0 B17R2.5753 CC1COC(O1)c2ccc(O)c(c2)OCC Amb22168453 [0,0,0,0,0,0|0,0,0]=0 1 B16R2.2324 CC1COC(O1)c2ccc(O)c(c2)OC Amb22234885 [1,0,0,0,0,0|0,0,0]=1 2 B16R2.2324 C[C@@H]1CN[C@@H](C1)c2cc(OC)c(F)cc2 Amb18775506 [1,0,0,0,0,0|3,0,0]=4 3 B16R1.1502 CCCOC(=O)c1ccc(c(c1)OCC)N Amb17208796 [0,0,1,0,0,0|1,0,2]=4 4 B16R1.12733 CCOc1cc(CNCC(C)C)ccc1O Amb19890788 [0,0,1,0,0,0|2,0,0]=3 5 B16R1.12748 CCOc1cc(ccc1N)C(=O)OC(C)C Amb17208863 [0,0,1,0,0,0|1,0,2]=4 6 B16R1.12750 CC(CC)NCc1cc(OCC)c(O)cc1 Amb20673651 [0,0,1,0,0,0|2,0,0]=3 7 B18R3.2942 C[C@@H]1C[C@@H](NC1)c2ccc3OCCOc3c2 Amb18767680 [0,0,0,1,0,0|2,0,0]=3 8 B18R3.2942 O=C1CCC(O1)c2ccc3c(c2)OCCO3 Amb17341584 [0,0,0,1,0,0|2,0,1]=4 9 B15R1.9230 CCOC(=O)c1ccc(c(c1)OCC)O Amb17509269 [1,0,1,0,0,0|0,0,2]=4 10 B15R1.1193 CCOc1cc(CNCCC)ccc1O Amb19892198 [1,0,1,0,0,0|1,0,0]=3 11 B15R1.568 CCOc1cccc(c1)CNCC(C)C Amb17140195 [1,0,1,0,0,0|2,0,0]=4 12 B15R1.568 CCOc1cccc(c1)CNCC(O)C Amb17140425 [1,0,1,0,0,0|1,0,0]=3 13 B15R1.568 CCOc1cccc(c1)OCCC(O)C Amb17140515 [1,0,1,0,0,0|2,0,0]=4 14 B15R1.4030 COc1cc(CNCC(C)C)ccc1O Amb19890492 [1,0,1,0,0,0|2,0,0]=4 15 B15R1.531 CCOc1cc(CNC(C)C)ccc1O Amb20673463 [1,0,1,0,0,0|1,0,0]=3 16 B15R1.531 CCOc1cc(COC(C)C)ccc1O Amb24096850 [1,0,1,0,0,0|0,0,0]=2 17 B15R1.566 CC(C)NC(C)c1cccc(c1)OCC Amb23315247 [1,0,1,0,0,0|2,0,0]=4 18 B15R1.4037 COc1cc(ccc1O)C(=O)OC(C)C Amb18276773 [1,0,1,0,0,0|0,0,2]=4 19 B15R1.569 CCOc1cccc(c1)CNC(CC)C Amb17140196 [1,0,1,0,0,0|2,0,0]=4 20 B15R1.569 CCOc1cccc(c1)OCC(CO)C Amb17240620 [1,0,1,0,0,0|2,0,0]=4 21 B15R1.4039 CCC(C)NCc1cc(OC)c(O)cc1 Amb19890682 [1,0,1,0,0,0|2,0,0]=4 22 B15R2.18 CC1CNC(S1)c2cc(ccc2)OC Amb25732295 [2,0,0,0,0,0|1,1,0]=4 23 B15R2.18 CC1CSC(N1)c2cc(ccc2)OC Amb25253400 [2,0,0,0,0,0|1,1,0]=4 24 B15R2.18 COc1cc(ccc1)[C@H]2CCC(O)O2 Amb24576981 [2,0,0,0,0,0|2,0,0]=4 25 B15R2.18 C[C@@H]1CN[C@@H](C1)c2cc(ccc2)OC Amb18818125 [2,0,0,0,0,0|2,0,0]=4 26 B15R2.68 CCNc1cccc([n]1)C2OCCO2 Amb25673241 [2,0,0,0,0,0|2,0,0]=4 27 B15R2.68 