0 B16R2.42567 COc1ccc2occ(CC(=O)O)c2c1 Amb2514993 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.9410 CC(=O)Cc1csc2ccc(C)cc12 Amb27193515 [1,0,0,0,0,0|3,0,0]=4 2 B15R2.9410 CC(C)Cc1csc2ccc(Cl)cc12 Amb27804256 [1,0,0,0,0,0|3,0,0]=4 3 B15R2.9410 CN(C)Cc1cnc2ccc(Br)cn12 Amb21929151 [1,0,0,0,0,0|2,0,1]=4 4 B15R2.9410 CN(C)Cc1cnc2ccc(Cl)cn12 Amb2439172 [1,0,0,0,0,0|2,0,1]=4 5 B15R2.9410 CN(C)Cc1cnc2ccc(F)cn12 Amb22035340 [1,0,0,0,0,0|2,0,1]=4 6 B15R2.9410 CN(C)Cc1cnc2ccc(N)cn12 Amb17210121 [1,0,0,0,0,0|2,0,1]=4 7 B15R2.9410 CN(C)Cc1nsc2ccc(Br)cc12 Amb25280150 [1,0,0,0,0,0|3,0,0]=4 8 B15R2.9410 Cc1ccc2ncc(CN(C)C)n2c1 Amb6384206 [1,0,0,0,0,0|1,0,1]=3 9 B15R2.54412 CCCC1CNc2ccc(OC)cc21 Amb26924461 [1,0,0,0,0,0|1,0,2]=4 10 B15R2.54412 CCc1ccc2occ(CNC)c2c1 Amb25716187 [1,0,0,0,0,0|2,0,0]=3 11 B15R2.54412 CNCC1CCc2ccc(OC)cc21 Amb17470795 [1,0,0,0,0,0|1,0,2]=4 12 B15R2.54412 CNCC1COc2ccc(OC)cc21 Amb25033619 [1,0,0,0,0,0|1,0,2]=4 13 B15R2.54412 CNCc1cnc2ccc(OC)cn12 Amb28282652 [1,0,0,0,0,0|1,0,1]=3 14 B15R2.54412 COCn1cnc2ccc(OC)cc21 Amb26884872 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.54412 COc1ccc2c(c1)C(CCN)=CC2 Amb27238618 [1,0,0,0,0,0|3,0,0]=4 16 B15R2.54412 COc1ccc2c(c1)C(CCN)=CC2 Amb33189127 [1,0,0,0,0,0|3,0,0]=4 17 B15R2.54412 COc1ccc2occ(CCO)c2c1 Amb23580645 [1,0,0,0,0,0|3,0,0]=4 18 B15R2.54412 COc1ccc2scc(CCN)c2c1 Amb24076695 [1,0,0,0,0,0|3,0,0]=4 19 B17R2.429181 CCc1ccc2c(c1)c(CC(C)=O)cn2C Amb18896418 [0,1,0,0,0,0|3,0,0]=4 20 B17R2.429181 CCc1ccc2c(c1)c(CC(C)N)cn2C Amb18064356 [0,1,0,0,0,0|3,0,0]=4 21 B17R2.429181 COc1ccc2c(c1)c(CC(=O)O)cn2C Amb18064286 [0,1,0,0,0,0|3,0,0]=4 22 B17R2.429181 COc1ccc2c(c1)c(CC(C)=O)cn2C Amb18244596 [0,1,0,0,0,0|2,0,0]=3 23 B17R2.429181 COc1ccc2c(c1)c(CC(C)N)cn2C Amb7089100 [0,1,0,0,0,0|2,0,0]=3 24 B17R2.429181 COc1ccc2c(c1)c(CC(N)=O)cn2C Amb18244890 [0,1,0,0,0,0|3,0,0]=4 25 B15R1.4 COc1ccc(CNCCN(C)C)cc1 Amb6355705 [0,0,1,0,0,0|2,0,1]=4 26 B15R1.62 COc1cccc(C(C#N)CN(C)C)c1 Amb17238153 [0,0,1,0,0,0|0,0,3]=4 27 B15R1.62 COc1cccc(\C(C#N)=C\N(C)C)c1 Amb17337800 [0,0,1,0,0,0|0,0,3]=4 