0 B20R2.10799 CC(C)CCNC(c1ccccc1)c2ccccc2 Amb6621110 [0,0,0,0,0,0|2,0,0]=2 1 B20R2.10799 CN(C)CCCC(c1ccccc1)c2ccccc2 Amb3696868 [0,0,0,0,0,0|1,0,0]=1 2 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 Amb1821836 [0,0,0,0,0,0|0,0,0]=0 3 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 Amb20243141 [0,0,0,0,0,0|0,0,0]=0 4 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 Amb6365435 [0,0,0,0,0,0|0,0,0]=0 5 B20R2.10799 CN(C)CCOC(c1ccccc1)c2ccccc2 Amb8397246 [0,0,0,0,0,0|0,0,0]=0 6 B20R2.10799 O=C(O)CCSC(c1ccccc1)c2ccccc2 Amb32411269 [0,0,0,0,0,0|3,1,0]=4 7 B19R2.2474 CNCCCC(c1ccccc1)c2ccccc2 Amb8383805 [1,0,0,0,0,0|1,0,0]=2 8 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 Amb10810350 [1,0,0,0,0,0|0,0,0]=1 9 B19R2.2474 CNCCOC(c1ccccc1)c2ccccc2 Amb16231486 [1,0,0,0,0,0|0,0,0]=1 10 B19R2.2474 N#CCCNC(c1ccccc1)c2ccccc2 Amb6736553 [1,0,0,0,0,0|3,0,0]=4 11 B19R2.2474 NCCCNC(c1ccccc1)c2ccccc2 Amb17315296 [1,0,0,0,0,0|3,0,0]=4 12 B19R2.2474 NCCCOC(c1ccccc1)c2ccccc2 Amb18630482 [1,0,0,0,0,0|2,0,0]=3 13 B19R2.2474 NCCCSC(c1ccccc1)c2ccccc2 Amb17500715 [1,0,0,0,0,0|2,1,0]=4 14 B19R2.2474 OCCCNC(c1ccccc1)c2ccccc2 Amb6733734 [1,0,0,0,0,0|3,0,0]=4 15 B21R2.205989 CN(C)CCCC(c1ccccc1)c2ccccc2O Amb24089873 [0,1,0,0,0,0|1,0,0]=2 16 B21R2.205989 Cc1ccccc1C(OCCN(C)C)c2ccccc2 Amb10609972 [0,1,0,0,0,0|0,0,0]=1 17 B21R2.252285 CN(C)CCOC(C)(c1ccccc1)c2ccccc2 Amb22235651 [0,1,0,0,0,0|0,0,0]=1 18 B21R2.252285 CN(C)CCOC(C)(c1ccccc1)c2ccccc2 Amb29838273 [0,1,0,0,0,0|0,0,0]=1 19 B21R2.252285 CN(C)CCOC(C)(c1ccccc1)c2ccccn2 Amb8387286 [0,1,0,0,0,0|1,0,0]=2 20 B21R2.252285 CN(C)CCOC(C)(c1ccccc1)c2ccccn2 Amb8628619 [0,1,0,0,0,0|1,0,0]=2 21 B21R2.366996 CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2 Amb6370352 [0,1,0,0,0,0|1,0,0]=2 22 B21R2.366996 CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2 Amb6872196 [0,1,0,0,0,0|1,0,0]=2 23 B21R2.366996 CN(C)CCOC(c1ccc(Cl)cc1)c2ccccn2 Amb8387290 [0,1,0,0,0,0|1,0,0]=2 24 B21R2.366996 CN(C)CCOC(c1ccccc1)c2ccc(N)cc2 Amb24105793 [0,1,0,0,0,0|0,0,0]=1 25 B21R2.402445 CN(C)\C=C\C(=O)C(c1ccccc1)c2ccccc2 Amb2736037 [0,1,0,0,0,0|1,0,2]=4 26 B21R3.12150 CN1CCOC(c2ccccc2)c3ccccc3C1 Amb4054790 [0,0,0,1,0,0|0,0,0]=1 27 B21R3.12150 CN1CCOC(c2ccccc2)c3ccccc3C1 Amb6365432 [0,0,0,1,0,0|0,0,0]=1 28 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccc2 Amb4004288 [0,0,0,0,1,0|0,0,0]=1 29 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccn2 Amb10843609 [0,0,0,0,1,0|1,0,0]=2 30 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccn2 Amb616509 [0,0,0,0,1,0|1,0,0]=2 31 B19R2.13577 CN(C)CCC(c1ccccc1)c2ccccn2 Amb8628617 [0,0,0,0,1,0|1,0,0]=2 32 B19R2.13577 O=C(O)COC(c1ccccc1)c2ccccc2 Amb2655945 [0,0,0,0,1,0|3,0,0]=4 33 B21R2.12898 CN(C)CCCNC(c1ccccc1)c2ccccc2 Amb6699385 [0,0,0,0,0,1|1,0,0]=2 34 B18R2.40 BrCCOC(c1ccccc1)c2ccccc2 Amb463301 [2,0,0,0,0,0|1,0,0]=3 35 B18R2.40 C#CCCC(c1ccccc1)c2ccccc2 Amb33082299 [2,0,0,0,0,0|1,0,1]=4 36 B18R2.40 CCCNC(c1ccccc1)c2ccccc2 Amb6665885 [2,0,0,0,0,0|1,0,0]=3 37 B18R2.40 CNCCC(c1ccccc1)c2ccccc2 Amb5739403 [2,0,0,0,0,0|0,0,0]=2 38 B18R2.40 ClCCOC(c1ccccc1)c2ccccc2 Amb2720873 [2,0,0,0,0,0|1,0,0]=3 39 B18R2.40 N#CCCC(c1ccccc1)c2ccccc2 Amb2609144 [2,0,0,0,0,0|2,0,0]=4 40 B18R2.40 NCCNC(c1ccccc1)c2ccccc2 Amb32855313 [2,0,0,0,0,0|1,0,0]=3 41 B18R2.40 NCCOB(c1ccccc1)c2ccccc2 Amb3940556 [2,0,0,0,0,0|1,0,0]=3 42 B18R2.40 NCCSC(c1ccccc1)c2ccccc2 Amb17500466 [2,0,0,0,0,0|0,1,0]=3 43 B18R2.40 NC\C=C\C(c1ccccc1)c2ccccc2 Amb33082390 [2,0,0,0,0,0|1,0,1]=4 44 B18R2.40 OCCNC(c1ccccc1)c2ccccc2 Amb7754215 [2,0,0,0,0,0|2,0,0]=4 45 B18R2.40 [C-]#[N+]CCC(c1ccccc1)c2ccccc2 Amb3973125 [2,0,0,0,0,0|0,0,2]=4 46 B20R2.2498 CNCCOC(c1ccccc1)c2cccc(C)c2 Amb32410596 [1,1,0,0,0,0|0,0,0]=2 47 B20R2.4159 CCCCCNC(c1ccccc1)c2ccccc2 Amb6646539 [1,1,0,0,0,0|2,0,0]=4 48 B20R2.4159 CCNCCOC(c1ccccc1)c2ccccc2 Amb2655885 [1,1,0,0,0,0|0,0,0]=2 49 B20R2.4159 NCCCCSC(c1ccccc1)c2ccccc2 Amb17500968 [1,1,0,0,0,0|1,1,0]=4 50 B20R2.14082 CNCC(=O)NC(c1ccccc1)c2ccccc2 Amb21953931 [1,1,0,0,0,0|1,0,1]=4 51 B20R2.14082 CNCC(=O)NC(c1ccccc1)c2ccccc2 Amb28729036 [1,1,0,0,0,0|1,0,1]=4 52 B20R2.14082 CNCC(=O)NC(c1ccccc1)c2ccccc2 Amb7088897 [1,1,0,0,0,0|1,0,1]=4 53 B20R2.14082 CNCC(O)CN(c1ccccc1)c2ccccc2 Amb2571829 [1,1,0,0,0,0|2,0,0]=4 54 B20R2.19886 CNCCOC(C)(c1ccccc1)c2ccccn2 Amb24066833 [1,1,0,0,0,0|1,0,0]=3 55 B20R2.29400 CC(C)[C@@H](N)CP(c1ccccc1)c2ccccc2 Amb22044690 [0,1,0,0,1,0|2,0,0]=4 56 B20R2.240825 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2 Amb22167432 [0,1,0,0,1,0|1,0,0]=3 57 B20R2.240825 CN(C)CCC(c1ccc(Br)cc1)c2ccccn2 Amb8387292 [0,1,0,0,1,0|1,0,0]=3 58 B20R2.240825 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2 Amb2709187 [0,1,0,0,1,0|1,0,0]=3 59 B20R2.240825 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2 Amb30526853 [0,1,0,0,1,0|1,0,0]=3 60 B20R2.240825 CN(C)CCC(c1ccc(Cl)cc1)c2ccccn2 Amb534720 [0,1,0,0,1,0|1,0,0]=3 61 B20R2.240825 CN(C)CC[C@@H](c1ccc(Cl)cc1)c2ccccn2 Amb32708512 [0,1,0,0,1,0|1,0,0]=3 62 B20R2.240825 CN(C)CC[C@@H](c1ccc(Cl)cc1)c2ccccn2 Amb8390302 [0,1,0,0,1,0|1,0,0]=3 63 B20R2.2714554 CC(C)(N)COC(c1ccccc1)c2ccccc2 Amb18111913 [0,1,0,0,1,0|1,0,0]=3 64 B22R2.359629 CN(C)CCOC(=O)C(c1ccccc1)c2ccccc2 Amb1826140 [0,1,0,0,0,1|0,0,0]=2 65 B22R2.15060 CCN(CC)CC#CC(c1ccccc1)c2ccccc2 Amb603124 [0,2,0,0,0,0|1,0,1]=4 66 B22R2.531953 Cc1ccc(C(OCC[N+](C)(C)C)c2ccccc2)cc1 Amb8505551 [0,2,0,0,0,0|0,0,1]=3 67 B22R2.3903625 CN(C)CCOC(C)(c1ccccc1)c2ccc(Br)cc2 Amb22233546 [0,2,0,0,0,0|0,0,0]=2 68 B22R2.3903625 CN(C)CCOC(C)(c1ccccc1)c2ccc(Cl)cc2 Amb8628030 [0,2,0,0,0,0|0,0,0]=2 69 B20R3.2741 c1ccc(C(c2ccccc2)C3CCNC3)cc1 Amb23555784 [1,0,0,1,0,0|1,0,0]=3 70 B20R3.30135 c1ccc(C(OCC2CO2)c3ccccc3)cc1 Amb415178 [1,0,0,1,0,0|1,0,0]=3 71 B20R3.30137 c1ccc(C2OCCNCc3ccccc32)cc1 Amb2797785 [1,0,0,1,0,0|0,0,0]=2 72 B20R3.30231 c1ccc(C(CC2CNC2)c3ccccc3)cc1 Amb33082082 [1,0,0,1,0,0|1,0,0]=3 73 B20R3.30231 c1ccc(C(OC2CNC2)c3ccccc3)cc1 Amb33082392 [1,0,0,1,0,0|0,0,0]=2 74 B20R3.93583 CN1CCNC(c2ccccc2)c3ccccc31 Amb31120347 [1,0,0,1,0,0|1,0,0]=3 75 B20R3.93583 CN1CCNC(c2ccccn2)c3ccccc31 Amb31137765 [1,0,0,1,0,0|2,0,0]=4 76 B20R3.93583 CN1CCNC(c2cccnc2)c3ccccc31 Amb31137766 [1,0,0,1,0,0|2,0,0]=4 77 B20R3.93583 CN1CCNC(c2ccncc2)c3ccccc31 Amb31137767 [1,0,0,1,0,0|2,0,0]=4 78 B20R3.2028422 c1ccc(C2(c3ccccc3)CCCNC2)cc1 Amb10068894 [1,0,0,1,0,0|1,0,0]=3 79 B20R3.2028422 c1ccc(C2(c3ccccc3)CNCCN2)cc1 Amb8630757 [1,0,0,1,0,0|1,0,0]=3 80 B20R3.2040304 CNCCCn1c2ccccc2c3ccccc31 Amb32661113 [1,0,0,1,0,0|2,0,0]=4 81 B20R3.2040304 NCCCOC1c2ccccc2-c3ccccc31 Amb33200161 [1,0,0,1,0,0|2,0,0]=4 82 B20R3.27675 CC1CC(c2ccccc2)(c3ccccc3)CN1 Amb8392616 [0,0,0,1,1,0|2,0,0]=4 83 B20R3.135244 CC1(C)CNC(c2ccccc2)c3ccccc31 Amb17106466 [0,0,0,1,1,0|2,0,0]=4 84 B20R3.651490 