CCOc1cc(ccc1)C2CCCN2 Amb24089802 [2,0,0,0,0,0|2,0,0]=4 28 B15R2.68 CCOc1cc(ccc1)C2CNCO2 Amb18565234 [2,0,0,0,0,0|2,0,0]=4 29 B15R2.68 CCOc1cc(ccc1)C2NCCS2 Amb24335663 [2,0,0,0,0,0|1,1,0]=4 30 B15R2.68 CCOc1cccc(c1)C2NCCO2 Amb17336601 [2,0,0,0,0,0|1,0,0]=3 31 B15R2.68 CCOc1cccc(c1)C2OCCO2 Amb17336805 [2,0,0,0,0,0|0,0,0]=2 32 B15R2.68 CNCc1cccc(c1)C2OCCO2 Amb24690908 [2,0,0,0,0,0|2,0,0]=4 33 B15R2.2234 COc1cc(c[n]c1Br)C2OCCO2 Amb25696555 [2,0,0,0,0,0|2,0,0]=4 34 B15R2.2234 COc1cc(ccc1F)C2OCCO2 Amb25111602 [2,0,0,0,0,0|1,0,0]=3 35 B15R2.2234 COc1cc(ccc1O)C2=NCCO2 Amb18651401 [2,0,0,0,0,0|1,0,1]=4 36 B15R2.2234 COc1cc(ccc1O)C2NCCO2 Amb17336923 [2,0,0,0,0,0|1,0,0]=3 37 B15R2.2234 COc1cc(ccc1O)C2NCCS2 Amb24090008 [2,0,0,0,0,0|1,1,0]=4 38 B15R2.2234 COc1cc(ccc1O)C2OCCO2 Amb17337063 [2,0,0,0,0,0|0,0,0]=2 39 B15R2.299 CC1CNC(S1)c2ccc(O)c(O)c2 Amb24437320 [2,0,0,0,0,0|1,1,0]=4 40 B15R2.299 CC1CSC(N1)c2ccc(O)c(O)c2 Amb25055083 [2,0,0,0,0,0|1,1,0]=4 41 B15R2.299 C[C@@H]1C[C@@H](NC1)c2cc(O)c(O)cc2 Amb18816107 [2,0,0,0,0,0|2,0,0]=4 42 B17R2.301400 CCOc1cccc(c1)C2CNC(C)(C)O2 Amb18068534 [1,1,0,0,0,0|2,0,0]=4 43 B17R2.301400 CCOc1cccc(c1)C2NCC(C)(C)O2 Amb18068532 [1,1,0,0,0,0|1,0,0]=3 44 B17R2.301400 CCOc1cccc(c1)C2OCC(N2)(C)C Amb17342033 [1,1,0,0,0,0|1,0,0]=3 45 B17R2.95497 COc1cc(ccc1O)C2OCC(N2)(C)C Amb17342703 [1,1,0,0,0,0|1,0,0]=3 46 B17R2.3604 CCOC(c1ccc2c(c1)OCCO2)CN Amb17606007 [0,0,1,1,0,0|2,0,0]=4 47 B17R2.3604 CNCC(c1ccc2c(c1)OCCO2)OC Amb17605877 [0,0,1,1,0,0|2,0,0]=4 48 B17R2.3604 NCCC(c1ccc2c(c1)OCCO2)OC Amb17342742 [0,0,1,1,0,0|2,0,0]=4 49 B17R2.2104 CC(OCCN)c1cc2OCCOc2cc1 Amb18069390 [0,0,1,1,0,0|2,0,0]=4 50 B17R2.2104 CCCCC(c1ccc2c(c1)OCCO2)O Amb17195494 [0,0,1,1,0,0|1,0,0]=3 51 B17R2.2104 CCNCC(c1ccc2c(c1)OCCO2)O Amb17141732 [0,0,1,1,0,0|2,0,0]=4 52 B17R2.2104 CNCCC(c1ccc2c(c1)OCCO2)O Amb17342716 [0,0,1,1,0,0|2,0,0]=4 53 B17R2.2104 ClCCCC(c1ccc2c(c1)OCCO2)O Amb17196227 [0,0,1,1,0,0|2,0,0]=4 54 B17R2.2104 