28 B15R1.62 COc1cccc(\C(C=O)=C\N(C)C)c1 Amb17338297 [0,0,1,0,0,0|1,0,1]=3 29 B15R1.1863 COc1ccc(Br)c(C(=O)NN(C)C)c1 Amb28076312 [0,0,1,0,0,0|3,0,0]=4 30 B15R1.1863 COc1ccc(N)c(C(=O)OC(C)C)c1 Amb19012716 [0,0,1,0,0,0|3,0,0]=4 31 B15R1.1863 COc1ccc(N)c(C(=O)OC(C)C)c1 Amb33071702 [0,0,1,0,0,0|3,0,0]=4 32 B15R2.3137 CCc1ccc2c(c1)C(N(C)C)CN2 Amb25225941 [0,0,0,0,1,0|1,0,2]=4 33 B15R2.3137 COc1ccc2c(c1)C(C(C)C)CN2 Amb18561145 [0,0,0,0,1,0|1,0,2]=4 34 B15R2.3137 COc1ccc2c(c1)C(N(C)C)CN2 Amb25935589 [0,0,0,0,1,0|0,0,2]=3 35 B15R2.3137 COc1ccc2occ(C(C)=O)c2c1 Amb1399026 [0,0,0,0,1,0|3,0,0]=4 36 B15R2.3137 COc1ccc2occ(C(C)O)c2c1 Amb27772820 [0,0,0,0,1,0|3,0,0]=4 37 B15R2.3137 COc1ccc2scc(C(C)=O)c2c1 Amb24664788 [0,0,0,0,1,0|3,0,0]=4 38 B17R2.11712 CCc1ccc2c(c1)CC(CN(C)C)CN2 Amb31188780 [0,0,0,0,0,1|1,0,2]=4 39 B17R2.11712 COc1ccc2c(c1)CC(CN(C)C)CN2 Amb31189165 [0,0,0,0,0,1|0,0,2]=3 40 B17R2.11712 COc1ccc2ccc(CC(C)=O)nc2c1 Amb17579669 [0,0,0,0,0,1|3,0,0]=4 41 B17R2.12011 CCc1ccc2c(c1)C(CN(C)C)CCN2 Amb31188781 [0,0,0,0,0,1|1,0,2]=4 42 B17R2.12011 COc1ccc2c(c1)C(CC(C)C)CNC2 Amb17405349 [0,0,0,0,0,1|1,0,2]=4 43 B17R2.12011 COc1ccc2c(c1)C(CN(C)C)CCN2 Amb31189166 [0,0,0,0,0,1|0,0,2]=3 44 B14R1.74 COc1cccc(C(=O)CC(C)C)c1 Amb17198747 [1,0,1,0,0,0|2,0,0]=4 45 B14R1.74 COc1cccc(C(=O)CN(C)C)c1 Amb9217335 [1,0,1,0,0,0|1,0,0]=3 46 B14R1.74 COc1cccc(C(Cl)CN(C)C)c1 Amb17547758 [1,0,1,0,0,0|1,0,1]=4 47 B14R1.74 COc1cccc(C(N)CC(C)C)c1 Amb17235772 [1,0,1,0,0,0|1,0,1]=4 48 B14R1.74 COc1cccc(C(N)CN(C)C)c1 Amb1129768 [1,0,1,0,0,0|0,0,1]=3 49 B14R1.74 COc1cccc(C(O)CN(C)C)c1 Amb17104289 [1,0,1,0,0,0|1,0,1]=4 50 B14R1.1020 Cc1cccc(\C(C=O)=C\N(C)C)c1 Amb17336120 [1,0,1,0,0,0|1,0,1]=4 51 B14R1.601 CNCC(=O)c1cc(OC)ccc1Br Amb33006566 [1,0,1,0,0,0|2,0,0]=4 52 B14R1.601 CNCC(=O)c1cc(OC)ccc1O Amb32877632 [1,0,1,0,0,0|2,0,0]=4 53 B14R1.2335 COc1ccc(N)c(NCC(C)C)c1 Amb28190689 [1,0,1,0,0,0|2,0,0]=4 54 B14R1.6052 Cc1ccc(C)c(C(=O)CN(C)C)c1 Amb9217344 [1,0,1,0,0,0|2,0,0]=4 55 B14R1.6052 Cc1ccc(N)c(C(=O)CC(C)C)c1 Amb27760049 [1,0,1,0,0,0|2,0,0]=4 56 B14R1.6052 Cc1ccc(O)c(C(=O)CN(C)C)c1 