0 B14R1.540 CC(C)CNC(CC)c1ccccc1 Amb19373691 [0,0,0,0,0,0|2,0,2]=4 1 B14R1.540 CC(C)C\C=C(/C=O)\c1ccccc1 Amb22338757 [0,0,0,0,0,0|0,0,0]=0 2 B14R1.540 CC(CNC(c1ccccc1)C#N)C Amb17043549 [0,0,0,0,0,0|2,0,2]=4 3 B14R1.540 CC(Cl)CN\C(=N\O)\c1ccccc1 Amb24666768 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.540 CN(C)CC\C(=N/O)\c1ccccc1 Amb20619436 [0,0,0,0,0,0|2,0,2]=4 5 B14R1.540 NC(=O)N\C=C(/C=O)\c1ccccc1 Amb25268974 [0,0,0,0,0,0|3,0,1]=4 6 B13R1.26 CCCC\C(=C/[Pr])\c1ccccc1 Amb10559340 [1,0,0,0,0,0|1,0,1]=3 7 B13R1.26 CCCN\C(=N\N)\c1ccccc1 Amb18178436 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.26 CCN\C=C(\C#N)/c1ccccc1 Amb25179139 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.26 N#CS\C=C(\C=O)/c1ccccc1 Amb24612085 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.26 N#C\C(=C\CCO)\c1ccccc1 Amb24577379 [1,0,0,0,0,0|2,0,1]=4 11 B13R1.45 CC(=C)CNC(=O)c1ccccc1 Amb24534621 [1,0,0,0,0,0|1,0,2]=4 12 B13R1.45 CC(=CCC(C)=O)c1ccccc1 Amb24090254 [1,0,0,0,0,0|1,0,2]=4 13 B13R1.45 CC(=O)COC(=O)c1ccccc1 Amb22497327 [1,0,0,0,0,0|2,0,1]=4 14 B13R1.45 CC(=O)\C=C\C(=O)c1ccccc1 Amb25094370 [1,0,0,0,0,0|1,0,2]=4 15 B13R1.45 CC(Br)CNC(=O)c1cc[n]cc1 Amb25058830 [1,0,0,0,0,0|3,0,0]=4 16 B13R1.45 CC(C)=CNC(=O)c1ccccc1 Amb24104488 [1,0,0,0,0,0|1,0,2]=4 17 B13R1.45 CC(C)=NOC(=O)c1ccccc1 Amb22733229 [1,0,0,0,0,0|2,0,1]=4 18 B13R1.45 CC(C)C#CC(=O)c1ccccc1 Amb25720623 [1,0,0,0,0,0|0,0,2]=3 19 B13R1.45 CC(C)CCC(=O)c1c[n]c[n]c1 Amb18186214 [1,0,0,0,0,0|2,0,1]=4 20 B13R1.45 CC(C)CCC(=O)c1cc[n]cc1 Amb18804652 [1,0,0,0,0,0|1,0,1]=3 21 B13R1.45 CC(C)CNC(=N)c1cc[n]cc1 Amb25099676 [1,0,0,0,0,0|3,0,0]=4 22 B13R1.45 CC(C)CNC(=N)c1ccccc1 Amb23447122 [1,0,0,0,0,0|2,0,0]=3 23 B13R1.45 CC(C)CNC(=O)c1cc[n][n]c1 Amb24416905 [1,0,0,0,0,0|3,0,0]=4 24 B13R1.45 CC(C)CNC(=O)c1ccncc1 Amb17861681 [1,0,0,0,0,0|2,0,0]=3 25 B13R1.45 CC(C)CNC(=S)c1cccc[n]1 Amb22831282 [1,0,0,0,0,0|2,1,0]=4 26 B13R1.45 CC(C)C\N=C(/N)\c1c[n]ccc1 Amb21970340 [1,0,0,0,0,0|3,0,0]=4 27 B13R1.45 CC(C)NNC(=O)c1cc[n]cc1 Amb22728324 [1,0,0,0,0,0|3,0,0]=4 28 B13R1.45 CC(C)N\N=C(\N)/c1ccccc1 Amb25288890 [1,0,0,0,0,0|3,0,0]=4 29 B13R1.45 CC(C)ONC(=O)c1ccc[n]c1 Amb25371489 [1,0,0,0,0,0|3,0,0]=4 30 B13R1.45 CC(C)ONC(=O)c1cccc[n]1 Amb25143290 [1,0,0,0,0,0|3,0,0]=4 31 B13R1.45 CC(C)ONC(=O)c1ccccc1 Amb25279041 [1,0,0,0,0,0|2,0,0]=3 32 B13R1.45 CC(C)O\N=C(/N)\c1ccccc1 Amb18862929 [1,0,0,0,0,0|3,0,0]=4 33 B13R1.45 CC(C)\C=C\C(=O)c1cccc[n]1 Amb24689573 [1,0,0,0,0,0|1,0,1]=3 34 B13R1.45 CC(C)\C=C\C(=O)c1ccccc1 Amb24559391 [1,0,0,0,0,0|0,0,1]=2 35 B13R1.45 CC(C)\C=C\[C@@H](O)c1ccccc1 Amb25687935 [1,0,0,0,0,0|0,0,3]=4 36 B13R1.45 CC(C)\N=C\C(=O)c1ccccc1 Amb24434587 [1,0,0,0,0,0|1,0,0]=2 37 B13R1.45 CC(CCC(=O)c1ccccc1)Cl Amb16231581 [1,0,0,0,0,0|1,0,1]=3 38 B13R1.45 CC(CCC(=O)c1cccnc1)C Amb17233267 [1,0,0,0,0,0|1,0,1]=3 39 B13R1.45 CC(CNC(=O)c1ccccc1)O Amb10788464 [1,0,0,0,0,0|2,0,0]=3 40 B13R1.45 CC(CNC(=S)c1ccccc1)C Amb10553418 [1,0,0,0,0,0|1,1,0]=3 41 B13R1.45 CC(COC(=O)c1ccncc1)C Amb17509537 [1,0,0,0,0,0|2,0,0]=3 42 B13R1.45 CC(Cl)C#CC(=O)c1ccccc1 Amb25846415 [1,0,0,0,0,0|1,0,2]=4 43 B13R1.45 CC(Cl)CNC(=O)c1ccc[n]c1 Amb24685389 [1,0,0,0,0,0|3,0,0]=4 44 B13R1.45 CC(F)C#CC(=O)c1ccccc1 Amb24364142 [1,0,0,0,0,0|1,0,2]=4 45 B13R1.45 CC(N)CNC(=O)c1cc[n]cc1 Amb18112243 [1,0,0,0,0,0|3,0,0]=4 46 B13R1.45 CC(N)CNC(=O)c1ccc[n]c1 Amb18111152 [1,0,0,0,0,0|3,0,0]=4 47 B13R1.45 CC(N)CNC(=O)c1ccccc1 Amb18110135 [1,0,0,0,0,0|2,0,0]=3 48 B13R1.45 CC(O)CNC(=O)c1ccc[n]c1 Amb20624855 [1,0,0,0,0,0|3,0,0]=4 49 B13R1.45 CC(O)\C=C/C(=O)c1ccccc1 Amb25190052 [1,0,0,0,0,0|1,0,1]=3 50 B13R1.45 CC(O)\C=C\C(=O)c1ccccc1 Amb24378448 [1,0,0,0,0,0|1,0,1]=3 51 B13R1.45 CN(C)C#CC(=O)c1ccccc1 Amb25714385 [1,0,0,0,0,0|1,0,2]=4 52 B13R1.45 CN(C)C=CC(=O)c1ccc[n]c1 Amb24078719 [1,0,0,0,0,0|2,0,1]=4 53 B13R1.45 CN(C)CCC(=O)c1cc[n]cc1 Amb24119350 [1,0,0,0,0,0|2,0,1]=4 54 B13R1.45 CN(C)CCC(=O)c1cccc[n]1 Amb24119362 [1,0,0,0,0,0|2,0,1]=4 55 B13R1.45 CN(C)CNC(=O)c1cc[n]cc1 Amb25242982 [1,0,0,0,0,0|3,0,0]=4 56 B13R1.45 CN(C)CNC(=O)c1cccc[n]1 Amb25300432 [1,0,0,0,0,0|3,0,0]=4 57 B13R1.45 CN(C)CNC(=S)c1ccccc1 Amb24489129 [1,0,0,0,0,0|2,1,0]=4 58 B13R1.45 CN(C)\C=C/C(=O)c1cc[n]cc1 Amb25128902 [1,0,0,0,0,0|2,0,1]=4 59 B13R1.45 CN(C)\C=C\C(=S)c1ccccc1 Amb22477795 [1,0,0,0,0,0|1,1,1]=4 60 B13R1.45 CN(C)\N=C\C(=O)c1ccccc1 Amb24572835 [1,0,0,0,0,0|2,0,0]=3 61 B13R1.45 CN(CCC(=C)c1ccccc1)C Amb10976100 [1,0,0,0,0,0|1,0,1]=3 62 B13R1.45 CN(CCC(=O)c1ccccc1)C Amb1106335 [1,0,0,0,0,0|1,0,1]=3 63 B13R1.45 CN(CCC(=O)c1ccccc1)C Amb1197569 [1,0,0,0,0,0|1,0,1]=3 64 B13R1.45 CN(CNC(=O)c1ccccc1)C Amb10565604 [1,0,0,0,0,0|2,0,0]=3 65 B13R1.45 CN(O)CCC(=O)c1ccccc1 Amb22228994 [1,0,0,0,0,0|2,0,1]=4 66 B13R1.45 CN(\C=C\C(=O)c1ccccc1)C Amb2384234 [1,0,0,0,0,0|1,0,1]=3 67 B13R1.45 CN(\C=C\C(=O)c1ccccn1)C Amb2427049 [1,0,0,0,0,0|2,0,1]=4 68 B13R1.45 CN(\C=C\C(=O)c1cccnc1)C Amb2424323 [1,0,0,0,0,0|2,0,1]=4 69 B13R1.45 CN(\C=C\C(=O)c1ccncc1)C Amb2440188 [1,0,0,0,0,0|2,0,1]=4 70 B13R1.45 CN(\C=N/C(=O)c1ccccc1)C Amb10553970 [1,0,0,0,0,0|2,0,1]=4 71 B13R1.45 CN(\C=N\C(=O)c1ccccc1)C Amb16231122 [1,0,0,0,0,0|2,0,1]=4 72 B13R1.45 C[C@@H](O)CNC(=O)c1cc[n]cc1 Amb24491052 [1,0,0,0,0,0|3,0,0]=4 73 B13R1.45 C[C@H](O)CNC(=O)c1cccc[n]1 Amb25133456 [1,0,0,0,0,0|3,0,0]=4 74 B13R1.45 C\C(=C\CC(C)=O)\c1ccccc1 Amb24392921 [1,0,0,0,0,0|1,0,2]=4 75 B13R1.45 C\C(=N\CC(C)O)\c1ccccc1 Amb25180193 [1,0,0,0,0,0|2,0,1]=4 76 B13R1.45 O=C(NCC(Cl)Cl)c1ccccc1 Amb25137001 [1,0,0,0,0,0|3,0,0]=4 77 B13R1.45 O=C(c1ccccc1)CC[NH+](C)C Amb2430219 [1,0,0,0,0,0|1,0,1]=3 78 B13R1.45 O=C(c1ccccc1)NN=C(C)C Amb1652225 [1,0,0,0,0,0|2,0,1]=4 79 B15R1.1299 CO\N=C(/c1ccccc1)\NCC(C)C Amb10574299 [0,1,0,0,0,0|2,0,1]=4 80 B15R1.1350 CC(NC(=O)\C(=N/O)\c1ccccc1)C Amb1951206 [0,1,0,0,0,0|2,0,1]=4 81 B15R1.12293 CC(CNC(c1ccccc1)C(=O)N)C Amb10196714 [0,1,0,0,0,0|1,0,1]=3 82 B15R1.12293 CC(C\N=C(\c1ccccc1)/N(O)C)C Amb10574510 [0,1,0,0,0,0|2,0,1]=4 83 B15R1.12293 OC(=O)\C(=C\CC(O)=O)\c1ccccc1 Amb22441874 [0,1,0,0,0,0|2,0,1]=4 84 B15R2.6 CC(Br)CCc1c[nH]c2ccccc12 Amb24606346 [0,0,0,1,0,0|2,0,1]=4 85 B15R2.6 CC(Br)CCc1c[s]c2ccccc12 Amb24643156 [0,0,0,1,0,0|1,1,1]=4 86 B15R2.6 CC(Br)\C=C\c1c[s]c2ccccc12 Amb25750581 [0,0,0,1,0,0|1,1,1]=4 87 B15R2.6 CC(Br)\C=C\c1coc2ccccc12 Amb25789867 [0,0,0,1,0,0|1,0,2]=4 88 B15R2.6 CC(C)CC[n]1ccc2ccccc12 Amb24715006 [0,0,0,1,0,0|2,0,1]=4 89 B15R2.6 CC(C)CNc1[n][s]c2ccccc21 Amb24347307 [0,0,0,1,0,0|2,1,0]=4 90 B15R2.6 CC(C)CNc1c[s]c2ccccc21 Amb25802445 [0,0,0,1,0,0|1,1,0]=3 91 B15R2.6 CC(C)CSc1c[nH]c2ccccc12 Amb24336677 [0,0,0,1,0,0|2,0,0]=3 92 B15R2.6 CC(C)NCc1c[s]c2ccccc21 Amb19649474 [0,0,0,1,0,0|1,1,1]=4 93 B15R2.6 CC(C)NCc1coc2ccccc21 Amb19649833 [0,0,0,1,0,0|1,0,2]=4 94 B15R2.6 CC(CCc1c[nH]c2c1cccc2)N Amb17063475 [0,0,0,1,0,0|2,0,1]=4 95 B15R2.6 CC(Cl)CCc1c[s]c2ccccc12 Amb25704446 [0,0,0,1,0,0|1,1,1]=4 96 B15R2.6 CC(Cl)CCc1coc2ccccc12 Amb25305562 [0,0,0,1,0,0|1,0,2]=4 97 B15R2.6 CC(Cl)\C=C\c1c[nH]c2ccccc12 Amb24750018 [0,0,0,1,0,0|2,0,1]=4 98 B15R2.6 CC(Cl)\C=C\c1coc2ccccc12 Amb25111766 [0,0,0,1,0,0|1,0,2]=4 99 B15R2.6 CC(N)CCc1coc2ccccc12 Amb25278343 [0,0,0,1,0,0|1,0,2]=4 100 B15R2.6 CC(N)COc1c[nH]c2ccccc12 Amb25347350 [0,0,0,1,0,0|3,0,0]=4 101 B15R2.6 CC(N)CSc1c[nH]c2ccccc12 Amb18655600 [0,0,0,1,0,0|3,0,0]=4 102 B15R2.6 CC(N)\C=C\c1c[s]c2ccccc12 Amb24507173 [0,0,0,1,0,0|1,1,1]=4 103 B15R2.6 CC(NCc1c[nH]c2c1cccc2)C Amb16497863 [0,0,0,1,0,0|2,0,1]=4 104 B15R2.6 CC(O)CCc1c[nH]c2ccccc12 Amb23443879 [0,0,0,1,0,0|2,0,1]=4 105 B15R2.6 CC(O)CCc1c[s]c2ccccc12 Amb24401820 [0,0,0,1,0,0|1,1,1]=4 106 B15R2.6 CC(O)CCc1coc2ccccc12 Amb25209469 [0,0,0,1,0,0|1,0,2]=4 107 B15R2.6 CC(O)\C=C\c1c[nH]c2ccccc12 Amb25732585 [0,0,0,1,0,0|2,0,1]=4 108 B15R2.6 CC(O)\C=C\c1c[s]c2ccccc12 Amb25335920 [0,0,0,1,0,0|1,1,1]=4 109 B15R2.6 CC(S)CCc1c[nH]c2ccccc12 Amb25166149 [0,0,0,1,0,0|2,0,1]=4 110 B15R2.6 CN(C)CCc1coc2ccccc12 Amb25099058 [0,0,0,1,0,0|1,0,2]=4 111 B15R2.6 CN(C)\C=C\c1c[nH]c2ccccc12 Amb24427611 [0,0,0,1,0,0|2,0,1]=4 112 B15R2.6 CN(C)\N=C\c1c[nH]c2ccccc12 Amb25804677 [0,0,0,1,0,0|3,0,0]=4 113 B15R2.59 CC(C)[C@H]1CNC(=N1)c2ccccc2 Amb24390850 [0,0,0,1,0,0|3,0,0]=4 114 B15R2.59 CC(C)[n]1cc(c[n]1)-c2ccccc2 Amb19070136 [0,0,0,1,0,0|2,0,0]=3 115 B15R2.59 CC(C)[n]1ccc([n]1)-c2ccccc2 Amb25101314 [0,0,0,1,0,0|3,0,0]=4 116 B15R2.59 CC(C)c1[nH]c(c[n]1)-c2ccccc2 Amb24559227 [0,0,0,1,0,0|2,0,1]=4 117 B15R2.59 CC(C)c1[n]cc([s]1)-c2ccccc2 Amb25710001 [0,0,0,1,0,0|2,0,1]=4 118 B15R2.59 CC(C)c1ccc(o1)-c2ccccc2 Amb22749609 [0,0,0,1,0,0|2,0,1]=4 119 B15R2.59 CC(C1ON=C(N1)c2ccccc2)C Amb10587229 [0,0,0,1,0,0|2,0,1]=4 120 B15R2.59 CC(N)c1cc(c[s]1)-c2ccccc2 Amb25301861 [0,0,0,1,0,0|1,1,1]=4 121 B15R2.59 C[C@H](N)c1cc(c[s]1)-c2ccccc2 Amb25085559 [0,0,0,1,0,0|1,1,1]=4 122 B15R2.389 CC1CNC(C(=O)N1)c2ccccc2 Amb25814685 [0,0,0,1,0,0|2,0,1]=4 123 B15R2.389 CC1CNC(C(=O)O1)c2ccccc2 Amb25068933 [0,0,0,1,0,0|2,0,1]=4 124 B15R2.389 CN1CC=C(C(O)C1)c2ccccc2 Amb24064811 [0,0,0,1,0,0|1,0,2]=4 125 B15R2.389 CN1CCN(C(=O)C1)c2ccccc2 Amb25700109 [0,0,0,1,0,0|2,0,1]=4 126 B15R2.389 OC1CCN(C(=O)C1)c2ccccc2 Amb25045761 [0,0,0,1,0,0|2,0,1]=4 127 B15R2.548 OC1COC(=CCC1)c2ccccc2 Amb25734364 [0,0,0,1,0,0|3,0,0]=4 128 B15R2.5167 CC1CC(CC1)(C=O)c2ccccc2 Amb25326182 [0,0,0,1,0,0|0,0,2]=3 129 B15R2.7383 CC1(C)NCN(C1=O)c2ccccc2 Amb25048404 [0,0,0,1,0,0|2,0,1]=4 130 B15R2.39201 CC(C)[n]1cc(C#N)c2ccccc12 Amb23441451 [0,0,0,1,0,0|2,0,1]=4 131 B15R2.39201 CC(C)[n]1cc(C=O)c2c[n]c[n]c12 Amb24347387 [0,0,0,1,0,0|3,0,0]=4 132 B15R2.39201 CC(C)[n]1cc(C=O)c2ccc[n]c12 Amb19661613 [0,0,0,1,0,0|2,0,0]=3 133 B15R2.39201 CC(C)[n]1cc(CN)c2ccccc12 Amb23441453 [0,0,0,1,0,0|2,0,1]=4 134 B15R2.39201 O=Cc1c[n](C(F)F)c2ccccc21 Amb25319383 [0,0,0,1,0,0|3,0,0]=4 135 B15R2.39201 O=Cc1cn(c2c1cccc2)C(=O)C Amb1981177 [0,0,0,1,0,0|2,0,1]=4 136 B15R2.39201 O=Cc1nc(n2c1cccc2)C(C)C Amb17052774 [0,0,0,1,0,0|2,0,1]=4 137 B15R2.89224 CC1(C)CC\C(=N\N)\c2ccccc12 Amb25727353 [0,0,0,1,0,0|2,0,1]=4 138 B15R2.89224 CC1(C)CC\C(=N\O)\c2ccccc12 Amb25164756 [0,0,0,1,0,0|1,0,2]=4 139 B15R2.89224 CC1(C)CN=C(CCl)c2ccccc12 Amb25313215 [0,0,0,1,0,0|2,0,1]=4 140 B15R2.89224 N#CC1=CCC(c2c1cccc2)(C)C Amb17234020 [0,0,0,1,0,0|1,0,1]=3 141 B13R1.713 BrCC(c1ccccc1)CC(C)C Amb17255495 [0,0,0,0,1,0|1,0,2]=4 142 B13R1.713 CC(=O)\C=C(\C=C)/c1ccccc1 Amb25179606 [0,0,0,0,1,0|2,0,1]=4 143 B13R1.713 CC(=O)\C=C(\C=O)/c1ccccc1 Amb24610113 [0,0,0,0,1,0|1,0,1]=3 144 B13R1.713 CC(C)CN(C#N)c1ccccc1 Amb24450113 [0,0,0,0,1,0|2,0,1]=4 145 B13R1.713 CC(C)C\C(=N\N)\c1cccc[n]1 Amb25333231 [0,0,0,0,1,0|3,0,0]=4 146 B13R1.713 CC(C)C\C(=N\O)\c1cccc[n]1 Amb24387346 [0,0,0,0,1,0|2,0,1]=4 147 B13R1.713 CC(C)C\C(=N\O)\c1ccccc1 Amb25055997 [0,0,0,0,1,0|1,0,1]=3 148 B13R1.713 CC(C)N\C(=N\N)\c1ccccc1 Amb18178437 [0,0,0,0,1,0|3,0,0]=4 149 B13R1.713 CC(C)\C=C(/C=O)\c1ccccc1 Amb21618696 [0,0,0,0,1,0|0,0,0]=1 150 B13R1.713 CC(C)\C=C(/CO)\c1ccccc1 Amb25113870 [0,0,0,0,1,0|0,0,2]=3 151 B13R1.713 CC(C)\C=C(\CO)/c1ccccc1 Amb25216807 [0,0,0,0,1,0|0,0,2]=3 152 B13R1.713 CC(O)\C=C(\C#C)/c1ccccc1 Amb24431905 [0,0,0,0,1,0|2,0,1]=4 153 B13R1.713 CC(\C=C(\c1ccccc1)/C#N)C Amb17232821 [0,0,0,0,1,0|1,0,1]=3 154 B13R1.713 CCN(c1ccccc1)CC(C)C Amb17233317 [0,0,0,0,1,0|2,0,1]=4 155 B13R1.713 CN(C)\C=C(/C#N)\c1ccccc1 Amb18540688 [0,0,0,0,1,0|2,0,1]=4 156 B13R1.713 CN(C)\C=C(/C=O)\c1cc[n]c[n]1 Amb25835174 [0,0,0,0,1,0|3,0,0]=4 157 B13R1.713 CN(C)\C=C(\C=O)/c1c[n]cc[n]1 Amb25259283 [0,0,0,0,1,0|3,0,0]=4 158 B13R1.713 CN(C)\C=C(\C=O)/c1cc[n]c[n]1 Amb25261358 [0,0,0,0,1,0|3,0,0]=4 159 B13R1.713 CN(C)\C=C(\C=O)/c1ccc[n]c1 Amb24550072 [0,0,0,0,1,0|2,0,0]=3 160 B13R1.713 CN(C)\C=C(\C=O)/c1cccc[n]1 Amb25294309 [0,0,0,0,1,0|2,0,0]=3 161 B13R1.713 CN(C)\C=C(\C=O)/c1ccccc1 Amb24712659 [0,0,0,0,1,0|1,0,0]=2 162 B13R1.713 CN(C)\N=C(/C=O)\c1ccccc1 Amb18127767 [0,0,0,0,1,0|2,0,0]=3 163 B13R1.713 CN(\C=C(/c1ccccc1)\C#N)C Amb2414238 [0,0,0,0,1,0|2,0,1]=4 164 B13R1.713 C\N=C(\NC(C)C)/c1ccccc1 Amb25805222 [0,0,0,0,1,0|3,0,0]=4 165 B13R1.713 ClCC(c1ccccc1)CC(C)C Amb17236522 [0,0,0,0,1,0|1,0,2]=4 166 B13R1.713 O=C\C(=C/N(C)C)\c1ccccc1 Amb17335056 [0,0,0,0,1,0|1,0,0]=2 167 B13R1.713 O=C\C(=C\C(F)F)\c1ccccc1 Amb24676774 [0,0,0,0,1,0|2,0,0]=3 168 B13R1.713 OCC(c1ccccc1)CC(C)C Amb17233456 [0,0,0,0,1,0|0,0,3]=4 169 B13R1.713 ONC(c1ccccc1)CC(C)C Amb10605005 [0,0,0,0,1,0|1,0,2]=4 170 B15R1.4008 CC(C)CS\C(=N\c1ccccc1)\S[Na] Amb22443640 [0,0,0,0,0,1|3,0,0]=4 171 B15R1.4008 CN(C)CCN(Cc1ccccc1)C=O Amb25720775 [0,0,0,0,0,1|2,0,1]=4 172 B12R1.3 C=C\C(=C\CO)\c1ccccc1 Amb24619165 [2,0,0,0,0,0|2,0,0]=4 173 B12R1.3 C=C\C=C(\C=O)/c1ccccc1 Amb25768466 [2,0,0,0,0,0|0,0,2]=4 174 B12R1.3 CCCC(=[N+]=[N-])c1ccccc1 Amb24095317 [2,0,0,0,0,0|2,0,0]=4 175 B12R1.3 CCCC(c1ccccc1)C=O Amb17594046 [2,0,0,0,0,0|0,0,1]=3 176 B12R1.3 CCCN(c1ccccn1)C=O Amb10553724 [2,0,0,0,0,0|2,0,0]=4 177 B12R1.3 CC\C=C(/c1ccccc1)\C=O Amb10807890 [2,0,0,0,0,0|0,0,0]=2 178 B12R1.3 CC\C=C(\CO)/c1ccccc1 Amb24397985 [2,0,0,0,0,0|0,0,2]=4 179 B12R1.3 CC\C=C(\c1ccccc1)/C#N Amb17232217 [2,0,0,0,0,0|1,0,1]=4 180 B12R1.3 CN\C=C(/C=S)\c1ccccc1 Amb24637960 [2,0,0,0,0,0|1,1,0]=4 181 B12R1.3 CN\C=C(\C=S)/c1ccccc1 Amb24642034 [2,0,0,0,0,0|1,1,0]=4 182 B12R1.3 CO\C=C(/C=O)\c1ccccc1 Amb18126326 [2,0,0,0,0,0|1,0,0]=3 183 B12R1.3 CO\C=C(\C=O)/c1ccccc1 Amb24497332 [2,0,0,0,0,0|1,0,0]=3 184 B12R1.3 CO\N=C(\c1ccccc1)/C=O Amb10572536 [2,0,0,0,0,0|2,0,0]=4 185 B12R1.3 CS\C=C(/C=O)\c1ccccc1 Amb18648149 [2,0,0,0,0,0|1,0,0]=3 186 B12R1.3 CS\C=C(\C=O)/c1ccccc1 Amb24605059 [2,0,0,0,0,0|1,0,0]=3 187 B12R1.3 C\C=C(\CCN)/c1ccccc1 Amb25349495 [2,0,0,0,0,0|2,0,0]=4 188 B12R1.3 C\C=C(\CCO)/c1ccccc1 Amb25256435 [2,0,0,0,0,0|2,0,0]=4 189 B12R1.3 C\C=C\C(C=O)c1ccccc1 Amb24628954 [2,0,0,0,0,0|0,0,2]=4 190 B12R1.3 O=C\C(=C\CCl)\c1ccccc1 Amb25139392 [2,0,0,0,0,0|1,0,0]=3 191 B12R1.3 ON/C=C(\C=O)c1ccccc1 Amb17777667 [2,0,0,0,0,0|2,0,0]=4 192 B12R1.30 BrCCCC(=O)c1ccccc1 Amb17247624 [2,0,0,0,0,0|1,0,1]=4 193 B12R1.30 BrCC\C=C(\c1ccccc1)/C Amb17246875 [2,0,0,0,0,0|1,0,1]=4 194 B12R1.30 CCC/N=C(\C)c1ccccc1 Amb17779516 [2,0,0,0,0,0|1,0,1]=4 195 B12R1.30 CCCCC(=O)c1cccnc1 Amb10607964 [2,0,0,0,0,0|1,0,1]=4 196 B12R1.30 CCCCC(=O)c1ccncc1 Amb10573758 [2,0,0,0,0,0|1,0,1]=4 197 B12R1.30 CCCNC(=N)c1ccccc1 Amb23447119 [2,0,0,0,0,0|2,0,0]=4 198 B12R1.30 CCCNC(=S)c1ccccc1 Amb25827093 [2,0,0,0,0,0|1,1,0]=4 199 B12R1.30 CCCOC(=O)c1cccnc1 Amb1958081 [2,0,0,0,0,0|2,0,0]=4 200 B12R1.30 CCC\C=C(\N)/c1ccc[n]c1 Amb25059174 [2,0,0,0,0,0|2,0,0]=4 201 B12R1.30 CCC\C=C(\N)/c1cccc[n]1 Amb25765706 [2,0,0,0,0,0|2,0,0]=4 202 B12R1.30 CCC\N=C(\Cl)/c1ccccc1 Amb25142394 [2,0,0,0,0,0|2,0,0]=4 203 B12R1.30 CCONC(=O)c1ccccc1 Amb10572541 [2,0,0,0,0,0|2,0,0]=4 204 B12R1.30 CC\C=C/C(=O)c1ccccc1 Amb24722785 [2,0,0,0,0,0|0,0,1]=3 205 B12R1.30 CC\C=C\C(=O)c1ccccc1 Amb24532703 [2,0,0,0,0,0|0,0,1]=3 206 B12R1.30 CN=C=CC(=O)c1ccccc1 