NCCCC(c1ccc2c(c1)OCCO2)O Amb17079170 [0,0,1,1,0,0|2,0,0]=4 55 B17R2.2104 OCCCC(c1ccc2c(c1)OCCO2)O Amb17342999 [0,0,1,1,0,0|2,0,0]=4 56 B17R2.5669 CC(CCCc1ccc2c(c1)OCCO2)N Amb17244849 [0,0,1,1,0,0|2,0,0]=4 57 B17R2.5669 CC(O)CNCc1cc2CCCOc2cc1 Amb18867119 [0,0,1,1,0,0|2,0,0]=4 58 B17R2.18967 CC(C)OC(=O)c1cc2OCCOc2cc1 Amb18942826 [0,0,1,1,0,0|0,0,2]=4 59 B17R2.18967 CC(CC(c1ccc2c(c1)OCCO2)O)C Amb17141579 [0,0,1,1,0,0|1,0,0]=3 60 B17R2.18967 CN(CC(c1ccc2c(c1)OCCO2)O)C Amb17104301 [0,0,1,1,0,0|2,0,0]=4 61 B17R2.556 CC(CO)NCc1cc2CCCOc2cc1 Amb18226987 [0,0,1,1,0,0|2,0,0]=4 62 B17R2.556 C[C@@H](CN)NCc1ccc2OCCOc2c1 Amb24781851 [0,0,1,1,0,0|2,0,0]=4 63 B17R2.556 C[C@H](CN)NCc1ccc2OCCOc2c1 Amb24781842 [0,0,1,1,0,0|2,0,0]=4 64 B17R2.556 NC(CO)CCc1ccc2OCCOc2c1 Amb18069367 [0,0,1,1,0,0|2,0,0]=4 65 B17R3.2399 CC1CC(NC1)c2ccc3CCOc3c2 Amb18785343 [1,0,0,1,0,0|2,0,0]=4 66 B17R3.2399 CC1COC(O1)c2ccc3OCOc3c2 Amb22411560 [1,0,0,1,0,0|1,0,0]=3 67 B17R3.1917 C1CNC(C1)c2ccc3c(c2)OCCO3 Amb2235026 [1,0,0,1,0,0|2,0,0]=4 68 B17R3.1917 C1COC(C1)c2ccc3c(c2)OCCO3 Amb17338490 [1,0,0,1,0,0|1,0,0]=3 69 B17R3.1917 C1COC(N1)c2ccc3c(c2)OCCO3 Amb17338699 [1,0,0,1,0,0|1,0,0]=3 70 B17R3.1917 C1COC(O1)c2ccc3c(c2)OCCO3 Amb17338977 [1,0,0,1,0,0|0,0,0]=2 71 B17R3.1917 C1NCC(O1)c2cc3OCCOc3cc2 Amb18567861 [1,0,0,1,0,0|2,0,0]=4 72 B19R3.81311 CC1(C)CNC(O1)c2cc3OCCOc3cc2 Amb18575151 [0,1,0,1,0,0|1,0,0]=3 73 B19R3.81311 CC1(C)COC(N1)c2ccc3c(c2)OCCO3 Amb17346325 [0,1,0,1,0,0|1,0,0]=3 74 B19R3.81311 CC1(C)NCC(O1)c2cc3OCCOc3cc2 Amb18070973 [0,1,0,1,0,0|2,0,0]=4 75 B15R2.1278 CCOc1cccc(c1)C2CC(N)C2 Amb24446108 [1,0,0,0,1,0|2,0,0]=4 76 B15R2.1278 CCOc1cccc(c1)C2CC(O)C2 Amb25726590 [1,0,0,0,1,0|2,0,0]=4 77 B15R2.70881 CCOc1cc(ccc1O)C2CCN2 Amb25799509 [1,0,0,0,1,0|1,0,0]=3 78 B15R2.70881 CCOc1cc(ccc1O)[C@H]2CCN2 Amb24671236 [1,0,0,0,1,0|1,0,0]=3 79 B15R2.16528 CCOc1cc(ccc1O)C2CC2N Amb17568141 [0,0,0,0,2,0|1,0,0]=3 80 B17R2.2491 CC1CCOC(O1)c2ccc(O)c(c2)OC Amb24065701 [1,0,0,0,0,1|0,0,0]=2