0 B20R2.29400 CC(C)[C@@H](N)CP(c1ccccc1)c2ccccc2 Amb22044690 [0,0,0,0,0,0|3,0,0]=3 1 B20R2.29400 CC(SC(c1ccccc1)c2ccccc2)C(=O)O Amb17501628 [0,0,0,0,0,0|4,0,0]=4 2 B19R2.12918 CCC(C)NC(c1ccccc1)c2ccccc2 Amb6685924 [1,0,0,0,0,0|2,0,0]=3 3 B19R2.12918 NNC(=O)CC(c1ccccc1)c2ccccc2 Amb6857897 [1,0,0,0,0,0|2,0,1]=4 4 B19R2.12918 O=C(CC(c1ccccc1)c2ccccc2)NO Amb17255589 [1,0,0,0,0,0|2,0,1]=4 5 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 Amb4004288 [1,0,0,0,0,0|0,0,0]=1 6 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccn2 Amb10843609 [1,0,0,0,0,0|1,0,0]=2 7 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccn2 Amb616509 [1,0,0,0,0,0|1,0,0]=2 8 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccn2 Amb8628617 [1,0,0,0,0,0|1,0,0]=2 9 B21R2.37627 CC(C)(C)[C@@H](N)CP(c1ccccc1)c2ccccc2 Amb22044916 [0,1,0,0,0,0|3,0,0]=4 10 B21R2.253017 CC(=O)C(C)(C)NC(c1ccccc1)c2ccccc2 Amb33718768 [0,1,0,0,0,0|3,0,0]=4 11 B21R3.20089 CC1C(=O)CN1C(c2ccccc2)c3ccccc3 Amb28989943 [0,0,0,1,0,0|3,0,0]=4 12 B21R3.20089 CC1C(O)CN1C(c2ccccc2)c3ccccc3 Amb33998125 [0,0,0,1,0,0|3,0,0]=4 13 B21R3.20089 C[C@@H]1C(=O)CN1C(c2ccccc2)c3ccccc3 Amb34164703 [0,0,0,1,0,0|3,0,0]=4 14 B21R3.20089 C[C@@H]1C(O)CN1C(c2ccccc2)c3ccccc3 Amb34146811 [0,0,0,1,0,0|3,0,0]=4 15 B21R3.20089 C[C@@H]1[C@@H](O)CN1C(c2ccccc2)c3ccccc3 Amb31291094 [0,0,0,1,0,0|3,0,0]=4 16 B21R3.20089 C[C@@H]1[C@H](N)CN1C(c2ccccc2)c3ccccc3 Amb34156798 [0,0,0,1,0,0|3,0,0]=4 17 B21R3.20089 C[C@@H]1[C@H](O)CN1C(c2ccccc2)c3ccccc3 Amb33715767 [0,0,0,1,0,0|3,0,0]=4 18 B21R3.20089 C[C@H]1C(=O)CN1C(c2ccccc2)c3ccccc3 Amb34913333 [0,0,0,1,0,0|3,0,0]=4 19 B21R3.20089 C[C@H]1C(O)CN1C(c2ccccc2)c3ccccc3 Amb34139364 [0,0,0,1,0,0|3,0,0]=4 20 B21R3.20089 C[C@H]1[C@@H](N)CN1C(c2ccccc2)c3ccccc3 Amb34159639 [0,0,0,1,0,0|3,0,0]=4 21 B21R3.20089 C[C@H]1[C@@H](O)CN1C(c2ccccc2)c3ccccc3 Amb34163526 [0,0,0,1,0,0|3,0,0]=4 22 B21R3.20089 C[C@H]1[C@H](O)CN1C(c2ccccc2)c3ccccc3 Amb33871493 [0,0,0,1,0,0|3,0,0]=4 23 B21R3.24132 O=C(O)C1CC1C(c2ccccc2)c3ccccc3 Amb33082934 [0,0,0,1,0,0|3,0,0]=4 24 B21R3.24132 