CC(=O)CCC1c2ccccc2-c3ccccc31 Amb33203258 [0,0,0,1,1,0|2,0,0]=4 85 B20R3.651490 CC(N)CCC1c2ccccc2-c3ccccc31 Amb33197886 [0,0,0,1,1,0|2,0,0]=4 86 B20R3.651490 CC(O)CCC1c2ccccc2-c3ccccc31 Amb33197885 [0,0,0,1,1,0|2,0,0]=4 87 B20R3.651490 C[C@@H](N)CCC1c2ccccc2-c3ccccc31 Amb33197882 [0,0,0,1,1,0|2,0,0]=4 88 B20R3.651490 C[C@@H](O)CCC1c2ccccc2-c3ccccc31 Amb33197883 [0,0,0,1,1,0|2,0,0]=4 89 B20R3.651490 C[C@H](N)CCC1c2ccccc2-c3ccccc31 Amb33197881 [0,0,0,1,1,0|2,0,0]=4 90 B20R3.651490 C[C@H](O)CCC1c2ccccc2-c3ccccc31 Amb33197884 [0,0,0,1,1,0|2,0,0]=4 91 B22R3.1191 CN1CCN(C(c2ccccc2)c3ccccc3)CC1 Amb16192643 [0,1,0,1,0,0|1,0,0]=3 92 B22R3.1191 NN1CCN(C(c2ccccc2)c3ccccc3)CC1 Amb1107258 [0,1,0,1,0,0|2,0,0]=4 93 B22R3.1191 NN1CCN(C(c2ccccc2)c3ccccc3)CC1 Amb6892915 [0,1,0,1,0,0|2,0,0]=4 94 B22R3.1151891 N#CN1CCOC(c2ccccc2)c3ccccc3C1 Amb8394867 [0,1,0,1,0,0|0,0,1]=3 95 B22R3.371757 CC1(C)C(N)CN1C(c2ccccc2)c3ccccc3 Amb31028897 [0,1,0,1,0,0|2,0,0]=4 96 B22R3.371757 CC1(C)C(O)CN1C(c2ccccc2)c3ccccc3 Amb31308522 [0,1,0,1,0,0|2,0,0]=4 97 B22R3.371757 CC1(C)[C@@H](O)CN1C(c2ccccc2)c3ccccc3 Amb34165603 [0,1,0,1,0,0|2,0,0]=4 98 B22R3.371757 CC1(C)[C@H](O)CN1C(c2ccccc2)c3ccccc3 Amb34161789 [0,1,0,1,0,0|2,0,0]=4 99 B22R3.41064905 CN(C)CC(O)Cn1c2ccccc2c3ccccc31 Amb2571426 [0,1,0,1,0,0|2,0,0]=4 100 B22R3.16182945 CN(C)CCCN1c2ccccc2Sc3ccccc31 Amb17939389 [0,1,0,1,0,0|2,0,0]=4 101 B22R3.16182945 CN(C)CCCN1c2ccccc2Sc3ccccc31 Amb6296154 [0,1,0,1,0,0|2,0,0]=4 102 B18R2.7184 CC(=O)CC(c1ccccc1)c2ccccc2 Amb6357489 [0,0,0,0,2,0|2,0,0]=4 103 B18R2.7184 CC(C)NC(c1ccccc1)c2ccccc2 Amb6685538 [0,0,0,0,2,0|2,0,0]=4 104 B18R2.7184 CC(O)CC(c1ccccc1)c2ccccc2 Amb4061729 [0,0,0,0,2,0|2,0,0]=4 105 B18R2.7184 CN(O)CC(c1ccccc1)c2ccccc2 Amb33082060 [0,0,0,0,2,0|1,0,0]=3 106 B18R2.7184 C[C@@H](N)CC(c1ccccc1)c2ccccc2 Amb33082375 [0,0,0,0,2,0|2,0,0]=4 107 B18R2.7184 C[C@@H](O)CC(c1ccccc1)c2ccccc2 Amb33082272 [0,0,0,0,2,0|2,0,0]=4 108 B18R2.7184 C[C@H](N)CC(c1ccccc1)c2ccccc2 Amb33082959 [0,0,0,0,2,0|2,0,0]=4 109 B18R2.7184 C[C@H](O)CC(c1ccccc1)c2ccccc2 Amb33082271 [0,0,0,0,2,0|2,0,0]=4 110 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ccccn2 Amb3499358 [0,0,0,0,1,1|2,0,0]=4 111 B20R2.10559 CN(C)CCN(Cc1ccccc1)c2ccccn2 Amb4009958 [0,0,0,0,1,1|2,0,0]=4