0 B18R2.32800 CC(N)(c1ccccc1F)c2ccccc2Br Amb23949506 [0,0,0,0,0,0|3,0,0]=3 1 B18R2.32800 CC(O)(c1ccccc1Br)c2ccccc2Br Amb22547005 [0,0,0,0,0,0|3,0,0]=3 2 B18R2.32800 CC(O)(c1ccccc1F)c2ccccc2F Amb23949495 [0,0,0,0,0,0|3,0,0]=3 3 B18R2.32800 Oc1ccccc1S(=O)(=O)c2ccccc2O Amb17596884 [0,0,0,0,0,0|3,0,0]=3 4 B17R2.3434 CC(C)(c1ccccc1O)c2ccccc2 Amb24079809 [1,0,0,0,0,0|0,0,0]=1 5 B17R2.3434 Cc1[n]cccc1C(C)(C)c2ccccc2 Amb24084732 [1,0,0,0,0,0|2,0,0]=3 6 B17R2.3434 Cc1c[n]ccc1[Si](C)(C)c2ccccc2 Amb24103332 [1,0,0,0,0,0|2,1,0]=4 7 B17R2.3434 Cc1ccccc1C(F)(F)c2ccccc2 Amb20670180 [1,0,0,0,0,0|3,0,0]=4 8 B17R2.3434 Clc1ccccc1C(Cl)(Cl)c2ccccc2 Amb22054690 [1,0,0,0,0,0|3,0,0]=4 9 B17R2.3434 FC(F)(c1ccccc1Br)c2ccccc2 Amb20669908 [1,0,0,0,0,0|3,0,0]=4 10 B17R2.3434 FC(F)(c1ccccc1Cl)c2ccccc2 Amb19894591 [1,0,0,0,0,0|3,0,0]=4 11 B17R2.3434 Fc1ccccc1C(F)(F)c2ccccc2 Amb20670182 [1,0,0,0,0,0|3,0,0]=4 12 B17R2.20511 CN(c1ccccc1N)c2ccccc2Cl Amb22753620 [1,0,0,0,0,0|3,0,0]=4 13 B17R2.20511 Cc1ccccc1C(c2ccccc2C)N Amb17240973 [1,0,0,0,0,0|3,0,0]=4 14 B17R2.20511 Cc1ccccc1C(c2ccccc2C)O Amb10559121 [1,0,0,0,0,0|3,0,0]=4 15 B17R2.20511 Cc1ccccc1C(c2ccccc2Cl)O Amb17250536 [1,0,0,0,0,0|3,0,0]=4 16 B17R2.20511 Cc1ccccc1C(c2ccccc2F)N Amb17241964 [1,0,0,0,0,0|3,0,0]=4 17 B17R2.20511 Cc1ccccc1C(c2ccccc2F)O Amb17242244 [1,0,0,0,0,0|3,0,0]=4 18 B17R2.20511 Fc1ccccc1C(c2ccccc2Cl)N Amb17252612 [1,0,0,0,0,0|3,0,0]=4 19 B17R2.20511 Fc1ccccc1C(c2ccccc2Cl)O Amb17253366 [1,0,0,0,0,0|3,0,0]=4 20 B17R2.20511 Fc1ccccc1C(c2ccccc2F)N Amb17243561 [1,0,0,0,0,0|3,0,0]=4 21 B17R2.20511 Fc1ccccc1C(c2ccccc2F)O Amb17244113 [1,0,0,0,0,0|3,0,0]=4 22 B17R2.20511 OC(c1ccccc1Cl)c2ccccc2Br Amb22547017 [1,0,0,0,0,0|3,0,0]=4 23 B17R2.20511 Oc1ccccc1C(=N)c2ccccc2O Amb17595780 [1,0,0,0,0,0|1,0,1]=3 24 B17R2.20511 Oc1ccccc1C(O)c2ccccc2Cl Amb24105006 [1,0,0,0,0,0|2,0,0]=3 25 B19R2.29247 Cc1ccccc1[Si](C)(C)c2ccccc2CO Amb22167104 [0,1,0,0,0,0|1,1,0]=3 26 B19R2.50243 CC(O)(c1cccc(F)c1F)c2ccccc2Br Amb23978634 [0,1,0,0,0,0|3,0,0]=4 27 B19R2.50243 CC(O)(c1cccc(F)c1F)c2ccccc2Cl Amb23978632 [0,1,0,0,0,0|3,0,0]=4 28 B19R2.50243 CC(O)(c1ccccc1F)c2cccc(F)c2F Amb23978630 [0,1,0,0,0,0|3,0,0]=4 29 B19R2.50243 Cc1ccccc1C(C)(N)c2cccc(F)c2F Amb23978647 [0,1,0,0,0,0|3,0,0]=4 30 B19R2.103342 CC(N)(c1ccccc1Br)c2cc(Cl)ccc2Cl Amb23968408 [0,1,0,0,0,0|3,0,0]=4 31 B19R2.103342 