Amb24497080 [2,0,0,0,0,0|1,0,1]=4 207 B12R1.30 CNCCC(=O)c1ccccc1 Amb11032366 [2,0,0,0,0,0|1,0,1]=4 208 B12R1.30 CN\C=C/C(=O)c1ccccc1 Amb2386631 [2,0,0,0,0,0|1,0,1]=4 209 B12R1.30 CN\N=C\C(=O)c1ccccc1 Amb25202730 [2,0,0,0,0,0|2,0,0]=4 210 B12R1.30 COCCC(=O)c1ccccc1 Amb10602329 [2,0,0,0,0,0|1,0,1]=4 211 B12R1.30 CO\C=C/C(=O)c1ccccc1 Amb24523909 [2,0,0,0,0,0|1,0,1]=4 212 B12R1.30 CO\C=C\C(=O)c1ccccc1 Amb24370151 [2,0,0,0,0,0|1,0,1]=4 213 B12R1.30 CO\N=C\C(=O)c1ccccc1 Amb24512562 [2,0,0,0,0,0|2,0,0]=4 214 B12R1.30 C\C(=C/CNC)\c1ccccc1 Amb23555664 [2,0,0,0,0,0|1,0,1]=4 215 B12R1.30 C\C(=C\CCCl)\c1ccccc1 Amb24394711 [2,0,0,0,0,0|1,0,1]=4 216 B12R1.30 ClCCCC(=O)c1ccccc1 Amb1229841 [2,0,0,0,0,0|1,0,1]=4 217 B12R1.30 ClCCNC(=O)c1ccccc1 Amb2414312 [2,0,0,0,0,0|2,0,0]=4 218 B12R1.30 ClCC\C=C(\c1ccccc1)/C Amb17233775 [2,0,0,0,0,0|1,0,1]=4 219 B12R1.30 ICCOC(=O)c1ccccc1 Amb16233230 [2,0,0,0,0,0|2,0,0]=4 220 B12R1.30 NCCCC(=O)c1ccccc1 Amb18623671 [2,0,0,0,0,0|1,0,1]=4 221 B12R1.30 NCCOC(=O)c1ccccc1 Amb10807731 [2,0,0,0,0,0|2,0,0]=4 222 B12R1.30 NCCSC(=O)c1ccccc1 Amb21618899 [2,0,0,0,0,0|2,0,0]=4 223 B12R1.30 NCC\C=C(\c1ccccc1)/C Amb17232384 [2,0,0,0,0,0|1,0,1]=4 224 B12R1.30 O=C(NCCF)c1ccccc1 Amb25139529 [2,0,0,0,0,0|2,0,0]=4 225 B12R1.30 O=C(NCCI)c1ccccc1 Amb22753771 [2,0,0,0,0,0|2,0,0]=4 226 B12R1.30 OCCCC(=O)c1ccccc1 Amb17334609 [2,0,0,0,0,0|1,0,1]=4 227 B12R1.30 OCCOC(=O)c1ccccc1 Amb1110468 [2,0,0,0,0,0|2,0,0]=4 228 B12R1.30 OCC\C=C(\Cl)/c1ccccc1 Amb25204635 [2,0,0,0,0,0|2,0,0]=4 229 B12R1.30 OC\C=C\C(=O)c1ccccc1 Amb24706829 [2,0,0,0,0,0|1,0,1]=4 230 B12R1.252 CC(=O)C\C=C\c1ccccc1 Amb24740083 [2,0,0,0,0,0|1,0,1]=4 231 B12R1.252 CC(C)=C\C=C\c1ccccc1 Amb22347651 [2,0,0,0,0,0|0,0,2]=4 232 B12R1.252 CC(C)CCCc1ccccc1 Amb24063684 [2,0,0,0,0,0|0,0,2]=4 233 B12R1.252 CC(C)CCOc1ccccc1 Amb23450363 [2,0,0,0,0,0|1,0,1]=4 234 B12R1.252 CC(C)CNCc1ccccc1 Amb22586944 [2,0,0,0,0,0|1,0,1]=4 235 B12R1.252 CC(C)\C=C\Nc1ccccc1 Amb25844091 [2,0,0,0,0,0|1,0,1]=4 236 B12R1.252 CC(N)C\C=C\c1c[n]ccc1 Amb24558022 [2,0,0,0,0,0|2,0,0]=4 237 B12R1.252 CC(N)C\C=C\c1cc[n]cc1 Amb24540248 [2,0,0,0,0,0|2,0,0]=4 238 B12R1.252 CC(O)C\C=C\c1c[n]ccc1 Amb25047994 [2,0,0,0,0,0|2,0,0]=4 239 B12R1.252 CC(O)C\C=C\c1ccccc1 Amb24645318 [2,0,0,0,0,0|1,0,0]=3 240 B12R1.252 CN(C)C\C=C\c1ccccc1 Amb24434314 [2,0,0,0,0,0|1,0,0]=3 241 B12R1.252 C[C@@H](O)C\C=C\c1c[n]ccc1 Amb25157958 [2,0,0,0,0,0|2,0,0]=4 242 B12R1.252 C[C@@H](O)C\C=C\c1ccccc1 Amb25846224 [2,0,0,0,0,0|1,0,0]=3 243 B12R1.252 C[C@@H](O)C\N=C\c1ccccc1 Amb25369326 [2,0,0,0,0,0|2,0,0]=4 244 B12R1.252 C[C@H](O)C\C=C\c1ccccc1 Amb25080010 [2,0,0,0,0,0|1,0,0]=3 245 B12R1.252 C[C@H](O)C\N=C\c1ccccc1 Amb24642411 [2,0,0,0,0,0|2,0,0]=4 246 B14R1.178 CC(=O)C(=COCC)c1cc[n]cc1 Amb24066036 [1,1,0,0,0,0|2,0,0]=4 247 B14R1.178 CC(=O)\C(=C\OCC)\c1cc[n]cc1 Amb22740045 [1,1,0,0,0,0|2,0,0]=4 248 B14R1.178 CCCCC(c1ccccc1)C(=O)O Amb13882286 [1,1,0,0,0,0|0,0,2]=4 249 B14R1.604 CCOC(=O)C(c1ccccc1)C=O Amb17595027 [1,1,0,0,0,0|1,0,1]=4 250 B14R1.604 CCOC(=O)\C(=C\O)\c1ccccc1 Amb22492006 [1,1,0,0,0,0|1,0,1]=4 251 B14R1.149 CC(Br)CNC(=O)c1cccc(Cl)c1 Amb24703514 [1,1,0,0,0,0|2,0,0]=4 252 B14R1.149 CC(Br)CNC(=O)c1cccc(F)c1 Amb24499152 [1,1,0,0,0,0|2,0,0]=4 253 B14R1.149 CC(Br)CNC(=O)c1cccc(I)c1 Amb25846557 [1,1,0,0,0,0|2,0,0]=4 254 B14R1.149 CC(Br)CNC(=O)c1cccc(O)c1 Amb25741658 [1,1,0,0,0,0|2,0,0]=4 255 B14R1.149 CC(C)CNC(=N)c1cccc(Cl)c1 Amb24513852 [1,1,0,0,0,0|2,0,0]=4 256 B14R1.149 CC(C)CNC(=N)c1cccc(F)c1 Amb25712487 [1,1,0,0,0,0|2,0,0]=4 257 B14R1.149 CC(C)CNC(=O)C1=CC=CC(=O)N1 Amb25106351 [1,1,0,0,0,0|2,0,0]=4 258 B14R1.149 CC(C)CNC(=O)C=1C=CNC(=O)C1 Amb24448518 [1,1,0,0,0,0|2,0,0]=4 259 B14R1.149 CC(C)CNC(=O)c1cc(N)cc[n]1 Amb18986868 [1,1,0,0,0,0|2,0,0]=4 260 B14R1.149 CC(C)CNC(=O)c1cc[n]c(Br)c1 Amb25700753 [1,1,0,0,0,0|2,0,0]=4 261 B14R1.149 CC(C)CNC(=O)c1cc[n]c(F)c1 Amb19043628 [1,1,0,0,0,0|2,0,0]=4 262 B14R1.149 CC(C)CNC(=O)c1cc[n]c(N)c1 Amb18986870 [1,1,0,0,0,0|2,0,0]=4 263 B14R1.149 CC(C)CNC(=O)c1cccc(Br)[n]1 Amb25119073 [1,1,0,0,0,0|2,0,0]=4 264 B14R1.149 CC(C)CNC(=O)c1cccc(Cl)[n]1 Amb24335744 [1,1,0,0,0,0|2,0,0]=4 265 B14R1.149 CC(C)CNC(=O)c1cccc(N)[n]1 Amb18296083 [1,1,0,0,0,0|2,0,0]=4 266 B14R1.149 CC(C)NCC(=O)c1cccc(Cl)c1 Amb18866292 [1,1,0,0,0,0|1,0,1]=4 267 B14R1.149 CC(C)NCC(=O)c1cccc(F)c1 Amb18864001 [1,1,0,0,0,0|1,0,1]=4 268 B14R1.149 CC(C)NCC(=O)c1cccc(N)c1 Amb18550937 [1,1,0,0,0,0|1,0,1]=4 269 B14R1.149 CC(C)ONC(=O)c1cccc(F)c1 Amb24723818 [1,1,0,0,0,0|2,0,0]=4 270 B14R1.149 CC(CCC(=O)c1cccc(c1)Br)C Amb17264247 [1,1,0,0,0,0|0,0,1]=3 271 B14R1.149 CC(CCC(=O)c1cccc(c1)C)C Amb17234948 [1,1,0,0,0,0|0,0,1]=3 272 B14R1.149 CC(CCC(=O)c1cccc(c1)Cl)C Amb17240762 [1,1,0,0,0,0|0,0,1]=3 273 B14R1.149 CC(CNC(=O)c1cccc(c1)F)O Amb10787329 [1,1,0,0,0,0|2,0,0]=4 274 B14R1.149 CC(CNC(=O)c1cccc(c1)N)C Amb1118281 [1,1,0,0,0,0|1,0,0]=3 275 B14R1.149 CC(CNC(=O)c1cccc(n1)C)C Amb10707932 [1,1,0,0,0,0|2,0,0]=4 276 B14R1.149 CC(COC(=O)c1cccc(c1)C)C Amb17509521 [1,1,0,0,0,0|1,0,0]=3 277 B14R1.149 CC(COC(=O)c1cccc(c1)N)C Amb17307668 [1,1,0,0,0,0|1,0,0]=3 278 B14R1.149 CC(COC(=O)c1cccc(c1)O)C Amb17307714 [1,1,0,0,0,0|1,0,0]=3 279 B14R1.149 CC(Cl)CNC(=O)c1cccc(F)c1 Amb25776689 [1,1,0,0,0,0|2,0,0]=4 280 B14R1.149 CC(N)CNC(=O)c1cccc(Br)c1 Amb18112151 [1,1,0,0,0,0|2,0,0]=4 281 B14R1.149 CC(N)CNC(=O)c1cccc(Cl)c1 Amb18112152 [1,1,0,0,0,0|2,0,0]=4 282 B14R1.149 CC(N)CNC(=O)c1cccc(F)c1 Amb18112030 [1,1,0,0,0,0|2,0,0]=4 283 B14R1.149 CN(C)\C=C\C(=O)c1cccc(O)c1 Amb24518603 [1,1,0,0,0,0|1,0,1]=4 284 B14R1.149 CN(CCC(=O)c1cccc(c1)Br)C Amb1816034 [1,1,0,0,0,0|1,0,1]=4 285 B14R1.149 CN(CCC(=O)c1cccc(c1)N)C Amb17226886 [1,1,0,0,0,0|1,0,1]=4 286 B14R1.149 CN(\C=C/C(=O)c1cccc(c1)C)C Amb1946194 [1,1,0,0,0,0|1,0,1]=4 287 B14R1.149 CN(\C=C\C(=O)c1cccc(c1)Cl)C Amb2424321 [1,1,0,0,0,0|1,0,1]=4 288 B14R1.149 C[C@@H](O)CNC(=O)c1cccc(Cl)c1 Amb25812136 [1,1,0,0,0,0|2,0,0]=4 289 B14R1.149 C[C@@H](O)CNC(=O)c1cccc(I)c1 Amb24583920 [1,1,0,0,0,0|2,0,0]=4 290 B14R1.149 C[C@H](O)CNC(=O)c1cc(O)ccc1 Amb25046657 [1,1,0,0,0,0|2,0,0]=4 291 B14R1.149 C[C@H](O)CNC(=O)c1cccc(Cl)c1 Amb25144746 [1,1,0,0,0,0|2,0,0]=4 292 B14R1.149 Cc1c[n]cc(c1)C(=O)NCC(C)C Amb25664285 [1,1,0,0,0,0|2,0,0]=4 293 B14R1.149 Cc1cc(ccc1)C(=O)CNC(C)C Amb18863635 [1,1,0,0,0,0|1,0,1]=4 294 B14R1.149 Cc1cc(ccc1)C(=O)NCC(C)Cl Amb25688161 [1,1,0,0,0,0|2,0,0]=4 295 B14R1.149 Cc1cc(ccc1)C(=O)NCC(C)N Amb18111995 [1,1,0,0,0,0|2,0,0]=4 296 B14R1.149 Cc1cc(ccc1)C(=O)NC[C@H](C)O Amb25812139 [1,1,0,0,0,0|2,0,0]=4 297 B14R1.149 Cc1cc(ccc1)C(=O)NOC(C)C Amb24378887 [1,1,0,0,0,0|2,0,0]=4 298 B14R1.149 Cc1cc(ccc1)C(=O)\C=C\N(C)C Amb20619054 [1,1,0,0,0,0|1,0,1]=4 299 B14R1.160 CC(Br)CNC(=O)c1ccccc1Cl Amb24353452 [1,1,0,0,0,0|2,0,0]=4 300 B14R1.160 CC(Br)CNC(=O)c1ccccc1F Amb24719936 [1,1,0,0,0,0|2,0,0]=4 301 B14R1.160 CC(Br)CNC(=O)c1ccccc1I Amb24675887 [1,1,0,0,0,0|2,0,0]=4 302 B14R1.160 CC(C)CCC(=O)c1cc[n]cc1Cl Amb24078698 [1,1,0,0,0,0|1,0,1]=4 303 B14R1.160 CC(C)CNC(=N)c1ccccc1Br Amb24663831 [1,1,0,0,0,0|2,0,0]=4 304 B14R1.160 CC(C)CNC(=N)c1ccccc1Cl Amb25712486 [1,1,0,0,0,0|2,0,0]=4 305 B14R1.160 CC(C)CNC(=O)C1=CC=CNC1=S Amb21206141 [1,1,0,0,0,0|2,0,0]=4 306 B14R1.160 CC(C)CNC(=O)c1[n]cccc1Br Amb24685516 [1,1,0,0,0,0|2,0,0]=4 307 B14R1.160 CC(C)CNC(=O)c1[n]cccc1O Amb19051538 [1,1,0,0,0,0|2,0,0]=4 308 B14R1.160 CC(C)CNC(=O)c1cc[n]cc1F Amb25117108 [1,1,0,0,0,0|2,0,0]=4 309 B14R1.160 