0 B16R2.12 C=C(C[n]1ccc2ccccc12)C(O)=O Amb24463002 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.12 CC(=O)C(C)Cc1c[nH]c2ccccc21 Amb18864388 [0,0,0,0,0,0|2,0,0]=2 2 B16R2.12 CC(=O)N(C)Cc1c[nH]c2ccccc21 Amb20248510 [0,0,0,0,0,0|3,0,0]=3 3 B16R2.12 CC(C(=O)O)Cc1c[nH]c2c1cccn2 Amb10844297 [0,0,0,0,0,0|2,0,0]=2 4 B16R2.12 CC(CC1CSc2ccccc21)C(O)=O Amb25346858 [0,0,0,0,0,0|2,0,2]=4 5 B16R2.12 CC(C[n]1[n]cc2ccccc12)C(O)=O Amb18986530 [0,0,0,0,0,0|4,0,0]=4 6 B16R2.12 CC(C[n]1ccc2ccccc12)C(O)=O Amb19001382 [0,0,0,0,0,0|3,0,0]=3 7 B16R2.12 CC(Cc1c[nH]c2ccccc21)C([O-])=O Amb23567003 [0,0,0,0,0,0|1,0,1]=2 8 B16R2.12 CC(Cc1c[nH]c2ccccc21)N(C)C Amb22284801 [0,0,0,0,0,0|4,0,0]=4 9 B16R2.12 CC(Cc1c[s]c2ccccc21)C(O)=O Amb25198396 [0,0,0,0,0,0|2,0,0]=2 10 B16R2.12 CC(Nc1[n]oc2ccccc21)C(O)=O Amb25793802 [0,0,0,0,0,0|4,0,0]=4 11 B16R2.12 CC(Nc1[s][n]c2ccccc21)C(O)=O Amb24381343 [0,0,0,0,0,0|3,0,1]=4 12 B16R2.12 CC(Sc1[s][n]c2ccccc21)C(O)=O Amb24641099 [0,0,0,0,0,0|3,0,1]=4 13 B16R2.12 C\C(=C/c1c[nH]c2ccccc21)\C(C)=O Amb25354321 [0,0,0,0,0,0|2,0,2]=4 14 B16R2.12 C\C(=C\c1c[nH]c2ccccc12)\C(O)=O Amb25068777 [0,0,0,0,0,0|1,0,2]=3 15 B16R2.12 C\C(=C\c1c[s]c2ccccc12)\C(O)=O Amb25855143 [0,0,0,0,0,0|2,0,2]=4 16 B16R2.12 C\C(=C\c1coc2ccccc12)\C(O)=O Amb25853786 [0,0,0,0,0,0|2,0,2]=4 17 B16R2.12 NC(=O)C(Cc1c[nH]c2c1cccc2)N Amb16187072 [0,0,0,0,0,0|1,0,0]=1 18 B16R2.12 NC(=O)C(N)CC1COc2ccccc21 Amb24401822 [0,0,0,0,0,0|2,0,2]=4 19 B16R2.12 NC(=O)C(N)CN1CCc2ccccc12 Amb18984329 [0,0,0,0,0,0|3,0,1]=4 20 B16R2.12 NC(=O)C(N)C[n]1[n]cc2ccccc12 Amb18986539 [0,0,0,0,0,0|4,0,0]=4 21 B16R2.12 NC(=O)C(N)C[n]1c[n]c2ccccc12 Amb18984346 [0,0,0,0,0,0|2,0,1]=3 22 B16R2.12 NC(=O)C(N)C[n]1ccc2ccccc12 Amb25287858 [0,0,0,0,0,0|3,0,0]=3 23 B16R2.12 NC(=O)C(N)Cc1c[nH]c2ccccc21 Amb19893176 [0,0,0,0,0,0|1,0,0]=1 24 B16R2.12 NC(=O)[C@@H](N)Cc1c[nH]c2ccccc21 Amb22432475 [0,0,0,0,0,0|1,0,0]=1 25 B16R2.12 NC(=O)[C@H](Cc1c[nH]c2c1cccc2)N Amb16183884 [0,0,0,0,0,0|1,0,0]=1 26 B16R2.12 NC(=O)[C@H](N)Cc1c[nH]c2ccccc21 Amb24087712 [0,0,0,0,0,0|1,0,0]=1 27 B16R2.12 NC(C(=O)O)Cc1c[nH]c2c1cccn2 Amb10071215 [0,0,0,0,0,0|1,0,0]=1 28 B16R2.12 NC(C(=O)O)Cc1c[nH]c2c1cccn2 Amb19134646 [0,0,0,0,0,0|1,0,0]=1 29 B16R2.12 NC(CC1C=Nc2ccccc21)C(O)=O Amb24085980 [0,0,0,0,0,0|0,0,2]=2 30 B16R2.12 NC(CC1COc2ccccc21)C(O)=O Amb24717470 [0,0,0,0,0,0|1,0,2]=3 31 B16R2.12 NC(CC1CSc2ccccc21)C(O)=O Amb24117191 [0,0,0,0,0,0|1,0,2]=3 32 B16R2.12 NC(CC1CSc2ccccc21)C(O)=O Amb25082951 [0,0,0,0,0,0|1,0,2]=3 33 B16R2.12 NC(CN1CCc2ccccc12)C(O)=O Amb18981875 [0,0,0,0,0,0|2,0,1]=3 34 B16R2.12 NC(C[n]1[n][n]c2ccccc12)C(O)=O Amb25722703 [0,0,0,0,0,0|2,0,1]=3 35 B16R2.12 NC(C[n]1[n]cc2ccccc12)C(O)=O Amb18986540 [0,0,0,0,0,0|3,0,0]=3 36 B16R2.12 NC(Cc1c[s]c2ccccc21)C(O)=O Amb22448343 [0,0,0,0,0,0|1,0,0]=1 37 B16R2.12 NC(Cc1coc2ccccc21)C(O)=O Amb18783358 [0,0,0,0,0,0|1,0,0]=1 38 B16R2.12 N[13CH](Cc1c[nH]c2ccccc21)C(O)=O Amb22367362 [0,0,0,0,0,0|0,0,0]=0 39 B16R2.12 N[C@@H](C(=O)O)Cc1c[nH]c2c1cccn2 Amb13884989 [0,0,0,0,0,0|1,0,0]=1 40 B16R2.12 N[C@@H](Cc1c[nH]c2[n]cccc21)C(O)=O Amb19929655 [0,0,0,0,0,0|1,0,0]=1 41 B16R2.12 N[C@@H](Cc1c[nH]c2ccccc21)[13C](O)=O Amb22339014 [0,0,0,0,0,0|0,0,0]=0 42 B16R2.12 N[C@@H](Cc1coc2ccccc21)C(O)=O Amb22745453 [0,0,0,0,0,0|1,0,0]=1 43 B16R2.12 N[C@H](CC1COc2ccccc21)C(O)=O Amb25033750 [0,0,0,0,0,0|1,0,2]=3 44 B16R2.12 N[C@H](CC1CSc2ccccc21)C(O)=O Amb25727582 [0,0,0,0,0,0|1,0,2]=3 45 B16R2.12 N\C(=C\c1c[nH]c2ccccc12)\C(O)=O Amb24461432 [0,0,0,0,0,0|0,0,2]=2 46 B16R2.12 OC(=O)C(=O)Cc1c[s]c2ccccc21 Amb18995285 [0,0,0,0,0,0|2,0,1]=3 47 B16R2.12 OC(=O)C(Cl)CN1CCc2ccccc12 Amb25304495 [0,0,0,0,0,0|3,0,1]=4 48 B16R2.12 OC(=O)C(Cl)C[n]1c[n]c2ccccc12 Amb25716251 [0,0,0,0,0,0|2,0,1]=3 49 B16R2.12 OC(=O)C(Cn1nnc2c1cccc2)C Amb2225369 [0,0,0,0,0,0|3,0,1]=4 50 B16R2.12 OC(=O)C(F)Cc1c[s]c2ccccc21 Amb25200730 [0,0,0,0,0,0|2,0,0]=2 51 B16R2.12 OC(=O)C(Nc1nsc2c1cccc2)C Amb2372365 [0,0,0,0,0,0|4,0,0]=4 52 B16R2.12 OC(=O)C(O)CN1CCc2ccccc12 Amb25780917 [0,0,0,0,0,0|3,0,1]=4 53 B16R2.12 OC(=O)C(O)C[n]1[n][n]c2ccccc12 Amb24517580 [0,0,0,0,0,0|3,0,1]=4 54 B16R2.12 OC(=O)C(O)C[n]1c[n]c2ccccc12 Amb24408475 [0,0,0,0,0,0|2,0,1]=3 55 B16R2.12 OC(=O)C(O)C[n]1ccc2ccccc12 Amb25133233 [0,0,0,0,0,0|3,0,0]=3 56 B16R2.12 OC(=O)C(S)Cc1c[nH]c2ccccc21 Amb24085128 [0,0,0,0,0,0|1,0,0]=1 57 B16R2.12 OC(=O)[13CH]([13CH2]c1c[nH]c2c1cccc2)[15NH2] Amb17621155 [0,0,0,0,0,0|0,0,0]=0 58 B16R2.12 OC(=O)[C@@H](O)Cc1c[nH]c2ccccc21 Amb20242859 [0,0,0,0,0,0|1,0,0]=1 59 B16R2.12 OC(=O)[C@H](Cc1csc2c1cccc2)N Amb10068196 [0,0,0,0,0,0|1,0,0]=1 60 B16R2.12 OC(=O)\C(=C\c1c[nH]c2c1cccc2)\S Amb2501433 [0,0,0,0,0,0|1,0,2]=3 61 B16R2.12 OC(=O)\C(\F)=C\c1c[s]c2ccccc12 Amb25116909 [0,0,0,0,0,0|2,0,2]=4 62 B16R2.12 [15NH2][13C@@H]([13CH2][13c]1[13cH][15nH][13c]2[13cH][13cH][13cH][13cH][13c]21)[13C](O)=O Amb22362660 [0,0,0,0,0,0|0,0,0]=0 63 B16R2.12 [15NH2][C@@H](Cc1c[15nH]c2ccccc21)C(O)=O Amb22353568 [0,0,0,0,0,0|0,0,0]=0 64 B16R2.12 [15NH2][C@@H](Cc1c[nH]c2ccccc21)C(O)=O Amb22338973 [0,0,0,0,0,0|0,0,0]=0 65 B15R2.4 C=CC(O)CC1=CCc2ccccc21 Amb24403925 [1,0,0,0,0,0|3,0,0]=4 66 B15R2.4 CC(C=C)Sc1c[nH]c2ccccc12 Amb25311345 [1,0,0,0,0,0|3,0,0]=4 67 B15R2.4 CC(CO)Cc1c[nH]c2ccccc21 Amb24468863 [1,0,0,0,0,0|1,0,1]=3 68 B15R2.4 CC(Cc1c[nH]c2ccccc12)NN Amb24079706 [1,0,0,0,0,0|3,0,0]=4 69 B15R2.4 CC(Cc1c[nH]c2ccccc12)NO Amb17940524 [1,0,0,0,0,0|2,0,0]=3 70 B15R2.4 CC(Cc1c[nH]c2ccccc21)C=O Amb25109145 [1,0,0,0,0,0|1,0,0]=2 71 B15R2.4 CCC(Cc1c[nH]c2c1cccc2)N Amb1899372 [1,0,0,0,0,0|1,0,1]=3 72 B15R2.4 CCC(N)Cc1[n][nH]c2ccccc21 Amb25064790 [1,0,0,0,0,0|2,0,1]=4 73 B15R2.4 CCC(N)Cc1c[nH]c2ccccc21 Amb22729362 [1,0,0,0,0,0|1,0,1]=3 74 B15R2.4 CCC(N)Cc1c[s]c2ccccc21 Amb19649477 [1,0,0,0,0,0|2,0,1]=4 75 B15R2.4 CCC(O)Cc1c[nH]c2ccccc21 Amb25223162 [1,0,0,0,0,0|2,0,1]=4 76 B15R2.4 CC[C@H](N)Cc1c[nH]c2ccccc21 Amb25317435 [1,0,0,0,0,0|1,0,1]=3 77 B15R2.4 C[C@@H](Cc1c[nH]c2ccccc21)C=O Amb25088388 [1,0,0,0,0,0|1,0,0]=2 78 B15R2.4 C[C@H](Cc1c[nH]c2ccccc21)C=O Amb25164432 [1,0,0,0,0,0|1,0,0]=2 79 B15R2.4 C\C(\C=O)=C\c1c[nH]c2ccccc12 Amb25049905 [1,0,0,0,0,0|1,0,2]=4 80 B15R2.4 C\C(\Cc1c[nH]c2ccccc21)=C\C Amb24729531 [1,0,0,0,0,0|2,0,1]=4 81 B15R2.4 C\C(\Cc1c[nH]c2ccccc21)=N\O Amb24610596 [1,0,0,0,0,0|2,0,1]=4 82 B15R2.4 N#CC(Cl)Cc1c[nH]c2ccccc21 Amb25312475 [1,0,0,0,0,0|2,0,1]=4 83 B15R2.4 NC(CO)Cc1c[nH]c2[n]cccc21 Amb25037761 [1,0,0,0,0,0|1,0,1]=3 84 B15R2.4 NC(CO)Cc1c[nH]c2ccccc21 Amb18819234 [1,0,0,0,0,0|0,0,1]=2 85 B15R2.4 NCC(Cc1c[nH]c2c1cccc2)C Amb17594895 [1,0,0,0,0,0|2,0,1]=4 86 B15R2.4 NCC(O)Cc1c[nH]c2ccccc21 Amb18819231 [1,0,0,0,0,0|2,0,1]=4 87 B15R2.4 NC[C@@H](N)Cc1c[nH]c2ccccc21 Amb24664184 [1,0,0,0,0,0|1,0,1]=3 88 B15R2.4 NC[C@H](N)Cc1c[nH]c2ccccc21 Amb24367025 [1,0,0,0,0,0|1,0,1]=3 89 B15R2.4 OC(CCl)Cc1c[nH]c2ccccc21 Amb25288417 [1,0,0,0,0,0|2,0,1]=4 90 B15R2.4 OC(C[n]1c[n]c2ccccc12)C=O Amb25738983 [1,0,0,0,0,0|2,0,1]=4 91 B15R2.4 OCC(O)Cc1c[nH]c2ccccc21 Amb25047270 [1,0,0,0,0,0|1,0,1]=3 92 B15R2.4 ONC(=O)Cc1c[nH]c2c1cccc2 Amb17234863 [1,0,0,0,0,0|2,0,1]=4 93 B15R2.4 ONC(=S)Cc1c[nH]c2ccccc12 Amb25054014 [1,0,0,0,0,0|2,0,1]=4 94 B15R2.4 O\N=C(\Cc1c[nH]c2c1cccc2)/C Amb1817795 [1,0,0,0,0,0|2,0,1]=4 95 B15R2.4 O\N=C(\Cl)/Cc1c[nH]c2ccccc21 Amb24574703 [1,0,0,0,0,0|2,0,1]=4 96 B15R2.6 CC(=O)C=Cc1c[nH]c2ccccc12 Amb24062734 [1,0,0,0,0,0|1,0,2]=4 97 B15R2.6 CC(=O)CCc1[n][nH]c2ccccc12 Amb20247843 [1,0,0,0,0,0|2,0,0]=3 98 B15R2.6 CC(=O)CCc1c[nH]c2[n]cccc12 Amb25354133 [1,0,0,0,0,0|2,0,0]=3 99 B15R2.6 CC(=O)CCc1c[nH]c2c[n]ccc12 Amb25072713 [1,0,0,0,0,0|2,0,0]=3 100 B15R2.6 CC(=O)CCc1c[nH]c2cc[n]cc12 Amb24625781 [1,0,0,0,0,0|2,0,0]=3 101 B15R2.6 CC(=O)OCc1c[nH]c2ccccc21 Amb25087863 [1,0,0,0,0,0|2,0,0]=3 102 B15R2.6 CC(=O)OCc1c[s]c2ccccc21 Amb24105118 [1,0,0,0,0,0|3,0,0]=4 103 B15R2.6 CC(=O)SCc1c[nH]c2ccccc21 Amb24666622 [1,0,0,0,0,0|2,0,0]=3 104 B15R2.6 CC(=O)\C=C\c1c[nH]c2c1cccc2 Amb1818431 [1,0,0,0,0,0|1,0,2]=4 105 B15R2.6 CC(=O)\C=C\c1c[nH]c2c1cccc2 Amb2388998 [1,0,0,0,0,0|1,0,2]=4 106 B15R2.6 CC(Br)CCc1c[nH]c2ccccc12 Amb24606346 [1,0,0,0,0,0|2,0,1]=4 107 B15R2.6 CC(C)=CCc1c[nH]c2ccccc12 Amb17939147 [1,0,0,0,0,0|2,0,1]=4 108 B15R2.6 CC(CCc1c[nH]c2c1cccc2)N Amb17063475 [1,0,0,0,0,0|2,0,1]=4 109 B15R2.6 CC(O)CCc1c[nH]c2ccccc12 Amb23443879 [1,0,0,0,0,0|1,0,1]=3 110 B15R2.6 CC(O)CCc1c[s]c2ccccc12 Amb24401820 [1,0,0,0,0,0|2,0,1]=4 111 B15R2.6 CC(O)CCc1coc2ccccc12 Amb25209469 [1,0,0,0,0,0|2,0,1]=4 112 B15R2.6 CC(S)CCc1c[nH]c2ccccc12 Amb25166149 [1,0,0,0,0,0|1,1,1]=4 113 B15R2.6 CN(N)CCc1c[nH]c2ccccc12 Amb25238950 [1,0,0,0,0,0|3,0,0]=4 114 B15R2.6 NC(=N)CCc1c[nH]c2ccccc12 Amb25314729 [1,0,0,0,0,0|2,0,0]=3 115 B15R2.6 NC(=N)NCc1c[nH]c2ccccc21 Amb25784756 [1,0,0,0,0,0|3,0,0]=4 116 B15R2.6 NC(=O)CCc1[n][s]c2ccccc12 Amb24530646 [1,0,0,0,0,0|3,0,0]=4 117 B15R2.6 NC(=O)CCc1c[n]c2cccc[n]12 Amb24097765 [1,0,0,0,0,0|2,0,1]=4 118 B15R2.6 NC(=O)CCc1c[s]c2ccccc12 Amb25035755 [1,0,0,0,0,0|2,0,0]=3 119 B15R2.6 NC(=O)CCn1ccc2c1cccc2 Amb1902855 [1,0,0,0,0,0|3,0,0]=4 120 B15R2.6 NC(=O)CCn1cnc2c1cccc2 Amb1065271 [1,0,0,0,0,0|2,0,1]=4 121 B15R2.6 NC(=O)CSc1coc2ccccc12 Amb25309612 [1,0,0,0,0,0|3,0,0]=4 122 B15R2.6 NC(=O)NCc1c[nH]c2ccccc21 Amb22482960 [1,0,0,0,0,0|2,0,0]=3 123 B15R2.6 NC(=S)CCc1c[nH]c2ccccc12 Amb24645631 [1,0,0,0,0,0|1,1,0]=3 124 B15R2.6 O=C(Cl)CCc1c[nH]c2ccccc12 Amb25733134 [1,0,0,0,0,0|1,0,0]=2 125 B15R2.6 O=C(Cl)CCc1c[s]c2ccccc12 Amb25086054 [1,0,0,0,0,0|2,0,0]=3 126 B15R2.6 OC(=O)C#Cc1c[nH]c2ccccc12 Amb22713524 [1,0,0,0,0,0|0,0,2]=3 127 B15R2.6 OC(=O)CCC1=CCc2ccccc21 Amb24498312 [1,0,0,0,0,0|1,0,0]=2 128 B15R2.6 OC(=O)CCC1CCc2ccccc21 Amb18650564 [1,0,0,0,0,0|1,0,2]=4 129 B15R2.6 OC(=O)CCC1CNc2ccccc21 Amb18560673 [1,0,0,0,0,0|0,0,2]=3 130 B15R2.6 OC(=O)CCC1CSc2ccccc21 Amb25137538 [1,0,0,0,0,0|1,0,2]=4 131 B15R2.6 OC(=O)CCN1CCc2c1cccc2 Amb2235429 [1,0,0,0,0,0|2,0,1]=4 132 B15R2.6 OC(=O)CC[C@H]1CCc2ccccc21 Amb24634307 [1,0,0,0,0,0|1,0,2]=4 133 B15R2.6 OC(=O)CC[n]1c[nH+]c2ccccc12 Amb19846248 [1,0,0,0,0,0|1,0,1]=3 134 B15R2.6 OC(=O)CC[n]1c[n]c2ccc[n]c12 Amb18917199 [1,0,0,0,0,0|2,0,1]=4 135 B15R2.6 OC(=O)CC[n]1c[n]c2ccccc12 Amb22492319 [1,0,0,0,0,0|1,0,1]=3 136 B15R2.6 OC(=O)CC[n]1ccc2ccc[n]c12 Amb21921525 [1,0,0,0,0,0|3,0,0]=4 137 B15R2.6 OC(=O)CCc1[nH][n]c2ccccc12 Amb24604505 [1,0,0,0,0,0|1,0,1]=3 138 B15R2.6 OC(=O)CCc1[n][nH]c2[n]cccc12 Amb25747490 [1,0,0,0,0,0|2,0,0]=3 139 B15R2.6 OC(=O)CCc1[n]oc2ccccc12 Amb18818911 [1,0,0,0,0,0|2,0,0]=3 140 B15R2.6 OC(=O)CCc1c[nH]c2c1cccc2 Amb1680030 [1,0,0,0,0,0|0,0,0]=1 141 B15R2.6 OC(=O)CCc1c[nH]c2c1cccn2 Amb13885267 [1,0,0,0,0,0|1,0,0]=2 142 B15R2.6 OC(=O)CCc1c[n][n]2ccccc21 Amb25806764 [1,0,0,0,0,0|1,0,1]=3 143 B15R2.6 OC(=O)CCc1c[s]c2ccccc12 Amb18995289 [1,0,0,0,0,0|1,0,0]=2 144 B15R2.6 OC(=O)CCc1cc[n]2c[n]ccc21 Amb18819664 [1,0,0,0,0,0|3,0,0]=4 145 B15R2.6 OC(=O)CCc1cnc2n1cccc2 Amb17127695 [1,0,0,0,0,0|1,0,1]=3 146 B15R2.6 OC(=O)CCc1coc2ccccc12 Amb18650405 [1,0,0,0,0,0|1,0,0]=2 147 B15R2.6 OC(=O)CCc1ncc2n1cccc2 Amb1141877 [1,0,0,0,0,0|3,0,0]=4 148 B15R2.6 OC(=O)CCc1ncn2c1cccc2 Amb17052846 [1,0,0,0,0,0|3,0,0]=4 149 B15R2.6 OC(=O)CCc1nnc2n1cccc2 Amb10875228 [1,0,0,0,0,0|2,0,1]=4 150 B15R2.6 OC(=O)CCc1o[n]c2ccccc12 Amb18818950 [1,0,0,0,0,0|1,0,1]=3 151 B15R2.6 OC(=O)CCn1ccc2c1cccc2 Amb1215762 [1,0,0,0,0,0|2,0,0]=3 152 B15R2.6 OC(=O)CCn1cnc2c1cccc2 Amb1099400 [1,0,0,0,0,0|1,0,1]=3 153 B15R2.6 OC(=O)CCn1cnc2c1cccc2 Amb1292760 [1,0,0,0,0,0|1,0,1]=3 154 B15R2.6 OC(=O)CCn1nnc2c1cccc2 Amb1040365 [1,0,0,0,0,0|2,0,1]=4 155 B15R2.6 OC(=O)CNc1[n]oc2ccccc21 Amb24759851 [1,0,0,0,0,0|3,0,0]=4 156 B15R2.6 OC(=O)CNc1[s][n]c2ccccc21 Amb24418197 [1,0,0,0,0,0|2,0,1]=4 157 B15R2.6 OC(=O)CNc1c[nH]c2c1cccn2 Amb13885112 [1,0,0,0,0,0|2,0,0]=3 158 B15R2.6 OC(=O)CNc1nsc2c1cccc2 Amb2372428 [1,0,0,0,0,0|3,0,0]=4 159 B15R2.6 OC(=O)COc1[nH][n]c2ccccc21 Amb18651035 [1,0,0,0,0,0|2,0,1]=4 160 B15R2.6 OC(=O)COc1[n][s]c2ccccc21 Amb18776031 [1,0,0,0,0,0|3,0,0]=4 161 B15R2.6 OC(=O)COc1[n]oc2ccccc12 Amb18816808 [1,0,0,0,0,0|3,0,0]=4 162 B15R2.6 OC(=O)CSc1[n]oc2ccccc21 Amb18656462 [1,0,0,0,0,0|3,0,0]=4 163 B15R2.6 OC(=O)CSc1[s][n]c2ccccc21 Amb24650589 [1,0,0,0,0,0|2,0,1]=4 164 B15R2.6 OC(=O)CSc1c[nH]c2c1cccc2 Amb1030900 [1,0,0,0,0,0|1,0,0]=2 165 B15R2.6 OC(=O)CSc1coc2ccccc12 Amb25743001 [1,0,0,0,0,0|2,0,0]=3 166 B15R2.6 OC(=O)SCc1c[nH]c2ccccc21 Amb25238918 [1,0,0,0,0,0|1,0,0]=2 167 B15R2.6 OC(=O)\C=C/c1c[nH]c2c1cccc2 Amb10845369 [1,0,0,0,0,0|0,0,2]=3 168 B15R2.6 OC(=O)\C=C\c1c[nH]c2[n]cccc12 Amb18649790 [1,0,0,0,0,0|1,0,2]=4 169 B15R2.6 OC(=O)\C=C\c1coc2ccccc12 Amb18649743 [1,0,0,0,0,0|1,0,2]=4 170 B15R2.6 OC(=O)\C=C\c1csc2c1cccc2 Amb1106267 [1,0,0,0,0,0|1,0,2]=4 171 B15R2.6 OC(=S)CCc1c[nH]c2ccccc12 Amb22734547 [1,0,0,0,0,0|0,1,0]=2 172 B15R2.6 OC(=S)\C=C\c1c[nH]c2ccccc12 Amb24511662 [1,0,0,0,0,0|0,1,2]=4 173 B15R2.6 [O-]C(=O)CCc1c[nH]c2ccccc12 Amb21928575 [1,0,0,0,0,0|0,0,1]=2 174 B15R2.6 [O-]C(=O)\C=C\c1c[nH]c2c1cccc2 Amb10789305 [1,0,0,0,0,0|0,0,3]=4 175 B15R2.6 [O-]C(=O)\C=C\c1c[nH]c2ccccc12 Amb24113884 [1,0,0,0,0,0|0,0,3]=4 176 B15R2.6 [O-][N+](=O)CCc1c[nH]c2[n]cccc12 Amb24541364 [1,0,0,0,0,0|2,0,1]=4 177 B15R2.6 [O-]\[N+](\O)=C/Cc1c[nH]c2ccccc21 Amb24638216 [1,0,0,0,0,0|1,0,2]=4 178 B17R2.7 CNC(=O)C(N)Cc1c[nH]c2ccccc12 Amb18972759 [0,1,0,0,0,0|1,0,0]=2 179 B17R2.7 CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12 Amb19374881 [0,1,0,0,0,0|1,0,0]=2 180 B17R2.7 COC(=O)C(Cc1c[nH]c2c1cccc2)N Amb1208381 [0,1,0,0,0,0|0,0,0]=1 181 B17R2.7 COC(=O)C(Cc1c[nH]c2c1cccc2)N Amb2520088 [0,1,0,0,0,0|0,0,0]=1 182 B17R2.7 NC(Cc1c[nH]c2ccccc12)C(=O)NO Amb22451361 [0,1,0,0,0,0|0,0,0]=1 183 B17R2.138 OC(=O)C(Cc1c[nH]c2c1cccc2)(C)C Amb10844295 [0,1,0,0,0,0|1,0,0]=2 184 B17R2.138 OC(=O)[C@@](Cc1c[nH]c2c1cccc2)(N)C Amb17617885 [0,1,0,0,0,0|0,0,0]=1 185 B17R2.289 CC(C)C(Cc1c[nH]c2ccccc21)NC Amb18225715 [0,1,0,0,0,0|2,0,1]=4 186 B17R2.289 CCC(C(=O)O)Sc1c[nH]c2c1cccc2 Amb10782081 [0,1,0,0,0,0|2,0,0]=3 187 B17R2.289 N#CC(C(=O)N)Cc1c[nH]c2c1cccc2 Amb15741051 [0,1,0,0,0,0|1,0,1]=3 188 B17R2.289 N#C\C(=C/c1c[nH]c2c1cccc2)\C(=O)O Amb17193992 [0,1,0,0,0,0|0,0,3]=4 189 B17R2.289 N#C\C(=C\c1c[nH]c2c1cccc2)\C(=O)O Amb10808419 [0,1,0,0,0,0|0,0,3]=4 190 B17R2.2473 NC(C(O)(C)C)Cc1c[nH]c2c1cccc2 Amb10075389 [0,1,0,0,0,0|1,0,1]=3 191 B17R2.2473 OC(Cc1c[nH]c2ccccc21)S(O)(=O)=O Amb22347762 [0,1,0,0,0,0|2,0,0]=3 192 B17R2.3450 N[C@@H](Cc1c[nH]c2cc(Br)ccc21)C(O)=O Amb22745846 [0,1,0,0,0,0|0,0,0]=1 193 B17R2.3450 N[C@@H](Cc1c[nH]c2cc(O)ccc21)C(O)=O Amb22745841 [0,1,0,0,0,0|0,0,0]=1 194 B17R2.3450 OC(=O)[C@H](Cc1c[nH]c2c1ccc(c2)Cl)N Amb17611125 [0,1,0,0,0,0|0,0,0]=1 195 B17R2.5003 Cc1[nH]c2ccccc2c1CC(C)C(C)=O Amb18866647 [0,1,0,0,0,0|2,0,0]=3 196 B17R2.5003 Cc1[nH]c2ccccc2c1CC(N)C(O)=O Amb18570370 [0,1,0,0,0,0|0,0,0]=1 197 B17R2.5003 Cc1[n]c2ccccc2[n]1CC(C)C(O)=O Amb21955243 [0,1,0,0,0,0|2,0,1]=4 198 B17R2.5003 NC(Cc1c2ccccc2[nH]c1O)C(O)=O Amb24081424 [0,1,0,0,0,0|0,0,0]=1 199 B17R2.5003 N[C@@H](Cc1c2ccccc2[nH]c1O)C(O)=O Amb24081446 [0,1,0,0,0,0|0,0,0]=1 200 B17R2.5003 N[C@H](Cc1c2ccccc2[nH]c1O)C(O)=O Amb24081428 [0,1,0,0,0,0|0,0,0]=1 201 B17R2.5003 Nc1[nH]c2ccccc2c1CC(N)C(O)=O Amb24093839 [0,1,0,0,0,0|0,0,0]=1 202 B17R2.5003 Nc1[nH]c2ccccc2c1C[C@@H](N)C(O)=O Amb24093841 [0,1,0,0,0,0|0,0,0]=1 203 B17R2.5003 Nc1[nH]c2ccccc2c1C[C@H](N)C(O)=O Amb24079701 [0,1,0,0,0,0|0,0,0]=1 204 B17R2.5003 OC(=O)C(Cn1c(C)nc2c1cccc2)C Amb1239534 [0,1,0,0,0,0|2,0,1]=4 205 B17R2.25461 Cc1cc2c(CC(C(=O)O)N)c[nH]c2cc1 Amb2099472 [0,1,0,0,0,0|0,0,0]=1 206 B17R2.25461 Cc1cc2c(C[C@@H](N)C(O)=O)c[nH]c2cc1 Amb22898993 [0,1,0,0,0,0|0,0,0]=1 207 B17R2.25461 Cc1cc2c(C[C@H](N)C(O)=O)c[nH]c2cc1 Amb24099325 [0,1,0,0,0,0|0,0,0]=1 208 B17R2.25461 NC(C(=O)O)Cc1c[nH]c2c1cc(Cl)cc2 Amb16184007 [0,1,0,0,0,0|0,0,0]=1 209 B17R2.25461 NC(C(=O)O)Cc1c[nH]c2c1cc(F)cc2 Amb2099508 [0,1,0,0,0,0|0,0,0]=1 210 B17R2.25461 NC(C(=O)O)Cc1c[nH]c2c1cc(N)cc2 Amb16184003 [0,1,0,0,0,0|0,0,0]=1 211 B17R2.25461 N[C@@H](Cc1c[nH]c2ccc(Br)cc21)C(O)=O Amb22745416 [0,1,0,0,0,0|0,0,0]=1 212 B17R2.25461 N[C@@H](Cc1c[nH]c2ccc(O)cc21)C(O)=O Amb22747910 [0,1,0,0,0,0|0,0,0]=1 213 B17R2.25461 N[C@H](Cc1c[nH]c2ccc(O)cc21)C(O)=O