0,0|3,0,0]=4 173 B14R2.674 C[C@H]1C[C@@H]1C(=O)NCc2ccc[nH]2 Amb25031767 [0,0,0,1,0,0|2,0,0]=3 174 B14R2.674 C[C@H]1C[C@@H]1C(=O)NCc2cco[n]2 Amb25255877 [0,0,0,1,0,0|3,0,0]=4 175 B14R2.674 C[C@H]1C[C@@H]1C(=O)NCc2coc[n]2 Amb24569772 [0,0,0,1,0,0|3,0,0]=4 176 B14R2.991 CCCCc1cc2ccoc2cc1 Amb25840635 [0,0,0,1,0,0|2,0,1]=4 177 B14R2.1887 CO[C@H]/1CC(=O)\C1=C\c2ccco2 Amb25318874 [0,0,0,1,0,0|2,0,1]=4 178 B14R2.4572 CC/1CCC(=O)\C1=C/c2ccco2 Amb25262672 [0,0,0,1,0,0|1,0,1]=3 179 B14R2.4572 CC1CCC(C)N1Cc2ccco2 Amb24688966 [0,0,0,1,0,0|2,0,1]=4 180 B14R2.4572 CC=1CCC(=O)C1Cc2ccco2 Amb24418931 [0,0,0,1,0,0|1,0,1]=3 181 B14R2.4572 O=C1CCC(=O)N1Cc2ccco2 Amb25279647 [0,0,0,1,0,0|2,0,1]=4 182 B14R2.5478 CC1(CCCC1)NCc2ccco2 Amb18291922 [0,0,0,1,0,0|2,0,1]=4 183 B14R2.13184 N=C(NCc1ccco1)NC2CC2 Amb18184514 [0,0,0,1,0,0|3,0,0]=4 184 B14R2.13184 O=C(NC1CC1)NCc2ccco2 Amb2132676 [0,0,0,1,0,0|2,0,0]=3 185 B14R2.13184 O=C(NCc1ccc[s]1)NC2CC2 Amb24370594 [0,0,0,1,0,0|2,1,0]=4 186 B14R2.13184 S=C(NC1CC1)SCc2ccco2 Amb10587238 [0,0,0,1,0,0|1,2,0]=4 187 B14R2.40225 O=C(C1CCC1)NCc2cscc2 Amb10945329 [0,0,0,1,0,0|3,0,0]=4 188 B14R2.40225 O=C(NCc1[nH]cc[n]1)C2CCC2 Amb24687708 [0,0,0,1,0,0|3,0,0]=4 189 B14R2.40225 O=C(NCc1c[n]c[s]1)C2CCC2 Amb25722812 [0,0,0,1,0,0|2,1,0]=4 190 B14R2.40225 O=C(NCc1c[s]c[n]1)C2CCC2 Amb25072090 [0,0,0,1,0,0|3,0,0]=4 191 B14R2.40225 O=C(NCc1cc[nH][n]1)C2CCC2 Amb18186351 [0,0,0,1,0,0|3,0,0]=4 192 B14R2.40225 O=C(NCc1cc[nH]c1)C2CCC2 Amb25191731 [0,0,0,1,0,0|3,0,0]=4 193 B14R2.40225 O=C(NCc1cc[n]o1)C2CCC2 Amb24423232 [0,0,0,1,0,0|2,0,0]=3 194 B14R2.40225 O=C(NCc1cc[n]o1)C2CNC2 Amb25110390 [0,0,0,1,0,0|3,0,0]=4 195 B14R2.40225 O=C(NCc1ccc[nH]1)C2CCO2 Amb25818320 [0,0,0,1,0,0|3,0,0]=4 196 B14R2.40225 O=C(NCc1ccc[nH]1)C2CNC2 Amb25750642 [0,0,0,1,0,0|3,0,0]=4 197 B14R2.40225 O=C(NCc1ccc[s]1)C2CCN2 Amb24603217 [0,0,0,1,0,0|2,1,0]=4 198 B14R2.40225 O=C(NCc1ccc[s]1)N2CCC2 Amb24370851 [0,0,0,1,0,0|2,1,0]=4 199 B14R2.40225 O=C(NCc1ccco1)C2CCN2 Amb24607403 [0,0,0,1,0,0|2,0,0]=3 200 B14R2.40225 O=C(NCc1ccco1)C2COC2 Amb25683195 [0,0,0,1,0,0|2,0,0]=3 201 B14R2.40225 O=C(NCc1ccco1)N2CCC2 Amb25818322 [0,0,0,1,0,0|2,0,0]=3 202 B14R2.40225 O=C(NCc1ccco1)[C@H]2CCN2 Amb24621512 [0,0,0,1,0,0|2,0,0]=3 203 B14R2.40225 O=C(NCc1cco[n]1)C2CCC2 Amb25762594 [0,0,0,1,0,0|3,0,0]=4 204 B12R1.53 C#CCNC(=O)Cc1ccco1 Amb25751614 [0,0,0,0,1,0|1,0,2]=4 205 B12R1.53 CC#CCC(=O)Cc1ccc[s]1 Amb18809099 [0,0,0,0,1,0|0,1,2]=4 206 B12R1.53 CCCCC(=O)Nc1[n]cco1 Amb24719273 [0,0,0,0,1,0|2,0,0]=3 207 B12R1.53 CCCCC(=O)Nc1c[n]c[nH]1 Amb25130210 [0,0,0,0,1,0|3,0,0]=4 208 B12R1.53 CCCCC(=O)Nc1cc[nH][n]1 Amb18788623 [0,0,0,0,1,0|3,0,0]=4 209 B12R1.53 CCCCC(=O)Nc1cc[n]o1 Amb25058976 [0,0,0,0,1,0|2,0,0]=3 210 B12R1.53 CCCCC(=O)Nc1nccs1 Amb1000672 [0,0,0,0,1,0|2,1,0]=4 211 B12R1.53 CCCNC(=O)Nc1[n]cco1 Amb25299308 [0,0,0,0,1,0|3,0,0]=4 212 B12R1.53 CCCNC(=O)Nc1ccco1 Amb25832319 [0,0,0,0,1,0|2,0,0]=3 213 B12R1.53 CCCOC(=O)Nc1ccco1 Amb25132113 [0,0,0,0,1,0|2,0,0]=3 214 B12R1.53 CCOCC(=O)Nc1[n]cco1 Amb25144241 [0,0,0,0,1,0|3,0,0]=4 215 B12R1.53 CCOCC(=O)Nc1cc[n]o1 Amb25370096 [0,0,0,0,1,0|3,0,0]=4 216 B12R1.53 CCONC(=O)Nc1ccco1 Amb25323356 [0,0,0,0,1,0|3,0,0]=4 217 B12R1.53 CSCCC(=O)Nc1cc[n]o1 Amb25036597 [0,0,0,0,1,0|3,0,0]=4 218 B12R1.53 ClCCNC(=O)Cc1cccs1 Amb17103220 [0,0,0,0,1,0|2,1,0]=4 219 B12R1.53 NCCNC(=O)Cc1cccs1 Amb1124387 [0,0,0,0,1,0|2,1,0]=4 220 B12R1.53 O=C(Nc1ccco1)NCCF Amb24671971 [0,0,0,0,1,0|3,0,0]=4 221 B14R1.156 BrCCCC(=O)OCc1ccccc1 Amb2413170 [0,0,0,0,0,1|2,0,0]=3 222 B14R1.156 BrCCNC(=O)OCc1ccccc1 Amb10608828 [0,0,0,0,0,1|3,0,0]=4 223 B14R1.156 C#CCCC(=O)OCc1ccccc1 Amb18118053 [0,0,0,0,0,1|1,0,2]=4 224 B14R1.156 C=CCCC(=O)OCc1ccccc1 Amb24644242 [0,0,0,0,0,1|1,0,2]=4 225 B14R1.156 CCCCC(=O)NNc1ccccc1 Amb22445767 [0,0,0,0,0,1|3,0,0]=4 226 B14R1.156 CCCCC(=O)OCc1ccccc1 Amb16192632 [0,0,0,0,0,1|1,0,0]=2 227 B14R1.156 CCCCC(=O)SCc1ccccc1 Amb10562264 [0,0,0,0,0,1|1,1,0]=3 228 B14R1.156 CCCCC(=S)NCc1ccccc1 Amb10561695 [0,0,0,0,0,1|2,1,0]=4 229 B14R1.156 CCCNC(=O)CCc1ccccn1 Amb16919515 [0,0,0,0,0,1|3,0,0]=4 230 B14R1.156 CCCNC(=O)NCc1c[n]ccc1 Amb23263147 [0,0,0,0,0,1|3,0,0]=4 231 B14R1.156 CCCNC(=O)NCc1cccc[n]1 Amb23263146 [0,0,0,0,0,1|3,0,0]=4 232 B14R1.156 CCCNC(=O)NCc1ccccc1 Amb2236970 [0,0,0,0,0,1|3,0,0]=4 233 B14R1.156 CCNCC(=O)OCc1ccccc1 Amb19079330 [0,0,0,0,0,1|2,0,0]=3 234 B14R1.156 CCONC(=O)OCc1ccccc1 Amb24372859 [0,0,0,0,0,1|3,0,0]=4 235 B14R1.156 CNCCC(=O)NCc1ccccc1 Amb19073978 [0,0,0,0,0,1|3,0,0]=4 236 