Amb28283175 [1,0,1,0,0,0|2,0,0]=4 57 B14R1.6052 Cc1cnc(N)c(C(=O)CN(C)C)c1 Amb27952215 [1,0,1,0,0,0|2,0,0]=4 58 B14R2.2 CN(C)Cc1cnc2ccccn12 Amb32718816 [2,0,0,0,0,0|1,0,1]=4 59 B14R2.2 CN(C)Cc1cnc2ccccn12 Amb8397240 [2,0,0,0,0,0|1,0,1]=4 60 B14R2.2 CN(C)Cc1coc2ccccc12 Amb27631487 [2,0,0,0,0,0|1,0,0]=3 61 B14R2.2 CN(C)Cc1csc2ccccc12 Amb4056962 [2,0,0,0,0,0|1,0,0]=3 62 B14R2.2 CN(C)Cn1ccc2ccccc21 Amb10558642 [2,0,0,0,0,0|2,0,0]=4 63 B14R2.2 CN(C)Cn1cnc2ccccc21 Amb10566664 [2,0,0,0,0,0|1,0,1]=4 64 B14R2.2 CN(O)Cc1csc2ccccc12 Amb33313045 [2,0,0,0,0,0|2,0,0]=4 65 B14R2.6419 CNCc1cnn2ccc(C)cc12 Amb23449178 [2,0,0,0,0,0|1,0,1]=4 66 B14R2.6419 CNCc1coc2ccc(Br)cc12 Amb27480629 [2,0,0,0,0,0|2,0,0]=4 67 B14R2.2497 CCC1CNc2ccc(OC)cc21 Amb18561136 [2,0,0,0,0,0|0,0,2]=4 68 B14R2.2497 CCc1ccc2c(c1)C(CN)=CC2 Amb18561069 [2,0,0,0,0,0|2,0,0]=4 69 B14R2.2497 CCc1ccc2occ(CN)c2c1 Amb25806938 [2,0,0,0,0,0|2,0,0]=4 70 B14R2.2497 CCc1ccc2scc(CC)c2c1 Amb27443140 [2,0,0,0,0,0|2,0,0]=4 71 B14R2.2497 CCn1ccc2ccc(OC)cc21 Amb27634174 [2,0,0,0,0,0|2,0,0]=4 72 B14R2.2497 CNc1noc2ccc(OC)cc12 Amb23442978 [2,0,0,0,0,0|2,0,0]=4 73 B14R2.2497 COc1ccc2c(c1)C(CN)=CC2 Amb18063344 [2,0,0,0,0,0|1,0,0]=3 74 B14R2.2497 COc1ccc2c(c1)C(CN)C=C2 Amb17470520 [2,0,0,0,0,0|1,0,1]=4 75 B14R2.2497 COc1ccc2c(c1)C(CN)CN2 Amb18063045 [2,0,0,0,0,0|0,0,2]=4 76 B14R2.2497 COc1ccc2occ(CCl)c2c1 Amb27663882 [2,0,0,0,0,0|2,0,0]=4 77 B14R2.2497 COc1ccc2occ(CN)c2c1 Amb28140332 [2,0,0,0,0,0|1,0,0]=3 78 B14R2.2497 COc1ccc2occ(CO)c2c1 Amb28243305 [2,0,0,0,0,0|2,0,0]=4 79 B14R2.2497 COc1ccc2onc(CN)c2c1 Amb27406868 [2,0,0,0,0,0|2,0,0]=4 80 B14R2.2497 COc1ccc2scc(CCl)c2c1 Amb27947572 [2,0,0,0,0,0|2,0,0]=4 81 B16R2.97889 CC(=O)Cc1cn(C)c2ccc(C)cc12 Amb18894714 [1,1,0,0,0,0|2,0,0]=4 82 B16R2.97889 Cc1ccc2c(c1)c(CC(C)N)cn2C Amb824528 [1,1,0,0,0,0|2,0,0]=4 83 B16R2.107631 CNCc1coc2ccc(C(C)C)cc12 Amb31142604 [1,1,0,0,0,0|2,0,0]=4 84 B16R2.113583 CCc1ccc2c(c1)c(CNC)cn2C Amb18894864 [1,1,0,0,0,0|1,0,0]=3 85 B16R2.113583 CNCc1cn(C)c2ccc(OC)cc12 Amb18895214 [1,1,0,0,0,0|0,0,0]=2 86 B16R2.113583 