CC(O)(c1ccccc1Br)c2cc(Cl)ccc2Cl Amb23968235 [0,1,0,0,0,0|3,0,0]=4 32 B19R2.103342 Cc1cc(c(C)cc1)C(C)(N)c2ccccc2F Amb23949507 [0,1,0,0,0,0|3,0,0]=4 33 B19R2.103342 Cc1cc(c(C)cc1)C(C)(O)c2ccccc2F Amb23949500 [0,1,0,0,0,0|3,0,0]=4 34 B19R2.310730 COC(C)(c1ccccc1Br)c2ccccc2Br Amb22546674 [0,1,0,0,0,0|2,0,0]=3 35 B19R2.310730 COC(C)(c1ccccc1Cl)c2ccccc2Br Amb22546995 [0,1,0,0,0,0|2,0,0]=3 36 B19R3.57797 NC1(CCc2ccccc12)c3ccccc3F Amb23949503 [0,0,0,1,0,0|3,0,0]=4 37 B16R2.2945 CC(O)(c1cccc[n]1)c2ccccc2 Amb22492030 [2,0,0,0,0,0|2,0,0]=4 38 B16R2.2945 CC(O)(c1ccccc1)c2cc[n]cc2 Amb21970324 [2,0,0,0,0,0|2,0,0]=4 39 B16R2.2945 CC(c1ccccc1)(c2ccccc2)O Amb2221720 [2,0,0,0,0,0|1,0,0]=3 40 B16R2.2945 CC(c1ccccn1)(c2ccccc2)O Amb2226916 [2,0,0,0,0,0|2,0,0]=4 41 B16R2.2945 CP(=O)(c1ccccc1)c2ccccc2 Amb1145649 [2,0,0,0,0,0|2,0,0]=4 42 B16R2.2945 C[Ge](C)(c1ccccc1)c2ccccc2 Amb19930260 [2,0,0,0,0,0|0,1,0]=3 43 B16R2.2945 C[Si](O)(c1ccccc1)c2ccccc2 Amb20242515 [2,0,0,0,0,0|1,1,0]=4 44 B16R2.2945 C[Sn](C)(c1ccccc1)c2ccccc2 Amb22045570 [2,0,0,0,0,0|1,0,0]=3 45 B16R2.2945 FC(c1ccccc1)(c2ccccc2)F Amb10838338 [2,0,0,0,0,0|2,0,0]=4 46 B16R2.3896 Brc1ccccc1C(Br)c2ccccc2 Amb25729804 [2,0,0,0,0,0|2,0,0]=4 47 B16R2.3896 Brc1ccccc1C(c2ccccc2)N Amb1128354 [2,0,0,0,0,0|2,0,0]=4 48 B16R2.3896 Brc1ccccc1C(c2ccccc2)O Amb1110955 [2,0,0,0,0,0|2,0,0]=4 49 B16R2.3896 CC(c1ccc[n]c1N)c2ccccc2 Amb18811626 [2,0,0,0,0,0|2,0,0]=4 50 B16R2.3896 CC(c1ccccc1O)c2ccccc2 Amb22270189 [2,0,0,0,0,0|0,0,0]=2 51 B16R2.3896 CN(c1ccccc1Cl)c2ccccc2 Amb24079962 [2,0,0,0,0,0|2,0,0]=4 52 B16R2.3896 Cc1ccccc1C(N)c2ccccc2 Amb22587224 [2,0,0,0,0,0|2,0,0]=4 53 B16R2.3896 Cc1ccccc1C(c2ccccc2)Cl Amb1675253 [2,0,0,0,0,0|2,0,0]=4 54 B16R2.3896 ClC(c1ccccc1Br)c2ccccc2 Amb24354768 [2,0,0,0,0,0|2,0,0]=4 55 B16R2.3896 Clc1ccccc1C(c2ccccc2)N Amb2383273 [2,0,0,0,0,0|2,0,0]=4 56 B16R2.3896 Fc1ccccc1C(c2ccccc2)O Amb17237429 [2,0,0,0,0,0|2,0,0]=4 57 B16R2.3896 Fc1ccccc1[C@@H](c2ccccc2)O Amb10838347 [2,0,0,0,0,0|2,0,0]=4 58 B16R2.3896 Fc1ccccc1[C@H](c2ccccc2)O Amb10838346 [2,0,0,0,0,0|2,0,0]=4 59 B16R2.3896 NC(c1ccccc1F)c2ccccc2 Amb21955552 [2,0,0,0,0,0|2,0,0]=4 60 B16R2.3896 Nc1ccccc1C(c2ccccc2)C Amb17595236 [2,0,0,0,0,0|1,0,0]=3 61 B16R2.3896 Nc1ccccc1C(c2ccccc2)N Amb17065414 [2,0,0,0,0,0|2,0,0]=4 62 B16R2.3896 Nc1ccccc1C(c2ccccc2)O Amb1109941 [2,0,0,0,0,0|2,0,0]=4 63 B16R2.3896 Nc1ccccc1N(c2ccccc2)C