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb19061708 [0,0,0,0,0,1|2,0,0]=3 237 B14R1.156 CNCNC(=O)OCc1ccccc1 Amb24451123 [0,0,0,0,0,1|3,0,0]=4 238 B14R1.156 CSCCC(=O)NCc1ccccc1 Amb25311912 [0,0,0,0,0,1|3,0,0]=4 239 B14R1.156 CSCCC(=O)NCc1ccccn1 Amb10611811 [0,0,0,0,0,1|3,0,0]=4 240 B14R1.156 CSCCC(=O)NCc1cccnc1 Amb10611825 [0,0,0,0,0,1|3,0,0]=4 241 B14R1.156 CSCCC(=O)NCc1ccncc1 Amb10611816 [0,0,0,0,0,1|3,0,0]=4 242 B14R1.156 N#CCCC(=O)OCc1ccccc1 Amb17336070 [0,0,0,0,0,1|2,0,1]=4 243 B14R1.156 O=C(CCC=O)OCc1ccccc1 Amb22386911 [0,0,0,0,0,1|2,0,1]=4 244 B14R1.156 O=C(CCCCl)OCc1ccccc1 Amb19960308 [0,0,0,0,0,1|2,0,0]=3 245 B14R1.156 O=C(NCCI)OCc1ccccc1 Amb21962791 [0,0,0,0,0,1|3,0,0]=4 246 B14R1.156 O=C(NCCS)OCc1ccccc1 Amb24506531 [0,0,0,0,0,1|3,0,0]=4 247 B14R1.156 OCCNC(=O)OCc1ccccc1 Amb17719245 [0,0,0,0,0,1|3,0,0]=4 248 B14R1.156 O[13CH2][13CH2][15NH]C(=O)OCc1ccccc1 Amb17609202 [0,0,0,0,0,1|3,0,0]=4 249 B14R1.177 CCCCC(=O)NCCc1nccs1 Amb13485929 [0,0,0,0,0,1|2,1,0]=4 250 B14R1.177 CCCNC(=O)CCCc1ccc[s]1 Amb20694762 [0,0,0,0,0,1|2,1,0]=4 251 B14R1.177 CCCNC(=O)CSCc1cccs1 Amb13961114 [0,0,0,0,0,1|1,2,0]=4 252 B14R1.177 CCCNC(=O)NCCc1ccc[s]1 Amb21396224 [0,0,0,0,0,1|2,1,0]=4 253 B14R1.177 CSCCC(=O)NCCc1cccs1 Amb10667501 [0,0,0,0,0,1|2,1,0]=4 254 B14R1.177 ClCCCC(=O)NCCc1cccs1 Amb1131499 [0,0,0,0,0,1|2,1,0]=4 255 B14R1.177 NCCCC(=O)NCCc1ccc[s]1 Amb24769958 [0,0,0,0,0,1|2,1,0]=4 256 B11R0.4 C\C=C\C=C\COC(=O)CCC Amb22730253 [1,0,1,0,0,0|1,0,0]=3 257 B11R1.4 CCCCCCc1ccco1 Amb22043562 [2,0,0,0,0,0|0,0,1]=3 258 B11R1.4 CCCCNCc1ccc[s]1 Amb20673561 [2,0,0,0,0,0|1,1,0]=4 259 B11R1.4 CCCCNCc1ccco1 Amb1140392 [2,0,0,0,0,0|1,0,0]=3 260 B11R1.4 CCCCOCc1ccco1 Amb24054478 [2,0,0,0,0,0|0,0,0]=2 261 B11R1.4 CCOCOCc1ccco1 Amb21856201 [2,0,0,0,0,0|1,0,0]=3 262 B11R1.4 CCOC\C=C\c1ccco1 Amb25383225 [2,0,0,0,0,0|1,0,1]=4 263 B11R1.4 CNCCNCc1ccco1 Amb18791584 [2,0,0,0,0,0|2,0,0]=4 264 B11R1.4 CNCCSCc1ccco1 Amb18807017 [2,0,0,0,0,0|1,1,0]=4 265 B11R1.4 COCCNCc1ccco1 Amb15742113 [2,0,0,0,0,0|2,0,0]=4 266 B11R1.4 ClCCCNCc1ccco1 Amb20573428 [2,0,0,0,0,0|2,0,0]=4 267 B11R1.4 NCCCNCc1ccco1 Amb17315268 [2,0,0,0,0,0|2,0,0]=4 268 B11R1.4 NCCCOCc1ccco1 Amb1154610 [2,0,0,0,0,0|1,0,0]=3 269 B11R1.4 NCCCSCc1ccco1 Amb21984189 [2,0,0,0,0,0|1,1,0]=4 270 B11R1.25 BrCC(=O)NCc1ccco1 Amb2221075 [2,0,0,0,0,0|2,0,0]=4 271 B11R1.25 CCC(=N)NCc1ccco1 Amb25140561 [2,0,0,0,0,0|2,0,0]=4 272 B11R1.25 CCC(=O)CCc1ccco1 Amb18177203 [2,0,0,0,0,0|1,0,0]=3 273 B11R1.25 CCC(=O)NCc1cc[n]o1 Amb25728135 [2,0,0,0,0,0|2,0,0]=4 274 B11R1.25 CCC(=O)NCc1ccc[nH]1 Amb24613239 [2,0,0,0,0,0|2,0,0]=4 275 B11R1.25 CCC(=O)OCc1c[n]c[s]1 Amb24755845 [2,0,0,0,0,0|1,1,0]=4 276 B11R1.25 CCC(=O)OCc1c[s]c[n]1 Amb24755848 [2,0,0,0,0,0|2,0,0]=4 277 B11R1.25 CCC(=O)OCc1c[s]cc1 Amb24755843 [2,0,0,0,0,0|2,0,0]=4 278 B11R1.25 CCC(=O)OCc1cc[n]o1 Amb24755840 [2,0,0,0,0,0|1,0,0]=3 279 B11R1.25 CCC(=O)OCc1ccc[s]1 Amb24755816 [2,0,0,0,0,0|0,1,0]=3 280 B11R1.25 CCC(=O)OCc1ccco1 Amb22363125 [2,0,0,0,0,0|0,0,0]=2 281 B11R1.25 CCC(=O)OCc1cco[n]1 Amb24755842 [2,0,0,0,0,0|2,0,0]=4 282 B11R1.25 CCC(=O)OCc1cocc1 Amb24755841 [2,0,0,0,0,0|2,0,0]=4 283 B11R1.25 CCC(=O)\C=C\c1ccco1 Amb25233726 [2,0,0,0,0,0|1,0,1]=4 284 B11R1.25 CNC(=O)NCc1ccco1 Amb2132772 [2,0,0,0,0,0|2,0,0]=4 285 B11R1.25 NCC(=O)NCc1ccco1 Amb10609039 [2,0,0,0,0,0|2,0,0]=4 286 B11R1.25 NCC(=O)OCc1ccc[s]1 Amb19017823 [2,0,0,0,0,0|1,1,0]=4 287 B11R1.25 O=C(CBr)CCc1ccco1 Amb25379922 [2,0,0,0,0,0|2,0,0]=4 288 B11R1.25 O=C(CCl)OCc1ccco1 Amb22347137 [2,0,0,0,0,0|1,0,0]=3 289 B11R1.25 OCC(=O)CCc1ccco1 Amb18065408 [2,0,0,0,0,0|2,0,0]=4 290 B13R1.48 CCCCC#CC(O)c1ccco1 Amb24403989 [1,1,0,0,0,0|1,0,1]=4 291 B13R1.48 CCCCC#C[C@H](O)c1ccco1 Amb25037305 [1,1,0,0,0,0|1,0,1]=4 292 B13R1.48 CCCCCOC(=O)c1ccco1 Amb22230233 [1,1,0,0,0,0|0,0,2]=4 293 B13R1.119 CCCCCCCCc1ccco1 Amb22734864 [1,1,0,0,0,0|1,0,1]=4 294 B13R1.119 CCCNCCNCc1ccco1 Amb18327940 [1,1,0,0,0,0|1,0,1]=4 295 B13R1.119 CCOCCCNCc1ccco1 Amb21972190 [1,1,0,0,0,0|1,0,1]=4 296 B13R1.33 CCNC(=O)CC(c1ccco1)N Amb17233902 [1,1,0,0,0,0|2,0,0]=4 297 B13R1.41 CCNC(=O)NCc1ccc(Br)o1 Amb25663371 [1,1,0,0,0,0|2,0,0]=4 298 B13R1.554 CCC(C(=O)NCc1cccs1)C Amb13990848 [1,1,0,0,0,0|1,1,0]=4 299 B13R1.593 CC(C)CC(=O)NCc1cccs1 Amb17871242 [1,1,0,0,0,0|1,1,0]=4 300 B13R1.593 CC(C)CC(=O)OCc1ccco1 Amb22336459 [1,1,0,0,0,0|0,0,0]=2 301 B13R1.593 CC(CC(=O)\C=C\c1ccco1)C Amb17594541 [1,1,0,0,0,0|1,0,1]=4 302 B13R1.593 CN(C)CC(=O)NCc1ccco1 Amb17663814 [1,1,0,0,0,0|2,0,0]=4 303 B13R1.344 CC(C)CCC(=O)Nc1cc[n]o1 Amb24351755 [0,1,0,0,1,0|2,0,0]=4 304 B13R1.344 CC(O)CNC(=O)Nc1ccco1 Amb25305893 [0,1,0,0,1,0|2,0,0]=4 305 B13R1.545 CC(CC)NC(=O)Nc1ccco1 Amb24457615 [0,1,0,0,1,0|2,0,0]=4 306 B15R1.78 BrCCCCC(=O)NCc1ccccc1 Amb17274561 [0,1,0,0,0,1|2,0,0]=4 307 B15R1.78 BrCCCCC(=O)NCc1ccccn1 Amb17275337 [0,1,0,0,0,1|2,0,0]=4 308 B15R1.78 BrCCCCC(=O)NCc1cccnc1 Amb17275338 [0,1,0,0,0,1|2,0,0]=4 309 B15R1.78 BrCCCCC(=O)NCc1ccncc1 Amb17275339 [0,1,0,0,0,1|2,0,0]=4 310 B15R1.78 BrCCCNC(=O)OCc1ccccc1 Amb10608829 [0,1,0,0,0,1|2,0,0]=4 311 B15R1.78 CCCCCC(=O)NCc1ccccn1 Amb17798049 [0,1,0,0,0,1|2,0,0]=4 312 B15R1.78 CCCCCC(=O)NCc1cccnc1 Amb17869198 [0,1,0,0,0,1|2,0,0]=4 313 B15R1.78 CCCCCC(=O)OCc1ccccc1 Amb22734264 [0,1,0,0,0,1|1,0,0]=3 314 B15R1.78 CCCCNC(=O)CCc1ccc[n]c1 Amb20744543 [0,1,0,0,0,1|2,0,0]=4 315 B15R1.78 CCCCNC(=O)CCc1ccccn1 Amb16919519 [0,1,0,0,0,1|2,0,0]=4 316 B15R1.78 CCCCNC(=O)NCc1ccccc1 Amb2236966 [0,1,0,0,0,1|2,0,0]=4 317 B15R1.78 CCCCOC(=O)OCc1ccccc1 Amb25030436 [0,1,0,0,0,1|1,0,0]=3 318 B15R1.78 CCCNCC(=O)OCc1ccccc1 Amb24665491 [0,1,0,0,0,1|1,0,0]=3 319 B15R1.78 CCCNNC(=O)OCc1ccccc1 Amb25033630 [0,1,0,0,0,1|2,0,0]=4 320 B15R1.78 CCCOCC(=O)NCc1ccccc1 Amb12781055 [0,1,0,0,0,1|2,0,0]=4 321 B15R1.78 CCCONC(=O)OCc1ccccc1 Amb25110682 [0,1,0,0,0,1|2,0,0]=4 322 B15R1.78 CCC\C=C\C(=O)OCc1ccccc1 Amb10572343 [0,1,0,0,0,1|1,0,1]=4 323 B15R1.78 CCNCCC(=O)NCc1ccccc1 Amb24440745 [0,1,0,0,0,1|2,0,0]=4 324 B15R1.78 CNCCCC(=O)NCc1ccccc1 Amb25054837 [0,1,0,0,0,1|2,0,0]=4 325 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb10604122 [0,1,0,0,0,1|2,0,0]=4 326 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb19889524 [0,1,0,0,0,1|2,0,0]=4 327 B15R1.78 CSCCCC(=O)NCc1ccccc1 Amb18411859 [0,1,0,0,0,1|2,0,0]=4 328 B15R1.78 NCCCCC(=O)NCc1ccccc1 Amb25766130 [0,1,0,0,0,1|2,0,0]=4 329 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb17608237 [0,1,0,0,0,1|1,0,0]=3 330 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb24271768 [0,1,0,0,0,1|1,0,0]=3 331 B15R1.78 NCCCNC(=O)OCc1ccccc1 Amb10844746 [0,1,0,0,0,1|2,0,0]=4 332 B15R1.78 NCCSCC(=O)OCc1ccccc1 Amb24601908 [0,1,0,0,0,1|2,0,0]=4 333 B15R1.78 O=C(CCCC=O)OCc1ccccc1 Amb25315072 [0,1,0,0,0,1|1,0,1]=4 334 B15R1.78 O=C(CCCCBr)OCc1ccccc1 Amb22897246 [0,1,0,0,0,1|1,0,0]=3 335 B15R1.78 OCCCCC(=O)NCc1ccccn1 Amb17239826 [0,1,0,0,0,1|2,0,0]=4 336 B15R1.78 OCCCCC(=O)NCc1cccnc1 Amb17239827 [0,1,0,0,0,1|2,0,0]=4 337 B15R1.78 OCCCCC(=O)NCc1ccncc1 Amb17239828 [0,1,0,0,0,1|2,0,0]=4 338 B15R1.78 OCCCCC(=O)OCc1ccccc1 Amb25832761 [0,1,0,0,0,1|1,0,0]=3 339 B15R1.78 OCCNCC(=O)OCc1ccccc1 Amb18115236 [0,1,0,0,0,1|2,0,0]=4 340 B15R1.78 [NH3+]CCCNC(=O)OCc1ccccc1 Amb22452694 [0,1,0,0,0,1|2,0,0]=4 341 B15R1.127 CCCCC(=O)NCc1cccc(Br)c1 Amb21263666 [0,1,0,0,0,1|2,0,0]=4 342 B15R1.127 CCCCC(=O)NCc1cccc(F)c1 Amb21262603 [0,1,0,0,0,1|2,0,0]=4 343 B15R1.127 Cc1cc(CNC(=O)CCCC)ccc1 Amb21807333 [0,1,0,0,0,1|2,0,0]=4 344 B15R1.139 CCCCC(=O)CCc1ccc(cc1)C Amb10561850 [0,1,0,0,0,1|2,0,0]=4 345 B15R1.741 CC(CN)CC(=O)OCc1ccccc1 Amb25310925 [0,1,0,0,0,1|2,0,0]=4 346 B15R1.741 CCC(C)CC(=O)NCc1ccccc1 Amb25806017 [0,1,0,0,0,1|2,0,0]=4 347 B15R1.741 CCC(C)NC(=O)OCc1ccccc1 Amb25365237 [0,1,0,0,0,1|2,0,0]=4 348 B15R1.741 CC[C@@H](C)NC(=O)OCc1ccccc1 Amb25840930 [0,1,0,0,0,1|2,0,0]=4 349 B15R1.741 CC[C@@H](O)CC(=O)NCc1ccccc1 Amb25840901 [0,1,0,0,0,1|2,0,0]=4 350 B15R1.741 CC[C@H](O)CC(=O)NCc1ccccc1 Amb24658296 [0,1,0,0,0,1|2,0,0]=4 351 B15R1.741 NCC(O)CC(=O)OCc1ccccc1 Amb24629884 [0,1,0,0,0,1|2,0,0]=4 352 B15R1.826 CC(CCN)C(=O)OCc1ccccc1 Amb25766197 [0,1,0,0,0,1|2,0,0]=4 353 B15R1.826 CCCC(=C)C(=O)OCc1ccccc1 Amb22360690 [0,1,0,0,0,1|1,0,1]=4 354 B15R1.826 CCCC(N)C(=O)OCc1ccccc1 Amb23511177 [0,1,0,0,0,1|1,0,0]=3 355 B15R1.826 CCCN(C)C(=O)OCc1ccccc1 Amb24730011 [0,1,0,0,0,1|2,0,0]=4 356 B15R1.826 CCC[C@@H](N)C(=O)NCc1ccccc1 Amb24426302 [0,1,0,0,0,1|2,0,0]=4 357 B15R1.826 CCC[C@@H](N)C(=O)OCc1ccccc1 Amb24555643 [0,1,0,0,0,1|1,0,0]=3 358 B15R1.826 CCC[C@H](N)C(=O)NCc1ccccc1 Amb24642523 [0,1,0,0,0,1|2,0,0]=4 359 B15R1.826 CCC[C@H](O)C(=O)OCc1ccccc1 Amb24373998 [0,1,0,0,0,1|1,0,0]=3 360 B15R1.826 CCNC(C)C(=O)OCc1ccccc1 Amb24460870 [0,1,0,0,0,1|2,0,0]=4 361 B15R1.826 CCN[C@@H](C)C(=O)OCc1ccccc1 Amb25324612 [0,1,0,0,0,1|2,0,0]=4 362 B15R1.826 CNCC(C)C(=O)OCc1ccccc1 Amb25087131 [0,1,0,0,0,1|2,0,0]=4 363 B15R1.826 CNCC(N)C(=O)OCc1ccccc1 Amb22288720 [0,1,0,0,0,1|2,0,0]=4 364 B15R1.826 COC[C@@H](N)C(=O)OCc1ccccc1 Amb22899198 [0,1,0,0,0,1|2,0,0]=4 365 B15R1.826 CSCC(C)C(=O)OCc1ccccc1 Amb24763535 [0,1,0,0,0,1|2,0,0]=4 366 B15R1.826 