0 B17R2.25462 CC(=O)NCCc1c[nH]c2[n]cc(Br)cc12 Amb24076129 [0,0,0,0,0,0|2,0,0]=2 1 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(F)cc2 Amb1812973 [0,0,0,0,0,0|1,0,0]=1 2 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(N)cc2 Amb17607868 [0,0,0,0,0,0|1,0,0]=1 3 B17R2.25462 CC(=O)N\N=C\c1c[nH]c2c1cc(Br)cc2 Amb2270066 [0,0,0,0,0,0|2,0,1]=3 4 B17R2.25462 CC(C)NCCc1c[nH]c2ccc(Cl)cc12 Amb18899697 [0,0,0,0,0,0|2,0,1]=3 5 B17R2.25462 CC(C)NCCc1c[nH]c2ccc(F)cc12 Amb18245496 [0,0,0,0,0,0|2,0,1]=3 6 B17R2.25462 Cc1cc2c(CCCC(=O)O)c[nH]c2cc1 Amb17063398 [0,0,0,0,0,0|3,0,0]=3 7 B17R2.25462 Cc1ccc2[nH]cc(CCNC(C)C)c2c1 Amb18244451 [0,0,0,0,0,0|2,0,1]=3 8 B17R2.25462 NC(=O)NCCc1c[nH]c2c1cc(F)cc2 Amb1914874 [0,0,0,0,0,0|2,0,0]=2 9 B17R2.25462 OC(=O)CCCc1c[nH]c2c1cc(Cl)cc2 Amb17063405 [0,0,0,0,0,0|3,0,0]=3 10 B16R2.36 CC(=O)NCCN1CCc2c1cccc2 Amb11249573 [1,0,0,0,0,0|2,0,1]=4 11 B16R2.36 CC(=O)NCCc1[n][n]c2cccc[n]12 Amb23484851 [1,0,0,0,0,0|2,0,1]=4 12 B16R2.36 CC(C)NCCc1c[nH]c2[n]cccc12 Amb23557785 [1,0,0,0,0,0|2,0,1]=4 13 B16R2.36 CC(C)NCCc1c[nH]c2ccccc12 Amb22587949 [1,0,0,0,0,0|1,0,1]=3 14 B16R2.36 NC(=N)NCCc1c[nH]c2ccccc12 Amb18566550 [1,0,0,0,0,0|2,0,0]=3 15 B16R2.36 NC(=O)CSCc1c[nH]c2c1cccc2 Amb1903972 [1,0,0,0,0,0|3,0,0]=4 16 B16R2.36 NC(=O)N\N=C\c1c[nH]c2c1cccc2 Amb1144923 [1,0,0,0,0,0|2,0,1]=4 17 B16R2.36 OC(=O)CCCc1[n][nH]c2ccccc12 Amb18784761 [1,0,0,0,0,0|3,0,0]=4 18 B16R2.36 OC(=O)CCCc1c[nH]c2cc[n]cc12 Amb18784740 [1,0,0,0,0,0|3,0,0]=4 19 B16R2.36 OC(=O)CCCc1c[nH]c2ccccc12 Amb22352078 [1,0,0,0,0,0|2,0,0]=3 20 B16R2.36 OC(=O)CSCc1c[nH]c2c1cccc2 Amb1901850 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.36 [O-]C(=O)CCCc1c[nH]c2ccccc12 Amb24097127 [1,0,0,0,0,0|2,0,0]=3 22 B16R2.36 [S-]C(=S)NCCc1c[nH]c2c1cccc2 Amb16757935 [1,0,0,0,0,0|1,1,0]=3 23 B16R2.205493 CCNCCc1c[nH]c2ccc(Br)cc12 Amb18906164 [1,0,0,0,0,0|1,0,1]=3 24 B16R2.205493 CCNCCc1c[nH]c2ccc(Cl)cc12 Amb18244959 [1,0,0,0,0,0|1,0,1]=3 25 B16R2.205493 CCNCCc1c[nH]c2ccc(F)cc12 Amb18895554 [1,0,0,0,0,0|1,0,1]=3 26 B16R2.205493 Cc1ccc2[nH]cc(CCNCC)c2c1 Amb18894855 [1,0,0,0,0,0|1,0,1]=3 27 B18R2.40892 CC(C)(C)NCCc1c[nH]c2ccc(Cl)cc12 Amb18902790 [0,1,0,0,0,0|2,0,1]=4 28 B18R2.40892 CC(C)(C)NCCc1c[nH]c2ccc(F)cc12 Amb18899032 [0,1,0,0,0,0|2,0,1]=4 29 B18R2.40892 Cc1ccc2[nH]cc(CCNC(C)(C)C)c2c1 Amb18897568 [0,1,0,0,0,0|2,0,1]=4 30 B18R2.120971 CC(=O)NCCc1c[nH]c2ccc(CC)cc12 Amb24073061 [0,1,0,0,0,0|1,0,0]=2 31 B18R2.120971 