0 B17R2.5753 CCOc1cc(C2CC(C)CN2)ccc1O Amb3789503 [0,0,0,0,0,0|2,0,0]=2 1 B17R2.5753 CCOc1cc(C2CNC(=O)O2)ccc1O Amb33376039 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.5753 CCOc1cc(C2OCC(C)O2)ccc1O Amb22168453 [0,0,0,0,0,0|0,0,0]=0 3 B16R2.95 CCOc1cccc(C2CC(=O)CO2)c1 Amb35726645 [1,0,0,0,0,0|2,0,1]=4 4 B16R2.95 CCOc1cccc(C2CC(C)CN2)c1 Amb3788849 [1,0,0,0,0,0|2,0,0]=3 5 B16R2.95 CCOc1cccc(C2CCC(Br)C2)c1 Amb27834627 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.539 CCOc1cc(C2CCCN2)ccc1O Amb33448498 [1,0,0,0,0,0|2,0,0]=3 7 B16R2.539 CCOc1cc(C2CCNC2)ccc1O Amb32954674 [1,0,0,0,0,0|3,0,0]=4 8 B16R2.2324 COc1cc(C2CC(C)CN2)ccc1O Amb3788914 [1,0,0,0,0,0|2,0,0]=3 9 B16R2.2324 COc1cc(C2OCC(C)O2)ccc1O Amb22234885 [1,0,0,0,0,0|0,0,0]=1 10 B16R2.2324 COc1cc([C@@H]2C[C@H](C)CN2)ccc1F Amb18775506 [1,0,0,0,0,0|3,0,0]=4 11 B16R1.1502 CCCOC(=O)c1ccc(N)c(OCC)c1 Amb17208796 [0,0,1,0,0,0|1,0,2]=4 12 B16R1.12733 CCOc1cc(CCCC(=O)O)ccc1O Amb32954232 [0,0,1,0,0,0|2,0,1]=4 13 B16R1.12733 CCOc1cc(CNCC(C)C)ccc1O Amb19890788 [0,0,1,0,0,0|2,0,0]=3 14 B16R1.12733 CCOc1cc(CNCC(C)C)ccc1O Amb6685966 [0,0,1,0,0,0|2,0,0]=3 15 B16R1.12748 CCOc1cc(C(=O)OC(C)C)ccc1N Amb17208863 [0,0,1,0,0,0|1,0,2]=4 16 B16R1.12750 CCOc1cc(CNC(C)CC)ccc1O Amb20673651 [0,0,1,0,0,0|2,0,0]=3 17 B16R1.12750 CCOc1cc(CNC(C)CC)ccc1O Amb9740384 [0,0,1,0,0,0|2,0,0]=3 18 B18R3.2942 C[C@H]1CN[C@@H](c2ccc3c(c2)OCCO3)C1 Amb18767680 [0,0,0,1,0,0|2,0,0]=3 19 B18R3.2942 FC1CNC(c2ccc3c(c2)OCCO3)C1 Amb32991740 [0,0,0,1,0,0|3,0,0]=4 20 B18R3.2942 O=C1CCC(c2ccc3c(c2)OCCO3)O1 Amb17341584 [0,0,0,1,0,0|2,0,1]=4 21 B15R1.9230 CCOC(=O)c1ccc(O)c(OCC)c1 Amb17509269 [1,0,1,0,0,0|0,0,2]=4 22 B15R1.9230 CCOc1cc(C(C)CCN)ccc1O Amb33376431 [1,0,1,0,0,0|2,0,0]=4 23 B15R1.9230 CCOc1cc(C(F)CCN)ccc1O Amb33376393 [1,0,1,0,0,0|2,0,0]=4 24 B15R1.9230 CCOc1cc(C(N)CCO)ccc1O Amb33449679 [1,0,1,0,0,0|2,0,0]=4 25 B15R1.9230 CCOc1cc(C(O)CC#N)ccc1O Amb33376107 [1,0,1,0,0,0|1,0,1]=4 26 B15R1.9230 CCOc1cc(C(O)CCN)ccc1O Amb33376438 [1,0,1,0,0,0|1,0,0]=3 27 B15R1.9230 CCOc1cc(C(O)CNC)ccc1O Amb33376427 [1,0,1,0,0,0|1,0,0]=3 28 B15R1.9230 