N[C@@H](CCO)C(=O)OCc1ccccc1 Amb22756996 [0,1,0,0,0,1|2,0,0]=4 367 B15R1.826 O=C(OCc1ccccc1)C(Br)CCBr Amb22265938 [0,1,0,0,0,1|2,0,0]=4 368 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 Amb21683356 [0,1,0,0,0,1|2,0,0]=4 369 B15R1.5919 CC(CCC(=O)CCc1ccccc1)C Amb10561852 [0,1,0,0,0,1|2,0,0]=4 370 B15R1.5919 CC(CCC(=O)NCc1ccccc1)O Amb17338796 [0,1,0,0,0,1|2,0,0]=4 371 B15R1.5919 CC(F)CNC(=O)OCc1ccccc1 Amb25122755 [0,1,0,0,0,1|2,0,0]=4 372 B15R1.5919 CC(N)CCC(=O)NCc1ccccc1 Amb25269991 [0,1,0,0,0,1|2,0,0]=4 373 B15R1.5919 CC(N)CCC(=O)OCc1ccccc1 Amb25671189 [0,1,0,0,0,1|1,0,0]=3 374 B15R1.5919 CC(N)CNC(=O)OCc1ccccc1 Amb25678582 [0,1,0,0,0,1|2,0,0]=4 375 B15R1.5919 CN(C)CCC(=O)OCc1ccccc1 Amb24401553 [0,1,0,0,0,1|2,0,0]=4 376 B15R1.593 CCCCC(=O)NCC(=O)c1cccs1 Amb17343405 [0,1,0,0,0,1|1,1,0]=4 377 B15R1.593 CCCCC(=O)NCC(c1cccs1)O Amb17343887 [0,1,0,0,0,1|1,1,0]=4 378 B15R1.593 CCCNC(=O)CCC(=O)c1ccco1 Amb16920129 [0,1,0,0,0,1|2,0,0]=4 379 B15R1.1237 CCCCC(=O)NC(Cc1cccs1)C Amb10940500 [0,1,0,0,0,1|1,1,0]=4 380 B15R1.1237 CCOCC(=O)NC(Cc1ccco1)C Amb13799269 [0,1,0,0,0,1|2,0,0]=4 381 B15R1.1237 ClCCCC(=O)NC(Cc1ccco1)C Amb13837838 [0,1,0,0,0,1|2,0,0]=4 382 B15R1.1376 CCCCCC(=O)N\N=C\c1ccco1 Amb1784992 [0,1,0,0,0,1|1,0,1]=4 383 B15R1.1376 CCCCNC(=O)CNCc1ccco1 Amb20081531 [0,1,0,0,0,1|1,0,0]=3 384 B15R1.1376 CCCCNC(=O)NCCc1ccc[s]1 Amb21396225 [0,1,0,0,0,1|1,1,0]=4 385 B15R1.1376 COCCNC(=O)CNCc1ccco1 Amb20081535 [0,1,0,0,0,1|2,0,0]=4 386 B15R1.77 CCCCCC(=O)NCc1ccc(Br)[s]1 Amb20958957 [0,2,0,0,0,0|1,1,0]=4 387 B15R1.77 CCCCNC(=O)C=Cc1ccc(o1)I Amb11217201 [0,2,0,0,0,0|1,0,1]=4 388 B15R1.503 CC(C)CCNC(=O)NCc1ccc[s]1 Amb21775028 [0,2,0,0,0,0|1,1,0]=4 389 B15R1.503 CC(C)CCN\C(\N)=N\Cc1ccco1 Amb24222561 [0,2,0,0,0,0|2,0,0]=4 390 B15R1.503 CC(C)CCOC(=O)CCc1ccco1 Amb19884047 [0,2,0,0,0,0|1,0,0]=3 391 B15R1.503 CC(CCNC(=O)CCc1ccco1)C Amb16794527 [0,2,0,0,0,0|1,0,0]=3 392 B15R1.503 CC(CCNC(=O)CCc1cccs1)C Amb10671850 [0,2,0,0,0,0|1,1,0]=4 393 B15R1.503 CC(CCNC(=O)NCc1ccco1)C Amb16800198 [0,2,0,0,0,0|1,0,0]=3 394 B15R1.503 CC(N)CCNC(=O)CCc1ccc[s]1 Amb24783204 [0,2,0,0,0,0|1,1,0]=4 395 B15R1.503 O=C(NCc1ccco1)CCCC(=O)O Amb1811880 [0,2,0,0,0,0|1,0,1]=4 396 B15R1.503 O=C(NCc1ccco1)CCNC(=O)C Amb16951663 [0,2,0,0,0,0|1,0,1]=4 397 B15R1.579 CCCCCCC(=O)OCc1ccco1 Amb22351636 [0,2,0,0,0,0|0,0,0]=2 398 B15R1.579 CCCCCNC(=O)/C=C/c1ccco1 Amb17861387 [0,2,0,0,0,0|1,0,1]=4 399 B15R1.579 CCCCCNC(=O)CCc1ccco1 Amb16794528 [0,2,0,0,0,0|1,0,0]=3 400 B15R1.579 CCCCCNC(=O)CCc1cccs1 Amb16794604 [0,2,0,0,0,0|1,1,0]=4 401 B15R1.579 CCCCCNC(=O)NCc1ccc[s]1 Amb21775000 [0,2,0,0,0,0|1,1,0]=4 402 B15R1.579 CCCCNCC(=O)NCc1ccco1 Amb19969743 [0,2,0,0,0,0|1,0,0]=3 403 B15R1.579 CCNCCNC(=O)CCc1ccc[s]1 Amb25398874 [0,2,0,0,0,0|1,1,0]=4 404 B15R1.579 COCCCNC(=O)/C=C/c1ccco1 Amb17870828 [0,2,0,0,0,0|1,0,1]=4 405 B15R1.579 COCCCNC(=O)CCc1ccco1 Amb16794500 [0,2,0,0,0,0|1,0,0]=3 406 B15R1.579 COCCCNC(=O)CCc1cccs1 Amb16794556 [0,2,0,0,0,0|1,1,0]=4 407 B15R1.579 COCCCNC(=O)NCc1ccco1 Amb11256368 [0,2,0,0,0,0|1,0,0]=3 408 B15R1.579 COCCCNC(=O)NCc1cccs1 Amb11256453 [0,2,0,0,0,0|1,1,0]=4 409 B15R1.579 COCCOCC(=O)NCc1ccco1 Amb20705528 [0,2,0,0,0,0|1,0,0]=3 410 B15R1.579 NCCCCNC(=O)\C=C\c1ccco1 Amb18102558 [0,2,0,0,0,0|1,0,1]=4 411 B15R1.1115 CCC(=O)NCC(=O)NCc1ccco1 Amb11249032 [0,2,0,0,0,0|1,0,1]=4 412 B15R1.1115 CCC(C)NCC(=O)NCc1ccco1 Amb20218932 [0,2,0,0,0,0|1,0,0]=3 413 B15R1.1115 COC(=O)CCC(=O)NCc1ccco1 Amb17404071 [0,2,0,0,0,0|1,0,1]=4 414 B15R1.1284 CCCN(C)CC(=O)NCc1ccco1 Amb19345597 [0,2,0,0,0,0|1,0,0]=3 415 B15R1.1284 COCC(C)NC(=O)NCc1ccco1 Amb19422904 [0,2,0,0,0,0|2,0,0]=4 416 B15R1.1284 COCC(NC(=O)CCc1ccco1)C Amb10624274 [0,2,0,0,0,0|2,0,0]=4 417 B15R1.1378 Cc1cc[s]c1CNC(=O)CCCCC Amb21788530 [0,2,0,0,0,0|1,1,0]=4 418 B15R1.114 CCCNC(=O)NC(c1ccc(o1)C)C Amb11234676 [0,2,0,0,0,0|2,0,0]=4 419 B15R1.114 Cc1[n]c(o[n]1)C(C)OC(=O)CCCC Amb20920688 [0,2,0,0,0,0|2,0,0]=4 420 B15R1.114 Cc1ccc(o1)C(C)NC(=O)CCCC Amb20713620 [0,2,0,0,0,0|1,0,0]=3 421 B15R1.114 Cc1ccc(o1)C(C)NC(=O)COCC Amb21218802 [0,2,0,0,0,0|2,0,0]=4 422 B15R1.550 Cc1ccc(CN(C)C(=O)CCNC)o1 Amb24771791 [0,2,0,0,0,0|2,0,0]=4 423 B15R1.550 Cc1ccc(CN(C)C(=O)COCC)o1 Amb21128162 [0,2,0,0,0,0|2,0,0]=4 424 B15R1.825 Cc1cc(CNC(=O)C(N)CCC)o[n]1 Amb24772265 [0,2,0,0,0,0|2,0,0]=4 425 B15R1.5464 CC(C)CCC(=O)NCc1ccc(Br)[s]1 Amb20958935 [0,2,0,0,0,0|1,1,0]=4 426 B15R1.5464 Cc1[n]c(COC(=O)CCC(C)C)o[n]1 Amb21699139 [0,2,0,0,0,0|2,0,0]=4 427 B15R1.1349 CC(CC)C(N)C(=O)NCc1ccco1 Amb25388620 [0,2,0,0,0,0|1,0,0]=3 428 