Amb1112322 [2,0,0,0,0,0|2,0,0]=4 64 B16R2.3896 Oc1ccc[n]c1C(O)c2ccccc2 Amb20248277 [2,0,0,0,0,0|2,0,0]=4 65 B16R2.3896 Oc1ccccc1C(c2ccccc2)O Amb2386881 [2,0,0,0,0,0|1,0,0]=3 66 B16R2.4062 Nc1ccccc1Cc2ccccc2N Amb17777120 [2,0,0,0,0,0|2,0,0]=4 67 B16R2.4062 Oc1ccccc1Nc2ccccc2O Amb18653487 [2,0,0,0,0,0|1,0,0]=3 68 B16R2.4062 Oc1ccccc1Oc2ccccc2Cl Amb23510195 [2,0,0,0,0,0|2,0,0]=4 69 B18R2.3083 C[Si](C)(c1ccccc1CO)c2c[n]ccc2 Amb22044056 [1,1,0,0,0,0|1,1,0]=4 70 B18R2.3083 C[Si](C)(c1ccccc1CO)c2ccccc2 Amb22044023 [1,1,0,0,0,0|0,1,0]=3 71 B18R2.6476 CC(O)(c1cccc(F)c1F)c2ccccc2 Amb23978628 [1,1,0,0,0,0|2,0,0]=4 72 B18R2.6538 Cc1cc(c(C)cc1)C(C)(O)c2ccccc2 Amb23547062 [1,1,0,0,0,0|2,0,0]=4 73 B18R2.6538 Clc1ccc(c(c1)C(c2ccccc2)(O)C)N Amb17610803 [1,1,0,0,0,0|2,0,0]=4 74 B18R2.9169 CC(C)(c1ccccc1O)c2ccc(O)cc2 Amb24080783 [1,1,0,0,0,0|0,0,0]=2 75 B18R2.10799 Cc1ccccc1C(NC)c2ccccc2F Amb23949526 [1,1,0,0,0,0|2,0,0]=4 76 B18R2.10799 OCC(c1ccccc1Cl)c2ccccc2Cl Amb22753535 [1,1,0,0,0,0|2,0,0]=4 77 B18R2.19217 COc1ccccc1C(N)c2ccccc2Cl Amb19148092 [1,1,0,0,0,0|2,0,0]=4 78 B18R2.19217 COc1ccccc1C(c2ccccc2C)N Amb17247786 [1,1,0,0,0,0|2,0,0]=4 79 B18R2.19217 COc1ccccc1C(c2ccccc2C)O Amb17248154 [1,1,0,0,0,0|2,0,0]=4 80 B18R2.19217 COc1ccccc1C(c2ccccc2Cl)O Amb17260507 [1,1,0,0,0,0|2,0,0]=4 81 B18R2.19217 COc1ccccc1C(c2ccccc2F)N Amb17249418 [1,1,0,0,0,0|2,0,0]=4 82 B18R2.19217 COc1ccccc1C(c2ccccc2F)O Amb17249975 [1,1,0,0,0,0|2,0,0]=4 83 B18R2.66883 Cc1ccc(c(c1)C(c2ccccc2O)C)O Amb10560915 [1,1,0,0,0,0|0,0,0]=2 84 B20R2.42666 COc1ccccc1[Si](C)(C)c2ccccc2CO Amb22044061 [0,2,0,0,0,0|0,1,0]=3 85 B18R3.38448 CC1(C=Cc2ccccc12)c3ccccc3 Amb17778906 [1,0,0,1,0,0|1,0,1]=4 86 B18R3.38448 CC1(C=Nc2ccccc12)c3ccccc3 Amb17843919 [1,0,0,1,0,0|1,0,1]=4 87 B18R3.38448 CC1(C=Nc2ccccc12)c3ccccc3 Amb17843920 [1,0,0,1,0,0|1,0,1]=4 88 B18R3.89742 OC1(Cc2cccc(F)c12)c3ccccc3 Amb17778826 [1,0,0,1,0,0|2,0,0]=4 89 B18R3.451086 C[Si]1(C)c2ccccc2Oc3ccccc13 Amb22347000 [1,0,0,1,0,0|0,1,0]=3 90 B18R3.102 Oc1ccccc1C2CCc3ccccc32 Amb22749342 [1,0,0,1,0,0|1,0,0]=3 91 B18R3.5898 Oc1cccc2Oc3ccccc3C(=O)c21 Amb18131362 [1,0,0,1,0,0|1,0,1]=4 92 B20R3.12970587 CC1(O)c2ccccc2OCOc3c1cccc3 Amb10817284 [0,1,0,1,0,0|1,0,0]=3 93 B20R4.2595 C1Cc2ccccc2C13CCc4ccccc34 Amb22235856 [0,0,0,2,0,0|2,0,0]=4 94 B18R2.32648 Cc1ccccc1C(C)Nc2ccccc2N Amb23931703 [1,0,0,0,0,1|2,0,0]=4