CCOc1cc([C@@H](O)CCN)ccc1O Amb33376388 [1,0,1,0,0,0|1,0,0]=3 29 B15R1.9230 CCOc1cc([C@H](O)CCN)ccc1O Amb33376389 [1,0,1,0,0,0|1,0,0]=3 30 B15R1.1193 CCCNCc1ccc(O)c(OCC)c1 Amb19892198 [1,0,1,0,0,0|1,0,0]=3 31 B15R1.1193 CCCNCc1ccc(O)c(OCC)c1 Amb6270234 [1,0,1,0,0,0|1,0,0]=3 32 B15R1.1193 CCOc1cc(CCCCN)ccc1O Amb33376071 [1,0,1,0,0,0|2,0,0]=4 33 B15R1.1193 CCOc1cc(CNCCO)ccc1O Amb7757036 [1,0,1,0,0,0|1,0,0]=3 34 B15R1.1243 CCCOC(=O)c1ccc(O)c(OC)c1 Amb2663351 [1,0,1,0,0,0|0,0,2]=4 35 B15R1.568 CCOc1cccc(CNCC(C)C)c1 Amb17140195 [1,0,1,0,0,0|2,0,0]=4 36 B15R1.568 CCOc1cccc(CNCC(C)O)c1 Amb17140425 [1,0,1,0,0,0|1,0,0]=3 37 B15R1.4030 COc1cc(CNCC(C)C)ccc1O Amb19890492 [1,0,1,0,0,0|2,0,0]=4 38 B15R1.4030 COc1cc(CNCC(C)C)ccc1O Amb6685957 [1,0,1,0,0,0|2,0,0]=4 39 B15R1.531 CCOc1cc(CCC(C)N)ccc1O Amb17507321 [1,0,1,0,0,0|2,0,0]=4 40 B15R1.531 CCOc1cc(CCC(C)O)ccc1O Amb17507256 [1,0,1,0,0,0|1,0,0]=3 41 B15R1.531 CCOc1cc(CC[C@@H](C)N)ccc1O Amb33358363 [1,0,1,0,0,0|2,0,0]=4 42 B15R1.531 CCOc1cc(CC[C@@H](C)O)ccc1O Amb33376075 [1,0,1,0,0,0|1,0,0]=3 43 B15R1.531 CCOc1cc(CC[C@H](C)N)ccc1O Amb33429853 [1,0,1,0,0,0|2,0,0]=4 44 B15R1.531 CCOc1cc(CC[C@H](C)O)ccc1O Amb33376104 [1,0,1,0,0,0|1,0,0]=3 45 B15R1.531 CCOc1cc(CNC(C)C)ccc1O Amb20673463 [1,0,1,0,0,0|1,0,0]=3 46 B15R1.531 CCOc1cc(CNC(C)C)ccc1O Amb6685381 [1,0,1,0,0,0|1,0,0]=3 47 B15R1.4037 COc1cc(C(=O)OC(C)C)ccc1O Amb18276773 [1,0,1,0,0,0|0,0,2]=4 48 B15R1.569 CCOc1cccc(CNC(C)CC)c1 Amb17140196 [1,0,1,0,0,0|2,0,0]=4 49 B15R1.569 CCOc1cccc(CNC(C)CO)c1 Amb33044370 [1,0,1,0,0,0|1,0,0]=3 50 B15R1.4039 CCC(C)NCc1ccc(O)c(OC)c1 Amb19890682 [1,0,1,0,0,0|2,0,0]=4 51 B15R1.4039 CCC(C)NCc1ccc(O)c(OC)c1 Amb9740368 [1,0,1,0,0,0|2,0,0]=4 52 B15R2.18 COc1cccc(C2CC(C)CN2)c1 Amb3788471 [2,0,0,0,0,0|2,0,0]=4 53 B15R2.18 COc1cccc(C2CC(N)CO2)c1 Amb29861284 [2,0,0,0,0,0|2,0,0]=4 54 B15R2.18 COc1cccc(C2CC(O)CO2)c1 Amb35700377 [2,0,0,0,0,0|2,0,0]=4 55 B15R2.18 COc1cccc([C@@H]2C[C@H](C)CN2)c1 Amb18818125 [2,0,0,0,0,0|2,0,0]=4 56 B15R2.68 CCOc1cccc(C2CCCN2)c1 Amb24089802 [2,0,0,0,0,0|2,0,0]=4 57 B15R2.68 CCOc1cccc(C2CNCO2)c1 Amb18565234 [2,0,0,0,0,0|2,0,0]=4 