CC(C)CNC(=O)c1cc[n]cc1N Amb24618068 [1,1,0,0,0,0|2,0,0]=4 310 B14R1.160 CC(C)CNC(=O)c1cc[n]cc1O Amb25769569 [1,1,0,0,0,0|2,0,0]=4 311 B14R1.160 CC(C)CNC(=O)c1ccc[n]c1Br Amb24444547 [1,1,0,0,0,0|2,0,0]=4 312 B14R1.160 CC(C)CNC(=O)c1ccc[n]c1F Amb25289939 [1,1,0,0,0,0|2,0,0]=4 313 B14R1.160 CC(C)CNC(=O)c1ccc[n]c1N Amb18295537 [1,1,0,0,0,0|2,0,0]=4 314 B14R1.160 CC(C)CNC(=S)c1ccccc1N Amb25102573 [1,1,0,0,0,0|1,1,0]=4 315 B14R1.160 CC(C)NCC(=O)c1ccccc1Cl Amb18866291 [1,1,0,0,0,0|1,0,1]=4 316 B14R1.160 CC(C)NCC(=O)c1ccccc1F Amb18864000 [1,1,0,0,0,0|1,0,1]=4 317 B14R1.160 CC(C)NNC(=O)c1ccccc1F Amb25752910 [1,1,0,0,0,0|2,0,0]=4 318 B14R1.160 CC(C)NNC(=O)c1ccccc1O Amb24506217 [1,1,0,0,0,0|2,0,0]=4 319 B14R1.160 CC(C)ONC(=O)c1ccccc1Br Amb25718234 [1,1,0,0,0,0|2,0,0]=4 320 B14R1.160 CC(C)ONC(=O)c1ccccc1Cl Amb24737063 [1,1,0,0,0,0|2,0,0]=4 321 B14R1.160 CC(C)ONC(=O)c1ccccc1F Amb24752923 [1,1,0,0,0,0|2,0,0]=4 322 B14R1.160 CC(C)ONC(=O)c1ccccc1O Amb24723817 [1,1,0,0,0,0|2,0,0]=4 323 B14R1.160 CC(C)\C=C\C(=O)c1ccccc1O Amb18650516 [1,1,0,0,0,0|0,0,1]=3 324 B14R1.160 CC(C)\C=N\C(=O)c1ccccc1O Amb24662428 [1,1,0,0,0,0|1,0,1]=4 325 B14R1.160 CC(CCC(=O)c1ccccc1C)C Amb17234944 [1,1,0,0,0,0|0,0,1]=3 326 B14R1.160 CC(CCC(=O)c1ccccc1Cl)C Amb10562656 [1,1,0,0,0,0|0,0,1]=3 327 B14R1.160 CC(CCC(=O)c1ccccc1F)C Amb17235949 [1,1,0,0,0,0|0,0,1]=3 328 B14R1.160 CC(CNC(=O)c1ccccc1N)C Amb1105963 [1,1,0,0,0,0|1,0,0]=3 329 B14R1.160 CC(Cl)CNC(=O)c1ccccc1Br Amb25693904 [1,1,0,0,0,0|2,0,0]=4 330 B14R1.160 CC(Cl)CNC(=O)c1ccccc1Cl Amb25706200 [1,1,0,0,0,0|2,0,0]=4 331 B14R1.160 CC(Cl)CNC(=O)c1ccccc1I Amb25681821 [1,1,0,0,0,0|2,0,0]=4 332 B14R1.160 CC(N)CNC(=O)c1ccccc1Br Amb18112077 [1,1,0,0,0,0|2,0,0]=4 333 B14R1.160 CC(N)CNC(=O)c1ccccc1Cl Amb18112224 [1,1,0,0,0,0|2,0,0]=4 334 B14R1.160 CC(N)CNC(=O)c1ccccc1F Amb18112028 [1,1,0,0,0,0|2,0,0]=4 335 B14R1.160 CN(C)CCC(=O)c1ccccc1Cl Amb24119356 [1,1,0,0,0,0|1,0,1]=4 336 B14R1.160 CN(C)\C=C\C(=O)c1ccccc1Br Amb25095051 [1,1,0,0,0,0|1,0,1]=4 337 B14R1.160 CN(C)\C=C\C(=O)c1ccccc1Cl Amb19651245 [1,1,0,0,0,0|1,0,1]=4 338 B14R1.160 CN(CCC(=O)c1ccccc1N)C Amb17226887 [1,1,0,0,0,0|1,0,1]=4 339 B14R1.160 CN(CCC(=O)c1ccccc1O)C Amb16207405 [1,1,0,0,0,0|1,0,1]=4 340 B14R1.160 CN(CCC(=O)c1ccccc1O)C Amb17595060 [1,1,0,0,0,0|1,0,1]=4 341 B14R1.160 CN(\C=C\C(=O)c1ccccc1F)C Amb2427777 [1,1,0,0,0,0|1,0,1]=4 342 B14R1.160 CN(\C=C\C(=O)c1ccccc1O)C Amb2405213 [1,1,0,0,0,0|1,0,1]=4 343 B14R1.160 C[C@@H](O)CNC(=O)c1ccccc1F Amb25345519 [1,1,0,0,0,0|2,0,0]=4 344 B14R1.160 C[C@@H](O)CNC(=O)c1ccccc1I Amb24356472 [1,1,0,0,0,0|2,0,0]=4 345 B14R1.160 C[C@@H](O)CNC(=O)c1ccccc1O Amb25058722 [1,1,0,0,0,0|2,0,0]=4 346 B14R1.160 C[C@H](O)CNC(=O)c1ccccc1Cl Amb25691198 [1,1,0,0,0,0|2,0,0]=4 347 B14R1.160 C[C@H](O)CNC(=O)c1ccccc1F Amb25786801 [1,1,0,0,0,0|2,0,0]=4 348 B14R1.160 C[C@H](O)CNC(=O)c1ccccc1I Amb25042155 [1,1,0,0,0,0|2,0,0]=4 349 B14R1.160 C\C(=N/CC(C)C)\c1ccccc1O Amb24506273 [1,1,0,0,0,0|1,0,1]=4 350 B14R1.160 C\C(=N\CC(C)C)\c1ccccc1O Amb24512693 [1,1,0,0,0,0|1,0,1]=4 351 B14R1.160 Cc1c[n]ccc1C(=O)NCC(C)C Amb24409942 [1,1,0,0,0,0|2,0,0]=4 352 B14R1.160 Cc1ccccc1C(=N)NCC(C)C Amb25164781 [1,1,0,0,0,0|2,0,0]=4 353 B14R1.160 Cc1ccccc1C(=O)CNC(C)C Amb18224858 [1,1,0,0,0,0|1,0,1]=4 354 B14R1.160 Cc1ccccc1C(=O)NCC(C)N Amb18111990 [1,1,0,0,0,0|2,0,0]=4 355 B14R1.160 Cc1ccccc1C(=O)NOC(C)C Amb25059532 [1,1,0,0,0,0|2,0,0]=4 356 B14R1.160 Cc1ccccc1C(=O)\C=C\N(C)C Amb24643689 [1,1,0,0,0,0|1,0,1]=4 357 B14R1.163 CC(CNC(=O)c1ccccc1)C#N Amb18327633 [1,1,0,0,0,0|1,0,1]=4 358 B14R1.163 CC(CNC(=O)c1ccccc1)C=C Amb24072038 [1,1,0,0,0,0|1,0,1]=4 359 B14R1.163 CC(CO)COC(=O)c1ccccc1 Amb23437740 [1,1,0,0,0,0|1,0,0]=3 360 B14R1.163 CCC(Br)CCC(=O)c1ccccc1 Amb24079098 [1,1,0,0,0,0|1,0,1]=4 361 B14R1.163 COC(C)CCC(=O)c1ccccc1 Amb22229823 [1,1,0,0,0,0|0,0,1]=3 362 B14R1.163 ClCC(CNC(=O)c1ccccc1)O Amb17595793 [1,1,0,0,0,0|2,0,0]=4 363 B14R1.163 NOC(CNC(=O)c1ccccc1)C Amb17139465 [1,1,0,0,0,0|2,0,0]=4 364 B14R1.163 OC(CCl)COC(=O)c1ccccc1 Amb24064486 [1,1,0,0,0,0|2,0,0]=4 365 B14R1.415 CC(C(C)C)NC(=O)c1ccccc1 Amb10567570 [1,1,0,0,0,0|1,0,0]=3 366 B14R1.415 CC(C)C(=N)NC(=O)c1ccccc1 Amb24753968 [1,1,0,0,0,0|1,0,1]=4 367 B14R1.415 CC(C)C(=O)NC(=O)c1ccccc1 Amb24092603 [1,1,0,0,0,0|1,0,1]=4 368 B14R1.415 CC(C)C(=O)\C=C(\N)/c1ccccc1 Amb24536316 [1,1,0,0,0,0|1,0,1]=4 369 B14R1.415 CC(C)C(C)NC(=O)c1ccc[n]c1 Amb23329704 [1,1,0,0,0,0|2,0,0]=4 370 B14R1.415 CC(C)\C(\N)=C\C(=O)c1ccccc1 Amb24568969 [1,1,0,0,0,0|0,0,1]=3 371 B14R1.415 CC(O)\C(\N)=C\C(=O)c1ccccc1 Amb25087850 [1,1,0,0,0,0|1,0,1]=4 372 B14R1.415 C[C@@H](NC(=O)c1ccccc1)[C@@H](C)Cl Amb24383042 [1,1,0,0,0,0|2,0,0]=4 373 B14R1.415 C[C@@H](NC(=O)c1ccccc1)[C@H](C)O Amb25293782 [1,1,0,0,0,0|2,0,0]=4 374 B14R1.415 C[C@H](NC(=O)c1ccccc1)[C@H](C)Cl Amb25041162 [1,1,0,0,0,0|2,0,0]=4 375 B14R1.415 C\C(=C\[C@@H](O)[C@H](C)O)\c1ccccc1 Amb25748886 [1,1,0,0,0,0|1,0,1]=4 376 B14R1.417 CC(C(=O)c1ccccc1)CN(C)C Amb2228745 [1,1,0,0,0,0|1,0,1]=4 377 B14R1.417 CC(C)CC(N)C(=O)c1c[n]ccc1 Amb18565140 [1,1,0,0,0,0|1,0,1]=4 378 B14R1.417 CC(C)CC(N)C(=O)c1cc[n]cc1 Amb18565146 [1,1,0,0,0,0|1,0,1]=4 379 B14R1.417 CC(C)CC(N)C(=O)c1cccc[n]1 Amb18565134 [1,1,0,0,0,0|1,0,1]=4 380 B14R1.417 CC(NC(=O)C(=O)c1ccccc1)C Amb17336309 [1,1,0,0,0,0|1,0,0]=3 381 B14R1.417 CN(C)CC(Cl)C(=O)c1ccccc1 Amb24104254 [1,1,0,0,0,0|1,0,1]=4 382 B14R1.417 C\C(\NC(C)C)=C(/Cl)\c1ccccc1 Amb24642488 [1,1,0,0,0,0|2,0,0]=4 383 B14R1.417 ClC(C(=O)c1ccccc1)CC(Cl)C Amb16231695 [1,1,0,0,0,0|1,0,1]=4 384 B14R1.417 NC(C(=O)c1ccccc1)CC(C)C Amb17139320 [1,1,0,0,0,0|0,0,1]=3 385 B14R1.678 CC(Br)CNC(=O)c1ccc(Cl)cc1 Amb24352652 [1,1,0,0,0,0|2,0,0]=4 386 B14R1.678 CC(Br)CNC(=O)c1ccc(O)cc1 Amb25823295 [1,1,0,0,0,0|2,0,0]=4 387 B14R1.678 CC(C)CCC(=O)c1ccc(O)cc1 Amb22466898 [1,1,0,0,0,0|0,0,1]=3 388 B14R1.678 CC(C)CNC(=N)c1ccc(Br)cc1 Amb25053205 [1,1,0,0,0,0|2,0,0]=4 389 B14R1.678 CC(C)CNC(=N)c1ccc(Cl)cc1 Amb25037804 [1,1,0,0,0,0|2,0,0]=4 390 B14R1.678 CC(C)CNC(=N)c1ccc(F)cc1 Amb25821738 [1,1,0,0,0,0|2,0,0]=4 391 B14R1.678 CC(C)CNC(=N)c1ccc(O)cc1 Amb24476283 [1,1,0,0,0,0|2,0,0]=4 392 B14R1.678 CC(C)CNC(=O)C1=CNC(=O)C=C1 Amb19079976 [1,1,0,0,0,0|2,0,0]=4 393 B14R1.678 CC(C)CNC(=O)C1=COC(=O)C=C1 Amb21884913 [1,1,0,0,0,0|2,0,0]=4 394 B14R1.678 CC(C)CNC(=O)c1ccc(Br)[n]c1 Amb25268128 [1,1,0,0,0,0|2,0,0]=4 395 B14R1.678 CC(C)CNC(=O)c1ccc(Br)c[n]1 Amb25164835 [1,1,0,0,0,0|2,0,0]=4 396 B14R1.678 CC(C)CNC(=O)c1ccc(Cl)c[n]1 Amb25372294 [1,1,0,0,0,0|2,0,0]=4 397 B14R1.678 CC(C)CNC(=O)c1ccc(F)[n]c1 Amb24453522 [1,1,0,0,0,0|2,0,0]=4 398 B14R1.678 CC(C)CNC(=O)c1ccc(N)[n]c1 Amb18295536 [1,1,0,0,0,0|2,0,0]=4 399 B14R1.678 CC(C)CNS(=O)c1ccc(N)cc1 Amb18866354 [1,1,0,0,0,0|2,0,0]=4 400 B14R1.678 CC(C)NCC(=O)c1ccc(N)cc1 Amb18550892 [1,1,0,0,0,0|1,0,1]=4 401 B14R1.678 CC(C)ONC(=O)c1ccc(F)cc1 Amb25773900 [1,1,0,0,0,0|2,0,0]=4 402 B14R1.678 CC(C)ONC(=O)c1ccc(N)cc1 Amb24424812 [1,1,0,0,0,0|2,0,0]=4 403 B14R1.678 CC(CCC(=O)c1ccc(cc1)N)C Amb17139328 [1,1,0,0,0,0|0,0,1]=3 404 B14R1.678 CC(CNC(=O)c1ccc(cc1)I)C Amb1883594 [1,1,0,0,0,0|1,0,0]=3 405 B14R1.678 CC(CNC(=O)c1ccc(cc1)N)C Amb1112934 [1,1,0,0,0,0|1,0,0]=3 406 B14R1.678 CC(COC(=O)c1ccc(cc1)O)C Amb2111930 [1,1,0,0,0,0|1,0,0]=3 407 B14R1.678 CC(Cl)CNC(=O)c1ccc(F)cc1 Amb25796630 [1,1,0,0,0,0|2,0,0]=4 408 B14R1.678 CC(Cl)CNC(=O)c1ccc(I)cc1 Amb25777516 [1,1,0,0,0,0|2,0,0]=4 409 B14R1.678 CC(N)CNC(=O)c1ccc(Br)cc1 Amb18112182 [1,1,0,0,0,0|2,0,0]=4 410 B14R1.678 CC(N)CNC(=O)c1ccc(Cl)cc1 Amb18112307 [1,1,0,0,0,0|2,0,0]=4 411 B14R1.678 CC(N)CNC(=O)c1ccc(F)cc1 Amb18112038 [1,1,0,0,0,0|2,0,0]=4 412 B14R1.678 CC(N)CNC(=O)c1ccc(N)cc1 Amb24577302 [1,1,0,0,0,0|2,0,0]=4 413 B14R1.678 CC(NCC(=O)c1ccc(cc1)C)C Amb17616222 [1,1,0,0,0,0|1,0,1]=4 414 B14R1.678 CC(NOC(=O)c1ccc(cc1)Cl)C Amb1816547 [1,1,0,0,0,0|2,0,0]=4 415 B14R1.678 CC(O)\C=C\C(=O)c1ccc(F)cc1 Amb25687856 [1,1,0,0,0,0|1,0,1]=4 416 B14R1.678 CC(SCC(=O)c1ccc(cc1)N)C Amb17202005 [1,1,0,0,0,0|1,0,1]=4 417 B14R1.678 CN(C)CCC(=O)c1ccc(I)cc1 Amb22474419 [1,1,0,0,0,0|1,0,1]=4 418 B14R1.678 CN(C)CNC(=O)c1ccc(Cl)cc1 Amb24442055 [1,1,0,0,0,0|2,0,0]=4 419 B14R1.678 CN(C)CNC(=O)c1ccc(F)cc1 Amb25348614 [1,1,0,0,0,0|2,0,0]=4 420 B14R1.678 CN(C)N=CC(=O)c1ccc(Cl)cc1 Amb22482619 [1,1,0,0,0,0|2,0,0]=4 421 B14R1.678 CN(C)\C=C\C(=O)c1ccc(O)cc1 Amb24694401 [1,1,0,0,0,0|1,0,1]=4 422 B14R1.678 CN(CCC(=O)c1ccc(cc1)C)C Amb1007083 [1,1,0,0,0,0|1,0,1]=4 423 B14R1.678 CN(CCC(=O)c1ccc(cc1)N)C Amb17099131 [1,1,0,0,0,0|1,0,1]=4 424 B14R1.678 CN(CCC(=O)c1ccc(cc1)O)C Amb1030889 [1,1,0,0,0,0|1,0,1]=4 425 B14R1.678 CN(\C=C/C(=O)c1ccc(cc1)Br)C Amb1945734 [1,1,0,0,0,0|1,0,1]=4 426 B14R1.678 CN(\C=C/C(=O)c1ccc(cc1)C)C Amb1946247 [1,1,0,0,0,0|1,0,1]=4 427 B14R1.678 CN(\C=C/C(=O)c1ccc(cc1)Cl)C Amb1945547 [1,1,0,0,0,0|1,0,1]=4 428 B14R1.678 CN(\C=C\C(=O)c1ccc(cc1)Br)C Amb2411740 [1,1,0,0,0,0|1,0,1]=4 429 B14R1.678 CN(\C=C\C(=O)c1ccc(cc1)C)C Amb2408463 [1,1,0,0,0,0|1,0,1]=4 430 B14R1.678 CN(\C=C\C(=O)c1ccc(cc1)Cl)C Amb2414150 [1,1,0,0,0,0|1,0,1]=4 431 B14R1.678 CN(\C=C\C(=O)c1ccc(cc1)F)C Amb2405215 [1,1,0,0,0,0|1,0,1]=4 432 B14R1.678 C[C@H](O)CNC(=O)c1ccc(Br)cc1 Amb25225705 [1,1,0,0,0,0|2,0,0]=4 433 B14R1.678 C[C@H](O)CNC(=O)c1ccc(Cl)cc1 Amb25098750 [1,1,0,0,0,0|2,0,0]=4 434 B14R1.678 C[C@H](O)CNC(=O)c1ccc(F)cc1 Amb25779050 [1,1,0,0,0,0|2,0,0]=4 435 B14R1.678 C[C@H](O)CNC(=O)c1ccc(I)cc1 Amb25812053 [1,1,0,0,0,0|2,0,0]=4 436 B14R1.678 C[C@H](O)CNC(=O)c1ccc(N)cc1 Amb25666380 [1,1,0,0,0,0|2,0,0]=4 437 B14R1.678 C[NH+](CCC(=O)c1ccc(cc1)C)C Amb2436496 [1,1,0,0,0,0|1,0,1]=4 438 B14R1.678 Cc1ccc(cc1)C(=N)NCC(C)C Amb25037803 [1,1,0,0,0,0|2,0,0]=4 439 B14R1.678 Cc1ccc(cc1)C(=O)C=NN(C)C Amb22482617 [1,1,0,0,0,0|2,0,0]=4 440 B14R1.678 Cc1ccc(cc1)C(=O)NCC(C)N Amb18112024 [1,1,0,0,0,0|2,0,0]=4 441 B14R1.678 Cc1ccc(cc1)C(=O)NCN(C)C Amb25320234 [1,1,0,0,0,0|2,0,0]=4 442 B14R1.678 Cc1ccc(cc1)C(=O)NC[C@@H](C)O Amb24751317 [1,1,0,0,0,0|2,0,0]=4 443 B14R1.678 O=C(c1ccc(cc1)Cl)CC[NH+](C)C Amb2433153 [1,1,0,0,0,0|1,0,1]=4 444 B14R1.678 O=C(c1ccc(cc1)O)CC[NH+](C)C Amb2443533 [1,1,0,0,0,0|1,0,1]=4 445 B14R1.3098 CC(C)(C)CNC(=N)c1ccccc1 Amb25231352 [1,1,0,0,0,0|2,0,0]=4 446 B14R1.3098 CC(C)(C)CNC(=O)c1ccc[n]c1 Amb25165852 [1,1,0,0,0,0|2,0,0]=4 447 B14R1.3098 CC(C)(C)CNC(=S)c1ccccc1 Amb25183362 [1,1,0,0,0,0|1,1,0]=4 448 B14R1.3098 CC(C)(C)[NH2+]OC(=O)c1ccccc1 Amb22352801 [1,1,0,0,0,0|2,0,0]=4 449 B14R1.3098 CC(C)(Cl)CNC(=O)c1ccccc1 Amb25685988 [1,1,0,0,0,0|1,0,0]=3 450 B14R1.3098 CC(C)(N)CNC(=O)c1ccccc1 Amb25685317 [1,1,0,0,0,0|1,0,0]=3 451 B14R1.3098 CC(C)(O)CNC(=O)c1cc[n]cc1 Amb24365153 [1,1,0,0,0,0|2,0,0]=4 452 B14R1.3098 CC(C)(O)CNC(=O)c1cccc[n]1 Amb18565522 [1,1,0,0,0,0|2,0,0]=4 453 B14R1.3098 CC(C)(S)CNC(=O)c1ccccc1 Amb25825126 [1,1,0,0,0,0|1,0,0]=3 454 B14R1.3098 CP(C)(=O)CNC(=O)c1ccccc1 Amb24402970 [1,1,0,0,0,0|2,0,0]=4 455 B14R1.3098 C[N+](C)(C)CCC(=O)c1ccccc1 Amb22445434 [1,1,0,0,0,0|1,0,1]=4 456 B14R1.3098 C[N+](C)(C)CCC(=O)c1ccccc1 Amb24079921 [1,1,0,0,0,0|1,0,1]=4 457 B14R1.3098 C[Si](C)(C)CNC(=O)c1ccccc1 Amb25817694 [1,1,0,0,0,0|1,1,0]=4 458 B14R1.3098 C[Si](C)(F)CNC(=O)c1ccccc1 Amb25165723 [1,1,0,0,0,0|1,1,0]=4 459 B14R1.3098 C\C(=C\C[Si](C)(C)C)\c1ccccc1 Amb24623677 [1,1,0,0,0,0|0,1,1]=4 460 B14R1.3098 C\C(=C\NC(C)(C)C)\c1ccccc1 Amb24367229 [1,1,0,0,0,0|1,0,1]=4 461 B14R1.515 CC(C)CC(NC=O)c1ccccc1 Amb22500255 [0,1,0,0,1,0|0,0,1]=3 462 B14R1.515 CC(C)C\C(=C\C#N)\c1ccccc1 Amb24344979 [0,1,0,0,1,0|1,0,0]=3 463 B14R1.515 CC(C)N\C(=C\C#N)\c1ccccc1 Amb18649435 [0,1,0,0,1,0|2,0,0]=4 464 B14R1.515 CO\C=C(\NC(C)C)/c1ccccc1 Amb25778202 [0,1,0,0,1,0|1,0,1]=4 465 B14R1.544 CC(C)(C)\C=C(/C=O)\c1ccccc1 Amb25165970 [0,1,0,0,1,0|0,0,0]=2 466 B14R1.544 CC(C)(C)\C=C(\C=O)/c1ccccc1 Amb25785185 [0,1,0,0,1,0|0,0,0]=2 467 B14R1.1019 CC(C)\C=C(\C#N)/c1ccc(Cl)cc1 Amb25241375 [0,1,0,0,1,0|1,0,1]=4 468 B14R1.1019 CC(\C=C(\c1ccc(cc1)Br)/C#N)C Amb17261230 [0,1,0,0,1,0|1,0,1]=4 469 B14R1.1019 CC(\C=C(\c1ccc(cc1)Cl)/C#N)C Amb17238734 [0,1,0,0,1,0|1,0,1]=4 470 B14R1.1019 CC(\C=C(\c1ccc(cc1)F)/C#N)C Amb17234658 [0,1,0,0,1,0|1,0,1]=4 471 B14R1.1019 CN(C)\C=C(\C=O)/c1ccc(Br)cc1 Amb25338445 [0,1,0,0,1,0|1,0,0]=3 472 B14R1.1019 CN(C)\C=C(\C=O)/c1ccc(Cl)cc1 Amb22491241 [0,1,0,0,1,0|1,0,0]=3 473 B14R1.1019 CN(C)\C=C(\C=O)/c1ccc(F)cc1 Amb24741190 [0,1,0,0,1,0|1,0,0]=3 474 B14R1.1019 CN(C)\C=C(\C=O)/c1ccc(O)cc1 Amb24518481 [0,1,0,0,1,0|1,0,0]=3 475 B14R1.1019 N#C\C(=C/C(C)C)\c1ccc(cc1)C Amb17234211 [0,1,0,0,1,0|1,0,1]=4 476 B14R1.1019 O=C\C(=C/N(C)C)\c1ccc(cc1)Br Amb17354636 [0,1,0,0,1,0|1,0,0]=3 477 B14R1.1019 O=C\C(=C/N(C)C)\c1ccc(cc1)F Amb17336583 [0,1,0,0,1,0|1,0,0]=3 478 B14R1.1019 O=C\C(=C\N(C)C)\c1ccc(cc1)C Amb10071957 [0,1,0,0,1,0|1,0,0]=3 479 B14R1.1020 CN(C)\C=C(\C=O)/c1cccc(F)c1 Amb25731881 [0,1,0,0,1,0|1,0,0]=3 480 B14R1.1020 CN(C)\C=C(\C=O)/c1cccc(O)c1 Amb24512890 [0,1,0,0,1,0|1,0,0]=3 481 B14R1.1020 Cc1cc(ccc1)\C(\C=O)=C/N(C)C Amb24640381 [0,1,0,0,1,0|1,0,0]=3 482 B14R1.1020 O=C\C(=C/N(C)C)\c1cccc(c1)Br Amb17354634 [0,1,0,0,1,0|1,0,0]=3 483 B14R1.1020 O=C\C(=C/N(C)C)\c1cccc(c1)C Amb17336120 [0,1,0,0,1,0|1,0,0]=3 484 B14R1.1020 O=C\C(=C/N(C)C)\c1cccc(c1)Cl Amb2428019 [0,1,0,0,1,0|1,0,0]=3 485 B14R1.1027 CC(C)C(O)\C(=C\C)\c1ccccc1 Amb24430987 [0,1,0,0,1,0|1,0,0]=3 486 B14R1.1027 CC(C)[C@@H](O)C(=C=C)c1ccccc1 Amb24705944 [0,1,0,0,1,0|1,0,1]=4 487 B14R1.1027 C\C(=C(/C=O)\c1cc[n]cc1)\N(C)C Amb25166092 [0,1,0,0,1,0|2,0,0]=4 488 B14R1.3642 CC(C)=CC(C)(C=O)c1ccccc1 Amb25166036 [0,1,0,0,1,0|0,0,2]=4 489 B14R1.6455 CC(C)=C=C(C(O)=O)c1ccccc1 Amb24627058 [0,1,0,0,1,0|0,0,2]=4 490 B14R1.6455 CC(C)OC(C(O)=O)c1ccccc1 Amb18324716 [0,1,0,0,1,0|1,0,1]=4 491 B14R1.6455 CC(C)\C=C(/C(O)=O)\c1ccccc1 Amb25689713 [0,1,0,0,1,0|0,0,0]=2 492 B14R1.6455 CC(C)\C=C(/c1ccccc1)\[N+]([O-])=O Amb25753455 [0,1,0,0,1,0|1,0,0]=3 493 B14R1.6455 CC(NC(c1ccccc1)C(=O)N)C Amb17336465 [0,1,0,0,1,0|1,0,1]=4 494 B14R1.6455 CN(C)\C=C(\C(O)=O)/c1ccccc1 Amb25666006 [0,1,0,0,1,0|1,0,0]=3 495 B14R1.6455 CN(CC(c1ccccc1)C(=O)C)C Amb17595000 [0,1,0,0,1,0|1,0,1]=4 496 B14R1.6455 CN(CC(c1ccccc1)C(=O)O)C Amb17235621 [0,1,0,0,1,0|1,0,1]=4 497 B14R1.6455 CN(\C=C(\c1ccccc1)/C(=O)C)C Amb2440196 [0,1,0,0,1,0|1,0,0]=3 498 B14R1.6474 CN(C)\C=C(\C=O)/c1ccccc1Cl Amb24518477 [0,1,0,0,1,0|1,0,0]=3 499 B14R1.6474 O=C\C(=C/N(C)C)\c1ccccc1C Amb17336118 [0,1,0,0,1,0|1,0,0]=3 500 B14R1.6474 O=C\C(=C/N(C)C)\c1ccccc1Cl Amb17339417 [0,1,0,0,1,0|1,0,0]=3 501 B14R1.6474 O=C\C(=C/N(C)C)\c1ccccc1F Amb17336581 [0,1,0,0,1,0|1,0,0]=3 502 B16R1.12306 CC(C)COC(Cc1ccccc1)C(O)=O Amb23320691 [0,1,0,0,0,1|1,0,1]=4 503 B16R1.16564 CC(CNC(c1ccc(cc1)F)C(=O)N)C Amb17343093 [0,2,0,0,0,0|1,0,1]=4 504 B16R1.18212 CC(CNC(c1ccccc1)CC(=O)O)C Amb1067082 [0,2,0,0,0,0|1,0,1]=4 505 B16R1.3942 CC(C)(N)COC(C(O)=O)c1ccccc1 Amb18630826 [0,2,0,0,0,0|1,0,1]=4 506 B16R1.40801 CC(CCC(C)C)(C(O)=O)c1ccccc1 Amb22371665 [0,2,0,0,0,0|0,0,2]=4 507 B14R2.3 CCCNc1c[nH]c2ccccc12 Amb25727240 [1,0,0,1,0,0|2,0,0]=4 508 B14R2.3 CC\C=C/c1c[nH]c2ccccc21 Amb25713938 [1,0,0,1,0,0|1,0,1]=4 509 B14R2.8 CC[n]1cc(c[n]1)-c2ccccc2 Amb18185732 [1,0,0,1,0,0|2,0,0]=4 510 B14R2.24 BrC1CCCC=C1c2ccccc2 Amb24491613 [1,0,0,1,0,0|1,0,1]=4 511 B14R2.24 ClC1CCCC=C1c2ccccc2 Amb24595380 [1,0,0,1,0,0|1,0,1]=4 512 B14R2.24 NC1CCCC=C1c2ccccc2 Amb18127109 [1,0,0,1,0,0|1,0,1]=4 513 B14R2.24 N[C@@H]1CCCC=C1c2ccccc2 Amb25114763 [1,0,0,1,0,0|1,0,1]=4 514 B14R2.24 N[C@H]1CCCC=C1c2ccccc2 Amb24585161 [1,0,0,1,0,0|1,0,1]=4 515 B14R2.24 O=C1CCCC=C1c2c[n]cc[n]2 Amb25069138 [1,0,0,1,0,0|2,0,0]=4 516 B14R2.24 O=C1CCCC=C1c2ccc[n]c2 Amb25753282 [1,0,0,1,0,0|1,0,0]=3 517 B14R2.24 O=C1CCCC=C1c2cccc[n]2 Amb25305313 [1,0,0,1,0,0|1,0,0]=3 518 B14R2.24 O=C1CCCCC1c2ccccc2 Amb1229912 [1,0,0,1,0,0|0,0,2]=4 519 B14R2.24 O=C1CCCCN1c2ccccc2 Amb17233112 [1,0,0,1,0,0|1,0,1]=4 520 B14R2.24 O=C1CCCN=C1c2ccc[n]c2 Amb25059691 [1,0,0,1,0,0|2,0,0]=4 521 B14R2.24 O=C1CCCNC1c2ccccc2 Amb25053874 [1,0,0,1,0,0|1,0,1]=4 522 B14R2.24 O=C1CCCNN1c2ccccc2 Amb24435552 [1,0,0,1,0,0|2,0,0]=4 523 B14R2.24 O=C1CCCN[C@H]1c2ccccc2 Amb24625418 [1,0,0,1,0,0|1,0,1]=4 524 B14R2.24 O=C1CCNN=C1c2ccccc2 Amb25730247 [1,0,0,1,0,0|2,0,0]=4 525 B14R2.24 OC1CCCC=C1c2ccccc2 Amb25320409 [1,0,0,1,0,0|0,0,2]=4 526 B14R2.24 O[C@@H]1CCCC=C1c2ccccc2 Amb25739944 [1,0,0,1,0,0|0,0,2]=4 527 B14R2.39 CCOC=1C(=O)C1c2ccccc2 Amb24492195 [1,0,0,1,0,0|1,0,0]=3 528 B14R2.68 CN1CC=C(C=C1)c2ccccc2 Amb24064817 [1,0,0,1,0,0|2,0,0]=4 529 B14R2.1131 CC1CCN(C=O)c2ccccc21 Amb25736207 [1,0,0,1,0,0|1,0,1]=4 530 B14R2.1253 C1CN=CC(=CN1)c2ccccc2 Amb25199999 [1,0,0,1,0,0|2,0,0]=4 531 B14R2.2014 O=CC1CCCCc2ccccc21 Amb20668008 [1,0,0,1,0,0|0,0,2]=4 532 B14R2.2014 O=CN1CCCCc2ccccc12 Amb22499300 [1,0,0,1,0,0|1,0,1]=4 533 B14R2.2850 O=CC(C1CCC1)c2ccccc2 Amb25839748 [1,0,0,1,0,0|0,0,2]=4 534 B14R2.2850 O=CC(c1ccccc1)=C2CCC2 Amb24383118 [1,0,0,1,0,0|0,0,0]=2 535 B14R2.2850 OCC(c1ccccc1)=C2CCC2 Amb24752231 [1,0,0,1,0,0|0,0,2]=4 536 B14R2.2974 O=CC1(CCCC1)c2ccccc2 Amb17400442 [1,0,0,1,0,0|0,0,2]=4 537 B14R2.4514 C=C1CC=C(C1=O)c2ccccc2 Amb24380803 [1,0,0,1,0,0|0,0,2]=4 538 B14R2.4514 CC1CC=C(C1=O)c2ccccc2 Amb24723984 [1,0,0,1,0,0|0,0,0]=2 539 B14R2.19587 CC[n]1[n]c(C=O)c2ccccc12 Amb23455184 [1,0,0,1,0,0|2,0,0]=4 540 B14R2.19587 CO[n]1cc(C=O)c2ccccc12 Amb18127389 [1,0,0,1,0,0|2,0,0]=4 541 B14R2.19587 O=Cc1c[n](CCl)c2ccccc21 Amb25108688 [1,0,0,1,0,0|2,0,0]=4 542 B14R2.287 CC1CCC(=C)c2ccccc2N1 Amb24461691 [1,0,0,1,0,0|1,0,1]=4 543 B14R2.287 CC1CNC(=O)c2ccccc2N1 Amb25194737 [1,0,0,1,0,0|2,0,0]=4 544 B14R2.287 CC1Cc2ccccc2C(=O)CC1 Amb25735145 [1,0,0,1,0,0|0,0,1]=3 545 B14R2.287 CC1Cc2ccccc2C(=O)CN1 Amb24759218 [1,0,0,1,0,0|1,0,1]=4 546 B14R2.287 CN1Cc2ccccc2C(=O)NC1 Amb25766444 [1,0,0,1,0,0|2,0,0]=4 547 B14R2.287 C[C@@H]1Cc2ccccc2C(=O)NC1 Amb25095741 [1,0,0,1,0,0|1,0,0]=3 548 B14R2.287 O=C1NCC(F)Cc2ccccc21 Amb24378169 [1,0,0,1,0,0|2,0,0]=4 549 B14R2.287 OC1Cc2ccccc2C(=O)NC1 Amb24534423 [1,0,0,1,0,0|2,0,0]=4 550 B14R2.352 CC1CC1NC(=N)c2ccccc2 Amb25093153 [1,0,0,1,0,0|2,0,0]=4 551 B14R2.352 CC1CC1NC(=O)c2ccccc2 Amb25108041 [1,0,0,1,0,0|1,0,0]=3 552 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2c[n]ccc2 Amb25031930 [1,0,0,1,0,0|2,0,0]=4 553 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2cc[n]cc2 Amb25297106 [1,0,0,1,0,0|2,0,0]=4 554 B14R2.352 C[C@@H]1C[C@H]1NC(=O)c2cccc[n]2 Amb25031867 [1,0,0,1,0,0|2,0,0]=4 555 B14R2.352 C[C@@H]1O[C@H]1CC(=O)c2ccccc2 Amb25282837 [1,0,0,1,0,0|1,0,1]=4 556 B14R2.403 CC1(C)C=C(C=N1)c2ccccc2 Amb25191559 [1,0,0,1,0,0|1,0,0]=3 557 B14R2.403 CC1(C)C=CC(=N1)c2ccccc2 Amb25826066 [1,0,0,1,0,0|1,0,1]=4 558 B14R2.403 CC1(C)CNC(=C1)c2ccccc2 Amb25736994 [1,0,0,1,0,0|1,0,0]=3 559 B14R2.403 CC1(C)COC(=[NH+]1)c2ccccc2 Amb22469738 [1,0,0,1,0,0|2,0,0]=4 560 B14R2.422 CC1CC(C1)C(=O)c2ccccc2 Amb23590238 [1,0,0,1,0,0|0,0,1]=3 561 B14R2.422 CC1CN(C1)C(=O)c2cc[n]cc2 Amb24457593 [1,0,0,1,0,0|2,0,0]=4 562 B14R2.422 NC1CN(C1)C(=O)c2ccccc2 Amb21959300 [1,0,0,1,0,0|2,0,0]=4 563 B14R2.422 O=C(C1CC(Cl)C1)c2ccccc2 Amb24426115 [1,0,0,1,0,0|1,0,1]=4 564 B14R2.422 O=C([C@@H]1C[C@@H](Cl)C1)c2ccccc2 Amb24355405 [1,0,0,1,0,0|1,0,1]=4 565 B14R2.422 O=C([C@H]1C[C@@H](Cl)C1)c2ccccc2 Amb24677662 [1,0,0,1,0,0|1,0,1]=4 566 B14R2.422 O=C(c1ccccc1)N2CC(F)C2 Amb24685977 [1,0,0,1,0,0|2,0,0]=4 567 B14R2.422 O=C(c1ccccc1)N2CC(I)C2 Amb24421210 [1,0,0,1,0,0|2,0,0]=4 568 B14R2.792 N=C(NCC1CC1)c2ccccc2 Amb25189784 [1,0,0,1,0,0|2,0,0]=4 569 B14R2.792 O=C(NCC1CO1)c2ccccc2 Amb23557279 [1,0,0,1,0,0|2,0,0]=4 570 B14R2.792 O=C(\C=C\C1CO1)c2ccccc2 Amb24492539 [1,0,0,1,0,0|1,0,1]=4 571 B14R2.792 O=C(\C=C\[C@H]1CO1)c2ccccc2 Amb25202640 [1,0,0,1,0,0|1,0,1]=4 572 B14R2.792 O=C(c1ccccc1)OCC2OC2 Amb10789142 [1,0,0,1,0,0|2,0,0]=4 573 B14R2.15693 CC1(C)CC1C(=O)c2ccc[n]c2 Amb25091428 [1,0,0,1,0,0|1,0,1]=4 574 B14R2.15693 CC1(C)OC1C(=O)c2ccccc2 Amb25093641 [1,0,0,1,0,0|1,0,1]=4 575 B14R2.15693 CC1(C)O[C@@H]1C(=O)c2ccccc2 Amb25282660 [1,0,0,1,0,0|1,0,1]=4 576 B14R2.25733 CC(C)[C@@H]1NC(=O)c2ccccc21 Amb25066912 [1,0,0,1,0,0|1,0,0]=3 577 B14R2.25733 CC(C)[C@H]1CC(=O)c2ccccc21 Amb25735143 [1,0,0,1,0,0|0,0,1]=3 578 B14R2.25733 CC(C)[n]1cc(O)c2ccccc12 Amb25736316 [1,0,0,1,0,0|1,0,1]=4 579 B14R2.25733 CC(C1CC(=O)c2c1cccc2)C Amb17233022 [1,0,0,1,0,0|0,0,1]=3 580 B14R2.25733 CC(Cl)C1CC(=O)c2ccccc21 Amb25241160 [1,0,0,1,0,0|1,0,1]=4 581 B14R2.25733 CN(C)C1=CC(=O)c2ccccc12 Amb24380875 [1,0,0,1,0,0|1,0,1]=4 582 B14R2.25733 CN(C)C1CC(=O)c2ccccc21 Amb24662405 [1,0,0,1,0,0|1,0,1]=4 583 B14R2.25733 CN(C)C1NC(=O)c2ccccc21 Amb25806075 [1,0,0,1,0,0|2,0,0]=4 584 B14R2.25733 C[C@H](O)[C@@H]1OC(=O)c2ccccc21 Amb25346142 [1,0,0,1,0,0|2,0,0]=4 585 B14R2.25733 C[C@H](O)[C@H]1OC(=O)c2ccccc21 Amb25284265 [1,0,0,1,0,0|2,0,0]=4 586 B14R2.29285 CC1(C)CNC(=S)c2ccccc12 Amb25375858 [1,0,0,1,0,0|1,1,0]=4 587 B14R2.29285 CC1(O)C=CC(=O)c2ccccc12 Amb24388645 [1,0,0,1,0,0|1,0,1]=4 588 B14R2.29285 CC1(O)CCC(=O)c2ccccc12 Amb24690829 [1,0,0,1,0,0|1,0,1]=4 589 B14R2.29285 C[Si]1(C)CNC(=O)c2ccccc12 Amb25670257 [1,0,0,1,0,0|1,1,0]=4 590 B14R2.29285 O=C1C=CC(c2c1cccc2)(C)C Amb17594321 [1,0,0,1,0,0|0,0,1]=3 591 B14R2.29285 O=C1NCC(c2c1cccc2)(C)C Amb17400492 [1,0,0,1,0,0|1,0,0]=3 592 B14R2.2 CC(Br)Cc1coc2ccccc21 Amb25255581 [0,0,0,1,1,0|1,0,1]=4 593 B14R2.2 CC(C)C[n]1ccc2ccccc12 Amb19516361 [0,0,0,1,1,0|2,0,0]=4 594 B14R2.2 CC(C)Nc1coc2ccccc21 Amb25158272 [0,0,0,1,1,0|1,0,1]=4 595 B14R2.2 CC(Cc1c[nH]c2c1cccc2)N Amb10789134 [0,0,0,1,1,0|2,0,0]=4 596 B14R2.2 CC(Cc1c[nH]c2c1cccc2)N Amb16234004 [0,0,0,1,1,0|2,0,0]=4 597 B14R2.2 CC(Cc1csc2c1cccc2)N Amb2237287 [0,0,0,1,1,0|1,1,0]=4 598 B14R2.2 CC(Cl)Cc1c[s]c2ccccc21 Amb25369653 [0,0,0,1,1,0|1,1,0]=4 599 B14R2.2 CC(Cn1cnc2c1cccc2)C Amb1104115 [0,0,0,1,1,0|2,0,0]=4 600 B14R2.2 CC(N)Cc1c[nH]c2ccccc21 Amb22734954 [0,0,0,1,1,0|2,0,0]=4 601 B14R2.2 CC(N)Cc1coc2ccccc21 Amb24617524 [0,0,0,1,1,0|1,0,1]=4 602 B14R2.2 CC(O)Cc1c[nH]c2ccccc21 Amb23443844 [0,0,0,1,1,0|2,0,0]=4 603 B14R2.2 CN(C)Cc1c[s]c2ccccc21 Amb22448300 [0,0,0,1,1,0|1,1,0]=4 604 B14R2.2 CN(Cc1c[nH]c2c1cccc2)C Amb1151735 [0,0,0,1,1,0|2,0,0]=4 605 B14R2.2 CN(Cc1c[nH]c2c1cccc2)C Amb15740694 [0,0,0,1,1,0|2,0,0]=4 606 B14R2.2 C[C@@H](N)Cc1c[nH]c2ccccc21 Amb18197539 [0,0,0,1,1,0|2,0,0]=4 607 B14R2.2 C[C@H](O)Cc1c[nH]c2ccccc21 Amb25349672 [0,0,0,1,1,0|2,0,0]=4 608 B14R2.2 C[N+](C)=Cc1c[nH]c2ccccc12 