Amb24073953 [0,1,0,0,0,0|0,0,0]=1 214 B17R2.25461 OC(=O)C(Cc1c[nH]c2c1cc(O)cc2)N Amb2099473 [0,1,0,0,0,0|0,0,0]=1 215 B17R2.25461 OC(=O)C(S)=Cc1c[nH]c2ccc(F)cc12 Amb24123192 [0,1,0,0,0,0|1,0,2]=4 216 B17R2.25461 OC(=O)\C(\S)=C\c1c[nH]c2ccc(F)cc12 Amb20247134 [0,1,0,0,0,0|1,0,2]=4 217 B17R2.37147 CC(=Cc1c[nH]c2c1cccc2C)C(O)=O Amb24082613 [0,1,0,0,0,0|1,0,2]=4 218 B17R2.37147 NC(C(=O)O)Cc1c[nH]c2c1cccc2Br Amb16184008 [0,1,0,0,0,0|0,0,0]=1 219 B17R2.37147 NC(Cc1c[nH]c2c(Cl)cccc21)C(O)=O Amb18157964 [0,1,0,0,0,0|0,0,0]=1 220 B17R2.37147 NC(Cc1c[nH]c2c(F)cccc21)C(O)=O Amb18165822 [0,1,0,0,0,0|0,0,0]=1 221 B17R2.37147 NC(Cc1c[nH]c2c1cccc2O)C(O)=O Amb22491343 [0,1,0,0,0,0|0,0,0]=1 222 B17R2.37147 NC(Cc1c[nH]c2c1cccc2O)C(O)=O Amb24117871 [0,1,0,0,0,0|0,0,0]=1 223 B17R2.37147 N[C@@H](Cc1c[nH]c2c(Br)cccc21)C(O)=O Amb24063188 [0,1,0,0,0,0|0,0,0]=1 224 B17R2.37147 N[C@@H](Cc1c[nH]c2c(Cl)cccc21)C(O)=O Amb22899016 [0,1,0,0,0,0|0,0,0]=1 225 B17R2.37147 N[C@@H](Cc1c[nH]c2c(F)cccc21)C(O)=O Amb22899430 [0,1,0,0,0,0|0,0,0]=1 226 B17R2.37147 N[C@H](Cc1c[nH]c2c(Br)cccc21)C(O)=O Amb24063214 [0,1,0,0,0,0|0,0,0]=1 227 B17R2.37552 NC(Cc1c[nH]c2cccc(Br)c21)C(O)=O Amb18151682 [0,1,0,0,0,0|0,0,0]=1 228 B17R2.37552 NC(Cc1c[nH]c2cccc(O)c21)C(O)=O Amb21964365 [0,1,0,0,0,0|0,0,0]=1 229 B17R2.37552 NC(Cc1c[nH]c2cccc(O)c21)C(O)=O Amb24117187 [0,1,0,0,0,0|0,0,0]=1 230 B17R2.37552 N[C@@H](Cc1c[nH]c2cccc(Br)c21)C(O)=O Amb22745843 [0,1,0,0,0,0|0,0,0]=1 231 B17R2.37552 N[C@@H](Cc1c[nH]c2cccc(O)c21)C(O)=O Amb22745845 [0,1,0,0,0,0|0,0,0]=1 232 B17R2.37552 OC(=O)C(Cc1c[nH]c2c1c(C)ccc2)N Amb16184002 [0,1,0,0,0,0|0,0,0]=1 233 B17R2.45515 OC(=O)C(C(c1c[nH]c2c1cccc2)C)O Amb1099203 [0,1,0,0,0,0|1,0,0]=2 234 B17R2.45515 OC(=O)[C@@H]([C@H](c1c[nH]c2c1cccc2)C)C Amb10604668 [0,1,0,0,0,0|1,0,0]=2 235 B17R2.78536 CC(=O)C(C)Cc1c[n](C)c2ccccc21 Amb18866645 [0,1,0,0,0,0|2,0,0]=3 236 B17R2.78536 CC(=O)N(C)Cc1c[n](C)c2ccccc12 Amb20248511 [0,1,0,0,0,0|3,0,0]=4 237 B17R2.78536 CC(Oc1[n][n](C)c2ccccc21)C(O)=O Amb23560581 [0,1,0,0,0,0|3,0,0]=4 238 B15R1.3664 NC(CCOCc1ccccc1)C(O)=O Amb25857076 [0,0,1,0,0,0|2,0,1]=4 239 B15R1.3664 NC(CNOCc1ccccc1)C(O)=O Amb25293757 [0,0,1,0,0,0|3,0,0]=4 240 B15R1.3664 N[C@@H](CS\C=C/c1ccccc1)C(O)=O Amb22466332 [0,0,1,0,0,0|2,0,0]=3 241 B15R1.3664 OC(=O)[C@@H](CCOCc1ccccc1)N Amb16183869 [0,0,1,0,0,0|2,0,1]=4 242 B15R1.3664 OC(=O)[C@H](CCOCc1ccccc1)N Amb16183871 [0,0,1,0,0,0|2,0,1]=4 243 B15R1.3664 OC(=O)[C@H](CCSCc1ccccc1)N Amb17609042 [0,0,1,0,0,0|2,0,1]=4 244 B15R1.5793 Nc1ccccc1C(=O)CC(N)C(O)=O Amb22002698 [0,0,1,0,0,0|1,0,0]=2 245 B15R1.5793 Nc1ccccc1C(=O)C[13CH]([15NH2])[13C](O)=O Amb22055621 [0,0,1,0,0,0|1,0,0]=2 246 B15R1.5793 Nc1ccccc1C(=O)C[C@@H](N)C(O)=O Amb22745631 [0,0,1,0,0,0|1,0,0]=2 247 B15R1.5793 Nc1ccccc1C(=O)C[C@H](N)C(O)=O Amb22352658 [0,0,1,0,0,0|1,0,0]=2 248 B15R1.5793 OC(=O)C(CC(=O)c1ccccc1C)C Amb10844303 [0,0,1,0,0,0|3,0,0]=4 249 B15R1.5793 OC(=O)C(CC(=O)c1ccccc1Cl)C Amb17247466 [0,0,1,0,0,0|3,0,0]=4 250 B15R1.5793 OC(=O)C(CC(=O)c1ccccc1F)C Amb17240511 [0,0,1,0,0,0|3,0,0]=4 251 B17R3.64991 OC(=O)C1CC1c2c[nH]c3ccccc23 Amb18864332 [0,0,0,1,0,0|1,0,0]=2 252 B17R3.64991 OC(=O)C1CC1c2c[n][n]3ccccc32 Amb23449124 [0,0,0,1,0,0|2,0,1]=4 253 B17R3.64991 OC(=O)C1CC1c2c[s]c3ccccc23 Amb24715211 [0,0,0,1,0,0|2,0,0]=3 254 B17R3.64991 OC(=O)C1CC1c2coc3ccccc23 Amb25302868 [0,0,0,1,0,0|2,0,0]=3 255 B17R3.65033 OC(=O)C1Cc2[n]c3ccccc3[n]2C1 Amb18787097 [0,0,0,1,0,0|2,0,1]=4 256 B17R3.65033 OC(=O)C1Cc2c3ccccc3[nH]c2C1 Amb22235149 [0,0,0,1,0,0|1,0,0]=2 257 B17R3.65033 OC(=O)C=1Cc2c([nH]c3ccccc32)N1 Amb18810851 [0,0,0,1,0,0|0,0,2]=3 258 B17R3.65033 OC(=O)c1cc2[nH]c3ccccc3c2[s]1 Amb18171119 [0,0,0,1,0,0|2,0,1]=4 259 B17R3.65033 OC(=O)c1cc2[nH]c3ccccc3c2o1 Amb18810362 [0,0,0,1,0,0|2,0,1]=4 260 B17R3.65033 OC(=O)c1cc2c([nH]c3ccccc23)[s]1 Amb18769832 [0,0,0,1,0,0|1,0,2]=4 261 B17R3.65033 OC(=O)c1cc2c([nH]c3ccccc23)o1 Amb18810363 [0,0,0,1,0,0|1,0,2]=4 262 B15R2.1255 C=C(C(N)=O)c1c[nH]c2ccccc12 Amb24728564 [0,0,0,0,1,0|2,0,1]=4 263 B15R2.1255 C=C(C(O)=O)c1c[nH]c2ccccc12 Amb18564416 [0,0,0,0,1,0|1,0,1]=3 264 B15R2.1255 CC(=C)C(C)c1c[nH]c2ccccc12 Amb25779188 [0,0,0,0,1,0|3,0,0]=4 265 B15R2.1255 CC(=O)C(=O)c1c[nH]c2ccccc21 Amb18564417 [0,0,0,0,1,0|2,0,1]=4 266 B15R2.1255 CC(C(=O)Cl)c1c[nH]c2[n]cccc12 Amb25772894 [0,0,0,0,1,0|3,0,0]=4 267 B15R2.1255 CC(C(C)O)c1c[nH]c2ccccc21 Amb24756603 [0,0,0,0,1,0|2,0,1]=4 268 B15R2.1255 CC(C(O)=O)C1=CCc2ccccc12 Amb24498253 [0,0,0,0,1,0|2,0,0]=3 269 B15R2.1255 CC(C(O)=O)c1[n][s]c2ccccc21 Amb24728366 [0,0,0,0,1,0|3,0,0]=4 270 B15R2.1255 CC(C(O)=O)c1[n]oc2ccccc21 Amb25108670 [0,0,0,0,1,0|3,0,0]=4 271 B15R2.1255 CC(C(O)=O)c1c[nH]c2[n]cccc12 Amb20242262 [0,0,0,0,1,0|2,0,0]=3 272 B15R2.1255 CC(C(O)=O)c1c[nH]c2ccccc12 Amb18564575 [0,0,0,0,1,0|1,0,0]=2 273 B15R2.1255 CC(C(O)=O)c1c[s]c2ccccc12 Amb25198652 [0,0,0,0,1,0|2,0,0]=3 274 B15R2.1255 CC(C)C(N)c1c[nH]c2ccccc12 Amb18561500 [0,0,0,0,1,0|2,0,1]=4 275 B15R2.1255 CC(C)[C@H](N)c1c[nH]c2ccccc12 Amb25326366 [0,0,0,0,1,0|2,0,1]=4 276 B15R2.1255 CC(O)C(N)c1c[nH]c2[n]cccc21 Amb24392949 [0,0,0,0,1,0|2,0,1]=4 277 B15R2.1255 CC(O)C(N)c1c[s]c2ccccc21 Amb25252926 [0,0,0,0,1,0|2,0,1]=4 278 B15R2.1255 CC(O)C(O)c1c[nH]c2ccccc21 Amb24739390 [0,0,0,0,1,0|2,0,1]=4 279 B15R2.1255 CC(O)[C@@H](N)c1c[nH]c2ccccc21 Amb25800754 [0,0,0,0,1,0|1,0,1]=3 280 B15R2.1255 CC(O)[C@H](N)c1c[s]c2ccccc21 Amb25842409 [0,0,0,0,1,0|2,0,1]=4 281 B15R2.1255 C[C@@H](C(O)=O)c1c[nH]c2ccccc12 Amb25765799 [0,0,0,0,1,0|1,0,0]=2 282 B15R2.1255 C[C@@H](C(O)=O)c1c[s]c2ccccc12 Amb24395611 [0,0,0,0,1,0|2,0,0]=3 283 B15R2.1255 C[C@@H](O)[C@@H](N)c1c[nH]c2[n]cccc21 Amb24349794 [0,0,0,0,1,0|2,0,1]=4 284 B15R2.1255 C[C@@H](O)[C@@H](N)c1c[s]c2ccccc21 Amb25377031 [0,0,0,0,1,0|2,0,1]=4 285 B15R2.1255 C[C@@H](O)[C@@H](N)c1coc2ccccc21 Amb24379689 [0,0,0,0,1,0|2,0,1]=4 286 B15R2.1255 C[C@@H](O)[C@H](N)c1coc2ccccc21 Amb25703137 [0,0,0,0,1,0|2,0,1]=4 287 B15R2.1255 C[C@H](C(O)=O)c1c[nH]c2ccccc12 Amb25708527 [0,0,0,0,1,0|1,0,0]=2 288 B15R2.1255 C[C@H](O)[C@@H](N)c1c[nH]c2ccccc21 Amb25111986 [0,0,0,0,1,0|1,0,1]=3 289 B15R2.1255 C[C@H](O)[C@@H](N)c1coc2ccccc21 Amb25839380 [0,0,0,0,1,0|2,0,1]=4 290 B15R2.1255 C[C@H](O)[C@H](N)c1c[nH]c2ccccc21 Amb25814450 [0,0,0,0,1,0|1,0,1]=3 291 B15R2.1255 C[C@H](O)[C@H](N)c1c[s]c2ccccc21 Amb25713795 [0,0,0,0,1,0|2,0,1]=4 292 B15R2.1255 C[C@H](O)[C@H](N)c1coc2ccccc21 Amb24460713 [0,0,0,0,1,0|2,0,1]=4 293 B15R2.1255 C[C@H]([C@@H](C)O)c1c[nH]c2ccccc21 Amb25689535 [0,0,0,0,1,0|2,0,1]=4 294 B15R2.1255 C[C@H]([C@H](C)O)c1c[nH]c2ccccc21 Amb24441667 [0,0,0,0,1,0|2,0,1]=4 295 B15R2.1255 NC(=O)C(N)c1[n]oc2ccccc21 Amb25181816 [0,0,0,0,1,0|3,0,0]=4 296 B15R2.1255 NC(=O)C(N)c1c[nH]c2ccccc12 Amb25164435 [0,0,0,0,1,0|1,0,0]=2 297 B15R2.1255 NC(=O)C(N)c1c[s]c2ccccc12 Amb18286970 [0,0,0,0,1,0|2,0,0]=3 298 B15R2.1255 NC(=O)C(c1c[nH]c2c1cccc2)O Amb17594954 [0,0,0,0,1,0|2,0,0]=3 299 B15R2.1255 NC(C(F)F)c1c[nH]c2ccccc12 Amb25775346 [0,0,0,0,1,0|2,0,1]=4 300 B15R2.1255 NC(C(O)=O)[n]1ccc2ccccc12 Amb24710384 [0,0,0,0,1,0|2,0,0]=3 301 B15R2.1255 NC(C(O)=O)c1[n]cc2cccc[n]21 Amb25170165 [0,0,0,0,1,0|3,0,0]=4 302 B15R2.1255 NC(C(O)=O)c1[n]oc2ccccc21 Amb23597964 [0,0,0,0,1,0|2,0,0]=3 303 B15R2.1255 NC(C(O)=O)c1c[n][n]2[n]cccc21 Amb25186008 [0,0,0,0,1,0|2,0,1]=4 304 B15R2.1255 NC(C(O)=O)c1coc2ccccc12 Amb25328322 [0,0,0,0,1,0|1,0,0]=2 305 B15R2.1255 NC(C1CCc2ccccc21)C(O)=O Amb20171617 [0,0,0,0,1,0|1,0,2]=4 306 B15R2.1255 NC(C1CNc2[n]cccc21)C(O)=O Amb25043746 [0,0,0,0,1,0|1,0,2]=4 307 B15R2.1255 NC(c1c[nH]c2c1cccn2)C(=O)O Amb17608609 [0,0,0,0,1,0|1,0,0]=2 308 B15R2.1255 N[C@@H](C1CCc2ccccc21)C(O)=O Amb24087702 [0,0,0,0,1,0|1,0,2]=4 309 B15R2.1255 N[C@H](C(O)=O)C=1CN=C2N=CC=CC21 Amb25075692 [0,0,0,0,1,0|1,0,2]=4 310 B15R2.1255 N[C@H](C(O)=O)[n]1ccc2ccccc12 Amb25747522 [0,0,0,0,1,0|2,0,0]=3 311 B15R2.1255 N[C@H](C(O)=O)c1c[nH]c2[n]cccc12 Amb24715472 [0,0,0,0,1,0|1,0,0]=2 312 B15R2.1255 N[C@H](C(O)=O)c1coc2ccccc12 Amb24376466 [0,0,0,0,1,0|1,0,0]=2 313 B15R2.1255 OC(=O)C(=O)c1c[nH]c2c1cccc2 Amb2099581 [0,0,0,0,1,0|1,0,1]=3 314 B15R2.1255 OC(=O)C(=O)c1c[nH]c2c1nccc2 Amb16233687 [0,0,0,0,1,0|2,0,1]=4 315 B15R2.1255 OC(=O)C(=O)c1c[nH]c2c[n]ccc21 Amb25108119 [0,0,0,0,1,0|2,0,1]=4 316 B15R2.1255 OC(=O)C(=O)c1c[nH]c2cc[n]cc21 Amb25362196 [0,0,0,0,1,0|2,0,1]=4 317 B15R2.1255 OC(=O)C(=O)c1coc2ccccc21 Amb18819855 [0,0,0,0,1,0|2,0,1]=4 318 B15R2.1255 OC(=O)C(Br)c1[n][s]c2ccccc21 Amb18137411 [0,0,0,0,1,0|3,0,0]=4 319 B15R2.1255 OC(=O)C(Br)c1[n]oc2ccccc21 Amb18137167 [0,0,0,0,1,0|3,0,0]=4 320 B15R2.1255 OC(=O)C(Cl)c1[n]oc2ccccc21 Amb18657153 [0,0,0,0,1,0|3,0,0]=4 321 B15R2.1255 OC(=O)C(Cl)c1c[nH]c2ccccc12 Amb18568963 [0,0,0,0,1,0|1,0,0]=2 322 B15R2.1255 OC(=O)C(O)C1C=Cc2ccccc21 Amb25100976 [0,0,0,0,1,0|2,0,1]=4 323 B15R2.1255 OC(=O)C(O)c1c[nH]c2ccccc12 Amb18818967 [0,0,0,0,1,0|1,0,0]=2 324 B15R2.1255 OC(=O)C(O)c1c[s]c2ccccc12 Amb18963400 [0,0,0,0,1,0|2,0,0]=3 325 B15R2.1255 OC(=O)C(n1cnc2c1cccc2)C Amb1099031 [0,0,0,0,1,0|2,0,1]=4 326 B15R2.1255 OC(=O)[C@@H](O)c1coc2ccccc12 Amb24365897 [0,0,0,0,1,0|2,0,0]=3 327 B15R2.1255 OC(=O)[C@H](O)c1c[s]c2ccccc12 Amb25733066 [0,0,0,0,1,0|2,0,0]=3 328 B15R2.1255 OC(=O)\C(=C\1/C=Cc2c1cccc2)\O Amb16226247 [0,0,0,0,1,0|2,0,1]=4 329 B15R2.1255 [O-]C(=O)C(=O)c1c[nH]c2ccccc21 Amb22467304 [0,0,0,0,1,0|1,0,2]=4 330 B15R2.27973 NC(Cc1c[nH]c2cc[s]c21)C(O)=O Amb18773957 [0,0,0,0,1,0|1,0,0]=2 331 B15R2.27973 NC(Cc1c[nH]c2ccoc21)C(O)=O Amb25054773 [0,0,0,0,1,0|1,0,0]=2 332 B15R2.107888 CC(CC1Cc2ccccc21)C(O)=O Amb25181777 [0,0,0,0,1,0|1,0,2]=4 333 B15R2.107888 NC(=O)C(N)CC1Cc2ccccc21 Amb25726204 [0,0,0,0,1,0|1,0,2]=4 334 B15R2.107888 N[C@@H](CC1Cc2ccccc21)C(O)=O Amb25141684 [0,0,0,0,1,0|0,0,2]=3 335 B15R2.107888 N[C@H](CC1Cc2ccccc21)C(O)=O Amb25193142 [0,0,0,0,1,0|0,0,2]=3 336 B17R2.16 CC(NCc1c[s]c2ccccc21)C(O)=O Amb18313695 [0,0,0,0,0,1|2,0,0]=3 337 B17R2.16 OC(=O)C(CCc1c[nH]c2c1cccc2)N Amb16192931 [0,0,0,0,0,1|0,0,0]=1 338 B17R2.39 CC(Cc1c[nH]c2ccccc12)CC(O)=O Amb18171185 [0,0,0,0,0,1|1,0,0]=2 339 B17R2.39 CN(Cc1c[nH]c2ccccc12)CC(O)=O Amb18226110 [0,0,0,0,0,1|2,0,0]=3 340 B17R2.39 NC(Cc1c[nH]c2ccccc12)CC(O)=O Amb18226109 [0,0,0,0,0,1|0,0,0]=1 341 B17R2.39 NC(Cc1c[n]c2cccc[n]12)CC(O)=O Amb18168509 [0,0,0,0,0,1|1,0,1]=3 342 B17R2.39 N[C@@H](Cc1c[nH]c2ccccc12)CC(O)=O Amb22352952 [0,0,0,0,0,1|0,0,0]=1 343 B17R2.39 N[C@@H](Cc1csc2c1cccc2)CC(=O)O Amb10603270 [0,0,0,0,0,1|1,0,0]=2 344 B17R2.9167 NC(Cc1cc2ccccc2[n]c1)C(O)=O Amb22799637 [0,0,0,0,0,1|0,0,1]=2 345 B17R2.9167 N[C@@H](Cc1cc2[n]cc[n]c2cc1)C(O)=O Amb24085301 [0,0,0,0,0,1|3,0,0]=4 346 B17R2.9167 N[C@@H](Cc1cc2ccccc2[n]c1)C(O)=O Amb19373980 [0,0,0,0,0,1|0,0,1]=2 347 B17R2.9167 N[C@H](Cc1cc2ccccc2cc1)C(O)=O Amb19930508 [0,0,0,0,0,1|1,0,0]=2 348 B17R2.9167 OC(=O)C(=O)Cc1ccc2c(c1)cccc2 Amb1132935 [0,0,0,0,0,1|2,0,1]=4 349 B17R2.9167 OC(=O)C(=O)Cc1ccc2c(n1)cccc2 Amb232173 [0,0,0,0,0,1|2,0,1]=4 350 B17R2.9167 OC(=O)C(Cc1ccc2c(n1)cccc2)C Amb17579671 [0,0,0,0,0,1|2,0,0]=3 351 B17R2.9167 OC(=O)C(Sc1cnc2c(n1)cccc2)C Amb2417289 [0,0,0,0,0,1|2,0,1]=4 352 B17R2.520754 CC(Cc1cccc2ccccc21)C(O)=O Amb20224016 [0,0,0,0,0,1|2,0,0]=3 353 B17R2.520754 CC(Nc1[n]ccc2ccccc21)C(O)=O Amb19098711 [0,0,0,0,0,1|3,0,0]=4 354 B17R2.520754 CC(Nc1ncnc2ccccc12)C(O)=O Amb17740099 [0,0,0,0,0,1|2,0,1]=4 355 B17R2.520754 C[C@H](Oc1cccc2ccccc12)C(O)=O Amb17943615 [0,0,0,0,0,1|3,0,0]=4 356 B17R2.520754 NC(CN1CCCc2ccccc12)C(O)=O Amb18981874 [0,0,0,0,0,1|2,0,1]=4 357 B17R2.520754 NC(Cc1[n]ccc2ccccc21)C(O)=O Amb22353139 [0,0,0,0,0,1|1,0,0]=2 358 B17R2.520754 N[C@@H](Cc1[n]c[n]c2ccccc21)C(O)=O Amb19373978 [0,0,0,0,0,1|0,0,1]=2 359 B17R2.520754 N[C@@H](Cc1cccc2c[n]ccc21)C(O)=O Amb19373976 [0,0,0,0,0,1|2,0,0]=3 360 B17R2.520754 N[C@@H](Cc1cccc2ccc[n]c21)C(O)=O Amb24085303 [0,0,0,0,0,1|2,0,0]=3 361 B17R2.520754 N[C@H](Cc1cccc2ccccc21)C(O)=O Amb19930509 [0,0,0,0,0,1|1,0,0]=2 362 B17R2.520754 OC(=O)C(=O)Cc1cccc2c1cccc2 Amb1138673 [0,0,0,0,0,1|2,0,1]=4 363 B17R2.520754 OC(=O)C(Br)Cc1cccc2ccccc21 Amb23320615 [0,0,0,0,0,1|2,0,0]=3 364 B17R2.520754 OC(=O)C(Nc1ncnc2c1cccc2)C Amb2554314 [0,0,0,0,0,1|2,0,1]=4 365 B17R2.520754 OC(=O)C(Sc1ncnc2c1cccc2)C Amb1349938 [0,0,0,0,0,1|2,0,1]=4 366 B17R2.520754 OC(=O)[C@H](Oc1cccc2c1cccc2)C Amb16226256 [0,0,0,0,0,1|3,0,0]=4 367 B14R1.161 CC(CNc1ccccc1N)C(O)=O Amb18651898 [1,0,1,0,0,0|2,0,0]=4 368 B14R1.161 Cc1ccccc1NCC(N)C(O)=O Amb24345651 [1,0,1,0,0,0|1,0,1]=4 369 B14R1.161 NC(CNc1ccccc1Br)C(O)=O Amb25204064 [1,0,1,0,0,0|2,0,0]=4 370 B14R1.161 NC(CNc1ccccc1Cl)C(O)=O Amb25169853 [1,0,1,0,0,0|2,0,0]=4 371 B14R1.161 NC(CNc1ccccc1F)C(O)=O Amb24454221 [1,0,1,0,0,0|2,0,0]=4 372 B14R1.161 Nc1ccccc1NCC(N)C(O)=O Amb24563418 [1,0,1,0,0,0|1,0,0]=3 373 B14R1.161 Nc1ccccc1SCC(N)C(O)=O Amb22466326 [1,0,1,0,0,0|1,0,0]=3 374 B14R1.161 OC(=O)C(CCc1ccccc1Br)N Amb17473600 [1,0,1,0,0,0|1,0,1]=4 375 B14R1.161 OC(=O)C(CCc1ccccc1C)N Amb17470839 [1,0,1,0,0,0|0,0,2]=4 376 B14R1.161 OC(=O)C(CCc1ccccc1Cl)N Amb17471477 [1,0,1,0,0,0|1,0,1]=4 377 B14R1.161 OC(=O)C(CCc1ccccc1F)N Amb17470953 [1,0,1,0,0,0|1,0,1]=4 378 B14R1.415 CC(C[C@@H](N)C(O)=O)c1ccccc1 Amb17933184 [1,0,1,0,0,0|0,0,2]=4 379 B14R1.415 CN(CC(N)C(O)=O)c1ccccc1 Amb19079990 [1,0,1,0,0,0|1,0,1]=4 380 B14R1.415 NC(C(=O)O)CC(=O)c1ccccc1 Amb17470829 [1,0,1,0,0,0|1,0,0]=3 381 B14R1.415 N[C@@H](CC(=O)c1ccccc1)C(O)=O Amb23403688 [1,0,1,0,0,0|1,0,0]=3 382 B14R1.415 OC(=O)C(O)CC(=O)c1ccccc1 Amb18651699 [1,0,1,0,0,0|2,0,0]=4 383 B14R1.415 O[C@H](C(=O)O)CC(=O)c1ccccc1 Amb17615662 [1,0,1,0,0,0|2,0,0]=4 384 B14R1.422 OC(=O)CCC\C=C\c1ccccc1 Amb17619337 [1,0,1,0,0,0|1,0,1]=4 385 B14R1.422 OC(=O)CCSC=Cc1ccccc1 Amb24078637 [1,0,1,0,0,0|2,0,0]=4 386 B14R1.160 Nc1ccccc1C(=O)CCC(O)=O Amb22229453 [1,0,1,0,0,0|1,0,0]=3 387 B14R1.160 OC(=O)CCC(=O)c1ccccc1O Amb18651666 [1,0,1,0,0,0|2,0,0]=4 388 B14R2.2 C=C(Cl)Cc1c[nH]c2ccccc21 Amb24489053 [2,0,0,0,0,0|1,0,1]=4 389 B14R2.2 CC(Cc1c[nH]c2c1cccc2)N Amb10789134 [2,0,0,0,0,0|0,0,1]=3 390 B14R2.2 CC(Cc1c[nH]c2c1cccc2)N Amb16234004 [2,0,0,0,0,0|0,0,1]=3 391 B14R2.2 CC(Cc1csc2c1cccc2)N Amb2237287 [2,0,0,0,0,0|1,0,1]=4 392 B14R2.2 CC(N)Cc1[n][nH]c2ccccc21 Amb24410676 [2,0,0,0,0,0|1,0,1]=4 393 B14R2.2 CC(N)Cc1c[nH]c2ccccc21 Amb22734954 [2,0,0,0,0,0|0,0,1]=3 394 B14R2.2 CC(N)Cc1coc2ccccc21 Amb24617524 [2,0,0,0,0,0|1,0,1]=4 395 B14R2.2 CC(O)Cc1[n][nH]c2ccccc21 Amb24396951 [2,0,0,0,0,0|2,0,0]=4 396 B14R2.2 CC(O)Cc1c[nH]c2ccccc21 Amb23443844 [2,0,0,0,0,0|1,0,0]=3 397 B14R2.2 CN(N)Cc1c[nH]c2ccccc21 Amb25192206 [2,0,0,0,0,0|1,0,1]=4 398 B14R2.2 CN(O)Cc1c[nH]c2ccccc21 Amb25835195 [2,0,0,0,0,0|2,0,0]=4 399 B14R2.2 C[C@@H](N)Cc1c[nH]c2ccccc21 Amb18197539 [2,0,0,0,0,0|0,0,1]=3 400 B14R2.2 C[C@H](N)Cc1c[nH]c2[n]cccc21 Amb24428186 [2,0,0,0,0,0|1,0,1]=4 401 B14R2.2 C[C@H](O)Cc1c[nH]c2ccccc21 Amb25349672 [2,0,0,0,0,0|1,0,0]=3 402 B14R2.2 ClC(=O)Cc1c[nH]c2ccccc12 Amb17940509 [2,0,0,0,0,0|1,0,1]=4 403 B14R2.2 NC(=O)Cc1c[nH]c2c1cccc2 Amb1218067 [2,0,0,0,0,0|0,0,1]=3 404 B14R2.2 NC(=O)Cc1c[nH]c2c[n]ccc21 Amb25289774 [2,0,0,0,0,0|1,0,1]=4 405 B14R2.2 NC(=O)Cc1c[s]c2ccccc21 Amb25322207 [2,0,0,0,0,0|1,0,1]=4 406 B14R2.2 NC(=O)Cc1coc2ccccc21 Amb22039467 [2,0,0,0,0,0|1,0,1]=4 407 B14R2.2 OC(=O)Cc1c[nH]c2c1cccc2 Amb10809883 [2,0,0,0,0,0|1,0,1]=4 408 B14R2.2 OC(=O)Cc1c[nH]c2c1cccc2 Amb1645601 [2,0,0,0,0,0|1,0,1]=4 409 B14R2.2 OC(=S)Cc1c[nH]c2ccccc21 Amb22732195 [2,0,0,0,0,0|1,0,1]=4 410 B14R2.2 OS(=O)Cc1c[nH]c2ccccc21 Amb25838270 [2,0,0,0,0,0|2,0,0]=4 411 B14R2.2 [O-]C(=O)Cc1c[nH]c2ccccc21 Amb21858178 [2,0,0,0,0,0|1,0,1]=4 412 B14R2.3 BrCCCc1c[nH]c2ccccc12 Amb17673976 [2,0,0,0,0,0|1,0,1]=4 413 B14R2.3 BrNCCc1c[nH]c2ccccc12 Amb24664831 [2,0,0,0,0,0|2,0,0]=4 414 B14R2.3 C=CCCc1c[nH]c2ccccc12 Amb24738552 [2,0,0,0,0,0|1,0,0]=3 415 B14R2.3 C=CCCc1c[s]c2ccccc12 Amb25363805 [2,0,0,0,0,0|2,0,0]=4 416 B14R2.3 COCCc1c[nH]c2ccccc12 Amb24488917 [2,0,0,0,0,0|2,0,0]=4 417 B14R2.3 C\C=C\Cc1c[nH]c2ccccc21 Amb24382136 [2,0,0,0,0,0|1,0,1]=4 418 B14R2.3 ClCCCc1c[nH]c2ccccc21 Amb24426278 [2,0,0,0,0,0|1,0,1]=4 419 B14R2.3 N#CCCc1c[nH]c2c1cccc2 Amb1814192 [2,0,0,0,0,0|1,0,1]=4 420 B14R2.3 NCCCc1c[nH]c2c1cccc2 Amb2235168 [2,0,0,0,0,0|1,0,1]=4 