58 B15R2.68 CCOc1cccc(C2NCCO2)c1 Amb17336601 [2,0,0,0,0,0|1,0,0]=3 59 B15R2.68 CCOc1cccc(C2OCCO2)c1 Amb17336805 [2,0,0,0,0,0|0,0,0]=2 60 B15R2.68 CCOc1cccc([C@@H]2CCCN2)c1 Amb27748311 [2,0,0,0,0,0|2,0,0]=4 61 B15R2.68 CCOc1cccc([C@H]2CCCN2)c1 Amb28437278 [2,0,0,0,0,0|2,0,0]=4 62 B15R2.68 OCCc1cccc(C2OCCO2)c1 Amb27817520 [2,0,0,0,0,0|2,0,0]=4 63 B15R2.2234 COc1cc(C2CCCN2)ccc1O Amb28247941 [2,0,0,0,0,0|2,0,0]=4 64 B15R2.2234 COc1cc(C2NCCO2)ccc1O Amb17336923 [2,0,0,0,0,0|1,0,0]=3 65 B15R2.2234 COc1cc(C2OCCO2)ccc1F Amb25111602 [2,0,0,0,0,0|1,0,0]=3 66 B15R2.2234 COc1cc(C2OCCO2)ccc1O Amb17337063 [2,0,0,0,0,0|0,0,0]=2 67 B15R2.2234 COc1cc(C2OCCS2)ccc1O Amb27972962 [2,0,0,0,0,0|0,1,0]=3 68 B15R2.2234 COc1cc(C2SCCS2)ccc1O Amb35811 [2,0,0,0,0,0|0,2,0]=4 69 B15R2.2234 COc1cc([C@@H]2CCCN2)ccc1O Amb27488651 [2,0,0,0,0,0|2,0,0]=4 70 B15R2.2234 COc1cc([C@H]2CCCN2)ccc1O Amb27817735 [2,0,0,0,0,0|2,0,0]=4 71 B15R2.2234 NCc1cc(C2OCCO2)ccc1F Amb33328906 [2,0,0,0,0,0|2,0,0]=4 72 B15R2.299 CC1CNC(c2ccc(O)c(O)c2)C1 Amb27873284 [2,0,0,0,0,0|2,0,0]=4 73 B15R2.299 C[C@@H]1CN[C@H](c2ccc(O)c(O)c2)C1 Amb27800791 [2,0,0,0,0,0|2,0,0]=4 74 B15R2.299 C[C@H]1CN[C@@H](c2ccc(O)c(O)c2)C1 Amb18816107 [2,0,0,0,0,0|2,0,0]=4 75 B17R1.16953 CCOc1cc(CNC[C@@H](O)CO)ccc1O Amb33041860 [0,1,1,0,0,0|1,0,0]=3 76 B17R1.16980 CCOc1cc(CNCC(C)C)ccc1OC Amb6719696 [0,1,1,0,0,0|2,0,0]=4 77 B17R1.16980 CCOc1cc(CNCC(C)O)ccc1OC Amb9245721 [0,1,1,0,0,0|1,0,0]=3 78 B17R1.16981 CCOc1cc(CNC(C)CC)ccc1OC Amb6719656 [0,1,1,0,0,0|2,0,0]=4 79 B17R2.5852 CCOc1cccc([C@@H]2CC[C@H](CN)O2)c1 Amb32950769 [1,1,0,0,0,0|1,0,0]=3 80 B17R2.301400 CCOc1cccc(C2CNC(C)(C)O2)c1 Amb18068534 [1,1,0,0,0,0|2,0,0]=4 81 B17R2.301400 CCOc1cccc(C2NC(C)(C)CO2)c1 Amb17342033 [1,1,0,0,0,0|1,0,0]=3 82 B17R2.301400 CCOc1cccc(C2NCC(C)(C)O2)c1 Amb18068532 [1,1,0,0,0,0|1,0,0]=3 83 B17R2.2373 CCOc1cc(C2CCCN2)cc(Br)c1O Amb33242995 [1,1,0,0,0,0|2,0,0]=4 84 B17R2.5752 CCOc1cc(C2CCCN2)ccc1OC Amb33474567 [1,1,0,0,0,0|2,0,0]=4 85 B17R2.299425 CCOc1cc(C2(N)CCCC2)ccc1O Amb33376443 [1,1,0,0,0,0|2,0,0]=4 86 B17R2.1934 COc1cc(C2CC(C)CN2)c(C)cc1O Amb3789493 [1,1,0,0,0,0|2,0,0]=4 87 B17R2.2408 COc1ccc(C2CC(C)CN2)cc1OC Amb3789508 [1,1,0,0,0,0|2,0,0]=4 88 B17R2.95497 COc1cc(C2NC(C)(C)CO2)ccc1O Amb17342703 [1,1,0,0,0,0|1,0,0]=3 89 B17R2.982577 CCOc1cc(C2(N)CC(O)C2)ccc1O Amb33375605 [0,1,0,0,1,0|2,0,0]=4 90 B19R2.115195 CCOc1cc(B2OCC(C)(C)CO2)ccc1C Amb29859456 [0,1,0,0,0,1|2,0,0]=4 91 B17R2.3604 CCOC(CN)c1ccc2c(c1)OCCO2 Amb17606007 [0,0,1,1,0,0|2,0,0]=4 92 B17R2.3604 CNCC(OC)c1ccc2c(c1)OCCO2 Amb17605877 [0,0,1,1,0,0|2,0,0]=4 93 B17R2.3604 COC(CCN)c1ccc2c(c1)OCCO2 Amb17342742 [0,0,1,1,0,0|2,0,0]=4 94 B17R2.5748 CCOc1cc(C2CCCCN2)ccc1O Amb33473858 [0,0,1,1,0,0|2,0,0]=4 95 B17R2.5748 CCOc1cc(C2CNCCO2)ccc1O Amb33376077 [0,0,1,1,0,0|2,0,0]=4 96 B17R2.2104 CC(OCCN)c1ccc2c(c1)OCCO2 Amb18069390 [0,0,1,1,0,0|2,0,0]=4 97 B17R2.2104 CCCCC(N)c1ccc2c(c1)OCCO2 Amb6673563 [0,0,1,1,0,0|2,0,0]=4 98 B17R2.2104 CCCCC(O)c1ccc2c(c1)OCCO2 Amb17195494 [0,0,1,1,0,0|1,0,0]=3 99 B17R2.2104 CCNCC(O)c1ccc2c(c1)OCCO2 Amb17141732 [0,0,1,1,0,0|2,0,0]=4 100 B17R2.2104 CNCCC(O)c1ccc2c(c1)OCCO2 Amb17342716 [0,0,1,1,0,0|2,0,0]=4 101 B17R2.2104 NCCCC(O)c1ccc2c(c1)OCCO2 Amb17079170 [0,0,1,1,0,0|2,0,0]=4 102 B17R2.2104 OC(CCCCl)c1ccc2c(c1)OCCO2 Amb17196227 [0,0,1,1,0,0|2,0,0]=4 103 B17R2.2104 OCCCC(O)c1ccc2c(c1)OCCO2 Amb17342999 [0,0,1,1,0,0|2,0,0]=4 104 B17R2.5669 CC(C)CNCc1ccc2c(c1)OCCO2 Amb6719700 [0,0,1,1,0,0|2,0,0]=4 105 B17R2.5669 CC(N)CCCc1ccc2c(c1)OCCO2 Amb17244849 [0,0,1,1,0,0|2,0,0]=4 106 B17R2.5669 CC(O)CNCc1ccc2c(c1)CCCO2 Amb18867119 [0,0,1,1,0,0|2,0,0]=4 107 B17R2.5669 CC(O)CNCc1ccc2c(c1)OCCO2 Amb9245695 [0,0,1,1,0,0|1,0,0]=3 108 B17R2.18967 CC(C)CC(N)c1ccc2c(c1)OCCO2 Amb6673538 [0,0,1,1,0,0|2,0,0]=4 109 B17R2.18967 CC(C)CC(O)c1ccc2c(c1)OCCO2 Amb17141579 [0,0,1,1,0,0|1,0,0]=3 110 B17R2.18967 CC(C)OC(=O)c1ccc2c(c1)OCCO2 Amb18942826 [0,0,1,1,0,0|0,0,2]=4 111 B17R2.18967 CN(C)CC(O)c1ccc2c(c1)OCCO2 Amb17104301 [0,0,1,1,0,0|2,0,0]=4 112 B17R2.299393 CCOc1cc(C2(N)CC2(C)C)ccc1O Amb33376081 [0,0,1,1,0,0|2,0,0]=4 113 B17R2.556 CC(CN)CCc1ccc2c(c1)OCCO2 Amb5740224 [0,0,1,1,0,0|2,0,0]=4 114 B17R2.556 CC(CO)NCc1ccc2c(c1)CCCO2 Amb18226987 [0,0,1,1,0,0|2,0,0]=4 