Amb25278236 [0,0,0,1,1,0|2,0,0]=4 609 B14R2.21 CN1CC(=CCC1)c2ccccc2 Amb24677396 [0,0,0,1,1,0|2,0,0]=4 610 B14R2.21 OC1CC(=CCC1)c2ccccc2 Amb24705938 [0,0,0,1,1,0|2,0,0]=4 611 B14R2.598 CC1C=C(C(=O)N1)c2ccccc2 Amb25780097 [0,0,0,1,1,0|1,0,0]=3 612 B14R2.598 CC1CC(C(=O)C1)c2ccccc2 Amb25320163 [0,0,0,1,1,0|0,0,1]=3 613 B14R2.598 CC1CC(C(=O)O1)c2ccccc2 Amb24611777 [0,0,0,1,1,0|1,0,1]=4 614 B14R2.598 CN1CC(=O)C(=N1)c2ccccc2 Amb24691705 [0,0,0,1,1,0|2,0,0]=4 615 B14R2.598 C[C@@H]1CC(=O)[C@@H](O1)c2ccccc2 Amb24583525 [0,0,0,1,1,0|1,0,1]=4 616 B14R2.598 C[C@H]1CC(=O)[C@@H](O1)c2ccccc2 Amb25179569 [0,0,0,1,1,0|1,0,1]=4 617 B14R2.598 NC1CN(C(=O)C1)c2ccccc2 Amb17845256 [0,0,0,1,1,0|2,0,0]=4 618 B14R2.598 O=C1OC(Cl)C=C1c2ccccc2 Amb24651084 [0,0,0,1,1,0|2,0,0]=4 619 B14R2.598 OC1CC(=O)C(=C1)c2ccccc2 Amb24408336 [0,0,0,1,1,0|1,0,0]=3 620 B14R2.780 CC(C)C=1CCC1c2ccccc2 Amb24100481 [0,0,0,1,1,0|1,0,1]=4 621 B14R2.1146 CC1Cc2ccccc2C(=C1)C#N Amb18126621 [0,0,0,1,1,0|1,0,1]=4 622 B14R2.1146 CC1Cc2ccccc2N(C1)C=O Amb25839521 [0,0,0,1,1,0|1,0,0]=3 623 B14R2.1146 CN1Cc2ccccc2C(C=O)=C1 Amb25857384 [0,0,0,1,1,0|1,0,0]=3 624 B14R2.1146 Cc1cc2ccccc2c(C=O)c1 Amb18647392 [0,0,0,1,1,0|0,0,2]=4 625 B14R2.1146 NC1Cc2ccccc2N(C1)C=O Amb24563619 [0,0,0,1,1,0|2,0,0]=4 626 B14R2.1146 O=C1Cc2ccccc2C(=C1)C=O Amb24722849 [0,0,0,1,1,0|1,0,1]=4 627 B14R2.4586 CN(C)C=1C(=O)C1c2ccccc2 Amb25272932 [0,0,0,1,1,0|1,0,0]=3 628 B14R2.4610 CC1(C)CC(C1=O)c2ccccc2 Amb25202664 [0,0,0,1,1,0|0,0,1]=3 629 B14R2.45179 CC1(C)C=C(C=O)c2ccccc12 Amb25790644 [0,0,0,1,1,0|0,0,0]=2 630 B14R2.45179 N#CC1=CC(c2c1cccc2)(C)C Amb17232715 [0,0,0,1,1,0|1,0,1]=4 631 B16R2.312 C[C@@H]1CCC(C(=O)C1)Sc2ccccc2 Amb17617590 [0,0,0,1,0,1|0,0,2]=4 632 B16R2.477 CC(C)COc1cc2ccccc2cc1 Amb22002684 [0,0,0,1,0,1|2,0,0]=4 633 B16R2.1625 CN(C)Cc1c(C=O)[nH]c2ccccc21 Amb19648782 [0,0,0,1,0,1|1,0,0]=3 634 B16R2.1625 CN(C)Cc1c(C=O)[s]c2ccccc21 Amb19649478 [0,0,0,1,0,1|1,0,0]=3 635 B16R2.1625 O=Cc1nc2c(n1CC(C)C)cccc2 Amb1101725 [0,0,0,1,0,1|1,0,0]=3 636 B16R2.36 CC(C)NCCc1c[nH]c2ccccc12 Amb22587949 [0,0,0,1,0,1|1,0,1]=4 637 B16R2.157 CC(C)Nc1[n]c(co1)-c2ccccc2 Amb22267136 [0,0,0,1,0,1|1,0,1]=4 638 B16R2.157 CC(Nc1scc(n1)c2ccccc2)C Amb244389 [0,0,0,1,0,1|1,1,0]=4 639 B16R2.157 CC(Sc1[nH]cc(n1)c2ccccc2)C Amb10708788 [0,0,0,1,0,1|2,0,0]=4 640 B16R2.14594 CC1(C)CNCC(C1=O)c2ccccc2 Amb18785387 [0,0,0,1,0,1|0,0,2]=4 641 B16R2.39178 CC(C)N1CCC(C=O)c2ccccc12 Amb23586314 [0,0,0,1,0,1|0,0,2]=4 642 B16R2.75436 CC(C)CN1CC(C=O)c2ccccc12 Amb23586338 [0,0,0,1,0,1|0,0,2]=4 643 B16R2.75436 CC(C)C[n]1[n]c(C=O)c2ccccc12 Amb23455186 [0,0,0,1,0,1|1,0,0]=3 644 B16R2.75436 CC(O)C[n]1cc(C=O)c2ccccc12 Amb25731278 [0,0,0,1,0,1|1,0,0]=3 645 B16R2.75436 O=Cc1cn(c2c1cccc2)CC(=C)C Amb17116904 [0,0,0,1,0,1|0,0,2]=4 646 B16R2.75436 O=Cc1cn(c2c1cccc2)CC(=O)C Amb17116890 [0,0,0,1,0,1|1,0,1]=4 647 B16R2.75436 O=Cc1cn(c2c1cccc2)CN(C)C Amb17480888 [0,0,0,1,0,1|1,0,0]=3 648 B16R2.75436 O=Cc1nc(n2c1cccc2)CC(C)C Amb17052776 [0,0,0,1,0,1|1,0,0]=3 649 B16R2.86 CC(c1cccc(c1)c2ccccc2)C Amb16192657 [0,1,0,1,0,0|1,0,1]=4 650 B16R2.11831 CC1(C)C(O)ON(C1=O)c2ccccc2 Amb22473634 [0,1,0,1,0,0|2,0,0]=4 651 B16R2.40082 CC(C)c1cc(C=O)c2ccccc2[n]1 Amb18850582 [0,1,0,1,0,0|0,0,1]=3 652 B16R2.2865 CC(C)[n]1cc(c[n]1)-c2ccc(Br)cc2 Amb23443726 [0,1,0,1,0,0|2,0,0]=4 653 B16R2.2865 CC(C)[n]1cc(c[n]1)-c2ccc(I)cc2 Amb23537907 [0,1,0,1,0,0|2,0,0]=4 654 B16R2.39179 CC1(C)CCN(C=O)c2ccc(Br)cc12 Amb22750795 [0,1,0,1,0,0|1,0,1]=4 655 B16R2.2918 CC(C)[n]1cc(c[n]1)-c2cc(Br)ccc2 Amb23443722 [0,1,0,1,0,0|2,0,0]=4 656 B16R2.2918 CC(C)[n]1cc(c[n]1)-c2cc(N)ccc2 Amb24116444 [0,1,0,1,0,0|2,0,0]=4 657 B16R2.14 CNC(C)CCc1c[nH]c2ccccc12 Amb23443880 [0,1,0,1,0,0|1,0,1]=4 658 B16R2.311 CN1C(=O)CC=C(c2ccccc2)C1=O Amb22441877 [0,1,0,1,0,0|1,0,1]=4 659 B16R2.161 CC(C)Cc1cc[n][n]1-c2ccccc2 Amb22490897 [0,1,0,1,0,0|2,0,0]=4 660 B16R2.18974 O=C=Nc1cn(c2c1cccc2)C(C)C Amb17085277 [0,1,0,1,0,0|1,0,1]=4 661 B16R2.179941 CC(C)CNc1[n]ccc2ccccc21 Amb18456059 [0,1,0,1,0,0|2,0,0]=4 662 B16R2.520 CC(C)CC(=O)c1c[nH]c2cc[n]cc21 Amb24587031 [0,1,0,1,0,0|2,0,0]=4 663 B16R2.520 CC(C)CC(N)c1c[nH]c2ccccc12 Amb18894852 [0,1,0,1,0,0|1,0,1]=4 664 B16R2.520 CC(CC(=O)c1c[nH]c2c1cccc2)C Amb1807157 [0,1,0,1,0,0|1,0,0]=3 665 B16R2.520 CC(N)CC(=O)c1c[nH]c2ccccc12 Amb25848654 [0,1,0,1,0,0|2,0,0]=4 666 B16R2.520 CN(CC(=O)c1c[nH]c2c1cccc2)C Amb2227434 [0,1,0,1,0,0|2,0,0]=4 667 B16R2.2816 CC1(C)CC=C(C(O)=C1)c2ccccc2 Amb24059813 [0,1,0,1,0,0|0,0,1]=3 668 B16R2.6150 CC(C)Oc1[n]c2cccc[n]2c1C=O Amb25788234 [0,1,0,1,0,0|2,0,0]=4 669 B16R2.26134 CC1(C)NC(=S)N(C1=O)c2ccccc2 Amb22350113 [0,1,0,1,0,0|2,0,0]=4 670 B16R2.2947 CC(C)(N)CCc1c[nH]c2ccccc12 Amb18864697 [0,1,0,1,0,0|1,0,1]=4 671 B16R2.2947 CC(C)(O)CCc1c[nH]c2ccccc12 Amb18864863 [0,1,0,1,0,0|1,0,1]=4 672 B16R2.3270 CC(C)[n]1cc(c[n]1)-c2ccccc2I Amb24659475 [0,1,0,1,0,0|2,0,0]=4 673 B16R2.3270 CC(C)[n]1cc(c[n]1)-c2ccccc2O Amb23515380 [0,1,0,1,0,0|2,0,0]=4 674 B16R2.4003 CC(C)CCN1C(=O)Nc2ccccc12 Amb18034261 [0,1,0,1,0,0|1,0,1]=4 675 B16R2.4003 CC(C)CCN1C(=O)Oc2ccccc12 Amb19806278 [0,1,0,1,0,0|1,0,1]=4 676 B16R2.4003 CC(CCn1c(=O)oc2c1cccc2)C Amb1420621 [0,1,0,1,0,0|1,0,1]=4 677 B16R2.4003 CN(C)N\C=C\1/C(=O)Nc2ccccc12 Amb23496617 [0,1,0,1,0,0|2,0,0]=4 678 B16R2.14677 CC1(C)CON(C1=O)c2ccccc2Cl Amb22450699 [0,1,0,1,0,0|2,0,0]=4 679 B16R2.25410 CC1CN(C1)C(C(O)=O)c2ccccc2 Amb24456013 [0,1,0,1,0,0|1,0,1]=4 680 B16R2.400351 CC(=O)c1c[n](C(C)C)c2c[n]ccc21 Amb22753646 [0,1,0,1,0,0|2,0,0]=4 681 B16R2.400351 CC(C)[n]1cc(C(O)=O)c2ccccc12 Amb21912559 [0,1,0,1,0,0|1,0,0]=3 682 B16R2.400351 CC(C)c1cc(C(O)=O)[n]2ccccc21 Amb18149679 [0,1,0,1,0,0|1,0,1]=4 683 B16R2.400351 OC(=O)c1nn(c2c1cccc2)C(C)C Amb10603439 [0,1,0,1,0,0|2,0,0]=4 684 B16R2.403705 CC(=O)C1CCC(C)(C)c2ccccc21 Amb24607893 [0,1,0,1,0,0|0,0,2]=4 685 B16R2.403705 CC1(C)CCC(C(O)=O)c2ccccc12 Amb18538590 [0,1,0,1,0,0|0,0,2]=4 686 B16R2.403705 CC1(C)CNC(C(N)=O)c2ccccc12 Amb23515136 [0,1,0,1,0,0|1,0,1]=4 687 B16R2.403705 CC1(C)CNC(C(O)=O)c2ccccc12 Amb19107350 [0,1,0,1,0,0|1,0,1]=4 688 B16R2.403705 OC(=O)C1=CCC(c2c1cccc2)(C)C Amb17237450 [0,1,0,1,0,0|0,0,0]=2 689 B16R3.1814 C1CC1\C=C\c2c[nH]c3ccccc23 Amb24670335 [0,0,0,2,0,0|1,0,1]=4 690 B16R3.104880 CC1(C)CCc2c3ccccc3[nH]c12 Amb25373585 [0,0,0,2,0,0|1,0,1]=4 691 B16R3.6021 C1C2NC=C(C=NC21)c3ccccc3 Amb25200137 [0,0,0,2,0,0|2,0,0]=4 692 B16R3.88384 O=Cc1[n][n](C2CC2)c3ccccc31 Amb23455187 [0,0,0,2,0,0|2,0,0]=4 693 B12R1.54 CC(C)COC(=O)c1ccco1 Amb17672639 [1,0,0,0,1,0|2,0,0]=4 694 B12R1.54 CC(C)\C=C\C(=O)c1ccco1 Amb25371782 [1,0,0,0,1,0|1,0,1]=4 695 B12R1.54 CC(CCC(=O)c1cscc1)C Amb10562661 [1,0,0,0,1,0|1,0,1]=4 696 B12R1.107 CC(=C)CC(=O)c1ccccc1 Amb18563490 [1,0,0,0,1,0|0,0,2]=4 697 B12R1.107 CC(C)=CC(=O)c1cc[n]cc1 Amb24573701 [1,0,0,0,1,0|1,0,1]=4 698 B12R1.107 CC(C)=NC(=O)c1ccccc1 Amb24096687 [1,0,0,0,1,0|1,0,1]=4 699 B12R1.107 CC(C)CC(=O)c1[n]ccc[n]1 Amb18792555 [1,0,0,0,1,0|2,0,0]=4 700 B12R1.107 CC(C)CC(=O)c1c[n]c[n]c1 Amb18800810 [1,0,0,0,1,0|2,0,0]=4 701 B12R1.107 CC(C)CC(=O)c1c[n]cc[n]1 Amb18792554 [1,0,0,0,1,0|2,0,0]=4 702 B12R1.107 CC(C)C[C@@H](Cl)c1ccccc1 Amb25667428 [1,0,0,0,1,0|1,0,1]=4 703 B12R1.107 CC(C)C[C@@H](N)c1ccccc1 Amb22288660 [1,0,0,0,1,0|1,0,1]=4 704 B12R1.107 CC(C)C[C@@H](O)c1ccccc1 Amb25816173 [1,0,0,0,1,0|0,0,2]=4 705 B12R1.107 CC(C)C[C@H](N)c1ccccc1 Amb22288705 [1,0,0,0,1,0|1,0,1]=4 706 B12R1.107 CC(C)C[C@H](O)c1ccccc1 