CC(=O)NCCc1c[s]c2ccc(CC)cc12 Amb24074176 [0,1,0,0,0,0|2,0,0]=3 32 B18R2.120971 COc1cc2c(CCNC(=N)N)c[nH]c2cc1 Amb1053081 [0,1,0,0,0,0|2,0,0]=3 33 B18R2.120971 COc1cc2c(CCSC(=N)N)c[nH]c2cc1 Amb1055688 [0,1,0,0,0,0|3,0,0]=4 34 B18R2.120971 COc1cc2c(cc1)[nH]cc2CCSC(N)=N Amb22283466 [0,1,0,0,0,0|3,0,0]=4 35 B18R2.120971 COc1ccc2c(c1)c(CCNC(=N)N)c[nH]2 Amb2111143 [0,1,0,0,0,0|2,0,0]=3 36 B18R2.120971 COc1ccc2c(c1)c(CCNC(=O)C)c[nH]2 Amb1088356 [0,1,0,0,0,0|0,0,0]=1 37 B18R2.120971 COc1ccc2c(c1)c(CCNC(C)C)c[nH]2 Amb1053076 [0,1,0,0,0,0|1,0,1]=3 38 B18R2.120971 [S-]C(=S)NCCc1c[nH]c2c1cc(OC)cc2 Amb16757936 [0,1,0,0,0,0|1,1,0]=3 39 B18R2.274219 CC(=O)NCC[n]1c(N)[n]c2ccc(Br)cc12 Amb24002731 [0,1,0,0,0,0|2,0,1]=4 40 B18R2.274219 CC(=O)NCC[n]1c(S)[n]c2ccc(Br)cc12 Amb24002681 [0,1,0,0,0,0|2,0,1]=4 41 B18R2.274219 Cc1[nH]c2ccc(Br)cc2c1CCCC(O)=O Amb18908124 [0,1,0,0,0,0|3,0,0]=4 42 B18R2.274219 Cc1[nH]c2ccc(Cl)cc2c1CCCC(O)=O Amb18902973 [0,1,0,0,0,0|3,0,0]=4 43 B18R2.274219 Cc1[nH]c2ccc(Cl)cc2c1CCNC(C)C Amb18902795 [0,1,0,0,0,0|2,0,1]=4 44 B18R2.274219 Cc1[nH]c2ccc(F)cc2c1CCCC(O)=O Amb18740778 [0,1,0,0,0,0|3,0,0]=4 45 B18R2.274219 Cc1[nH]c2ccc(F)cc2c1CCNC(C)C Amb18899037 [0,1,0,0,0,0|2,0,1]=4 46 B18R2.274219 Cc1ccc2[nH]c(C)c(CCCC(O)=O)c2c1 Amb18897832 [0,1,0,0,0,0|3,0,0]=4 47 B18R2.274219 Cc1ccc2[nH]c(C)c(CCNC(C)C)c2c1 Amb18897574 [0,1,0,0,0,0|2,0,1]=4 48 B18R2.274219 Cc1ccc2[n]c(S)[n](CCNC(C)=O)c2c1 Amb24043881 [0,1,0,0,0,0|2,0,1]=4 49 B18R2.495014 Cc1cc2c(CCCC(=O)O)c[nH]c2cc1C Amb17063718 [0,1,0,0,0,0|3,0,0]=4 50 B18R2.508866 C[n]1cc(CCCC(O)=O)c2cc(Cl)ccc12 Amb18902972 [0,1,0,0,0,0|3,0,0]=4 51 B18R2.508866 C[n]1cc(CCCC(O)=O)c2cc(F)ccc12 Amb18899217 [0,1,0,0,0,0|3,0,0]=4 52 B18R2.508866 C[n]1cc(CCNC(C)C)c2cc(Cl)ccc12 Amb18902792 [0,1,0,0,0,0|2,0,1]=4 53 B18R2.508866 C[n]1cc(CCNC(C)C)c2cc(F)ccc12 Amb18899034 [0,1,0,0,0,0|2,0,1]=4 54 B18R2.508866 Cc1ccc2c(c1)c(CCCC(O)=O)c[n]2C Amb18897831 [0,1,0,0,0,0|3,0,0]=4 55 B18R2.508866 Cc1ccc2c(c1)c(CCNC(C)C)c[n]2C Amb18897571 [0,1,0,0,0,0|2,0,1]=4 56 B18R2.746213 NCC(=O)NCCc1c[nH]c2c1cc(Cl)cc2 Amb10072652 [0,1,0,0,0,0|1,0,0]=2 57 B18R2.746213 NCC(=O)NCCc1c[nH]c2c1cc(F)cc2 Amb10072653 [0,1,0,0,0,0|1,0,0]=2 58 B18R2.2319587 Cc1cc2c([nH]cc2CCCC(O)=O)c(C)c1 Amb18750805 [0,1,0,0,0,0|3,0,0]=4 59 B18R2.2319587 Cc1cc2c([nH]cc2CCNC(C)C)c(C)c1 Amb18897654 [0,1,0,0,0,0|2,0,1]=4 60 B18R3.576529 Brc1ccc2[nH]cc(CCNC3CC3)c2c1 Amb18907269 [0,0,0,1,0,0|2,0,1]=4 61 