B15R1.3662 CC(C)C(C)NC(=O)CCc1ccco1 Amb21698260 [0,2,0,0,0,0|2,0,0]=4 429 B15R1.3662 O=C(NC(C(C)C)C)NCc1ccco1 Amb11256350 [0,2,0,0,0,0|2,0,0]=4 430 B15R1.5726 CCC(CC)NC(=O)CCc1ccco1 Amb21630697 [0,2,0,0,0,0|2,0,0]=4 431 B15R1.5726 CCN(CC(=O)NCc1ccco1)CC Amb20140853 [0,2,0,0,0,0|2,0,0]=4 432 B15R1.5726 COC(CC(=O)NCc1ccco1)CN Amb24773479 [0,2,0,0,0,0|2,0,0]=4 433 B15R1.7712 CCC(C)(C)NC(=O)CCc1ccco1 Amb21777392 [0,2,0,0,0,0|2,0,0]=4 434 B15R1.5512 CC(C)C[C@H](N)C(=O)NCc1ccc[s]1 Amb24770145 [0,2,0,0,0,0|1,1,0]=4 435 B15R1.5512 CC(C)C[C@H](N)C(=O)NCc1ccco1 Amb24770168 [0,2,0,0,0,0|1,0,0]=3 436 B15R1.355 Cc1cc[s]c1CNC(=O)CCC(C)C Amb21788492 [0,2,0,0,0,0|1,1,0]=4 437 B15R1.14834 CC(C)(C)NCC(=O)NCc1ccco1 Amb20141138 [0,2,0,0,0,0|2,0,0]=4 438 B15R1.14834 CC(C)(C)SCC(=O)NCc1ccco1 Amb20692455 [0,2,0,0,0,0|2,0,0]=4 439 B15R1.14834 O=C(CCc1ccco1)NCC(O)(C)C Amb16807010 [0,2,0,0,0,0|2,0,0]=4 440 B13R1.674 CCCCC(=O)c1ccccc1O Amb17621754 [0,0,1,1,0,0|1,0,1]=4 441 B13R2.18 CC1NCCOC1c2ccco2 Amb18947787 [1,0,0,1,0,0|1,0,1]=4 442 B13R2.29 CC1CCCN1Cc2ccco2 Amb25188421 [1,0,0,1,0,0|1,0,1]=4 443 B13R2.62 CCC1CCN1Cc2ccco2 Amb25839190 [1,0,0,1,0,0|1,0,1]=4 444 B13R2.158 CC1CCC1NCc2ccco2 Amb25044169 [1,0,0,1,0,0|1,0,1]=4 445 B13R2.183 C(OC1CNCC1)c2ccco2 Amb18988504 [1,0,0,1,0,0|1,0,1]=4 446 B13R2.677 C1CCNC(CC1)c2ccco2 Amb17622151 [1,0,0,1,0,0|1,0,1]=4 447 B13R2.677 C1CCNC(CC1)c2ccco2 Amb2234791 [1,0,0,1,0,0|1,0,1]=4 448 B13R2.13 O=C1CC(CCC1)c2ccc[s]2 Amb18564148 [1,0,0,1,0,0|1,1,0]=4 449 B13R2.13 O=C1CC(CCC1)c2ccco2 Amb25070377 [1,0,0,1,0,0|1,0,0]=3 450 B13R2.13 O=C1CCCC(N1)c2ccc[s]2 Amb24430057 [1,0,0,1,0,0|1,1,0]=4 451 B13R2.13 O=C1CCC[C@@H](N1)c2ccc[s]2 Amb25800816 [1,0,0,1,0,0|1,1,0]=4 452 B13R2.13 O=C1CCNC(C1)c2ccco2 Amb17232522 [1,0,0,1,0,0|2,0,0]=4 453 B13R2.13 O=C1C[C@H](CCC1)c2ccco2 Amb25086686 [1,0,0,1,0,0|1,0,0]=3 454 B13R2.13 O=C1NC(CCN1)c2ccco2 Amb25279940 [1,0,0,1,0,0|2,0,0]=4 455 B13R2.13 O=C1NC(CCO1)c2ccco2 Amb25057682 [1,0,0,1,0,0|2,0,0]=4 456 B13R2.122 CCC1C(NC1=O)c2ccc[s]2 Amb24497267 [1,0,0,1,0,0|1,1,0]=4 457 B13R2.122 CC[C@@H]1[C@H](NC1=O)c2ccco2 Amb24611178 [1,0,0,1,0,0|1,0,0]=3 458 B13R2.122 CC[C@H]1[C@H](NC1=O)c2ccc[s]2 Amb24611183 [1,0,0,1,0,0|1,1,0]=4 459 B13R2.4666 CC1OC(=O)NC1c2ccco2 Amb25298487 [1,0,0,1,0,0|2,0,0]=4 460 B13R2.4666 CN1CC(=O)NC1c2ccco2 Amb25119647 [1,0,0,1,0,0|2,0,0]=4 461 B13R2.4666 C[C@@H]1OC(=O)N[C@H]1c2ccco2 Amb24512820 [1,0,0,1,0,0|2,0,0]=4 462 B13R2.6970 O=C(C1CC1)NCc2cccs2 Amb1152363 [1,0,0,1,0,0|1,1,0]=4 463 B13R2.6970 O=C(C1CC1)\C=C\c2ccco2 Amb1033027 [1,0,0,1,0,0|1,0,1]=4 464 B13R2.6970 O=C(NCc1cc[n]o1)C2CC2 Amb25361912 [1,0,0,1,0,0|2,0,0]=4 465 B13R2.164 NCCCc1[n]c2ccoc2o1 Amb18827866 [0,0,0,1,1,0|2,0,0]=4 466 B13R2.166 NC1CCC(=O)Nc2occc21 Amb18827910 [0,0,0,1,1,0|2,0,0]=4 467 B13R2.201 CC1CC1C(=O)Cc2[n]cc[s]2 Amb24392420 [0,0,0,1,1,0|1,1,0]=4 468 B13R2.201 CC1CC1C(=O)Cc2cc[s]c2 Amb18796327 [0,0,0,1,1,0|2,0,0]=4 469 B13R2.201 CC1CC1C(=O)Cc2ccc[s]2 Amb18796329 [0,0,0,1,1,0|0,1,0]=3 470 B13R2.201 CC1CC1C(=O)Cc2ccco2 Amb24435075 [0,0,0,1,1,0|0,0,0]=2 471 B13R2.201 CC1CC1C(=O)Nc2[n]cco2 Amb25153804 [0,0,0,1,1,0|2,0,0]=4 472 B13R2.201 CC1CC1C(=O)Nc2cc[n]o2 Amb25806312 [0,0,0,1,1,0|2,0,0]=4 473 B13R2.201 CC1CC1C(N)Cc2ccco2 Amb25273515 [0,0,0,1,1,0|1,0,1]=4 474 B13R2.283 CCCC1C(=O)Oc2ccc[n]21 Amb24102505 [0,0,0,1,1,0|1,0,0]=3 475 B13R2.406 CC1CCC1(O)Cc2ccco2 Amb25702739 [0,0,0,1,1,0|0,0,2]=4 476 B13R2.696 O=C(Cc1ccc[nH]1)NC2CC2 Amb25043358 [0,0,0,1,1,0|2,0,0]=4 477 B13R2.696 O=C(Nc1ccco1)NC2CC2 Amb24717929 [0,0,0,1,1,0|2,0,0]=4 478 B13R2.14233 NC(Cc1ccco1)C2CCC2 Amb25823469 [0,0,0,1,1,0|1,0,1]=4 479 B13R2.14233 O=C(Cc1cc[s]c1)C2CCC2 Amb18796326 [0,0,0,1,1,0|2,0,0]=4 480 B13R2.14233 O=C(Cc1ccc[nH]1)N2CCC2 Amb25266581 [0,0,0,1,1,0|2,0,0]=4 481 B13R2.14233 O=C(Cc1ccc[s]1)C2CCC2 Amb18796328 [0,0,0,1,1,0|0,1,0]=3 482 B13R2.14233 O=C(Cc1ccco1)C2CNC2 Amb24763454 [0,0,0,1,1,0|1,0,0]=3 483 B13R2.14233 O=C(Nc1cc[n]o1)C2CCC2 Amb24497936 [0,0,0,1,1,0|2,0,0]=4 484 B15R2.16 CCC1CC(=O)NC1c2ccccc2 Amb24638731 [0,0,0,1,0,1|2,0,0]=4 485 B15R2.16 OCC1CC(=O)OC1c2ccccc2 Amb25748889 [0,0,0,1,0,1|2,0,0]=4 486 B15R2.33 CC1CNC(=O)OC1c2ccccc2 Amb24393410 [0,0,0,1,0,1|2,0,0]=4 487 B15R2.33 C[C@@H]1CNC(=O)O[C@H]1c2ccccc2 Amb25226347 [0,0,0,1,0,1|2,0,0]=4 488 B15R2.33 O=C1CC[C@@H](Cl)[C@@H](O1)c2ccccc2 Amb24638032 [0,0,0,1,0,1|2,0,0]=4 489 B15R2.38 O=C1CCCCC1Cc2[n]ccc[n]2 Amb25181922 [0,0,0,1,0,1|2,0,0]=4 490 B15R2.38 O=C1CCCCC1Cc2ccccn2 Amb17508884 [0,0,0,1,0,1|2,0,0]=4 491 B15R2.38 O=C1CCCCC1Cc2cccnc2 