Amb24344678 [1,0,0,0,1,0|0,0,2]=4 707 B12R1.107 CC(C)NC(=O)c1cccc[n]1 Amb25152476 [1,0,0,0,1,0|2,0,0]=4 708 B12R1.107 CC(C)NS(=O)c1ccccc1 Amb25177350 [1,0,0,0,1,0|2,0,0]=4 709 B12R1.107 CC(C)OP(=O)c1ccccc1 Amb25042914 [1,0,0,0,1,0|2,0,0]=4 710 B12R1.107 CC(CC(=O)c1cccnc1)C Amb10607962 [1,0,0,0,1,0|1,0,0]=3 711 B12R1.107 CC(CC(=O)c1ccncc1)C Amb17334579 [1,0,0,0,1,0|1,0,0]=3 712 B12R1.107 CC(CN(c1ccccc1)C)C Amb17232437 [1,0,0,0,1,0|1,0,1]=4 713 B12R1.107 CC(CN(c1ccccc1)N)C Amb17226667 [1,0,0,0,1,0|2,0,0]=4 714 B12R1.107 CC(N)CC(=O)c1ccc[n]c1 Amb24758636 [1,0,0,0,1,0|2,0,0]=4 715 B12R1.107 CC(N)CC(=O)c1ccccc1 Amb20668879 [1,0,0,0,1,0|1,0,0]=3 716 B12R1.107 CC(N)CC(=O)c1ccccc1 Amb22059727 [1,0,0,0,1,0|1,0,0]=3 717 B12R1.107 CC(O)CC(=C)c1ccc[n]c1 Amb25706101 [1,0,0,0,1,0|2,0,0]=4 718 B12R1.107 CC(O)CC(=O)c1ccc[n]c1 Amb25060077 [1,0,0,0,1,0|2,0,0]=4 719 B12R1.107 CC(O)CS(=O)c1ccccc1 Amb25042910 [1,0,0,0,1,0|2,0,0]=4 720 B12R1.107 CC(OC(=O)c1ccccc1)C Amb15740252 [1,0,0,0,1,0|1,0,0]=3 721 B12R1.107 CC(OC(=O)c1ccccc1)Cl Amb10603969 [1,0,0,0,1,0|2,0,0]=4 722 B12R1.107 CC(OC(=O)c1ccccn1)C Amb17509339 [1,0,0,0,1,0|2,0,0]=4 723 B12R1.107 CC(OC(=O)c1cccnc1)C Amb1959307 [1,0,0,0,1,0|2,0,0]=4 724 B12R1.107 CC(OC(=O)c1ccncc1)C Amb17509340 [1,0,0,0,1,0|2,0,0]=4 725 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22446280 [1,0,0,0,1,0|1,0,1]=4 726 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22446311 [1,0,0,0,1,0|1,0,1]=4 727 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22474103 [1,0,0,0,1,0|1,0,1]=4 728 B12R1.107 CC([O-])=CC(=O)c1ccccc1 Amb22474104 [1,0,0,0,1,0|1,0,1]=4 729 B12R1.107 CC(\N=C(/c1ccccc1)\Cl)C Amb2371275 [1,0,0,0,1,0|2,0,0]=4 730 B12R1.107 CN(C)CC(=C)c1cc[n]cc1 Amb25202370 [1,0,0,0,1,0|2,0,0]=4 731 B12R1.107 CN(C)CC(=O)c1cc[n]cc1 Amb25222976 [1,0,0,0,1,0|2,0,0]=4 732 B12R1.107 CN(C)CC(=O)c1ccc[n]c1 Amb25054451 [1,0,0,0,1,0|2,0,0]=4 733 B12R1.107 CN(C)CC(=O)c1ccccc1 Amb22264767 [1,0,0,0,1,0|1,0,0]=3 734 B12R1.107 CN(C)\C=C(/O)\c1ccccc1 Amb24068870 [1,0,0,0,1,0|1,0,1]=4 735 B12R1.107 CN(NC(=O)c1ccccc1)C Amb10574824 [1,0,0,0,1,0|2,0,0]=4 736 B12R1.107 CS(=O)CC(=O)c1ccccc1 Amb24741512 [1,0,0,0,1,0|2,0,0]=4 737 B12R1.107 C[C@@H](N)CS(=O)c1ccccc1 Amb24381565 [1,0,0,0,1,0|2,0,0]=4 738 B12R1.107 C[C@@H](O)CS(=O)c1ccccc1 Amb25788068 [1,0,0,0,1,0|2,0,0]=4 739 B12R1.107 C[C@H](O)CC(=C)c1ccccc1 Amb25741335 [1,0,0,0,1,0|1,0,0]=3 740 B12R1.107 C[C@H](O)CS(=O)c1ccccc1 Amb24364273 [1,0,0,0,1,0|2,0,0]=4 741 B12R1.107 C\C(=C\C(C)O)\c1ccccc1 Amb25823380 [1,0,0,0,1,0|1,0,1]=4 742 B12R1.107 C\C(=C\N(C)C)\c1ccccc1 Amb25711045 [1,0,0,0,1,0|1,0,1]=4 743 B12R1.107 C\C(=N/C(C)C)\c1ccccc1 Amb24053029 [1,0,0,0,1,0|1,0,1]=4 744 B12R1.107 C\C(\F)=C/C(=O)c1ccccc1 Amb24497135 [1,0,0,0,1,0|1,0,1]=4 745 B12R1.107 C\C(\F)=C\C(=O)c1ccccc1 Amb24631194 [1,0,0,0,1,0|1,0,1]=4 746 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22043283 [1,0,0,0,1,0|1,0,1]=4 747 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22729931 [1,0,0,0,1,0|1,0,1]=4 748 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22729983 [1,0,0,0,1,0|1,0,1]=4 749 B12R1.107 C\C(\[O-])=C/C(=O)c1ccccc1 Amb22733686 [1,0,0,0,1,0|1,0,1]=4 750 B12R1.107 C\C(\[O-])=C\C(=O)c1ccccc1 Amb22729984 [1,0,0,0,1,0|1,0,1]=4 751 B12R1.107 NC(c1ccccc1)CC(C)C Amb1107536 [1,0,0,0,1,0|1,0,1]=4 752 B12R1.107 O=C(c1ccccc1)C=C(C)C Amb10874044 [1,0,0,0,1,0|0,0,1]=3 753 B12R1.107 O=C(c1ccccc1)C[NH+](C)C Amb10554030 [1,0,0,0,1,0|1,0,0]=3 754 B12R1.107 O=C(c1ccccc1)C[S+](C)C Amb10838263 [1,0,0,0,1,0|1,0,0]=3 755 B12R1.107 O=C(c1ccccc1)\C=C(/N)\C Amb2386640 [1,0,0,0,1,0|1,0,1]=4 756 B12R1.107 OC(c1ccccc1)CC(C)C Amb1110402 [1,0,0,0,1,0|0,0,2]=4 757 B12R1.476 CN(C)\C=C(\C=O)/c1ccc[s]1 Amb24518498 [0,0,0,0,2,0|2,0,0]=4 758 B12R1.478 C/C(O)=C(/C=O)c1ccccc1 Amb17777663 [0,0,0,0,2,0|1,0,1]=4 759 B12R1.478 CC(C)=C(C=O)c1ccccc1 Amb18645378 [0,0,0,0,2,0|0,0,1]=3 760 B12R1.478 CC(C)C(=C=C)c1ccccc1 Amb25148560 [0,0,0,0,2,0|1,0,1]=4 761 B12R1.478 CC(C)C(=[N+]=[N-])c1ccccc1 Amb24095315 [0,0,0,0,2,0|2,0,0]=4 762 B12R1.478 CC(C)C(C=O)c1cc[n]cc1 Amb24727519 [0,0,0,0,2,0|1,0,1]=4 763 B12R1.478 CC(C)C(C=O)c1cccc[n]1 Amb25376240 [0,0,0,0,2,0|1,0,1]=4 764 B12R1.478 CC(C)[C@H](C=O)c1ccccc1 Amb24497169 [0,0,0,0,2,0|0,0,1]=3 765 B12R1.478 CC(N)\C(=C\Cl)\c1ccccc1 Amb24670393 [0,0,0,0,2,0|2,0,0]=4 766 B12R1.478 CN(C)C(C=O)c1ccccc1 Amb24728369 [0,0,0,0,2,0|1,0,1]=4 767 B12R1.478 C\C(\Cl)=C(\C=O)/c1ccccc1 Amb18648445 [0,0,0,0,2,0|1,0,1]=4 768 B12R1.478 C\C=C(/C(C)N)\c1ccccc1 Amb18645554 [0,0,0,0,2,0|2,0,0]=4 769 B12R1.478 O=CC(c1ccccc1)C(C)C Amb17138541 [0,0,0,0,2,0|0,0,1]=3 770 B12R1.478 O=CN(c1ccccn1)C(C)C Amb10553725 [0,0,0,0,2,0|2,0,0]=4 771 B12R1.478 O=CN(c1cccnc1)C(C)C Amb10553726 [0,0,0,0,2,0|2,0,0]=4 772 B14R1.467 CCCC\C(\C=O)=C\c1ccccc1 Amb22732853 [1,0,0,0,0,1|0,0,1]=3 773 B14R1.420 CC(Br)CCCC(=O)c1ccccc1 Amb24065394 [1,0,0,0,0,1|1,0,1]=4 774 B14R1.420 CC(C)=CCOC(=O)c1ccccc1 Amb22230253 [1,0,0,0,0,1|1,0,1]=4 775 B14R1.420 CC(C)N\C=C/C(=O)c1ccccc1 Amb25797756 [1,0,0,0,0,1|0,0,1]=3 776 B14R1.420 CC(C)\C=C/NC(=O)c1ccccc1 Amb25165912 [1,0,0,0,0,1|0,0,1]=3 777 B14R1.420 CC(C)\C=C\NC(=O)c1ccccc1 Amb25357411 [1,0,0,0,0,1|0,0,1]=3 778 B14R1.420 CC(CCNC(=O)c1ccncc1)C Amb1954131 [1,0,0,0,0,1|1,0,1]=4 779 B14R1.420 CC(OCNC(=O)c1cccnc1)C Amb10562765 [1,0,0,0,0,1|2,0,0]=4 780 B14R1.420 CC(\C=N\NC(=O)c1ccccc1)C Amb2465869 [1,0,0,0,0,1|1,0,1]=4 781 B14R1.420 CN(C)CCCC(=O)c1ccccc1 Amb24117967 [1,0,0,0,0,1|1,0,1]=4 782 B14R1.420 CN(C)CCOC(=O)c1ccccc1 Amb17778565 [1,0,0,0,0,1|1,0,1]=4 783 B14R1.420 CN(CCCC(=O)c1ccccc1)C Amb1951190 [1,0,0,0,0,1|1,0,1]=4 784 B14R1.420 CN(CCNC(=O)c1ccccc1)C Amb1206078 [1,0,0,0,0,1|1,0,1]=4 785 B14R1.423 CC(C)CCC(=O)Nc1ccccc1 Amb25108055 [1,0,0,0,0,1|0,0,1]=3 786 B14R1.423 CC(C)CCC(=S)Nc1ccccc1 Amb25844437 [1,0,0,0,0,1|0,1,1]=4 787 B14R1.423 CC(C)CNC(=N)Nc1ccccc1 Amb19073542 [1,0,0,0,0,1|2,0,0]=4 788 B14R1.423 CC(C)CNC(=O)Nc1cccc[n]1 Amb25668113 [1,0,0,0,0,1|2,0,0]=4 789 B14R1.423 CC(C)COC(=O)Nc1cccc[n]1 Amb24598251 [1,0,0,0,0,1|2,0,0]=4 790 B14R1.423 CC(C)CSC(=O)Nc1ccccc1 Amb25678526 [1,0,0,0,0,1|1,0,0]=3 791 B14R1.423 CC(C)NNC(=O)Nc1ccccc1 Amb25166080 [1,0,0,0,0,1|2,0,0]=4 792 B14R1.423 CC(C)\C=C\C(=O)Nc1ccccc1 Amb24578157 [1,0,0,0,0,1|0,0,1]=3 793 B14R1.423 CC(CCC(=O)Nc1ccccc1)O Amb17336624 [1,0,0,0,0,1|1,0,1]=4 794 B14R1.423 CC(CCC(=O)Nc1cccnc1)C Amb15739642 [1,0,0,0,0,1|1,0,1]=4 795 B14R1.423 CC(CNC(=O)Nc1ccccc1)C Amb1233725 [1,0,0,0,0,1|1,0,0]=3 796 B14R1.423 CC(CNC(=S)Nc1ccccc1)C Amb1841661 [1,0,0,0,0,1|1,1,0]=4 797 B14R1.423 CC(COC(=O)Nc1ccccc1)C Amb1017293 [1,0,0,0,0,1|1,0,0]=3 798 B14R1.423 CC(COC(=S)Nc1ccccc1)C Amb1039629 [1,0,0,0,0,1|1,1,0]=4 799 B14R1.423 CC(Cl)CCC(=O)Nc1ccccc1 Amb25743078 [1,0,0,0,0,1|1,0,1]=4 800 B14R1.423 CC(N)CCC(=O)Nc1ccccc1 Amb23536725 [1,0,0,0,0,1|1,0,1]=4 801 B14R1.423 CC(N)CNC(=O)Nc1ccccc1 Amb18112464 [1,0,0,0,0,1|2,0,0]=4 802 B14R1.423 CC(S)CCC(=O)Nc1ccccc1 Amb24601450 [1,0,0,0,0,1|1,0,1]=4 803 B14R1.423 CC(SCC(=O)Nc1ccccc1)C Amb2556743 [1,0,0,0,0,1|1,0,1]=4 804 B14R1.423 CN(C)CCC(=O)Nc1ccccc1 Amb24499140 [1,0,0,0,0,1|1,0,1]=4 805 B14R1.423 CN(\C=C\C(=O)Nc1ccccc1)C Amb2408498 [1,0,0,0,0,1|1,0,1]=4 806 B14R1.549 CC(C)C\C(\Nc1ccccc1)=N/N Amb19041343 [0,0,0,0,1,1|2,0,0]=4 807 B14R1.549 CN(C)C=C(Cc1ccccc1)C=O Amb22228640 [0,0,0,0,1,1|1,0,0]=3 808 B14R1.549 O=C\C(=C\c1ccccc1)\CC(=C)C Amb17594833 [0,0,0,0,1,1|0,0,2]=4