B18R3.576529 Cc1ccc2[nH]cc(CCNC3CC3)c2c1 Amb18244208 [0,0,0,1,0,0|2,0,1]=4 62 B18R3.576529 Clc1ccc2[nH]cc(CCNC3CC3)c2c1 Amb18246396 [0,0,0,1,0,0|2,0,1]=4 63 B18R3.576529 Fc1ccc2[nH]cc(CCNC3CC3)c2c1 Amb18244942 [0,0,0,1,0,0|2,0,1]=4 64 B16R2.15551 CC(=O)CC[n]1ccc2ccc(Br)cc12 Amb24455983 [0,0,0,0,1,0|3,0,0]=4 65 B16R2.15551 CC(=O)CC[n]1ccc2ccc(Cl)cc12 Amb24508086 [0,0,0,0,1,0|3,0,0]=4 66 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(C)cc2 Amb17063415 [0,0,0,0,1,0|1,0,0]=2 67 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(Cl)cc2 Amb17063423 [0,0,0,0,1,0|1,0,0]=2 68 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(F)cc2 Amb17063419 [0,0,0,0,1,0|1,0,0]=2 69 B16R2.15551 CC(=O)OCc1c[s]c2ccc(Cl)cc21 Amb24105119 [0,0,0,0,1,0|3,0,0]=4 70 B16R2.15551 CC(CCc1c[nH]c2c1cc(Br)cc2)N Amb17063489 [0,0,0,0,1,0|2,0,1]=4 71 B16R2.15551 CC(CCc1c[nH]c2c1cc(C)cc2)N Amb17063477 [0,0,0,0,1,0|2,0,1]=4 72 B16R2.15551 CC(CCc1c[nH]c2c1cc(Cl)cc2)N Amb17063485 [0,0,0,0,1,0|2,0,1]=4 73 B16R2.15551 CC(CCc1c[nH]c2c1cc(F)cc2)N Amb17063481 [0,0,0,0,1,0|2,0,1]=4 74 B16R2.15551 CN(C)CCc1c[nH]c2ccc(O)cc12 Amb22733859 [0,0,0,0,1,0|2,0,0]=3 75 B16R2.15551 Cc1cc2c(CCC(=O)O)c[nH]c2cc1 Amb17063346 [0,0,0,0,1,0|2,0,0]=3 76 B16R2.15551 Cc1cc2c(COC(C)=O)c[s]c2cc1 Amb24105121 [0,0,0,0,1,0|3,0,0]=4 77 B16R2.15551 Cc1cc2c(cc[n]2CCC(C)=O)cc1 Amb25742665 [0,0,0,0,1,0|3,0,0]=4 78 B16R2.15551 OC(=O)CCc1c[nH]c2c1cc(Cl)cc2 Amb17063354 [0,0,0,0,1,0|2,0,0]=3 79 B16R2.15551 OC(=O)CCc1c[nH]c2c1cc(F)cc2 Amb17063350 [0,0,0,0,1,0|2,0,0]=3 80 B18R2.31660 CC(=O)NCCc1cccc2ccc(O)cc12 Amb21964015 [0,0,0,0,0,1|1,0,0]=2 81 B18R2.40893 CC(C)CNCCc1c[nH]c2ccc(Br)cc12 Amb23557740 [0,0,0,0,0,1|2,0,1]=4 82 B15R1.8273 CC(=O)NCCN(C)c1cccc(O)c1 Amb22055489 [1,0,1,0,0,0|1,0,1]=4 83 B15R2.5 CNCCCc1c[nH]c2ccccc12 Amb18564544 [2,0,0,0,0,0|2,0,0]=4 84 B15R2.5 C\C=C\CSc1c[nH]c2ccccc12 Amb24521556 [2,0,0,0,0,0|2,0,0]=4 85 B15R2.5 C\C=N\CCc1c[nH]c2ccccc12 Amb24550176 [2,0,0,0,0,0|0,0,1]=3 86 B15R2.5 N#CNCCc1c[nH]c2ccccc12 Amb25231872 [2,0,0,0,0,0|1,0,1]=4 87 B15R2.5 O=C=NCCc1c[nH]c2ccccc12 Amb18564374 [2,0,0,0,0,0|0,0,2]=4 88 B15R2.5 O=CCCCc1c[nH]c2ccccc12 Amb18863217 [2,0,0,0,0,0|1,0,0]=3 89 B15R2.5 O=CNCC[n]1c[n]c2ccccc12 Amb24073043 [2,0,0,0,0,0|1,0,1]=4 90 B15R2.5 O=CN\C=C\c1c[nH]c2ccccc12 Amb24517099 [2,0,0,0,0,0|0,0,2]=4 91 B15R2.17719 CCNCc1c[nH]c2ccc(F)cc21 Amb25080065 [2,0,0,0,0,0|1,0,1]=4 92 B15R2.17719 CNCCc1c[nH]c2ccc(O)cc12 Amb22007982 [2,0,0,0,0,0|0,0,0]=2 93 B15R2.17719 CNCCc1c[nH]c2ccc(O)cc12 Amb22733919 [2,0,0,0,0,0|0,0,0]=2 94 B15R2.17719 CNCCc1c[s]c2ccc(Cl)cc12 Amb23443824 [2,0,0,0,0,0|2,0,0]=4 95 B15R2.17719 CNCCc1c[s]c2ccc(F)cc12 Amb24413160 [2,0,0,0,0,0|2,0,0]=4 96 B15R2.17719 CNCCc1coc2ccc(Br)cc12 Amb25368107 [2,0,0,0,0,0|2,0,0]=4 97 B15R2.17719 Cc1ccc2[nH]cc(CCNC)c2c1 Amb25301495 [2,0,0,0,0,0|1,0,0]=3 98 B15R2.17719 Cc1ccc2[nH]cc(CCOC)c2c1 Amb25250047 [2,0,0,0,0,0|2,0,0]=4 99 B15R2.17719 NCCCc1c[nH]c2ccc(O)cc21 Amb25241530 [2,0,0,0,0,0|1,0,1]=4 100 B15R2.17719 O=CCCc1c[nH]c2ccc(F)cc12 Amb25858719 [2,0,0,0,0,0|1,0,0]=3 101 B17R1.1120 CC(=O)NCCNC(=S)Nc1ccc(cc1)C Amb2313129 [0,1,1,0,0,0|2,0,0]=4 102 B17R1.1120 O=C(Nc1ccc(cc1)Br)NCCNC(=O)C Amb10648617 [0,1,1,0,0,0|2,0,0]=4 103 B17R1.1120 O=C(Nc1ccc(cc1)Cl)NCCNC(=O)C Amb193463 [0,1,1,0,0,0|2,0,0]=4 104 B17R1.1120 O=C(Nc1ccc(cc1)I)NCCNC(=O)C Amb10648924 [0,1,1,0,0,0|2,0,0]=4 105 B17R1.6732 COc1ccc(c(c1)C(=O)CCNC(=O)C)N Amb17607600 [0,1,1,0,0,0|1,0,0]=3 106 B17R2.4 BrCC(=O)NCCc1c[nH]c2c1cccc2 Amb17331669 [1,1,0,0,0,0|0,0,0]=2 107 B17R2.4 CCC(=O)NCCc1c[nH]c2c1cccc2 Amb1797882 [1,1,0,0,0,0|0,0,0]=2 108 B17R2.4 CNC(=O)NCCc1c[nH]c2[n]cccc12 Amb20567432 [1,1,0,0,0,0|1,0,0]=3 109 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 Amb2132777 [1,1,0,0,0,0|0,0,0]=2 110 B17R2.4 CNC(=O)NCCc1c[s]c2ccccc21 Amb22098633 [1,1,0,0,0,0|1,0,0]=3 111 B17R2.4 CNC(=S)NCCc1c[nH]c2c1cccc2 Amb1153171 [1,1,0,0,0,0|0,1,0]=3 112 B17R2.4 ClCC(=O)NCCc1c[nH]c2c1cccc2 Amb1661209 [1,1,0,0,0,0|0,0,0]=2 113 B17R2.4 N#CC(NCCc1c[nH]c2c1cccc2)C Amb17044882 [1,1,0,0,0,0|1,0,1]=4 114 B17R2.4 NCC(=O)NCCc1c[nH]c2c1cccc2 Amb10072650 [1,1,0,0,0,0|0,0,0]=2 115 B17R2.4 NNC(=O)NCCc1c[nH]c2ccccc12 Amb18570399 [1,1,0,0,0,0|1,0,0]=3 116 B17R2.16 OC(=O)C(CCc1c[nH]c2c1cccc2)N Amb16192931 [1,1,0,0,0,0|2,0,0]=4 117 B17R2.39 CC(C)NC(C)Cc1c[nH]c2ccccc12 Amb18225716 [1,1,0,0,0,0|1,0,1]=4 118 B17R2.39 CC(Cc1c[nH]c2ccccc12)CC(O)=O Amb18171185 [1,1,0,0,0,0|2,0,0]=4 119 B17R2.39 NC(Cc1c[nH]c2ccccc12)CC(O)=O Amb18226109 [1,1,0,0,0,0|2,0,0]=4 120 B17R2.39 N[C@@H](Cc1c[nH]c2ccccc12)CC(O)=O Amb22352952 [1,1,0,0,0,0|2,0,0]=4 121 B17R2.877 CC(=O)NNC(=O)c1c[nH]c2c1cccc2 Amb2439220 [1,1,0,0,0,0|1,0,1]=4 122 B17R2.877 CC(C)NCC(O)c1c[nH]c2ccccc12 Amb18570522 [1,1,0,0,0,0|1,0,1]=4 123 B17R2.877 OC(=O)CCC(O)c1c[nH]c2ccccc12 Amb18768199 [1,1,0,0,0,0|2,0,0]=4 124 B17R2.3413 CC(C)(C)NCCc1c[nH]c2ccccc12 Amb18244443 [1,1,0,0,0,0|1,0,1]=4 125 B17R2.3451 CC(=O)NCCn1ccc2c1ccc(c2)Br Amb19147162 [1,1,0,0,0,0|2,0,0]=4 126 B17R2.3451 CC(C)NCCc1c[nH]c2cc(Cl)ccc12 Amb18899710 [1,1,0,0,0,0|1,0,1]=4 127 B17R2.3451 CC(C)NCCc1c[nH]c2cc(F)ccc12 Amb18245525 [1,1,0,0,0,0|1,0,1]=4 128 B17R2.3451 Cc1cc2[nH]cc(CCNC(C)C)c2cc1 Amb18896534 [1,1,0,0,0,0|1,0,1]=4 129 B17R2.3451 Nc1cc2[nH]cc(CCCC(O)=O)c2cc1 Amb18169692 [1,1,0,0,0,0|2,0,0]=4 130 B17R2.3451 OC(=O)CCCc1c[nH]c2c1ccc(c2)C Amb17063399 [1,1,0,0,0,0|2,0,0]=4 131 B17R2.3451 OC(=O)CCCc1c[nH]c2c1ccc(c2)Cl Amb17063406 [1,1,0,0,0,0|2,0,0]=4 132 B17R2.3451 OC(=O)CCCc1c[nH]c2c1ccc(c2)F Amb17063402 [1,1,0,0,0,0|2,0,0]=4 133 B17R2.5025 CC(=O)NCCN1c2ccccc2NC1=O Amb19117348 [1,1,0,0,0,0|1,0,0]=3 134 B17R2.5025 CC(=O)NCCN1c2ccccc2OC1=O Amb20643931 [1,1,0,0,0,0|2,0,0]=4 135 B17R2.5025 CC(=O)NCCc1c(Br)[nH]c2ccccc12 Amb21858426 [1,1,0,0,0,0|0,0,0]=2 136 B17R2.5025 CC(=O)NCCc1c(C)[nH]c2c1cccc2 Amb2235016 [1,1,0,0,0,0|0,0,0]=2 137 B17R2.5025 Cc1[nH]c2ccccc2c1CCCC(O)=O Amb18067289 [1,1,0,0,0,0|2,0,0]=4 138 B17R2.5025 Cc1[nH]c2ccccc2c1CCNC(C)C Amb18866825 [1,1,0,0,0,0|1,0,1]=4 139 B17R2.5025 Cc1[nH]c2ccccc2c1CCNC(N)=N Amb25504465 [1,1,0,0,0,0|2,0,0]=4 140 B17R2.5025 Cc1[n]c2ccccc2[n]1CCNC(C)=O Amb20748559 [1,1,0,0,0,0|1,0,1]=4 141 B17R2.37440 CC(C)NCCc1c[nH]c2c(Cl)cccc12 Amb18246535 [1,1,0,0,0,0|1,0,1]=4 142 B17R2.37440 CC(C)NCCc1c[nH]c2c(F)cccc12 Amb18245511 [1,1,0,0,0,0|1,0,1]=4 143 B17R2.37440 Cc1cccc2c1[nH]cc2CCCC(=O)O Amb17063400 [1,1,0,0,0,0|2,0,0]=4 144 B17R2.37440 Cc1cccc2c1[nH]cc2CCNC(C)C Amb18244477 [1,1,0,0,0,0|1,0,1]=4 145 B17R2.37440 Nc1cccc2c1[nH]cc2CCCC(O)=O Amb18169696 [1,1,0,0,0,0|2,0,0]=4 146 B17R2.37440 OC(=O)CCCc1c[nH]c2c1cccc2Cl Amb17063407 [1,1,0,0,0,0|2,0,0]=4 147 B17R2.37440 OC(=O)CCCc1c[nH]c2c1cccc2F Amb17063403 [1,1,0,0,0,0|2,0,0]=4 148 B17R2.37553 OC(=O)CCCc1c[nH]c2c1c(C)ccc2 Amb17063397 [1,1,0,0,0,0|2,0,0]=4 149 B17R2.37553 OC(=O)CCCc1c[nH]c2c1c(Cl)ccc2 Amb17063404 [1,1,0,0,0,0|2,0,0]=4 150 B17R2.37553 OC(=O)CCCc1c[nH]c2c1c(F)ccc2 Amb17063401 [1,1,0,0,0,0|2,0,0]=4 151 B17R2.298677 CCNCCc1c[nH]c2c1cc(C)cc2C Amb18896527 [1,1,0,0,0,0|1,0,1]=4 152 B17R2.524766 CCNCCc1c2cc(C)ccc2[nH]c1C Amb18244459 [1,1,0,0,0,0|1,0,1]=4 153 B17R2.524766 Cc1[nH]c2ccc(Cl)cc2c1CCNCC Amb18899703 [1,1,0,0,0,0|1,0,1]=4 154 B17R2.524766 Cc1[nH]c2ccc(F)cc2c1CCNCC Amb18245504 [1,1,0,0,0,0|1,0,1]=4 155 B17R2.982539 CCNCCc1c[n](C)c2ccc(Cl)cc12 Amb18899698 [1,1,0,0,0,0|1,0,1]=4 156 