Amb17508885 [0,0,0,1,0,1|2,0,0]=4 492 B15R2.38 O=C1CCCCC1Cc2ccncc2 Amb17508886 [0,0,0,1,0,1|2,0,0]=4 493 B15R2.352 CCCCC1=Cc2ccccc2CO1 Amb24350496 [0,0,0,1,0,1|2,0,0]=4 494 B15R2.355 CC1CCC(=O)N1Cc2ccccc2 Amb20667833 [0,0,0,1,0,1|2,0,0]=4 495 B15R2.505 CC1OC1C(=O)OCc2ccccc2 Amb25801937 [0,0,0,1,0,1|2,0,0]=4 496 B15R2.505 C[C@@H]1CN1C(=O)OCc2ccccc2 Amb23401484 [0,0,0,1,0,1|2,0,0]=4 497 B15R2.543 O=C1CC(CCCC1)c2c[n]cc[n]2 Amb25840169 [0,0,0,1,0,1|2,0,0]=4 498 B15R2.543 O=C1CC(CCCC1)c2ccccc2 Amb22059558 [0,0,0,1,0,1|2,0,0]=4 499 B15R2.543 O=C1CCCCC(N1)c2cccc[n]2 Amb23569073 [0,0,0,1,0,1|2,0,0]=4 500 B15R2.543 O=C1CCCCC(N1)c2ccccc2 Amb25050480 [0,0,0,1,0,1|2,0,0]=4 501 B15R2.546 O=C1CCCCc2ccccc2CN1 Amb24594306 [0,0,0,1,0,1|2,0,0]=4 502 B15R2.24490 O=C(OCc1ccccc1)C2CCN2 Amb25765750 [0,0,0,1,0,1|2,0,0]=4 503 B15R2.24490 O=C(OCc1ccccc1)C2CNC2 Amb22642168 [0,0,0,1,0,1|2,0,0]=4 504 B15R2.24494 O=C(CC1CC1)NCc2ccccc2 Amb25715762 [0,0,0,1,0,1|2,0,0]=4 505 B15R2.24494 O=C(NC1CC1)OCc2ccccc2 Amb25103364 [0,0,0,1,0,1|2,0,0]=4 506 B15R2.562 N=C1CCCCN1CCc2ccco2 Amb19050664 [0,0,0,1,0,1|2,0,0]=4 507 B15R2.562 NC1CCCCC1OCc2ccco2 Amb25833932 [0,0,0,1,0,1|1,0,1]=4 508 B15R2.562 O=C1NCCCC1NCc2ccco2 Amb18985740 [0,0,0,1,0,1|2,0,0]=4 509 B15R2.562 O=C1NCCCN1CCc2ccco2 Amb24730515 [0,0,0,1,0,1|2,0,0]=4 510 B15R2.7273 O=C1CCCCC(Cc2ccc[s]2)N1 Amb25185734 [0,0,0,1,0,1|1,1,0]=4 511 B15R2.7344 OC1CCC(=O)N1CCc2ccco2 Amb25065483 [0,0,0,1,0,1|2,0,0]=4 512 B15R2.11738 CCCN1C(NCC1=O)c2ccco2 Amb25768288 [0,0,0,1,0,1|2,0,0]=4 513 B15R2.69949 O=C(NC1CC1)CSCc2ccco2 Amb2258244 [0,0,0,1,0,1|1,1,0]=4 514 B15R2.163937 O=C(C1CCC1)NCCc2cccs2 Amb10667502 [0,0,0,1,0,1|1,1,0]=4 515 B15R2.343 O=C1CCCCCC1Cc2ccc[s]2 Amb25701942 [0,1,0,1,0,0|1,1,0]=4 516 B15R2.343 O=C1CCCCCC1Cc2ccco2 Amb19041638 [0,1,0,1,0,0|1,0,0]=3 517 B15R2.343 O=C1CNCCCN1Cc2ccco2 Amb25697582 [0,1,0,1,0,0|1,0,0]=3 518 B15R2.343 O=C1NCCCCC1Cc2ccco2 Amb24543616 [0,1,0,1,0,0|1,0,0]=3 519 B15R2.1117 CC1CCSC(NCc2ccco2)=N1 Amb25203995 [0,1,0,1,0,0|2,0,0]=4 520 B15R2.2238 CCC1CN=C(NCc2ccco2)S1 Amb24499575 [0,1,0,1,0,0|1,1,0]=4 521 B15R2.3989 O=C(CCc1ccc[s]1)C2CCCN2 Amb18568950 [0,1,0,1,0,0|1,1,0]=4 522 B15R2.3989 O=C(N1CCCC1)NCc2cccs2 Amb11256198 [0,1,0,1,0,0|1,1,0]=4 523 B15R2.3989 O=C(NCc1c[n]co1)C2CCCN2 Amb24450005 [0,1,0,1,0,0|2,0,0]=4 524 B15R2.3989 O=C(NCc1cc[n]o1)[C@@H]2CCCN2 Amb24725777 [0,1,0,1,0,0|2,0,0]=4 525 B15R2.3989 O=C(NCc1ccc[nH]1)C2CCCN2 Amb24594408 [0,1,0,1,0,0|2,0,0]=4 526 B15R2.3989 O=C(NCc1ccc[s]1)C2CCCN2 Amb24770100 [0,1,0,1,0,0|1,1,0]=4 527 B15R2.3989 O=C(NCc1ccc[s]1)C2CNCC2 Amb19001570 [0,1,0,1,0,0|1,1,0]=4 528 B15R2.3989 O=C(NCc1ccc[s]1)[C@H]2CNCC2 Amb24677490 [0,1,0,1,0,0|1,1,0]=4 529 B15R2.3989 O=C(NCc1ccco1)C2CNCC2 Amb18302725 [0,1,0,1,0,0|1,0,0]=3 530 B15R2.3989 O=C(NCc1ccco1)C2CSCN2 Amb24769926 [0,1,0,1,0,0|2,0,0]=4 531 B15R2.4334 CCC1CNC(=O)OC1c2ccco2 Amb24409630 [0,1,0,1,0,0|0,0,0]=2 532 B15R2.4334 CCN1CCC(=O)CC1c2ccco2 Amb25700035 [0,1,0,1,0,0|1,0,0]=3 533 B15R2.4334 CC[C@@H]1CNC(=O)O[C@H]1c2ccco2 Amb24547054 [0,1,0,1,0,0|0,0,0]=2 534 B15R2.8972 CC1(CCNCC1)OCc2ccco2 Amb24458078 [0,1,0,1,0,0|1,0,1]=4 535 B15R2.8972 CC1(CNCCC1)OCc2ccco2 Amb24721798 [0,1,0,1,0,0|1,0,1]=4 536 B15R2.24499 O=C(CCc1ccco1)NCC2CC2 Amb13995513 [0,1,0,1,0,0|1,0,0]=3 537 B15R2.24499 O=C(CCc1cccs1)NCC2CC2 Amb10708465 [0,1,0,1,0,0|1,1,0]=4 538 B15R2.24499 O=C(NCc1ccco1)NCC2CC2 Amb13998147 [0,1,0,1,0,0|1,0,0]=3 539 B15R2.24499 O=C(NCc1cccs1)NCC2CC2 Amb13998031 [0,1,0,1,0,0|1,1,0]=4 540 B15R2.95187 O=C(NC1CCC1)NCc2cc[n]o2 Amb25063509 [0,1,0,1,0,0|2,0,0]=4 541 B15R2.95187 O=C(NCc1ccc[s]1)NC2CCC2 Amb25145266 [0,1,0,1,0,0|1,1,0]=4 542 B15R2.64 CC(NC=1CCCCN1)c2ccco2 Amb24433057 [0,1,0,1,0,0|2,0,0]=4 543 B15R2.64 C[C@@H](NC=1CCCCN1)c2ccco2 Amb25724806 [0,1,0,1,0,0|2,0,0]=4 544 B15R2.64 C[C@H](NC=1CCCCN1)c2ccco2 Amb25115107 [0,1,0,1,0,0|2,0,0]=4 545 B15R2.64 NC(CC=1CCCCC1)c2ccco2 Amb25378323 [0,1,0,1,0,0|2,0,0]=4 546 B15R2.64 OC(CC=1CCCCC1)c2ccco2 Amb25259103 [0,1,0,1,0,0|2,0,0]=4 547 B15R2.358 CC(c1ccco1)N2CCCCC2=N Amb19050663 [0,1,0,1,0,0|2,0,0]=4 548 B15R2.358 CC(c1ccco1)N2CCCNC2=O Amb25126610 [0,1,0,1,0,0|2,0,0]=4 549 B15R2.358 N\C(\c1ccco1)=C/2\CCCCC2=O Amb25327755 [0,1,0,1,0,0|1,0,1]=4 550 B15R2.358 O=C1CCCCC1C(=O)c2ccco2 Amb19073802 [0,1,0,1,0,0|1,0,1]=4 551 B15R2.358 OC(C1=CCCCC1=O)c2ccco2 Amb25813861 [0,1,0,1,0,0|1,0,1]=4 552 B15R2.358 O[C@@H]([C@@H]1CCCCC1=O)c2ccco2 Amb25212295 [0,1,0,1,0,0|1,0,0]=3 553 B15R2.358 O[C@@H]([C@H]1CCCCC1=O)c2ccco2 Amb25284328 [0,1,0,1,0,0|1,0,0]=3 