O=C(O)[C@@H]1C[C@H]1C(c2ccccc2)c3ccccc3 Amb33082366 [0,0,0,1,0,0|3,0,0]=4 25 B21R3.3942400 CC1(C)C(N)C1C(c2ccccc2)c3ccccc3 Amb33082355 [0,0,0,1,0,0|2,0,0]=3 26 B21R3.3942400 CC1(C)[C@@H](N)[C@@H]1C(c2ccccc2)c3ccccc3 Amb33082293 [0,0,0,1,0,0|2,0,0]=3 27 B19R2.113616 CC(C(=O)O)C(c1ccccc1)c2ccccc2 Amb32953321 [0,0,0,0,1,0|3,0,0]=4 28 B19R2.113616 CN(C)C(=O)C(c1ccccc1)c2ccccc2 Amb3098852 [0,0,0,0,1,0|1,0,1]=3 29 B18R2.40 C#CCCC(c1ccccc1)c2ccccc2 Amb33082299 [2,0,0,0,0,0|1,0,1]=4 30 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 Amb6665885 [2,0,0,0,0,0|2,0,0]=4 31 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 Amb5739403 [2,0,0,0,0,0|0,0,0]=2 32 B18R2.40 N#CCCC(c1ccccc1)c2ccccc2 Amb2609144 [2,0,0,0,0,0|2,0,0]=4 33 B18R2.40 [C-]#[N+]CCC(c1ccccc1)c2ccccc2 Amb3973125 [2,0,0,0,0,0|0,0,2]=4 34 B18R2.7184 CC(=O)CC(c1ccccc1)c2ccccc2 Amb6357489 [2,0,0,0,0,0|1,0,1]=4 35 B18R2.7184 CC(C)NC(c1ccccc1)c2ccccc2 Amb6685538 [2,0,0,0,0,0|1,0,0]=3 36 B18R2.7184 CC(O)CC(c1ccccc1)c2ccccc2 Amb4061729 [2,0,0,0,0,0|1,0,0]=3 37 B18R2.7184 CN(O)CC(c1ccccc1)c2ccccc2 Amb33082060 [2,0,0,0,0,0|2,0,0]=4 38 B18R2.7184 C[C@@H](N)CC(c1ccccc1)c2ccccc2 Amb33082375 [2,0,0,0,0,0|0,0,0]=2 39 B18R2.7184 C[C@@H](O)CC(c1ccccc1)c2ccccc2 Amb33082272 [2,0,0,0,0,0|1,0,0]=3 40 B18R2.7184 C[C@H](N)CC(c1ccccc1)c2ccccc2 Amb33082959 [2,0,0,0,0,0|0,0,0]=2 41 B18R2.7184 C[C@H](O)CC(c1ccccc1)c2ccccc2 Amb33082271 [2,0,0,0,0,0|1,0,0]=3 42 B18R2.7184 N=C(N)CC(c1ccccc1)c2ccccc2 Amb33082310 [2,0,0,0,0,0|1,0,1]=4 43 B18R2.7184 NC(=O)CC(c1ccccc1)c2ccccc2 Amb1797501 [2,0,0,0,0,0|1,0,1]=4 44 B18R2.7184 NC(=S)CC(c1ccccc1)c2ccccc2 Amb18627057 [2,0,0,0,0,0|1,0,1]=4 45 B20R2.14082 CNCC(O)CN(c1ccccc1)c2ccccc2 Amb2571829 [1,1,0,0,0,0|2,0,0]=4 46 B20R2.240825 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2 Amb22167432 [1,1,0,0,0,0|1,0,0]=3 47 B20R2.240825 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2 Amb8387292 [1,1,0,0,0,0|1,0,0]=3 48 B20R2.240825 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2 Amb2709187 [1,1,0,0,0,0|1,0,0]=3 49 B20R2.240825 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2 