421 B14R2.3 NNCCc1c[nH]c2c1cccc2 Amb10844959 [2,0,0,0,0,0|2,0,0]=4 422 B14R2.3 NNCCc1c[nH]c2ccccc12 Amb24060798 [2,0,0,0,0,0|2,0,0]=4 423 B14R2.3 O=C=NCc1c[nH]c2ccccc21 Amb18065488 [2,0,0,0,0,0|1,0,1]=4 424 B14R2.3 O=CCC[n]1c[n]c2ccccc12 Amb18178104 [2,0,0,0,0,0|1,0,1]=4 425 B14R2.3 O=CCCn1ccc2c1cccc2 Amb17074399 [2,0,0,0,0,0|2,0,0]=4 426 B14R2.3 O=C\C=C\c1c[nH]c2ccccc21 Amb18126777 [2,0,0,0,0,0|0,0,2]=4 427 B14R2.3 OCCCC1=CCc2ccccc12 Amb24495044 [2,0,0,0,0,0|1,0,1]=4 428 B14R2.3 OCCCc1[n][nH]c2ccccc21 Amb24612243 [2,0,0,0,0,0|1,0,1]=4 429 B14R2.3 OCCCc1c[s]c2ccccc21 Amb25138282 [2,0,0,0,0,0|1,0,1]=4 430 B14R2.3 O\N=C/Cc1c[nH]c2c1cccc2 Amb10068679 [2,0,0,0,0,0|1,0,1]=4 431 B14R2.3 [C-]#[N+]CCc1c[nH]c2c1cccc2 Amb10844950 [2,0,0,0,0,0|2,0,0]=4 432 B16R1.4122 N[C@H](CC(=O)NCc1ccccc1)C(O)=O Amb25268403 [0,1,1,0,0,0|2,0,0]=4 433 B16R1.4132 NC(CCC(=O)Nc1ccccc1)C(O)=O Amb22350170 [0,1,1,0,0,0|0,0,1]=3 434 B16R1.11263 Nc1c(cccc1O)C(=O)CC(N)C(O)=O Amb18134507 [0,1,1,0,0,0|1,0,0]=3 435 B16R1.11263 Nc1c(cccc1O)C(=O)C[13CH]([15NH2])[13C](O)=O Amb22055452 [0,1,1,0,0,0|1,0,0]=3 436 B16R1.11263 Nc1c(cccc1O)C(=O)C[C@@H](N)C(O)=O Amb22750713 [0,1,1,0,0,0|1,0,0]=3 437 B16R1.11441 Nc1cc(Cl)ccc1C(=O)CC(N)C(O)=O Amb22054697 [0,1,1,0,0,0|1,0,0]=3 438 B16R1.11441 Nc1cc(Cl)ccc1C(=O)C[13CH]([15NH2])[13C](O)=O Amb22054698 [0,1,1,0,0,0|1,0,0]=3 439 B16R1.11441 OC(=O)C(CC(=O)c1ccc(cc1C)C)N Amb17471813 [0,1,1,0,0,0|2,0,0]=4 440 B16R1.11443 Cc1ccc(cc1C(=O)CC(C(=O)O)N)C Amb17471808 [0,1,1,0,0,0|2,0,0]=4 441 B16R1.11443 NC(C(=O)O)CC(=O)c1cc(F)ccc1F Amb17472171 [0,1,1,0,0,0|2,0,0]=4 442 B16R2.3 CC(C)(Cc1c[s]c2ccccc21)C=O Amb24711646 [1,1,0,0,0,0|2,0,0]=4 443 B16R2.4 CNC(Cc1c[nH]c2ccccc21)CC Amb18864698 [1,1,0,0,0,0|1,0,1]=4 444 B16R2.5 CNCC(Cc1c[nH]c2c1cccc2)N Amb16210609 [1,1,0,0,0,0|1,0,1]=4 445 B16R2.14 CCC(=O)CCc1c[nH]c2ccccc12 Amb18864389 [1,1,0,0,0,0|1,0,0]=3 446 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 Amb16867045 [1,1,0,0,0,0|2,0,0]=4 447 B16R2.14 COC(=O)CCc1c[nH]c2c1cccc2 Amb1969740 [1,1,0,0,0,0|0,0,0]=2 448 B16R2.14 COC(=O)\C=C\c1c[nH]c2ccccc12 Amb19959190 [1,1,0,0,0,0|0,0,2]=4 449 B16R2.14 NCC(=O)NCc1c[nH]c2ccccc21 Amb18895014 [1,1,0,0,0,0|2,0,0]=4 450 B16R2.14 NNC(=O)CCc1c[nH]c2c1cccc2 Amb2582839 [1,1,0,0,0,0|1,0,0]=3 451 B16R2.520 CC(=O)CC(=O)c1c[nH]c2c1cccc2 Amb1795330 [1,1,0,0,0,0|1,0,1]=4 452 B16R2.520 CC(=O)CC(c1c[nH]c2c1cccc2)C Amb17063433 [1,1,0,0,0,0|1,0,0]=3 453 B16R2.520 C\C(=C/C(O)=O)\c1c[nH]c2ccccc21 Amb18063547 [1,1,0,0,0,0|0,0,2]=4 454 B16R2.520 NC(=O)CC(N)c1c[s]c2ccccc12 Amb18995287 [1,1,0,0,0,0|2,0,0]=4 455 B16R2.520 NC(=O)CC(N)c1coc2ccccc12 Amb25049610 [1,1,0,0,0,0|2,0,0]=4 456 B16R2.520 NC(=O)C[C@@H](N)c1coc2ccccc12 Amb24413522 [1,1,0,0,0,0|2,0,0]=4 457 B16R2.520 NC(CC(O)=O)c1c[s]c2ccccc12 Amb18995286 [1,1,0,0,0,0|1,0,0]=3 458 B16R2.520 N[C@@H](CC(O)=O)c1c[nH]c2ccccc12 Amb22388643 [1,1,0,0,0,0|0,0,0]=2 459 B16R2.520 N[C@H](CC(O)=O)c1c[nH]c2ccccc12 Amb24056151 [1,1,0,0,0,0|0,0,0]=2 460 B16R2.520 OC(=O)CC(O)c1c[nH]c2ccccc12 Amb18783387 [1,1,0,0,0,0|0,0,0]=2 461 B16R2.520 OC(=O)CC(n1cnc2c1cccc2)C Amb2570630 [1,1,0,0,0,0|1,0,1]=4 462 B16R2.2947 CC(C)(O)CCc1c[nH]c2ccccc12 Amb18864863 [1,1,0,0,0,0|1,0,1]=4 463 B16R2.2947 O=S(=O)(Cl)CCc1c[nH]c2ccccc12 Amb18229563 [1,1,0,0,0,0|1,0,1]=4 464 B16R2.2976 CC(=O)CCc1c[nH]c2[n]c(Cl)ccc12 Amb24087790 [1,1,0,0,0,0|2,0,0]=4 465 B16R2.2976 CC(=O)CCc1c[nH]c2c1ccc(c2)Br Amb17063427 [1,1,0,0,0,0|1,0,0]=3 466 B16R2.2976 CC(=O)CCc1c[nH]c2c1ccc(c2)C Amb17063416 [1,1,0,0,0,0|1,0,0]=3 467 B16R2.2976 CC(=O)CCc1c[nH]c2c1ccc(c2)Cl Amb17063424 [1,1,0,0,0,0|1,0,0]=3 468 B16R2.2976 CC(=O)CCc1c[nH]c2c1ccc(c2)F Amb17063420 [1,1,0,0,0,0|1,0,0]=3 469 B16R2.2976 OC(=O)CCC1CNc2cc(Br)ccc21 Amb18560677 [1,1,0,0,0,0|0,0,2]=4 470 B16R2.2976 OC(=O)CCC1CNc2cc(Cl)ccc21 Amb18560676 [1,1,0,0,0,0|0,0,2]=4 471 B16R2.2976 OC(=O)CCC1CNc2cc(F)ccc21 Amb18063355 [1,1,0,0,0,0|0,0,2]=4 472 B16R2.2976 OC(=O)CC[n]1ccc2cc(Cl)ccc12 Amb18245278 [1,1,0,0,0,0|2,0,0]=4 473 B16R2.2976 OC(=O)CC[n]1ccc2cc(F)ccc12 Amb18895719 [1,1,0,0,0,0|2,0,0]=4 474 B16R2.2976 OC(=O)CCc1c[nH]c2c1ccc(c2)Br Amb17063358 [1,1,0,0,0,0|0,0,0]=2 475 B16R2.2976 OC(=O)CCc1c[nH]c2c1ccc(c2)C Amb17063347 [1,1,0,0,0,0|0,0,0]=2 476 B16R2.2976 OC(=O)CCc1c[nH]c2c1ccc(c2)Cl Amb17063355 [1,1,0,0,0,0|0,0,0]=2 477 B16R2.2976 OC(=O)CCc1c[nH]c2c1ccc(c2)F Amb17063351 [1,1,0,0,0,0|0,0,0]=2 478 B16R2.2976 OC(=O)CCc1c[n]c2cc(Cl)cc[n]12 Amb18106750 [1,1,0,0,0,0|1,0,1]=4 479 B16R2.2976 OC(=O)CCc1cnc2n1ccc(c2)C Amb17127698 [1,1,0,0,0,0|1,0,1]=4 480 B16R2.2976 OC(=O)CCn1ccc2c1ccc(c2)C Amb16187224 [1,1,0,0,0,0|2,0,0]=4 481 B16R2.2976 OC(=O)\C=C\c1c[nH]c2c1ccc(c2)Br Amb17063372 [1,1,0,0,0,0|0,0,2]=4 482 B16R2.2976 OC(=O)\C=C\c1c[nH]c2c1ccc(c2)Cl Amb17063368 [1,1,0,0,0,0|0,0,2]=4 483 B16R2.4003 CC(=O)CCc1c(I)[nH]c2ccccc12 Amb24082400 [1,1,0,0,0,0|1,0,0]=3 484 B16R2.4003 Cc1[nH+]c2ccccc2[n]1CCC(O)=O Amb19914724 [1,1,0,0,0,0|1,0,1]=4 485 B16R2.4003 Cc1[nH]c2ccccc2c1CCC(C)=O Amb18864392 [1,1,0,0,0,0|1,0,0]=3 486 B16R2.4003 Cc1[n][n]2ccccc2c1CCC(O)=O Amb18864943 [1,1,0,0,0,0|1,0,1]=4 487 B16R2.4003 Cc1[n]c2cccc[n]2c1CCC(O)=O Amb17991252 [1,1,0,0,0,0|1,0,1]=4 488 B16R2.4003 Cc1c(CCC(=O)O)c2c([nH]1)nccc2 Amb13885074 [1,1,0,0,0,0|1,0,0]=3 489 B16R2.4003 Cc1cc2cccc[n]2c1CCC(O)=O Amb18560930 [1,1,0,0,0,0|2,0,0]=4 490 B16R2.4003 Cc1oc2ccccc2c1CCC(O)=O Amb25140532 [1,1,0,0,0,0|1,0,0]=3 491 B16R2.4003 NC(=O)CCc1c(C)[nH]c2c1cccc2 Amb1804517 [1,1,0,0,0,0|1,0,0]=3 492 B16R2.4003 OC(=O)CCN1C(=S)Oc2ccccc12 Amb19772558 [1,1,0,0,0,0|2,0,0]=4 493 B16R2.4003 OC(=O)CCN1c2[n]cccc2NC1=O Amb18255148 [1,1,0,0,0,0|2,0,0]=4 494 B16R2.4003 OC(=O)CCN1c2ccccc2NC1=O Amb18540823 [1,1,0,0,0,0|1,0,0]=3 495 B16R2.4003 OC(=O)CCN1c2ccccc2OC1=O Amb17988705 [1,1,0,0,0,0|2,0,0]=4 496 B16R2.4003 OC(=O)CCN1c2ccccc2SC1=O Amb19205174 [1,1,0,0,0,0|2,0,0]=4 497 B16R2.4003 OC(=O)CCc1c(C)[nH]c2c1cccc2 Amb1797059 [1,1,0,0,0,0|0,0,0]=2 498 B16R2.4003 OC(=O)CCn1c(=O)oc2c1cccc2 Amb1215064 [1,1,0,0,0,0|2,0,0]=4 499 B16R2.4003 OC(=O)CCn1c(=O)sc2c1cccc2 Amb1419295 [1,1,0,0,0,0|2,0,0]=4 500 B16R2.4003 OC(=O)CCn1c(C)cc2c1cccc2 Amb1971460 [1,1,0,0,0,0|2,0,0]=4 501 B16R2.4003 OC(=O)CCn1c(C)nc2c1cccc2 Amb1760925 [1,1,0,0,0,0|1,0,1]=4 502 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(C)cc2 Amb17063415 [1,1,0,0,0,0|1,0,0]=3 503 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(Cl)cc2 Amb17063423 [1,1,0,0,0,0|1,0,0]=3 504 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(F)cc2 Amb17063419 [1,1,0,0,0,0|1,0,0]=3 505 B16R2.15551 Cc1cc2C(CNc2cc1)CCC(O)=O Amb18063013 [1,1,0,0,0,0|0,0,2]=4 506 B16R2.15551 Cc1cc2c(CCC(=O)O)c[nH]c2cc1 Amb17063346 [1,1,0,0,0,0|0,0,0]=2 507 B16R2.15551 Cc1cc2c(CCC(=O)O)noc2cc1 Amb17040416 [1,1,0,0,0,0|2,0,0]=4 508 B16R2.15551 Cc1cn2c(CCC(=O)O)cnc2cc1 Amb17127697 [1,1,0,0,0,0|1,0,1]=4 509 B16R2.15551 OC(=O)CCC1CNc2ccc(Br)cc21 Amb18063018 [1,1,0,0,0,0|0,0,2]=4 510 B16R2.15551 OC(=O)CCC1CNc2ccc(Cl)cc21 Amb18560675 [1,1,0,0,0,0|0,0,2]=4 511 B16R2.15551 OC(=O)CCC1CNc2ccc(F)cc21 Amb18560674 [1,1,0,0,0,0|0,0,2]=4 512 B16R2.15551 OC(=O)CCc1c[nH]c2c1cc(Cl)cc2 Amb17063354 [1,1,0,0,0,0|0,0,0]=2 513 B16R2.15551 OC(=O)CCc1c[nH]c2c1cc(F)cc2 Amb17063350 [1,1,0,0,0,0|0,0,0]=2 514 B16R2.15551 OC(=O)CCc1cnc2n1cc(Br)cc2 Amb17127702 [1,1,0,0,0,0|1,0,1]=4 515 B16R2.15551 OC(=O)CCc1cnc2n1cc(Cl)cc2 Amb17127701 [1,1,0,0,0,0|1,0,1]=4 516 B16R2.15551 OC(=O)CCc1noc2c1cc(Cl)cc2 Amb17040419 [1,1,0,0,0,0|2,0,0]=4 517 B16R2.15551 OC(=O)\C=C\c1c[nH]c2c1cc(Br)cc2 Amb17063371 [1,1,0,0,0,0|0,0,2]=4 518 B16R2.22833 CC(=O)CCc1c[nH]c2c1cccc2Br Amb17063428 [1,1,0,0,0,0|1,0,0]=3 519 B16R2.22833 CC(=O)CCc1c[nH]c2c1cccc2C Amb17063417 [1,1,0,0,0,0|1,0,0]=3 520 B16R2.22833 CC(=O)CCc1c[nH]c2c1cccc2Cl Amb17063425 [1,1,0,0,0,0|1,0,0]=3 521 B16R2.22833 CC(=O)CCc1c[nH]c2c1cccc2F Amb17063421 [1,1,0,0,0,0|1,0,0]=3 522 B16R2.22833 Cc1cccc2C(CNc21)CCC(O)=O Amb18063022 [1,1,0,0,0,0|0,0,2]=4 523 B16R2.22833 Cc1cccc2c1[nH]cc2CCC(=O)O Amb17063348 [1,1,0,0,0,0|0,0,0]=2 524 B16R2.22833 Cc1cccc2c1[nH]cc2CNC(C)=O