554 B15R2.1273 CCCC1N=C(NC1=O)c2ccco2 Amb25085637 [0,1,0,1,0,0|1,0,1]=4 555 B15R2.1273 ClCCN1CC(OC1=O)c2ccco2 Amb17242154 [0,1,0,1,0,0|2,0,0]=4 556 B15R2.1273 NCCN1CC(OC1=O)c2ccco2 Amb17236359 [0,1,0,1,0,0|2,0,0]=4 557 B15R2.6857 C[C@@H](NC(=O)C1CNC1)c2ccco2 Amb25363001 [0,1,0,1,0,0|2,0,0]=4 558 B15R2.6857 C[C@H](NC(=O)C1CCN1)c2ccco2 Amb24603218 [0,1,0,1,0,0|2,0,0]=4 559 B15R2.6857 C[C@H](NC(=O)C1CNC1)c2ccco2 Amb25700685 [0,1,0,1,0,0|2,0,0]=4 560 B15R2.6857 O=C(C1CCC1)NC(c2ccco2)C Amb13966455 [0,1,0,1,0,0|1,0,0]=3 561 B15R2.16434 O=C(CC(c1ccco1)N)NC2CC2 Amb17235921 [0,1,0,1,0,0|2,0,0]=4 562 B15R2.83718 CCC1NC(=O)CC1(C)c2ccco2 Amb25317880 [0,1,0,1,0,0|2,0,0]=4 563 B15R2.290 NC1CCC(=O)NC1c2ccc(Br)o2 Amb24410613 [0,1,0,1,0,0|2,0,0]=4 564 B15R2.305 Cc1ccc(CN2CCCCC2=N)o1 Amb18330337 [0,1,0,1,0,0|2,0,0]=4 565 B15R2.305 Cc1ccc(CN2CCNCC2=O)o1 Amb25754489 [0,1,0,1,0,0|2,0,0]=4 566 B15R2.305 O=C1CCCCC1Cc2ccc(Br)[s]2 Amb24350943 [0,1,0,1,0,0|1,1,0]=4 567 B15R2.305 O=C1CCCCC1Cc2ccc(Cl)[s]2 Amb24654492 [0,1,0,1,0,0|1,1,0]=4 568 B15R2.305 O=C1CCCCN1Cc2cc(Br)[n]o2 Amb25709330 [0,1,0,1,0,0|2,0,0]=4 569 B15R2.305 O=C1CCCCN1Cc2cc(Br)c[s]2 Amb24680648 [0,1,0,1,0,0|1,1,0]=4 570 B15R2.305 O=C1CCCCN1Cc2ccc(Br)o2 Amb24523172 [0,1,0,1,0,0|1,0,0]=3 571 B15R2.305 O=C1NCCCN1Cc2ccc(Br)o2 Amb25286289 [0,1,0,1,0,0|2,0,0]=4 572 B15R2.2255 Cc1ccc(o1)C2CC(=O)NC2CC Amb24553211 [0,1,0,1,0,0|2,0,0]=4 573 B15R2.6920 CC1CC1C(=O)NCc2cc(cs2)Br Amb11398830 [0,1,0,1,0,0|1,1,0]=4 574 B15R2.6945 CC1CCC(=O)N1Cc2cc(Br)[n]o2 Amb25786953 [0,1,0,1,0,0|2,0,0]=4 575 B15R2.6945 CC1CCC(=O)N1Cc2ccc(Br)[s]2 Amb24644550 [0,1,0,1,0,0|1,1,0]=4 576 B15R2.6948 O=C(NC1CC1)NCc2ccc(Br)o2 Amb25272514 [0,1,0,1,0,0|2,0,0]=4 577 B15R2.41332 O=C(C1CCC1)NCc2scc(c2)Br Amb11398787 [0,1,0,1,0,0|1,1,0]=4 578 B15R2.41332 O=C(NCc1ccc(Br)o1)C2CNC2 Amb25358739 [0,1,0,1,0,0|2,0,0]=4 579 B15R2.2725 CC1C(C(CC)NC1=O)c2ccco2 Amb24562530 [0,1,0,1,0,0|2,0,0]=4 580 B15R2.4706 CNC1CN(Cc2ccco2)C(=O)C1 Amb25722171 [0,1,0,1,0,0|2,0,0]=4 581 B15R2.4706 NCC1CC(=O)N(C1)Cc2ccco2 Amb17077361 [0,1,0,1,0,0|2,0,0]=4 582 B15R2.15647 NC1CCC(=O)N(C1c2ccco2)C Amb17517607 [0,1,0,1,0,0|2,0,0]=4 583 B15R2.70096 CN(Cc1ccc[s]1)C(=O)C2CCC2 Amb19419370 [0,1,0,1,0,0|1,1,0]=4 584 B15R2.1154 NC1CCN(Cc2ccco2)C(=O)C1 Amb25671861 [0,1,0,1,0,0|1,0,0]=3 585 B15R2.1154 O=C1CC(=O)N(Cc2ccco2)CC1 Amb23400306 [0,1,0,1,0,0|1,0,1]=4 586 B15R2.8450 C[C@H]1C[C@@H](O)[C@@H](C)[C@H](O1)c2ccco2 Amb25205099 [0,1,0,1,0,0|1,0,1]=4 587 B15R2.8450 C[C@H]1C[C@H](O)[C@@H](C)[C@H](O1)c2ccco2 Amb24575616 [0,1,0,1,0,0|1,0,1]=4 588 B15R2.1109 CC1NCCN(Cc2ccco2)C1=O Amb22009266 [0,1,0,1,0,0|2,0,0]=4 589 B15R2.1109 N[C@H]1CCCN(Cc2ccc[s]2)C1=O Amb24585721 [0,1,0,1,0,0|1,1,0]=4 590 B15R2.24497 O=C(C(C1CC1)C)NCc2ccco2 Amb16951701 [0,1,0,1,0,0|1,0,0]=3 591 B15R2.95176 CC1(CNC1)C(=O)NCc2ccco2 Amb25230979 [0,1,0,1,0,0|2,0,0]=4 592 B15R2.55 Cc1ccoc1CNC=2CCCCN2 Amb24468077 [0,1,0,1,0,0|2,0,0]=4 593 B15R2.359 Cc1ccoc1CN2CCCCC2=N Amb24531071 [0,1,0,1,0,0|2,0,0]=4 594 B15R2.359 O=C1CCCCC1Cc2[s]ccc2Cl Amb25107085 [0,1,0,1,0,0|1,1,0]=4 595 B15R2.390 Cc1ccoc1C2NC(=O)CCC2N Amb25285061 [0,1,0,1,0,0|2,0,0]=4 596 B15R2.7644 CC1CC1C(=O)NCc2sccc2Br Amb15563149 [0,1,0,1,0,0|1,1,0]=4 597 B15R2.8487 Cc1ccoc1CNC(=O)NC2CC2 Amb25122554 [0,1,0,1,0,0|2,0,0]=4 598 B15R2.44125 Cc1cc[s]c1CNC(=O)C2CCC2 Amb21788135 [0,1,0,1,0,0|1,1,0]=4 599 B15R2.44125 Cc1ccoc1CNC(=O)C2CCN2 Amb24609043 [0,1,0,1,0,0|2,0,0]=4 600 B15R2.44125 O=C(C1CCC1)NCc2sccc2Br Amb15563129 [0,1,0,1,0,0|1,1,0]=4 601 B15R2.100 NC1CCC(CC1)OCc2ccco2 Amb19000637 [0,1,0,1,0,0|1,0,1]=4 602 B15R2.123 O=CC1CCCCN1Cc2ccco2 Amb19061738 [0,1,0,1,0,0|1,0,1]=4 603 B15R2.123 O\N=C/1\CCCCC1Cc2ccco2 Amb24758201 [0,1,0,1,0,0|1,0,1]=4 604 B15R2.328 CC(C)[C@@H]1NC(=O)O[C@H]1c2ccco2 Amb24513010 [0,1,0,1,0,0|1,0,0]=3 605 B15R2.328 OC(=O)C1CC(=O)OC1c2ccco2 Amb23537891 [0,1,0,1,0,0|1,0,1]=4 606 B15R2.1026 CN(C)CC1C(NC1=O)c2ccco2 Amb25040048 [0,1,0,1,0,0|2,0,0]=4 607 B15R2.8883 O=S1(=O)CCCCN1Cc2ccco2 Amb17404429 [0,1,0,1,0,0|2,0,0]=4 608 B15R3.909 O=C1CC2CCc3[s]ccc3C2O1 Amb24445090 [0,0,0,2,0,0|2,0,0]=4 609 B11R1.30 C=CCC(=O)Cc1ccco1 Amb24750555 [1,0,0,0,1,0|0,0,2]=4 610 B11R1.30 CCCC(=O)C[n]1ccc[n]1 Amb18799411 [1,0,0,0,1,0|2,0,0]=4 611 B11R1.30 CCCC(=O)Cc1c[n]c[s]1 Amb25379880 [1,0,0,0,1,0|1,1,0]=4 612 B11R1.30 CCCC(=O)Cc1cc[s]c1 Amb18180161 [1,0,0,0,1,0|2,0,0]=4 613 B11R1.30 CCCC(=O)Cc1ccc[s]1 Amb18180163 [1,0,0,0,1,0|0,1,0]=3 614 B11R1.30 CCCC(=O)Cc1ccco1 Amb10608081 [1,0,0,0,1,0|0,0,0]=2 615 B11R1.30 