115 B17R2.556 CCC(C)NCc1ccc2c(c1)OCCO2 Amb6719660 [0,0,1,1,0,0|2,0,0]=4 116 B17R2.556 NC(CO)CCc1ccc2c(c1)OCCO2 Amb18069367 [0,0,1,1,0,0|2,0,0]=4 117 B17R3.2399 CC1CNC(c2ccc3c(c2)OCC3)C1 Amb18785343 [1,0,0,1,0,0|2,0,0]=4 118 B17R3.2399 CC1COC(c2ccc3c(c2)OCO3)O1 Amb22411560 [1,0,0,1,0,0|1,0,0]=3 119 B17R3.97 Cc1cc2cc(C3OCCO3)ccc2o1 Amb28281725 [1,0,0,1,0,0|1,0,1]=4 120 B17R3.1917 c1cc2c(cc1C3CCCN3)OCCO2 Amb2235026 [1,0,0,1,0,0|2,0,0]=4 121 B17R3.1917 c1cc2c(cc1C3CCCO3)OCCO2 Amb17338490 [1,0,0,1,0,0|1,0,0]=3 122 B17R3.1917 c1cc2c(cc1C3CNCO3)OCCO2 Amb18567861 [1,0,0,1,0,0|2,0,0]=4 123 B17R3.1917 c1cc2c(cc1C3NCCO3)OCCO2 Amb17338699 [1,0,0,1,0,0|1,0,0]=3 124 B17R3.1917 c1cc2c(cc1C3OCCO3)OCCO2 Amb17338977 [1,0,0,1,0,0|0,0,0]=2 125 B19R3.81311 CC1(C)CNC(c2ccc3c(c2)OCCO3)C1 Amb31107010 [0,1,0,1,0,0|2,0,0]=4 126 B19R3.81311 CC1(C)CNC(c2ccc3c(c2)OCCO3)O1 Amb18575151 [0,1,0,1,0,0|1,0,0]=3 127 B19R3.81311 CC1(C)COC(c2ccc3c(c2)OCCO3)N1 Amb17346325 [0,1,0,1,0,0|1,0,0]=3 128 B19R3.81311 CC1(C)NCC(c2ccc3c(c2)OCCO3)O1 Amb18070973 [0,1,0,1,0,0|2,0,0]=4 129 B15R1.530 CCOc1cc(C(O)C(F)F)ccc1O Amb33007619 [0,0,1,0,1,0|2,0,0]=4 130 B15R1.9222 CCOc1cc(CC(N)CC)ccc1O Amb9428908 [0,0,1,0,1,0|2,0,0]=4 131 B15R1.9222 CCOc1cc(CC(N)CO)ccc1O Amb33376404 [0,0,1,0,1,0|1,0,0]=3 132 B15R1.9222 CCOc1cc(CC(O)CN)ccc1O Amb33376087 [0,0,1,0,1,0|2,0,0]=4 133 B15R2.1276 CCOc1cccc(C2CCC2N)c1 Amb27418145 [1,0,0,0,1,0|2,0,0]=4 134 B15R2.70881 CCOc1cc(C2CCN2)ccc1O Amb25799509 [1,0,0,0,1,0|1,0,0]=3 135 B15R2.70881 CCOc1cc(C2CNC2)ccc1O Amb28399399 [1,0,0,0,1,0|2,0,0]=4 136 B15R2.70881 CCOc1cc([C@@H]2CCN2)ccc1O Amb27786346 [1,0,0,0,1,0|1,0,0]=3 137 B15R2.16528 CCOc1cc(C2CC2N)ccc1O Amb17568141 [0,0,0,0,2,0|1,0,0]=3 138 B15R2.16528 CCOc1cc([C@@H]2C[C@H]2N)ccc1F Amb30869749 [0,0,0,0,2,0|2,0,0]=4 139 B15R2.16528 CCOc1cc([C@@H]2C[C@H]2N)ccc1O Amb33376412 [0,0,0,0,2,0|1,0,0]=3 140 B15R2.16528 CCOc1cc([C@H]2C[C@@H]2N)ccc1F Amb33805976 [0,0,0,0,2,0|2,0,0]=4 141 B17R2.5755 CCOc1cc(CC2CCCN2)ccc1O Amb33376425 [1,0,0,0,0,1|2,0,0]=4 142 B17R2.2491 COc1cc(C2OCCC(C)O2)ccc1O Amb24065701 [1,0,0,0,0,1|0,0,0]=2