Amb24083724 [1,1,0,0,0,0|2,0,0]=4 525 B16R2.22833 Cc1cccc2c1[nH]cc2\C=C\C(=O)O Amb17063364 [1,1,0,0,0,0|0,0,2]=4 526 B16R2.22833 Cc1cccn2c1ncc2CCC(=O)O Amb17127699 [1,1,0,0,0,0|1,0,1]=4 527 B16R2.22833 OC(=O)C=Cc1c[nH]c2c(Br)cccc12 Amb24082641 [1,1,0,0,0,0|0,0,2]=4 528 B16R2.22833 OC(=O)C=Cc1c[nH]c2c(Cl)cccc12 Amb24082642 [1,1,0,0,0,0|0,0,2]=4 529 B16R2.22833 OC(=O)C=Cc1c[nH]c2c(F)cccc12 Amb24082606 [1,1,0,0,0,0|0,0,2]=4 530 B16R2.22833 OC(=O)CCC1CNc2c(Br)cccc21 Amb18063025 [1,1,0,0,0,0|0,0,2]=4 531 B16R2.22833 OC(=O)CCC1CNc2c(Cl)cccc21 Amb18063024 [1,1,0,0,0,0|0,0,2]=4 532 B16R2.22833 OC(=O)CCC1CNc2c(F)cccc21 Amb18560680 [1,1,0,0,0,0|0,0,2]=4 533 B16R2.22833 OC(=O)CCc1c[nH]c2c1cccc2Br Amb17063359 [1,1,0,0,0,0|0,0,0]=2 534 B16R2.22833 OC(=O)CCc1c[nH]c2c1cccc2Cl Amb17063356 [1,1,0,0,0,0|0,0,0]=2 535 B16R2.22833 OC(=O)CCc1c[nH]c2c1cccc2F Amb17063352 [1,1,0,0,0,0|0,0,0]=2 536 B16R2.22833 OC(=O)CCn1ccc2c1cccc2Cl Amb13777457 [1,1,0,0,0,0|2,0,0]=4 537 B16R2.22833 OC(=O)\C=C\c1c[nH]c2c1cccc2Br Amb17063373 [1,1,0,0,0,0|0,0,2]=4 538 B16R2.22833 OC(=O)\C=C\c1c[nH]c2c1cccc2Cl Amb17063369 [1,1,0,0,0,0|0,0,2]=4 539 B16R2.22833 OC(=O)\C=C\c1c[nH]c2c1cccc2F Amb17063366 [1,1,0,0,0,0|0,0,2]=4 540 B16R2.22904 CC(=O)CCc1c[nH]c2[n]ccc(Cl)c12 Amb24087789 [1,1,0,0,0,0|2,0,0]=4 541 B16R2.22904 CC(=O)CCc1c[nH]c2c1c(Br)ccc2 Amb17063426 [1,1,0,0,0,0|1,0,0]=3 542 B16R2.22904 CC(=O)CCc1c[nH]c2c1c(C)ccc2 Amb17063414 [1,1,0,0,0,0|1,0,0]=3 543 B16R2.22904 CC(=O)CCc1c[nH]c2c1c(Cl)ccc2 Amb17063422 [1,1,0,0,0,0|1,0,0]=3 544 B16R2.22904 CC(=O)CCc1c[nH]c2c1c(F)ccc2 Amb17063418 [1,1,0,0,0,0|1,0,0]=3 545 B16R2.22904 Cc1cccc2cc[n](CCC(O)=O)c21 Amb18894997 [1,1,0,0,0,0|2,0,0]=4 546 B16R2.22904 Cc1ccnc2c1c(CCC(=O)O)c[nH]2 Amb13885227 [1,1,0,0,0,0|1,0,0]=3 547 B16R2.22904 OC(=O)CC[n]1ccc2cccc(Br)c12 Amb18906279 [1,1,0,0,0,0|2,0,0]=4 548 B16R2.22904 OC(=O)CC[n]1ccc2cccc(Cl)c12 Amb18245282 [1,1,0,0,0,0|2,0,0]=4 549 B16R2.22904 OC(=O)CC[n]1ccc2cccc(F)c12 Amb18895720 [1,1,0,0,0,0|2,0,0]=4 550 B16R2.22904 OC(=O)CCc1c[nH]c2c1c(Br)ccc2 Amb17063357 [1,1,0,0,0,0|0,0,0]=2 551 B16R2.22904 OC(=O)CCc1c[nH]c2c1c(C)ccc2 Amb17063345 [1,1,0,0,0,0|0,0,0]=2 552 B16R2.22904 OC(=O)CCc1c[nH]c2c1c(Cl)ccc2 Amb17063353 [1,1,0,0,0,0|0,0,0]=2 553 B16R2.22904 OC(=O)CCc1c[nH]c2c1c(F)ccc2 Amb17063349 [1,1,0,0,0,0|0,0,0]=2 554 B16R2.22904 OC(=O)CCc1cnc2n1c(C)ccc2 Amb17127696 [1,1,0,0,0,0|1,0,1]=4 555 B16R2.22904 OC(=O)\C=C\c1c[nH]c2c1c(Br)ccc2 Amb17063370 [1,1,0,0,0,0|0,0,2]=4 556 B16R2.22904 OC(=O)\C=C\c1c[nH]c2c1c(C)ccc2 Amb17063363 [1,1,0,0,0,0|0,0,2]=4 557 B16R2.22904 OC(=O)\C=C\c1c[nH]c2c1c(Cl)ccc2 Amb17063367 [1,1,0,0,0,0|0,0,2]=4 558 B16R2.22904 OC(=O)\C=C\c1c[nH]c2c1c(F)ccc2 Amb17063365 [1,1,0,0,0,0|0,0,2]=4 559 B16R2.104522 CC(=O)CCc1cn(c2c1cccc2)C Amb17595348 [1,1,0,0,0,0|1,0,0]=3 560 B16R2.104522 CN1CC(CCC(O)=O)c2ccccc12 Amb18063071 [1,1,0,0,0,0|0,0,2]=4 561 B16R2.104522 C[n]1[n]c(OCC(O)=O)c2ccccc12 Amb23568598 [1,1,0,0,0,0|2,0,0]=4 562 B16R2.104522 C[n]1cc(C#CC(O)=O)c2ccccc12 Amb22713540 [1,1,0,0,0,0|0,0,2]=4 563 B16R2.104522 NC(=O)CSc1cn(c2c1cccc2)C Amb1349739 [1,1,0,0,0,0|2,0,0]=4 564 B16R2.104522 OC(=O)CC[n]1cc(Cl)c2ccccc12 Amb18998035 [1,1,0,0,0,0|2,0,0]=4 565 B16R2.104522 OC(=O)CCn1cc(c2c1cccc2)Br Amb1124611 [1,1,0,0,0,0|2,0,0]=4 566 B16R2.104522 OC(=O)CSc1cn(c2c1cccc2)C Amb1058730 [1,1,0,0,0,0|1,0,0]=3 567 B16R2.495 CC(=O)C(C)(C)c1c[nH]c2ccccc12 Amb18566363 [0,1,0,0,1,0|2,0,0]=4 568 B16R2.495 OC(=O)C(F)(F)c1c[nH]c2ccccc12 Amb25762001 [0,1,0,0,1,0|1,0,0]=3 569 B16R2.495 OC(=O)C(c1c[nH]c2c1cccc2)(C)C Amb17505569 [0,1,0,0,1,0|1,0,0]=3 570 B16R2.495 [2H]C([2H])(C(O)=O)c1c[nH]c2ccccc12 Amb22353299 [0,1,0,0,1,0|1,0,0]=3 571 B16R2.2314 CCC(C(O)=O)c1c[nH]c2ccccc12 Amb18654254 [0,1,0,0,1,0|1,0,0]=3 572 B16R2.2314 CNC(C(N)=O)c1c[s]c2ccccc12 Amb18995296 [0,1,0,0,1,0|2,0,0]=4 573 B16R2.2314 CNC(C(O)=O)c1c[s]c2ccccc12 Amb18995297 [0,1,0,0,1,0|1,0,0]=3 574 B16R2.2314 CNC(c1c[nH]c2ccccc12)C(O)=O Amb18864933 [0,1,0,0,1,0|0,0,0]=2 575 B16R2.2314 NCC(C(O)=O)[n]1c[n]c2ccccc12 Amb25171330 [0,1,0,0,1,0|1,0,1]=4 576 B16R2.2314 NCC(C(O)=O)[n]1ccc2ccccc12 Amb24462149 [0,1,0,0,1,0|2,0,0]=4 577 B16R2.4002 CC(C(O)=O)N1c2ccccc2NC1=O Amb18917459 [0,1,0,0,1,0|2,0,0]=4 578 B16R2.4002 Cc1[nH]c2ccccc2c1C(=C)C(O)=O Amb18566348 [0,1,0,0,1,0|1,0,1]=4 579 B16R2.4002 Cc1[nH]c2ccccc2c1C(C)C(O)=O Amb18566696 [0,1,0,0,1,0|1,0,0]=3 580 B16R2.4002 Cc1[nH]c2ccccc2c1C(Cl)C(O)=O Amb18069350 [0,1,0,0,1,0|1,0,0]=3 581 B16R2.4002 Cc1[nH]c2ccccc2c1C(N)C(O)=O Amb18864934 [0,1,0,0,1,0|0,0,0]=2 582 B16R2.4002 Cc1[nH]c2ccccc2c1C(O)C(O)=O Amb18865107 [0,1,0,0,1,0|1,0,0]=3 583 B16R2.4002 OC(=O)\C(\S)=C\1/c2ccccc2NC1=O Amb24115519 [0,1,0,0,1,0|1,0,1]=4 584 B16R2.12530 Brc1ccc2c(c1)[nH]cc2C(=O)C(=O)O Amb17074439 [0,1,0,0,1,0|1,0,1]=4 585 B16R2.15550 Cc1cc2c(c[nH]c2cc1)C(=O)C(O)=O Amb18786240 [0,1,0,0,1,0|1,0,1]=4 586 B16R2.15550 OC(=O)C(=O)c1c[nH]c2ccc(Cl)cc21 Amb18761692 [0,1,0,0,1,0|1,0,1]=4 587 B16R2.15550 OC(=O)C(=O)c1c[nH]c2ccc(F)cc21 Amb18780071 [0,1,0,0,1,0|1,0,1]=4 588 B16R2.22832 NC(C(O)=O)c1c[nH]c2c(Cl)cccc12 Amb18760664 [0,1,0,0,1,0|0,0,0]=2 589 B16R2.22832 OC(=O)C(=O)c1c[nH]c2c(Br)cccc21 Amb18906277 [0,1,0,0,1,0|1,0,1]=4 590 B16R2.104521 CC(C(O)=O)c1c[n](C)c2ccccc21 Amb18566694 [0,1,0,0,1,0|1,0,0]=3 591 B16R2.104521 C[n]1cc(C(=C)C(O)=O)c2ccccc12 Amb18566347 [0,1,0,0,1,0|1,0,1]=4 592 B16R2.104521 C[n]1cc(C(Cl)C(O)=O)c2ccccc12 Amb18069345 [0,1,0,0,1,0|1,0,0]=3 593 B16R2.104521 C[n]1cc(C(O)C(O)=O)c2ccccc12 Amb18783415 [0,1,0,0,1,0|1,0,0]=3 594 B16R2.104521 C[n]1cc(c2ccccc12)C(=O)C(O)=O Amb18566642 [0,1,0,0,1,0|1,0,1]=4 595 B16R2.126921 OC(=O)C(=O)c1c[nH]c2cccc(Cl)c21 Amb18761691 [0,1,0,0,1,0|1,0,1]=4 596 B16R2.126921 OC(=O)C(=O)c1c[nH]c2cccc(F)c21 Amb18780072 [0,1,0,0,1,0|1,0,1]=4 597 B18R2.37 COC(=O)[C@@H](C)CCc1c[nH]c2ccccc12 Amb23603907 [0,1,0,0,0,1|1,0,0]=3 598 B18R2.7129 CC(C)(CCc1c[nH]c2ccccc12)C(O)=O Amb18869078 [0,1,0,0,0,1|1,0,0]=3 599 B18R2.1 COC(=O)CC(=O)Cc1c[nH]c2c1cccc2 Amb13893678 [0,1,0,0,0,1|1,0,1]=4 600 B18R2.1 ClCC(=O)NC(Cc1c[nH]c2c1cccc2)C Amb1786817 [0,1,0,0,0,1|2,0,0]=4 601 B18R2.1 NCC(=O)NC(Cc1c[nH]c2c1cccc2)C Amb1051178 [0,1,0,0,0,1|2,0,0]=4 602 B18R2.61976 Cc1[nH]c2ccccc2c1CC(N)CC(O)=O Amb18748463 [0,1,0,0,0,1|0,0,0]=2 603 B18R2.61976 Cc1[nH]c2ccccc2c1CN(C)CC(O)=O Amb18869470 [0,1,0,0,0,1|2,0,0]=4 604 B18R2.978778 CN(CC(O)=O)Cc1c[n](C)c2ccccc12 Amb18869467 [0,1,0,0,0,1|2,0,0]=4 605 B18R2.978778 C[n]1cc(CC(N)CC(O)=O)c2ccccc12 Amb18869465 [0,1,0,0,0,1|0,0,0]=2 606 B18R2.978778 C[n]1cc(C[C@@H](N)CC(O)=O)c2ccccc12 Amb23401429 [0,1,0,0,0,1|0,0,0]=2 607 B18R2.30019 COC(=O)C(Cc1ccc2c(c1)cccc2)N Amb1229879 [0,1,0,0,0,1|1,0,0]=3 608 B18R2.31385 OC(=O)C(Cc1ccc2c(n1)cc(cc2)Cl)C Amb17583373 [0,1,0,0,0,1|2,0,0]=4 609 B18R2.31781 N[C@@H]([C@@H](O)C(O)=O)c1cc2ccccc2cc1 Amb22756733 [0,1,0,0,0,1|2,0,0]=4 610 B18R2.59534 OC(=O)C(Cc1cnc2c(c1)cccc2O)N Amb17615192 [0,1,0,0,0,1|0,0,1]=3 611 B18R2.339507 OC(=O)C(Cc1ccc2c(n1)ccc(c2)F)C Amb17581279 [0,1,0,0,0,1|2,0,0]=4 612 B18R2.483954 OC(=O)C(Cc1ccc2c(n1)c(Br)ccc2)C Amb17590840 [0,1,0,0,0,1|2,0,0]=4 613 B18R2.6164 C=C1C=C(CC(N)C(O)=O)c2ccccc2N1 Amb20620235 [0,1,0,0,0,1|0,0,0]=2 614 B18R2.6164 NC(CC1=CC(=O)Nc2ccccc21)C(O)=O Amb18661444 [0,1,0,0,0,1|0,0,0]=2 615 B18R2.6164 NC(CC1=CC(=O)Nc2ccccc21)C(O)=O Amb19888547 [0,1,0,0,0,1|0,0,0]=2 616 B18R2.6164 NC(CC1=CC(=O)Nc2ccccc21)C(O)=O Amb20247457 [0,1,0,0,0,1|0,0,0]=2 617 B18R2.6164 NC(CC1=CC(=O)Nc2ccccc21)C(O)=O Amb22234038 [0,1,0,0,0,1|0,0,0]=2 618 B18R2.6164 NC(CC1=CC(=O)Nc2ccccc21)C(O)=O Amb22351295 [0,1,0,0,0,1|0,0,0]=2 619 B18R2.62416 NC(Cc1ccc(O)c2[n]cccc12)C(O)=O Amb23536023 [0,1,0,0,0,1|2,0,0]=4 620 B18R2.913225 COC(Cc1cccc2ccccc21)C(O)=O Amb23320914 [0,1,0,0,0,1|2,0,0]=4 621 B18R2.1372400 OC(=O)C(Cc1cccc2c1cccc2)(C)C Amb17333789 [0,1,0,0,0,1|2,0,0]=4 622 B18R2.2912343 N[C@@H]([C@@H](O)C(O)=O)c1cccc2ccccc21 Amb22756730 [0,1,0,0,0,1|2,0,0]=4 623 B18R2.12 CCNC(=O)[C@@H](N)Cc1c[nH]c2ccccc21 Amb24788658 [0,2,0,0,0,0|1,0,0]=3 624 B18R2.12 CCOC(=O)C(=O)Cc1c[nH]c2c1cccc2 Amb17596335 [0,2,0,0,0,0|1,0,1]=4 625 B18R2.12 CCOC(=O)C(Cc1c[nH]c2c1cccc2)N Amb2573296 [0,2,0,0,0,0|0,0,0]=2 626 B18R2.12 CCOC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N Amb10069730 [0,2,0,0,0,0|0,0,0]=2 627 B18R2.12 CCOC(=O)[C@H](Cc1c[nH]c2c1cccc2)N Amb16183982 [0,2,0,0,0,0|0,0,0]=2 628 B18R2.283 [C-]#[N+]C(Cc1c[nH]c2ccccc21)C(=O)OC Amb24103413 [0,2,0,0,0,0|0,0,1]=3 629 B18R2.374 COC(=O)C(C)(N)Cc1c[nH]c2ccccc21 Amb22489558 [0,2,0,0,0,0|0,0,0]=2 630 B18R2.374 CO[14C](=O)C(Cc1c[nH]c2c1cccc2)(N)C Amb17617886 [0,2,0,0,0,0|0,0,0]=2 631 B18R2.2234 COC(=O)C(Cl)C(=O)c1c[nH]c2ccccc12 Amb18229818 [0,2,0,0,0,0|1,0,1]=4 632 B18R2.126667 COC(=O)C(N)Cc1c[nH]c2cc(Br)ccc21 Amb22899254 [0,2,0,0,0,0|0,0,0]=2 633 B18R2.126667 COC(=O)C(N)Cc1c[nH]c2cc(F)ccc21 Amb20622518 [0,2,0,0,0,0|0,0,0]=2 634 B18R2.910661 COC(=O)C(N)Cc1c[nH]c2ccc(Br)cc21 Amb20623312 [0,2,0,0,0,0|0,0,0]=2 635 B18R2.910661 COC(=O)[C@@H](N)Cc1c[nH]c2ccc(O)cc21 Amb22737290 [0,2,0,0,0,0|0,0,0]=2 636 B18R2.910661 COC(=O)[C@H](Cc1n[nH]c2c1cc(Br)cc2)N Amb10604216 [0,2,0,0,0,0|1,0,0]=3 637 B18R2.60850 Cc1[nH]c2ccccc2c1CC(C)(C)C(O)=O Amb18572954 [0,2,0,0,0,0|1,0,0]=3 638 B18R2.2319184 C[n]1cc(CC(C)(C)C(O)=O)c2ccccc12 Amb18572952 [0,2,0,0,0,0|1,0,0]=3 639 B18R2.195 O=CNC(C(=O)O)Cc1c[nH]c2c1cccc2 Amb16232271 [0,2,0,0,0,0|0,0,0]=2 640 B18R2.370 CS(=O)(=O)C(CN)Cc1c[nH]c2ccccc21 Amb18697614 [0,2,0,0,0,0|1,0,1]=4 641 B18R2.7183 OC(=O)C(C(=O)O)Cc1c[nH]c2c1cccc2 Amb17596382 [0,2,0,0,0,0|1,0,0]=3 642 B18R2.609005 N#CC(C(=O)N)Cc1c[nH]c2c1ccc(c2)Cl Amb16195541 [0,2,0,0,0,0|1,0,1]=4 643 B18R2.3108 C#Cc1cc2[nH]cc(CC(N)C(O)=O)c2cc1 Amb23456099 [0,2,0,0,0,0|0,0,0]=2 644 B18R2.3108 COc1cc2[nH]cc(CC(N)C(O)=O)c2cc1 Amb21964367 [0,2,0,0,0,0|0,0,0]=2 645 B18R2.3108 COc1cc2[nH]cc(C[C@@H](N)C(O)=O)c2cc1 Amb22745415 [0,2,0,0,0,0|0,0,0]=2 646 B18R2.359434 Cc1cc(Cl)[n]c2[nH]cc(CC(N)C(O)=O)c21 Amb24075379 [0,2,0,0,0,0|1,0,0]=3 647 B18R2.359434 Cc1cc(Cl)[n]c2[nH]cc(C[C@@H](N)C(O)=O)c21 Amb24075380 [0,2,0,0,0,0|1,0,0]=3 648 B18R2.2313826 Cc1c(CC(C)C(C)=O)c2ccccc2[n]1C Amb18868367 [0,2,0,0,0,0|2,0,0]=4 649 B18R2.2313826 Cc1c(CC(N)C(O)=O)c2ccccc2[n]1C Amb18573460 [0,2,0,0,0,0|0,0,0]=2 650 B18R2.120970 C#Cc1cc2c(CC(N)C(O)=O)c[nH]c2cc1 Amb23456100 [0,2,0,0,0,0|0,0,0]=2 651 B18R2.120970 COc1ccc2c(c1)c(c[nH]2)CC(C(=O)O)O Amb17596432 [0,2,0,0,0,0|1,0,0]=3 652 B18R2.120970 NC(Cc1c[nH]c2ccc(cc21)C#N)C(O)=O Amb22489749 [0,2,0,0,0,0|0,0,0]=2 653 B18R2.120970 N[C@@H](Cc1c[nH]c2ccc(cc21)C#N)C(O)=O Amb22747767 [0,2,0,0,0,0|0,0,0]=2 654 B18R2.2319547 NC(Cc1c[nH]c2c1cc(F)cc2F)C(O)=O Amb22904310 [0,2,0,0,0,0|0,0,0]=2 655 B18R2.105502 COc1cccc2[nH]cc(CC(N)C(O)=O)c12 Amb18743799 [0,2,0,0,0,0|0,0,0]=2 656 B18R2.105502 COc1cccc2[nH]cc(C[C@@H](N)C(O)=O)c12 Amb22745838 [0,2,0,0,0,0|0,0,0]=2 657 B18R2.105502 COc1cccc2[nH]cc(C[C@@H](N)C(O)=O)c12 Amb24117284 [0,2,0,0,0,0|0,0,0]=2 658 B18R2.12995 CC(C)(C(N)C(O)=O)c1c[nH]c2ccccc12 Amb24117041 [0,2,0,0,0,0|0,0,0]=2 659 B16R2.6284 N[C@@H](C(O)=O)c1cc2ccccc2cc1 Amb22754413 [0,0,1,1,0,0|1,0,1]=4 660 B16R2.6284 OC(=O)C(c1ccc2c(c1)cccc2)N Amb1813708 [0,0,1,1,0,0|1,0,1]=4 661 B16R2.6271 NC(=O)C(N)Cc1c[n]2ccccc2[n]1 Amb25029919 [0,0,1,1,0,0|2,0,0]=4 662 B16R2.6271 NC(Cc1cc2ccccc2o1)C(O)=O Amb18783356 [0,0,1,1,0,0|2,0,0]=4 663 B16R2.6271 N[C@@H](Cc1cc2ccccc2o1)C(O)=O Amb24651971 [0,0,1,1,0,0|2,0,0]=4 664 B16R2.6271 N[C@H](Cc1c[n]2ccccc2[n]1)C(O)=O Amb25064136 [0,0,1,1,0,0|1,0,0]=3 665 B16R2.6271 N[C@H](Cc1cc2ccccc2o1)C(O)=O Amb25671267 [0,0,1,1,0,0|2,0,0]=4 666 B16R2.6271 OC(=O)C(F)Cc1c[n]2ccccc2[n]1 Amb25124462 [0,0,1,1,0,0|2,0,0]=4 667 B16R2.244415 OC(=O)C(c1cccc2c1cccc2)N Amb1774772 [0,0,1,1,0,0|1,0,1]=4 668 B16R2.84025 Nc1ccccc1C2(O)CC(N)C(=O)O2 Amb22437334 [0,0,1,1,0,0|1,0,1]=4 669 B16R2.6257 NC(Cc1cc2cc[nH]c2cc1)C(O)=O Amb18784696 [0,0,1,1,0,0|2,0,0]=4 670 B16R2.49441 NC(Cc1cccc2[nH]ccc21)C(O)=O Amb18784697 [0,0,1,1,0,0|2,0,0]=4 671 B16R2.49441 NC(Cc1cccc2[s]ccc21)C(O)=O Amb24094689 [0,0,1,1,0,0|2,0,0]=4 672 B16R2.49441 NC(Cc1cccc2cc[nH]c21)C(O)=O Amb18654633 [0,0,1,1,0,0|0,0,0]=2 673 B16R3.160 N[C@@H]1Cc2c[nH]c3cccc(OC1)c23 Amb25664121 [1,0,0,1,0,0|0,0,1]=3 674 B16R3.160 N[C@H]1Cc2c[nH]c3cccc(OC1)c23 Amb25323917 [1,0,0,1,0,0|0,0,1]=3 675 B16R3.160 OC1Cc2c[nH]c3cccc(OC1)c23 Amb25858872 [1,0,0,1,0,0|1,0,1]=4 676 B16R3.2583 NC1Cc2c3ccccc3[nH]c2CC1 Amb18061759 [1,0,0,1,0,0|1,0,1]=4 677 B16R3.2583 N[C@@H]1Cc2c3ccccc3[nH]c2CC1 Amb20242987 [1,0,0,1,0,0|1,0,1]=4 678 B16R3.2583 N[C@@H]1Cc2c3ccccc3[nH]c2SC1 Amb25692908 [1,0,0,1,0,0|0,1,1]=4 679 B16R3.2583 N[C@H]1Cc2c3ccccc3[nH]c2SC1 Amb24554327 [1,0,0,1,0,0|0,1,1]=4 680 B16R3.26868 CC1Cc2c([nH]c3ccccc32)C1=O Amb25308022 [1,0,0,1,0,0|1,0,0]=3 681 B16R3.26868 CN1Cc2c([nH]c3ccccc23)C1=O Amb17943180 [1,0,0,1,0,0|2,0,0]=4 682 B16R3.26868 NC1Cc2c([nH]c3ccccc32)C1=O Amb25725050 [1,0,0,1,0,0|0,0,0]=2 683 B16R3.34321 NC1=Cc2c[nH]c3cccc(C1=O)c23 Amb24399914 [1,0,0,1,0,0|0,0,2]=4 684 B16R3.34321 NC1CC2CNc3cccc(c32)C1=O Amb25828928 [1,0,0,1,0,0|0,0,2]=4 685 B16R3.43152 O=CN1Cc2c[nH]c3cccc(C1)c23 Amb25185676 [1,0,0,1,0,0|2,0,0]=4 686 B16R3.67 O=C1CC(N1)c2c[nH]c3ccccc23 Amb25824646 [1,0,0,1,0,0|1,0,0]=3 687 B16R3.67 O=C1CC(N1)c2c[s]c3ccccc23 Amb25286815 [1,0,0,1,0,0|2,0,0]=4 688 B16R3.67 O=C1CC(N1)c2coc3ccccc23 Amb25355282 [1,0,0,1,0,0|2,0,0]=4 689 B16R3.426 OC(=O)[C@@H]1C[C@]12C=Cc3ccccc23 Amb25240656 [1,0,0,1,0,0|1,0,1]=4 690 B16R3.2637 O=C1CCC=2c3ccccc3CC2N1 Amb25827531 [1,0,0,1,0,0|2,0,0]=4 691 B16R3.2637 O=C1Cc2[nH]c3ccccc3c2CC1 Amb24183648 [1,0,0,1,0,0|1,0,0]=3 692 B16R3.2637 OC1Cc2[nH]c3ccccc3c2CC1 Amb25276461 [1,0,0,1,0,0|1,0,1]=4 693 B16R3.16512 CC1(O)CCc2c[nH]c3cccc1c23 Amb24427671 [1,0,0,1,0,0|1,0,1]=4 694 B16R3.17569 O=C1CCc2c[nH]c3cccc(N1)c23 Amb24379476 [1,0,0,1,0,0|1,0,0]=3 695 B16R3.17569 O=C1Cc2cccc3[nH]cc(CN1)c23 Amb24663135 [1,0,0,1,0,0|2,0,0]=4 696 B18R3.116932 OC(=O)C1Cc2[nH]c3ccccc3c2CC1 Amb18173796 [0,0,0,1,0,1|1,0,0]=3 697 B18R3.118155 NC1(CC1c2c[nH]c3ccccc23)C(O)=O Amb23456101 [0,0,0,1,0,1|0,0,0]=2 698 B18R3.2886 O=C1N[C@@H](Cc2c[nH]c3ccccc23)CO1 Amb20240750 [0,0,0,1,0,1|1,0,0]=3 699 B18R3.2886 O=C1N[C@H](Cc2c[nH]c3ccccc23)CO1 Amb20240791 [0,0,0,1,0,1|1,0,0]=3 700 B18R3.118559 OC(=O)CC1Cc2c3ccccc3[nH]c2C1 Amb18173792 [0,0,0,1,0,1|1,0,0]=3 701 B18R3.115362 OC(=O)C1Cc2cc3ccccc3[n]c2C1 Amb23454189 [0,0,0,1,0,1|1,0,1]=4 702 B18R3.184 O=C1CCCC1Cc2c[nH]c3c2cccc3 Amb17595786 [0,1,0,1,0,0|2,0,0]=4 703 B18R3.184 O=C1CCN[C@@H]1Cc2c[nH]c3ccccc23 Amb18174355 [0,1,0,1,0,0|1,0,0]=3 704 B18R3.184 OC1CCN[C@@H]1Cc2c[nH]c3ccccc23 Amb18172398 [0,1,0,1,0,0|1,0,1]=4 705 B18R3.138718 COC(=O)C1Cc2c3ccccc3[nH]c2C1 Amb23454185 [0,1,0,1,0,0|1,0,0]=3 706 B18R3.115616 OC(=O)C1NCc2c(C1)c3ccccc3[nH]2 Amb1962533 [0,1,0,1,0,0|0,0,0]=2 707 B18R3.115616 OC(=O)C1NCc2c(C1)c3ccccc3[nH]2 Amb2573022 [0,1,0,1,0,0|0,0,0]=2 708 B18R3.115616 OC(=O)[C@@H]1Cc2c(CN1)[nH]c3ccccc23 Amb17778557 [0,1,0,1,0,0|0,0,0]=2 709 B18R3.567792 Nc1cc2c(cc1)[nH]c3CC(Cc32)C(O)=O Amb23454188 [0,1,0,1,0,0|1,0,0]=3 710 B18R3.622433 C[n]1c2[nH]c(cc2c3ccccc13)C(O)=O Amb18174771 [0,1,0,1,0,0|0,0,2]=4 711 B18R3.622433 C[n]1c2ccccc2c3CC(Cc13)C(O)=O Amb23454182 [0,1,0,1,0,0|1,0,0]=3 712 B14R1.3135 COc1ccccc1C[C@@H](N)C(O)=O Amb19063345 [0,0,1,0,1,0|1,0,1]=4 713 B14R1.3135 COc1ccccc1C[C@H](N)C(O)=O Amb22641421 [0,0,1,0,1,0|1,0,1]=4 714 B14R1.3135 NC(Cc1ccccc1C#N)C(O)=O Amb21858527 [0,0,1,0,1,0|2,0,0]=4 715 B14R1.1027 C\C=C(\C(C)C(O)=O)/c1ccccc1 Amb24498338 [0,0,1,0,1,0|2,0,0]=4 716 B14R1.6449 CC(N\C=C\c1ccccc1)C(O)=O Amb24374012 [0,0,1,0,1,0|2,0,0]=4 717 B14R1.6449 NC(CC#Cc1ccccc1)C(O)=O Amb19020422 [0,0,1,0,1,0|0,0,2]=4 718 B14R1.6449 NC(CCCc1ccccc1)C(O)=O Amb19342362 [0,0,1,0,1,0|0,0,2]=4 719 B14R1.6449 N[C@@H](CCCc1ccccc1)C(O)=O Amb20241024 [0,0,1,0,1,0|0,0,2]=4 720 B14R1.6449 N[C@@H](C\C=C\c1ccccc1)C(O)=O Amb22746168 [0,0,1,0,1,0|0,0,0]=2 721 B14R1.6449 N[C@H](CC#Cc1ccccc1)C(O)=O Amb24535741 [0,0,1,0,1,0|0,0,2]=4 722 B14R1.6449 N[C@H](COCc1ccccc1)C(O)=O Amb19944297 [0,0,1,0,1,0|1,0,1]=4 723 B14R1.6449 OC(=O)[C@@H](N\C=C\c1ccccc1)C Amb16231751 [0,0,1,0,1,0|2,0,0]=4 724 