CCCC(=O)Oc1[nH]cc[n]1 Amb25385922 [1,0,0,0,1,0|2,0,0]=4 616 B11R1.30 CCCC(N)Cc1ccco1 Amb18200980 [1,0,0,0,1,0|1,0,1]=4 617 B11R1.30 CCNC(=O)Cc1ccc[nH]1 Amb24397803 [1,0,0,0,1,0|2,0,0]=4 618 B11R1.30 CCOC(=O)Cc1cc[n]o1 Amb25382988 [1,0,0,0,1,0|2,0,0]=4 619 B11R1.30 CCOC(=O)Cc1ccc[nH]1 Amb17938824 [1,0,0,0,1,0|2,0,0]=4 620 B11R1.30 CCOC(=O)Nc1ccco1 Amb24744539 [1,0,0,0,1,0|2,0,0]=4 621 B11R1.30 CCOC(=O)Oc1ccco1 Amb25383238 [1,0,0,0,1,0|1,0,0]=3 622 B11R1.30 COCC(=O)Cc1ccc[s]1 Amb18801755 [1,0,0,0,1,0|1,1,0]=4 623 B11R1.30 CONC(=O)Cc1ccco1 Amb25806373 [1,0,0,0,1,0|2,0,0]=4 624 B11R1.30 CSCC(=O)Cc1ccc[s]1 Amb19070221 [1,0,0,0,1,0|1,1,0]=4 625 B11R1.30 CSCC(=O)Cc1ccco1 Amb25383644 [1,0,0,0,1,0|1,0,0]=3 626 B11R1.30 O=C(Cc1ccc[s]1)CCCl Amb25384844 [1,0,0,0,1,0|1,1,0]=4 627 B11R1.29 BrCCCC(=O)c1ccco1 Amb10562218 [0,0,0,0,2,0|1,0,0]=3 628 B11R1.29 BrCCCC(=O)c1cccs1 Amb17250552 [0,0,0,0,2,0|1,1,0]=4 629 B11R1.29 CCCCC(=O)[n]1cccc1 Amb25383159 [0,0,0,0,2,0|2,0,0]=4 630 B11R1.29 CCCCC(=O)c1c[nH]c[n]1 Amb24764743 [0,0,0,0,2,0|2,0,0]=4 631 B11R1.29 CCCCC(=O)c1cc[n][nH]1 Amb24766643 [0,0,0,0,2,0|2,0,0]=4 632 B11R1.29 CCCCC(=O)c1cc[n][s]1 Amb24764332 [0,0,0,0,2,0|1,1,0]=4 633 B11R1.29 CCCCC(=O)c1cc[s][n]1 Amb25379988 [0,0,0,0,2,0|2,0,0]=4 634 B11R1.29 CCCCC(=O)c1ccc[nH]1 Amb25380459 [0,0,0,0,2,0|1,0,0]=3 635 B11R1.29 CCCCC(=O)c1ccco1 Amb10070291 [0,0,0,0,2,0|0,0,0]=2 636 B11R1.29 CCCCC(=O)c1cocc1 Amb10562664 [0,0,0,0,2,0|2,0,0]=4 637 B11R1.29 CCCCC(=O)c1cscc1 Amb10562660 [0,0,0,0,2,0|2,0,0]=4 638 B11R1.29 CCCCC(N)c1ccco1 Amb18796711 [0,0,0,0,2,0|1,0,1]=4 639 B11R1.29 CCCCC(O)c1ccco1 Amb17939071 [0,0,0,0,2,0|0,0,2]=4 640 B11R1.29 CCCCS(=O)c1ccc[s]1 Amb25382491 [0,0,0,0,2,0|1,1,0]=4 641 B11R1.29 CCCNC(=N)c1ccco1 Amb24477668 [0,0,0,0,2,0|2,0,0]=4 642 B11R1.29 CCCNC(=O)c1c[n]co1 Amb22963681 [0,0,0,0,2,0|2,0,0]=4 643 B11R1.29 CCCNC(=O)c1ccc[nH]1 Amb24378766 [0,0,0,0,2,0|2,0,0]=4 644 B11R1.29 CCCOC(=O)c1ccc[nH]1 Amb23512510 [0,0,0,0,2,0|2,0,0]=4 645 B11R1.29 CCNCC(=O)c1ccc[nH]1 Amb24755211 [0,0,0,0,2,0|2,0,0]=4 646 B11R1.29 CCNCC(=O)c1cccs1 Amb17314790 [0,0,0,0,2,0|1,1,0]=4 647 B11R1.29 CCOCC(=O)c1ccc[nH]1 Amb25386145 [0,0,0,0,2,0|2,0,0]=4 648 B11R1.29 CCONC(=O)c1ccco1 Amb10572673 [0,0,0,0,2,0|2,0,0]=4 649 B11R1.29 CC\C=C\C(=O)c1ccco1 Amb25149501 [0,0,0,0,2,0|0,0,2]=4 650 B11R1.29 CNCCC(=O)c1ccc[s]1 Amb22235115 [0,0,0,0,2,0|1,1,0]=4 651 B11R1.29 CNCCC(=O)c1ccco1 Amb25382971 [0,0,0,0,2,0|1,0,0]=3 652 B11R1.29 CNCCC(=O)c1cccs1 Amb17334774 [0,0,0,0,2,0|1,1,0]=4 653 B11R1.29 COCCC(=O)c1ccco1 Amb18181848 [0,0,0,0,2,0|1,0,0]=3 654 B11R1.29 COCCC(=O)c1cccs1 Amb17201826 [0,0,0,0,2,0|1,1,0]=4 655 B11R1.29 COCOC(=O)c1ccco1 Amb24751029 [0,0,0,0,2,0|2,0,0]=4 656 B11R1.29 CSCCC(=O)c1ccc[s]1 Amb25379577 [0,0,0,0,2,0|1,1,0]=4 657 B11R1.29 CSCCC(=O)c1ccco1 Amb25379567 [0,0,0,0,2,0|1,0,0]=3 658 B11R1.29 ClCCCC(=O)c1ccco1 Amb17138699 [0,0,0,0,2,0|1,0,0]=3 659 B11R1.29 ClCCCC(=O)c1cccs1 Amb1159154 [0,0,0,0,2,0|1,1,0]=4 660 B11R1.29 ClCCNC(=O)c1ccco1 Amb17103197 [0,0,0,0,2,0|2,0,0]=4 661 B11R1.29 ClCCOC(=O)c1ccco1 Amb17939073 [0,0,0,0,2,0|2,0,0]=4 662 B11R1.29 NCCCC(=O)c1ccc[s]1 Amb18623716 [0,0,0,0,2,0|1,1,0]=4 663 B11R1.29 NCCCC(=O)c1ccco1 Amb18120247 [0,0,0,0,2,0|1,0,0]=3 664 B11R1.29 NCCNC(=O)c1ccco1 Amb1869482 [0,0,0,0,2,0|2,0,0]=4 665 B11R1.29 O=C(CCC=O)c1ccco1 Amb18125354 [0,0,0,0,2,0|1,0,1]=4 666 B11R1.29 O=C(CCCCl)c1ccc[nH]1 Amb24764863 [0,0,0,0,2,0|2,0,0]=4 667 B11R1.29 O=C(NCCF)c1ccco1 Amb25150620 [0,0,0,0,2,0|2,0,0]=4 668 B11R1.29 O=C(NCCI)c1ccco1 Amb24432553 [0,0,0,0,2,0|2,0,0]=4 669 B11R1.29 OCCCC(=O)C=1CC=CC1 Amb25382995 [0,0,0,0,2,0|2,0,0]=4 670 B11R1.29 OCCCC(=O)c1ccco1 Amb24766213 [0,0,0,0,2,0|1,0,0]=3 671 B11R1.29 OCCCC(=O)c1cccs1 Amb1110142 [0,0,0,0,2,0|1,1,0]=4 672 B11R1.285 CCCCC(=O)OC[C@H]1CO1 Amb16230892 [0,0,0,0,2,0|0,0,2]=4 673 B15R1.157 CCCCC(=O)NCCc1cccc[n]1 Amb20839682 [0,0,0,0,0,2|2,0,0]=4 674 B15R1.157 CCCCC(=O)NOCc1ccccc1 Amb10572671 [0,0,0,0,0,2|1,0,0]=3 675 B15R1.157 CCCNC(=O)NOCc1ccccc1 Amb22462392 [0,0,0,0,0,2|2,0,0]=4 676 B15R1.157 CCNCC(=O)NOCc1ccccc1 Amb24423686 [0,0,0,0,0,2|2,0,0]=4 677 B15R1.157 CCOCC(=O)NOCc1ccccc1 Amb21387974 [0,0,0,0,0,2|2,0,0]=4 678 B15R1.157 COCCC(=O)NOCc1ccccc1 Amb24724155 [0,0,0,0,0,2|2,0,0]=4 679 B15R1.157 NCCCC(=O)NOCc1ccccc1 Amb24364961 [0,0,0,0,0,2|2,0,0]=4 680 B15R1.157 O=C(CCCCl)OCCc1ccccc1 Amb19960343 [0,0,0,0,0,2|2,0,0]=4 681 B15R1.157 OCCCC(=O)NOCc1ccccc1 Amb25729282 [0,0,0,0,0,2|2,0,0]=4 682 B15R1.1220 CCCNC(=O)NCCCc1ccco1 Amb23111485 [0,0,0,0,0,2|2,0,0]=4