COc1ccc2c(c1)c(CC#N)cn2C Amb18894664 [1,1,0,0,0,0|2,0,0]=4 87 B16R2.113583 COc1ccc2c(c1)c(CCN)cn2C Amb9782572 [1,1,0,0,0,0|2,0,0]=4 88 B16R2.113583 COc1ccc2c(c1)c(CCO)cn2C Amb18562268 [1,1,0,0,0,0|2,0,0]=4 89 B16R2.115382 CCCC1C(=O)Nc2ccc(OC)cc21 Amb17238446 [1,1,0,0,0,0|1,0,1]=4 90 B16R2.115382 CCc1ccc2c(c1)C(CNC)C(=O)N2 Amb31142672 [1,1,0,0,0,0|1,0,1]=4 91 B16R2.115382 CNCC1C(=O)Nc2ccc(OC)cc21 Amb31142978 [1,1,0,0,0,0|0,0,1]=3 92 B16R2.7527 COc1ccc2c(c1)C(C(C)C)C(=O)N2 Amb17238445 [0,1,0,0,1,0|1,0,1]=4 93 B16R2.39438 COc1ccc2c(c1)c(C(C)=O)cn2C Amb18562407 [0,1,0,0,1,0|2,0,0]=4 94 B16R2.39438 COc1ccc2c(c1)c(C(C)N)cn2C Amb18562499 [0,1,0,0,1,0|2,0,0]=4 95 B16R2.41246 COc1cc2c(cc1Cl)NCC2N(C)C Amb31124631 [0,1,0,0,1,0|0,0,2]=4 96 B16R2.75547 COc1cc(C)c2c(c1)C(N(C)C)CN2 Amb31143045 [0,1,0,0,1,0|0,0,2]=4 97 B18R2.17864 COc1ccc2ccc(CC(C)CN)nc2c1 Amb17580928 [0,1,0,0,0,1|2,0,0]=4 98 B18R2.119663 COc1cc(C)c2c(c1)CC(CN(C)C)CN2 Amb31125691 [0,1,0,0,0,1|0,0,2]=4 99 B18R2.119936 COc1cc(C)c2c(c1)C(CN(C)C)CCN2 Amb31125692 [0,1,0,0,0,1|0,0,2]=4 100 B18R2.820545 COc1ccc2c(c1)c(CCC(C)=O)cn2C Amb18897834 [0,1,0,0,0,1|2,0,0]=4 101 B18R2.820545 COc1ccc2c(c1)c(CCC(C)N)cn2C Amb18898333 [0,1,0,0,0,1|2,0,0]=4 102 B18R2.173885 COc1ccc2c(c1)C(CC(C)(C)N)C(=O)N2 Amb31125526 [0,2,0,0,0,0|1,0,1]=4 103 B18R2.820003 COc1ccc2c(c1)c(CC(C)=O)c(C)n2C Amb18897836 [0,2,0,0,0,0|2,0,0]=4 104 B18R2.820003 COc1ccc2c(c1)c(CC(C)N)c(C)n2C Amb18898341 [0,2,0,0,0,0|2,0,0]=4 105 B18R2.372469 CCOc1ccc2c(c1)c(CC(C)=O)cn2C Amb18897838 [0,2,0,0,0,0|2,0,0]=4 106 B18R2.372469 CCOc1ccc2c(c1)c(CC(C)N)cn2C Amb18064360 [0,2,0,0,0,0|2,0,0]=4 107 B18R2.690454 COC(=O)c1ccc2ncc(CN(C)C)n2c1 Amb2441840 [0,2,0,0,0,0|1,0,1]=4 108 B18R2.255066 COc1cc2c(CC(C)=O)cn(C)c2cc1Cl Amb18902982 [0,2,0,0,0,0|2,0,0]=4 109 B18R2.255066 COc1cc2c(CC(C)N)cn(C)c2cc1Cl Amb18903126 [0,2,0,0,0,0|2,0,0]=4 110 B18R2.820550 CCc1ccc2c(c1)c(C(N)C(C)C)cn2C Amb18064524 [0,2,0,0,0,0|2,0,0]=4 111 B18R2.820550 COc1ccc2c(c1)c(C(=O)C(C)C)cn2C Amb18562428 [0,2,0,0,0,0|1,0,1]=4 112 B18R2.820550 COc1ccc2c(c1)c(C(N)C(C)C)cn2C