Amb30526853 [1,1,0,0,0,0|1,0,0]=3 50 B20R2.240825 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2 Amb534720 [1,1,0,0,0,0|1,0,0]=3 51 B20R2.240825 CN(C)CC[C@@H](c1ccc(Cl)cc1)c2ccccn2 Amb32708512 [1,1,0,0,0,0|1,0,0]=3 52 B20R2.240825 CN(C)CC[C@@H](c1ccc(Cl)cc1)c2ccccn2 Amb8390302 [1,1,0,0,0,0|1,0,0]=3 53 B20R2.2714554 CC(C)(N)COC(c1ccccc1)c2ccccc2 Amb18111913 [1,1,0,0,0,0|2,0,0]=4 54 B20R2.24701 CC(C)C(N)C(O)(c1ccccc1)c2ccccc2 Amb17772971 [0,1,0,0,1,0|2,0,0]=4 55 B20R2.24701 CC(C)[C@@H](N)C(O)(c1ccccc1)c2ccccc2 Amb2725332 [0,1,0,0,1,0|2,0,0]=4 56 B20R2.24701 CC(C)[C@H](N)C(O)(c1ccccc1)c2ccccc2 Amb3941715 [0,1,0,0,1,0|2,0,0]=4 57 B22R2.48456 CC(CC(c1ccccc1)c2ccccc2)NC(C)(C)C Amb22269239 [0,1,0,0,0,1|1,0,0]=3 58 B20R3.800 NCC1CC1C(c2ccccc2)c3ccccc3 Amb33082937 [1,0,0,1,0,0|2,0,0]=4 59 B20R3.800 NC[C@@H]1C[C@H]1C(c2ccccc2)c3ccccc3 Amb33082367 [1,0,0,1,0,0|2,0,0]=4 60 B20R3.27675 CC1CC(c2ccccc2)(c3ccccc3)CN1 Amb8392616 [1,0,0,1,0,0|0,0,0]=2 61 B20R3.28653 CC1(C#N)CC1(c2ccccc2)c3ccccc3 Amb17596399 [1,0,0,1,0,0|2,0,0]=4 62 B20R3.30231 c1ccc(C(CC2CNC2)c3ccccc3)cc1 Amb33082082 [1,0,0,1,0,0|2,0,0]=4 63 B20R3.100854 NC1(CC(c2ccccc2)c3ccccc3)CC1 Amb33082270 [1,0,0,1,0,0|2,0,0]=4 64 B20R3.100854 OC1(CC(c2ccccc2)c3ccccc3)CC1 Amb33082303 [1,0,0,1,0,0|2,0,0]=4 65 B20R3.135244 CC1(C)CNC(c2ccccc2)c3ccccc31 Amb17106466 [1,0,0,1,0,0|2,0,0]=4 66 B20R3.651490 CC(=O)CCC1c2ccccc2-c3ccccc31 Amb33203258 [1,0,0,1,0,0|2,0,0]=4 67 B20R3.651490 CC(N)CCC1c2ccccc2-c3ccccc31 Amb33197886 [1,0,0,1,0,0|2,0,0]=4 68 B20R3.651490 CC(O)CCC1c2ccccc2-c3ccccc31 Amb33197885 [1,0,0,1,0,0|2,0,0]=4 69 B20R3.651490 C[C@@H](N)CCC1c2ccccc2-c3ccccc31 Amb33197882 [1,0,0,1,0,0|2,0,0]=4 70 B20R3.651490 C[C@@H](O)CCC1c2ccccc2-c3ccccc31 Amb33197883 [1,0,0,1,0,0|2,0,0]=4 71 B20R3.651490 C[C@H](N)CCC1c2ccccc2-c3ccccc31 Amb33197881 [1,0,0,1,0,0|2,0,0]=4 72 B20R3.651490 C[C@H](O)CCC1c2ccccc2-c3ccccc31 Amb33197884 [1,0,0,1,0,0|2,0,0]=4 73 B22R3.371757 CC1(C)C(N)CN1C(c2ccccc2)c3ccccc3 Amb31028897 [0,0,0,1,0,1|2,0,0]=4 74 B22R3.371757 CC1(C)C(O)CN1C(c2ccccc2)c3ccccc3 