B17R2.982539 CCNCCc1c[n](C)c2ccc(F)cc12 Amb18245500 [1,1,0,0,0,0|1,0,1]=4 157 B17R2.982539 Cc1ccc2c(c1)c(CCNCC)c[n]2C Amb18244455 [1,1,0,0,0,0|1,0,1]=4 158 B17R2.1231010 COc1cc2c(CCNC=O)c[nH]c2cc1 Amb1798474 [1,1,0,0,0,0|0,0,0]=2 159 B17R2.25460 CC(=O)CC(c1c[nH]c2c1cc(C)cc2)C Amb17063435 [0,1,0,0,1,0|1,0,0]=3 160 B17R2.25460 CC(CC(O)=O)c1c[nH]c2ccc(Cl)cc21 Amb18063554 [0,1,0,0,1,0|2,0,0]=4 161 B17R2.25460 CC(CC(O)=O)c1c[nH]c2ccc(F)cc21 Amb18063552 [0,1,0,0,1,0|2,0,0]=4 162 B17R2.25460 CC(c1c[nH]c2c1cc(Cl)cc2)CC(=O)C Amb17063443 [0,1,0,0,1,0|1,0,0]=3 163 B17R2.25460 CC(c1c[nH]c2c1cc(F)cc2)CC(=O)C Amb17063439 [0,1,0,0,1,0|1,0,0]=3 164 B17R2.25460 Cc1cc2c(c[nH]c2cc1)C(C)CC(O)=O Amb18561301 [0,1,0,0,1,0|2,0,0]=4 165 B17R2.25460 Cc1cc2c(c[nH]c2cc1)C(O)CC(O)=O Amb18768205 [0,1,0,0,1,0|2,0,0]=4 166 B17R2.25461 Cc1cc2c(CC(C(=O)O)N)c[nH]c2cc1 Amb2099472 [0,1,0,0,1,0|2,0,0]=4 167 B17R2.25461 Cc1cc2c(C[C@@H](N)C(O)=O)c[nH]c2cc1 Amb22898993 [0,1,0,0,1,0|2,0,0]=4 168 B17R2.25461 Cc1cc2c(C[C@H](N)C(O)=O)c[nH]c2cc1 Amb24099325 [0,1,0,0,1,0|2,0,0]=4 169 B17R2.25461 NC(C(=O)O)Cc1c[nH]c2c1cc(Cl)cc2 Amb16184007 [0,1,0,0,1,0|2,0,0]=4 170 B17R2.25461 NC(C(=O)O)Cc1c[nH]c2c1cc(F)cc2 Amb2099508 [0,1,0,0,1,0|2,0,0]=4 171 B17R2.25461 NC(C(=O)O)Cc1c[nH]c2c1cc(N)cc2 Amb16184003 [0,1,0,0,1,0|2,0,0]=4 172 B17R2.25461 N[C@@H](Cc1c[nH]c2ccc(Br)cc21)C(O)=O Amb22745416 [0,1,0,0,1,0|2,0,0]=4 173 B17R2.25461 N[C@@H](Cc1c[nH]c2ccc(O)cc21)C(O)=O Amb22747910 [0,1,0,0,1,0|1,0,0]=3 174 B17R2.25461 N[C@H](Cc1c[nH]c2ccc(O)cc21)C(O)=O Amb24073953 [0,1,0,0,1,0|1,0,0]=3 175 B17R2.25461 OC(=O)C(Cc1c[nH]c2c1cc(O)cc2)N Amb2099473 [0,1,0,0,1,0|1,0,0]=3 176 B17R2.39006 Cc1cc2c(CCC(=O)O)c[nH]c2cc1C Amb17063716 [0,1,0,0,1,0|2,0,0]=4 177 B17R2.73242 CC(=O)CCc1c[nH]c2ccc(CC)cc21 Amb18244251 [0,1,0,0,1,0|1,0,0]=3 178 B17R2.73242 CCc1ccc2c(c1)c(CCC(=O)O)c[nH]2 Amb17506050 [0,1,0,0,1,0|2,0,0]=4 179 B17R2.73242 CN(C)CCc1c[nH]c2ccc(CO)cc12 Amb22055466 [0,1,0,0,1,0|2,0,0]=4 180 B17R2.73242 COc1cc2c(CNC(C)C)c[nH]c2cc1 Amb18658312 [0,1,0,0,1,0|1,0,1]=4 181 B17R2.73242 COc1cc2c(cc1)[nH][n]c2CCC(O)=O Amb20247841 [0,1,0,0,1,0|2,0,0]=4 182 B17R2.73242 COc1cc2c(cc1)[nH]cc2CCN(C)C Amb22730287 [0,1,0,0,1,0|2,0,0]=4 183 B17R2.73242 COc1ccc2c(c1)c(CCC(=O)C)c[nH]2 Amb17063430 [0,1,0,0,1,0|0,0,0]=2 184 B17R2.73242 COc1ccc2c(c1)c(CCC(N)C)c[nH]2 Amb17063493 [0,1,0,0,1,0|1,0,1]=4 185 B17R2.150937 CC(=O)N/N=C1/C(=O)Nc2ccc(C)cc12 Amb17868276 [0,1,0,0,1,0|2,0,0]=4 186 B17R2.150937 CC(=O)N\N=C/1\c2cc(Cl)ccc2NC1=O Amb23019658 [0,1,0,0,1,0|2,0,0]=4 187 B17R2.150937 CN(C)CCc1c(I)[nH]c2ccc(O)cc12 Amb24067461 [0,1,0,0,1,0|2,0,0]=4 188 B17R2.150937 Cc1[nH]c2ccc(Cl)cc2c1CCC(C)=O Amb18899421 [0,1,0,0,1,0|1,0,0]=3 189 B17R2.150937 Cc1[nH]c2ccc(F)cc2c1CCC(C)=O Amb18896703 [0,1,0,0,1,0|1,0,0]=3 190 B17R2.150937 Cc1[nH]c2ccc(O)cc2c1CNC(C)C Amb23149432 [0,1,0,0,1,0|1,0,1]=4 191 B17R2.150937 Cc1c(CCC(=O)O)c2c([nH]1)ccc(c2)C Amb13950527 [0,1,0,0,1,0|2,0,0]=4 192 B17R2.150937 Cc1c(CCC(=O)O)c2c([nH]1)ccc(c2)Cl Amb13950710 [0,1,0,0,1,0|2,0,0]=4 193 B17R2.150937 Cc1c(CCC(=O)O)c2c([nH]1)ccc(c2)F Amb17063587 [0,1,0,0,1,0|2,0,0]=4 194 B17R2.150937 Cc1ccc2[nH]c(C)c(CCC(C)=O)c2c1 Amb18896417 [0,1,0,0,1,0|1,0,0]=3 195 B17R2.266377 CC(=O)CCc1c[n](C)c2ccc(Cl)cc21 Amb18899420 [0,1,0,0,1,0|1,0,0]=3 196 B17R2.266377 CC(=O)CCc1c[n](C)c2ccc(F)cc21 Amb18245219 [0,1,0,0,1,0|1,0,0]=3 197 B17R2.266377 C[n]1cc(CCC(O)=O)c2cc(Cl)ccc12 Amb18064302 [0,1,0,0,1,0|2,0,0]=4 198 B17R2.266377 C[n]1cc(CCC(O)=O)c2cc(F)ccc12 Amb18064301 [0,1,0,0,1,0|2,0,0]=4 199 B17R2.266377 Cc1ccc2c(c1)c(CCC(C)=O)c[n]2C Amb18896416 [0,1,0,0,1,0|1,0,0]=3 200 B17R2.266377 Cc1ccc2c(c1)c(CCC(O)=O)c[n]2C Amb18064295 [0,1,0,0,1,0|2,0,0]=4 201 B17R2.468168 Cc1cc2c([nH]cc2CCC(C)=O)c(C)c1 Amb18244262 [0,1,0,0,1,0|1,0,0]=3 202 B19R2.27143 COc1ccc2c(c1)c(CCNC(=O)C)ccc2 Amb17577187 [0,1,0,0,0,1|1,0,0]=3 203 B19R2.68648 CC(=O)NCCc1c[nH]c2ccc(cc12)OCC Amb24092111 [0,2,0,0,0,0|0,0,0]=2 204 B19R2.68648 CCOc1cc2c(cc1)[nH]cc2CCNC(C)C Amb22549293 [0,2,0,0,0,0|1,0,1]=4 205 B19R2.296928 CC(=O)NCCc1c(I)[nH]c2ccc(cc12)OC Amb22369882 [0,2,0,0,0,0|0,0,0]=2 206 B19R2.1606290 CC(=O)NCCc1c[nH]c2cc(Cl)c(cc12)OC Amb22732650 [0,2,0,0,0,0|0,0,0]=2 207 B19R2.1606290 COc1cc2c(CCNC(=O)C)c[nH]c2cc1O Amb17615478 [0,2,0,0,0,0|0,0,0]=2 208 B19R2.1645485 CNC(=O)NCCc1c[nH]c2c1cc(OC)cc2 Amb2132782 [0,2,0,0,0,0|0,0,0]=2 209 B19R2.1645485 COc1cc2c(CCNC(=O)CN)c[nH]c2cc1 Amb10072651 [0,2,0,0,0,0|0,0,0]=2 210 B19R2.997091 CN\C(\NCCc1c[nH]c2ccc(Br)cc12)=N\C Amb24868936 [0,2,0,0,0,0|2,0,0]=4 211 B19R2.1701655 CCCC(=O)NCCc1c[nH]c2c1cc(C)cc2 Amb10793392 [0,2,0,0,0,0|1,0,0]=3 212 B19R2.1701655 CCCC(=O)NCCc1c[nH]c2c1cc(Cl)cc2 Amb10793339 [0,2,0,0,0,0|1,0,0]=3 213 B19R2.1701655 NCCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 Amb21987897 [0,2,0,0,0,0|1,0,0]=3 214 B19R2.1701655 NCCC(=O)NCCc1c[nH]c2ccc(Cl)cc12 Amb25569980 [0,2,0,0,0,0|1,0,0]=3 