Amb18562524 [0,2,0,0,0,0|1,0,0]=3 113 B18R2.1933681 COc1cc(C)c2c(c1)c(CC(C)=O)cn2C Amb18897866 [0,2,0,0,0,0|2,0,0]=4 114 B18R2.1933681 COc1cc(C)c2c(c1)c(CC(C)N)cn2C Amb18898391 [0,2,0,0,0,0|2,0,0]=4 115 B16R2.40 COc1ccc(Nc2cnn(C)c2)cc1 Amb18268727 [0,0,1,1,0,0|1,0,1]=4 116 B16R2.7639 COc1ccc2c(c1)C(N(C)C)CCN2 Amb18062291 [0,0,1,1,0,0|0,0,2]=4 117 B16R2.2418 COc1cccc(-c2nn(C)cc2N)c1 Amb24743073 [0,0,1,1,0,0|1,0,1]=4 118 B16R2.37647 COc1ccc2c(c1)C(CN)CN(C)C2 Amb17403298 [0,0,1,1,0,0|0,0,2]=4 119 B16R2.7476 COc1ccc2c(c1)CC(N(C)C)CN2 Amb31143082 [0,0,1,1,0,0|0,0,2]=4 120 B16R3.18423 CN1Cc2sc3ccc(N)cc3c2C1 Amb18783859 [1,0,0,1,0,0|2,0,0]=4 121 B16R3.49150 CCc1ccc2oc3c(c2c1)CNC3 Amb18821588 [1,0,0,1,0,0|2,0,0]=4 122 B14R1.4 COc1ccc(C#CCN(C)C)cc1 Amb27628449 [0,0,1,0,1,0|0,0,2]=4 123 B14R1.4 COc1ccc(NCCC(C)C)cc1 Amb6700993 [0,0,1,0,1,0|1,0,1]=4 124 B14R1.4 COc1ccc(NCCN(C)C)cc1 Amb6714182 [0,0,1,0,1,0|0,0,1]=3 125 B14R1.4 COc1ccc(N\N=C\N(C)C)cc1 Amb27252348 [0,0,1,0,1,0|1,0,0]=3 126 B14R1.4 COc1ccc(OCCN(C)C)cc1 Amb22233748 [0,0,1,0,1,0|1,0,1]=4 127 B14R1.80 COc1cccc(C(CN)N(C)C)c1 Amb433664 [0,0,1,0,1,0|0,0,2]=4 128 B14R1.3723 COc1ccc(C=O)c(CN(C)C)c1 Amb10075475 [0,0,1,0,1,0|2,0,0]=4 129 B14R1.3723 COc1ccc(C=O)c(CN(C)C)c1 Amb21961615 [0,0,1,0,1,0|2,0,0]=4 130 B14R2.5816 CC(C)=C1CNc2ccc(O)cc21 Amb27668895 [1,0,0,0,1,0|1,0,1]=4 131 B14R2.5816 Cc1ccc2c(c1)C(N(C)C)CN2 Amb24414130 [1,0,0,0,1,0|0,0,2]=4 132 B14R2.27038 COc1ccc2c(c1)C(CCN)=C2 Amb27796242 [1,0,0,0,1,0|2,0,0]=4 133 B16R1.2 COc1ccc(CNCCCN(C)C)cc1 Amb535522 [0,0,1,0,0,1|0,0,2]=4 134 B16R2.11975 CC(C)Cc1ccc2ccc(O)cc2c1 Amb32751471 [1,0,0,0,0,1|2,0,0]=4 135 B16R2.11975 Cc1ccc2c(c1)CC(CN(C)C)CN2 Amb31142794 [1,0,0,0,0,1|0,0,2]=4 136 B16R2.12129 Cc1ccc2c(c1)C(CN(C)C)CCN2 Amb31142795 [1,0,0,0,0,1|0,0,2]=4 137 B16R2.28226 CCc1ccc2ncc(CNC)cc2c1 Amb31112253 [1,0,0,0,0,1|1,0,1]=4 138 B16R2.28226 CNCC1CNc2ccc(OC)cc2C1 Amb31143080 [1,0,0,0,0,1|0,0,2]=4 139 B16R2.28226 CNCc1ccc2ccc(OC)cc2n1 Amb17578954 [1,0,0,0,0,1|1,0,0]=3 140 B16R2.28226 CNCc1cnc2ccc(OC)cc2c1 Amb17578958 [1,0,0,0,0,1|0,0,1]=3