B14R1.243 CC(C(N)C(O)=O)c1ccccc1N Amb18651900 [0,0,1,0,1,0|0,0,2]=4 725 B14R1.243 C[C@H]([C@@H](N)C(O)=O)c1ccccc1N Amb24355363 [0,0,1,0,1,0|0,0,2]=4 726 B14R1.243 C[C@H]([C@H](N)C(O)=O)c1ccccc1N Amb25193515 [0,0,1,0,1,0|0,0,2]=4 727 B14R1.243 OC(=O)C(C(c1ccccc1N)O)N Amb2228469 [0,0,1,0,1,0|1,0,1]=4 728 B14R1.10072 N[C@@H](CC=1C=CC=CC=CC1)C(O)=O Amb24563813 [0,0,1,0,1,0|0,0,0]=2 729 B14R2.95 C=CC(N)c1coc2ccccc12 Amb25291360 [1,0,0,0,1,0|2,0,0]=4 730 B14R2.95 C=CC(O)c1c[nH]c2ccccc12 Amb25096305 [1,0,0,0,1,0|2,0,0]=4 731 B14R2.95 C=C[C@H](N)c1c[nH]c2ccccc12 Amb24680959 [1,0,0,0,1,0|1,0,0]=3 732 B14R2.95 CC(C=C)c1c[nH]c2ccccc12 Amb24469268 [1,0,0,0,1,0|2,0,0]=4 733 B14R2.95 CC(C=O)c1c[nH]c2ccccc12 Amb18127069 [1,0,0,0,1,0|1,0,0]=3 734 B14R2.95 CC(C=O)c1c[s]c2ccccc12 Amb24492430 [1,0,0,0,1,0|2,0,0]=4 735 B14R2.95 CC(CO)c1c[nH]c2ccccc12 Amb24364616 [1,0,0,0,1,0|1,0,1]=4 736 B14R2.95 CCC(N)c1c[nH]c2ccccc12 Amb18055069 [1,0,0,0,1,0|1,0,1]=4 737 B14R2.95 CC[C@@H](N)c1c[nH]c2ccccc12 Amb25111531 [1,0,0,0,1,0|1,0,1]=4 738 B14R2.95 C[C@H](C=O)c1c[s]c2ccccc12 Amb24362970 [1,0,0,0,1,0|2,0,0]=4 739 B14R2.95 C[C@H](NO)c1c[nH]c2ccccc12 Amb25330774 [1,0,0,0,1,0|2,0,0]=4 740 B14R2.95 N#CC(c1c[nH]c2c1cccc2)N Amb1108287 [1,0,0,0,1,0|1,0,1]=4 741 B14R2.95 NC(CO)c1c[nH]c2[n]cccc12 Amb25667876 [1,0,0,0,1,0|1,0,1]=4 742 B14R2.95 NC(CO)c1c[nH]c2ccccc12 Amb18065625 [1,0,0,0,1,0|0,0,1]=3 743 B14R2.95 NC(CO)c1c[s]c2ccccc12 Amb18963399 [1,0,0,0,1,0|1,0,1]=4 744 B14R2.95 N[C@@H](CF)c1c[nH]c2ccccc12 Amb24471470 [1,0,0,0,1,0|1,0,1]=4 745 B14R2.95 N[C@@H](CO)c1coc2ccccc12 Amb24611802 [1,0,0,0,1,0|1,0,1]=4 746 B14R2.95 N[C@H](CO)c1c[nH]c2ccccc12 Amb24763719 [1,0,0,0,1,0|0,0,1]=3 747 B14R2.95 O=C(C=O)c1c[nH]c2ccccc21 Amb18127019 [1,0,0,0,1,0|1,0,1]=4 748 B14R2.95 O=CC(c1coc2c1cccc2)Br Amb16232550 [1,0,0,0,1,0|2,0,0]=4 749 B14R2.95 OCC(O)c1c[nH]c2ccccc12 Amb18065661 [1,0,0,0,1,0|1,0,1]=4 750 B14R2.9451 OC(=O)CCc1[n][nH]c2cc[s]c12 Amb18189042 [1,0,0,0,1,0|2,0,0]=4 751 B14R2.9451 OC(=O)CCc1[n][nH]c2ccoc12 Amb18194149 [1,0,0,0,1,0|2,0,0]=4 752 B14R2.9451 OC(=O)CCc1c[nH]c2[s]ccc12 Amb18189477 [1,0,0,0,1,0|1,0,0]=3 753 B14R2.9451 OC(=O)CCc1c[nH]c2cc[s]c12 Amb18189476 [1,0,0,0,1,0|1,0,0]=3 754 B14R2.31137 OC(=O)CCC1Cc2ccccc21 Amb25684770 [1,0,0,0,1,0|0,0,2]=4 755 B16R1.4131 NC(CCCNCc1ccccc1)C(O)=O Amb24582123 [0,0,1,0,0,1|0,0,2]=4 756 B16R1.4131 N[C@@H](CCCNCc1ccccc1)C(O)=O Amb24752381 [0,0,1,0,0,1|0,0,2]=4 757 B16R2.5347 CC(Cc1cc2ccccc2[n]c1)C=O Amb24758526 [1,0,0,0,0,1|1,0,1]=4 758 B16R2.5347 CC(Cc1cc2ccccc2cc1)C=O Amb24575688 [1,0,0,0,0,1|2,0,0]=4 759 B16R2.5347 NC(CO)Cc1cc2ccccc2cc1 Amb24056375 [1,0,0,0,0,1|1,0,1]=4 760 B16R2.5347 O=CC(Cl)Cc1cc2ccccc2cc1 Amb25033819 [1,0,0,0,0,1|2,0,0]=4 761 B16R2.170412 CC(Cc1cccc2ccccc21)C=O Amb25171363 [1,0,0,0,0,1|2,0,0]=4 762 B16R2.170412 O=CC(Cl)Cc1cccc2ccccc21 Amb25221222 [1,0,0,0,0,1|2,0,0]=4 763 B16R2.36 NC(=N)NCCc1c[nH]c2ccccc12 Amb18566550 [1,0,0,0,0,1|2,0,0]=4 764 B16R2.36 NC(=O)CSCc1c[nH]c2c1cccc2 Amb1903972 [1,0,0,0,0,1|1,0,0]=3 765 B16R2.36 OC(=O)CCCc1[n][nH]c2ccccc12 Amb18784761 [1,0,0,0,0,1|1,0,0]=3 766 B16R2.36 OC(=O)CCCc1c[nH]c2[n]cc[n]c12 Amb18783205 [1,0,0,0,0,1|2,0,0]=4 767 B16R2.36 OC(=O)CCCc1c[nH]c2cc[n]cc12 Amb18784740 [1,0,0,0,0,1|1,0,0]=3 768 B16R2.36 OC(=O)CCCc1c[nH]c2ccccc12 Amb22352078 [1,0,0,0,0,1|0,0,0]=2 769 B16R2.36 OC(=O)CCNc1[s][n]c2ccccc21 Amb24392009 [1,0,0,0,0,1|1,0,1]=4 770 B16R2.36 OC(=O)CCNc1nsc2c1cccc2 Amb1109757 [1,0,0,0,0,1|2,0,0]=4 771 B16R2.36 OC(=O)CCOc1[n]oc2ccccc21 Amb18780012 [1,0,0,0,0,1|2,0,0]=4 772 B16R2.36 OC(=O)CSCc1c[nH]c2c1cccc2 Amb1901850 [1,0,0,0,0,1|0,0,0]=2 773 B16R2.36 OC(=O)C\C=C\c1c[nH]c2ccccc21 Amb18566346 [1,0,0,0,0,1|0,0,1]=3 774 B16R2.36 [O-]C(=O)CCCc1c[nH]c2ccccc12 Amb24097127 [1,0,0,0,0,1|0,0,1]=3 775 B16R2.36 [S-]C(=S)NCCc1c[nH]c2c1cccc2 Amb16757935 [1,0,0,0,0,1|0,2,0]=4 776 B16R2.477 CC(=O)CCc1c[n]c2ccccc2[n]1 Amb24648465 [1,0,0,0,0,1|1,0,1]=4 777 B16R2.477 CC(=O)CCc1ccc2ccccc2[n]1 Amb25122255 [1,0,0,0,0,1|2,0,0]=4 778 B16R2.477 OC(=O)CCC1=Cc2c(OC1)cccc2 Amb17108942 [1,0,0,0,0,1|1,0,1]=4 779 B16R2.477 OC(=O)CCc1[n][n]c2ccccc2[n]1 Amb18864732 [1,0,0,0,0,1|1,0,1]=4 780 B16R2.477 OC(=O)CCc1[n]c2ccccc2c[n]1 Amb18137487 [1,0,0,0,0,1|2,0,0]=4 781 B16R2.477 OC(=O)CCc1c[n]c2ccccc2[n]1 Amb21955317 [1,0,0,0,0,1|0,0,1]=3 782 B16R2.477 OC(=O)CCc1cc2[n]cccc2cc1 Amb18354032 [1,0,0,0,0,1|2,0,0]=4 783 B16R2.477 OC(=O)CCc1cc2c[n]ccc2cc1 Amb18353951 [1,0,0,0,0,1|2,0,0]=4 784 B16R2.477 OC(=O)CCc1cc2cc[n]cc2cc1 Amb18353952 [1,0,0,0,0,1|2,0,0]=4 785 B16R2.477 OC(=O)CCc1cc2ccc[n]c2cc1 Amb18354030 [1,0,0,0,0,1|2,0,0]=4 786 B16R2.477 OC(=O)CCc1cc2ccccc2[n]c1 Amb18653534 [1,0,0,0,0,1|0,0,1]=3 787 B16R2.477 OC(=O)CCc1cc2ccccc2c[n]1 Amb20247748 [1,0,0,0,0,1|2,0,0]=4 788 B16R2.477 OC(=O)CCc1ccc2c(n1)cccc2 Amb2320110 [1,0,0,0,0,1|1,0,0]=3 789 B16R2.477 OC(=O)CNc1cc2ccccc2[n]c1 Amb18933565 [1,0,0,0,0,1|1,0,1]=4 790 B16R2.477 OC(=O)CNc1cnc2c(n1)cccc2 Amb17516802 [1,0,0,0,0,1|1,0,1]=4 791 B16R2.477 OC(=O)COc1cc2ccccc2cc1 Amb22352328 [1,0,0,0,0,1|2,0,0]=4 792 B16R2.477 OC(=O)COc1ccc2c(c1)cccc2 Amb1830480 [1,0,0,0,0,1|2,0,0]=4 793 B16R2.477 OC(=O)COc1ccc2ccccc2[n]1 Amb25193627 [1,0,0,0,0,1|2,0,0]=4 794 B16R2.477 OC(=O)COc1cnc2c(n1)cccc2 Amb2445489 [1,0,0,0,0,1|1,0,1]=4 795 B16R2.477 OC(=O)CSc1ccc2c(c1)cccc2 Amb1212229 [1,0,0,0,0,1|2,0,0]=4 796 B16R2.477 OC(=O)CSc1ccc2c(n1)cccc2 Amb1252000 [1,0,0,0,0,1|2,0,0]=4 797 B16R2.477 OC(=O)CSc1cnc2c(n1)cccc2 Amb1548001 [1,0,0,0,0,1|1,0,1]=4 798 B16R2.179941 CC(=O)CCc1c[n]cc2ccccc12 Amb24345143 [1,0,0,0,0,1|1,0,1]=4 799 B16R2.179941 CC(=O)CCc1cc[n]c2ccccc12 Amb24734114 [1,0,0,0,0,1|1,0,1]=4 800 B16R2.179941 NC(=O)CCc1[n]ccc2ccccc12 Amb18353969 [1,0,0,0,0,1|2,0,0]=4 801 B16R2.179941 NC(=O)CCc1cccc2ccccc12 Amb19551317 [1,0,0,0,0,1|2,0,0]=4 802 B16R2.179941 O=C(Cl)CCc1cccc2ccccc12 Amb23556450 [1,0,0,0,0,1|2,0,0]=4 803 B16R2.179941 OC(=O)CCC1CCNc2ccccc21 Amb19515514 [1,0,0,0,0,1|0,0,2]=4 804 B16R2.179941 OC(=O)CCc1[n]c[n]c2ccccc12 Amb18137489 [1,0,0,0,0,1|0,0,1]=3 805 B16R2.179941 OC(=O)CCc1[n]ccc2ccccc12 Amb18653508 [1,0,0,0,0,1|1,0,0]=3 806 B16R2.179941 OC(=O)CCc1c[n]cc2ccccc12 Amb19106146 [1,0,0,0,0,1|0,0,1]=3 807 B16R2.179941 OC(=O)CCc1cc[n]c2ccc[n]c12 Amb25126015 [1,0,0,0,0,1|1,0,1]=4 808 B16R2.179941 OC(=O)CCc1cc[n]c2ccccc12 Amb18653535 [1,0,0,0,0,1|0,0,1]=3 809 B16R2.179941 OC(=O)CCc1cccc2c1ccnc2 Amb16232776 [1,0,0,0,0,1|2,0,0]=4 810 B16R2.179941 OC(=O)CCc1cccc2cc[n]cc12 Amb18353954 [1,0,0,0,0,1|2,0,0]=4 811 B16R2.179941 OC(=O)CCc1cccc2ccc[n]c12 Amb18354031 [1,0,0,0,0,1|2,0,0]=4 812 B16R2.179941 OC(=O)CNc1[n]ccc2ccccc21 Amb19098710 [1,0,0,0,0,1|2,0,0]=4 813 B16R2.179941 OC(=O)CNc1cc[n]c2ccccc21 Amb18291609 [1,0,0,0,0,1|1,0,1]=4 814 B16R2.179941 OC(=O)CNc1cnnc2c1cccc2 Amb17516754 [1,0,0,0,0,1|1,0,1]=4 815 B16R2.179941 OC(=O)CNc1ncnc2c1cccc2 Amb1210962 [1,0,0,0,0,1|1,0,1]=4 816 B16R2.179941 OC(=O)CNc1ncnc2ccccc12 Amb17740098 [1,0,0,0,0,1|1,0,1]=4 817 B16R2.179941 OC(=O)COc1[n]c[n]c2ccccc21 Amb21955589 [1,0,0,0,0,1|1,0,1]=4 818 B16R2.179941 OC(=O)COc1[n]ccc2ccccc21 Amb25857385 [1,0,0,0,0,1|2,0,0]=4 819 B16R2.179941 OC(=O)COc1c[n][n]c2ccccc21 Amb25193595 [1,0,0,0,0,1|1,0,1]=4 820 B16R2.179941 OC(=O)COc1cc[n]c2ccccc12 Amb22642035 [1,0,0,0,0,1|1,0,1]=4 821 B16R2.179941 OC(=O)COc1ncnc2c1cccc2 Amb2537185 [1,0,0,0,0,1|1,0,1]=4 822 B16R2.179941 OC(=O)CSc1cnnc2c1cccc2 Amb17516094 [1,0,0,0,0,1|1,0,1]=4 823 B16R2.179941 OC(=O)CSc1ncnc2c1cccc2 Amb1195853 [1,0,0,0,0,1|1,0,1]=4 824 B18R2.178 CN(CC(=O)O)CCc1c[nH]c2c1cccc2 Amb17345171 [0,0,0,0,0,2|2,0,0]=4 825 B18R2.179 N[C@@H](CSCc1c[nH]c2ccccc12)C(O)=O Amb24113527 [0,0,0,0,0,2|0,0,0]=2 826 B18R2.179 OC(=O)C(=O)NCCc1c[nH]c2c1cccc2 Amb17048343 [0,0,0,0,0,2|1,0,1]=4 827 B18R2.71948 NC(Cc1cc2ccccc2cc1)CC(O)=O Amb24061848 [0,0,0,0,0,2|1,0,0]=3 828 B18R2.71948 N[C@@H](Cc1cc2ccccc2cc1)CC(O)=O Amb22746268 [0,0,0,0,0,2|1,0,0]=3 829 B18R2.2880857 NC(Cc1cccc2ccccc12)CC(O)=O Amb24061846 [0,0,0,0,0,2|1,0,0]=3 830 B18R2.2880857 N[C@@H](Cc1cccc2ccccc12)CC(O)=O Amb22746266 [0,0,0,0,0,2|1,0,0]=3