Amb31308522 [0,0,0,1,0,1|2,0,0]=4 75 B22R3.371757 CC1(C)[C@@H](O)CN1C(c2ccccc2)c3ccccc3 Amb34165603 [0,0,0,1,0,1|2,0,0]=4 76 B22R3.371757 CC1(C)[C@H](O)CN1C(c2ccccc2)c3ccccc3 Amb34161789 [0,0,0,1,0,1|2,0,0]=4 77 B22R3.41064905 CN(C)CC(O)Cn1c2ccccc2c3ccccc31 Amb2571426 [0,0,0,1,0,1|2,0,0]=4 78 B22R3.56098 CC1C(CO)CN1C(c2ccccc2)c3ccccc3 Amb34913177 [0,1,0,1,0,0|2,0,0]=4 79 B22R3.148640 CC1(C)C(CN)C1C(c2ccccc2)c3ccccc3 Amb33082354 [0,1,0,1,0,0|1,0,0]=3 80 B22R3.148640 CC1(C)[C@@H](CN)[C@@H]1C(c2ccccc2)c3ccccc3 Amb33082291 [0,1,0,1,0,0|1,0,0]=3 81 B22R3.23485149 CC(CN1c2ccccc2Sc3ccccc31)N(C)C Amb4468150 [0,1,0,1,0,0|1,0,0]=3 82 B22R3.23485149 CC(CN1c2ccccc2Sc3ccccc31)N(C)C Amb6298807 [0,1,0,1,0,0|1,0,0]=3 83 B22R3.23485149 CC(CN1c2ccccc2Sc3cccnc31)N(C)C Amb22729570 [0,1,0,1,0,0|2,0,0]=4 84 B22R3.23485149 CN(C)N(C)CN1c2ccccc2Sc3ccccc31 Amb9871428 [0,1,0,1,0,0|2,0,0]=4 85 B18R2.2312 C#CC(C)C(c1ccccc1)c2ccccc2 Amb33082274 [1,0,0,0,1,0|1,0,1]=4 86 B18R2.2312 CC(C#N)C(c1ccccc1)c2ccccc2 Amb8950037 [1,0,0,0,1,0|2,0,0]=4 87 B18R2.2312 CC(C=O)C(c1ccccc1)c2ccccc2 Amb33081942 [1,0,0,0,1,0|2,0,0]=4 88 B18R2.2312 CC(CN)C(c1ccccc1)c2ccccc2 Amb8950133 [1,0,0,0,1,0|2,0,0]=4 89 B18R2.2312 CC(ON)C(c1ccccc1)c2ccccc2 Amb33082268 [1,0,0,0,1,0|2,0,0]=4 90 B18R2.2312 [C-]#[N+]C(C)C(c1ccccc1)c2ccccc2 Amb33082044 [1,0,0,0,1,0|0,0,2]=4 91 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ccccn2 Amb3499358 [1,0,0,0,0,1|2,0,0]=4 92 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ccccn2 Amb4009958 [1,0,0,0,0,1|2,0,0]=4 93 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 Amb6621110 [1,0,0,0,0,1|1,0,0]=3 94 B20R2.10799 CN(C)CCCC(c1ccccc1)c2ccccc2 Amb3696868 [1,0,0,0,0,1|0,0,0]=2 95 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 Amb1821836 [1,0,0,0,0,1|0,0,0]=2 96 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 Amb20243141 [1,0,0,0,0,1|0,0,0]=2 97 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 Amb6365435 [1,0,0,0,0,1|0,0,0]=2 98 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 Amb8397246 [1,0,0,0,0,1|0,0,0]=2