215 B19R2.1701655 NCCC(=O)NCCc1c[nH]c2ccc(F)cc12 Amb21987898 [0,2,0,0,0,0|1,0,0]=3 216 B17R3.1964 C(CNC1CC1)c2c[nH]c3ccccc23 Amb18864310 [1,0,0,1,0,0|1,0,1]=4 217 B17R3.64991 OC(=O)C1CC1c2c[nH]c3ccccc23 Amb18864332 [1,0,0,1,0,0|2,0,0]=4 218 B17R3.213452 CC1(C)NCCc2c3ccccc3[nH]c12 Amb18810436 [1,0,0,1,0,0|1,0,1]=4 219 B17R3.3312 Brc1cc2c(c[nH]c2cc1)C3CNCC3 Amb18063942 [1,0,0,1,0,0|1,0,1]=4 220 B17R3.3312 Cc1cc2c(c[nH]c2cc1)C3CNCC3 Amb18063928 [1,0,0,1,0,0|1,0,1]=4 221 B17R3.3312 Clc1cc2c(c[nH]c2cc1)C3CNCC3 Amb18063934 [1,0,0,1,0,0|1,0,1]=4 222 B17R3.3312 Fc1cc2c(c[nH]c2cc1)C3CNCC3 Amb18063933 [1,0,0,1,0,0|1,0,1]=4 223 B17R3.31653 Cc1ccc2[nH]c3CCNCCc3c2c1 Amb22546326 [1,0,0,1,0,0|1,0,1]=4 224 B17R3.284867 Brc1ccc2c(c1)c3CCCC(=O)c3[nH]2 Amb1003554 [1,0,0,1,0,0|2,0,0]=4 225 B17R3.284867 CC1NCCc2c3cc(Br)ccc3[nH]c21 Amb18905984 [1,0,0,1,0,0|1,0,1]=4 226 B17R3.284867 CC1NCCc2c3cc(Cl)ccc3[nH]c21 Amb18244597 [1,0,0,1,0,0|1,0,1]=4 227 B17R3.284867 Cc1ccc2c(c1)c3CCNC(=O)c3[nH]2 Amb1080844 [1,0,0,1,0,0|1,0,0]=3 228 B17R3.284867 Clc1ccc2c(c1)c3CCCC(=O)c3[nH]2 Amb1094142 [1,0,0,1,0,0|2,0,0]=4 229 B17R3.284867 Clc1ccc2c(c1)c3CCNC(=O)c3[nH]2 Amb1099192 [1,0,0,1,0,0|1,0,0]=3 230 B17R3.284867 Fc1ccc2c(c1)c3CCCC(=O)c3[nH]2 Amb1016630 [1,0,0,1,0,0|2,0,0]=4 231 B17R3.284867 Nc1ccc2c(c1)c3CCCC(=O)c3[nH]2 Amb1102399 [1,0,0,1,0,0|2,0,0]=4 232 B17R3.284867 O=C1NCCc2c3cc(F)ccc3[nH]c21 Amb22455580 [1,0,0,1,0,0|1,0,0]=3 233 B19R3.7790954 OC(=O)C1NCCc2c1[nH]c3c2cc(cc3)C Amb2235882 [0,0,0,1,0,1|2,0,0]=4 234 B15R2.6 CC(=O)C=Cc1c[nH]c2ccccc12 Amb24062734 [1,0,0,0,1,0|0,0,2]=4 235 B15R2.6 CC(=O)CCc1[n][nH]c2ccccc12 Amb20247843 [1,0,0,0,1,0|1,0,0]=3 236 B15R2.6 CC(=O)CCc1c[nH]c2[n]cccc12 Amb25354133 [1,0,0,0,1,0|1,0,0]=3 237 B15R2.6 CC(=O)CCc1c[nH]c2c[n]ccc12 Amb25072713 [1,0,0,0,1,0|1,0,0]=3 238 B15R2.6 CC(=O)CCc1c[nH]c2cc[n]cc12 Amb24625781 [1,0,0,0,1,0|1,0,0]=3 239 B15R2.6 CC(=O)NCC1CNc2ccccc21 Amb24096384 [1,0,0,0,1,0|0,0,2]=4 240 B15R2.6 CC(=O)NC[n]1c[n]c2ccccc12 Amb24096322 [1,0,0,0,1,0|1,0,1]=4 241 B15R2.6 CC(=O)OCc1c[nH]c2ccccc21 Amb25087863 [1,0,0,0,1,0|1,0,0]=3 242 B15R2.6 CC(=O)OCc1c[s]c2ccccc21 Amb24105118 [1,0,0,0,1,0|2,0,0]=4 243 B15R2.6 CC(=O)SCc1c[nH]c2ccccc21 Amb24666622 [1,0,0,0,1,0|1,0,0]=3 244 B15R2.6 CC(=O)\C=C\c1c[nH]c2c1cccc2 Amb1818431 [1,0,0,0,1,0|0,0,2]=4 245 B15R2.6 CC(=O)\C=C\c1c[nH]c2c1cccc2 Amb2388998 [1,0,0,0,1,0|0,0,2]=4 246 B15R2.6 CC(Br)CCc1c[nH]c2ccccc12 Amb24606346 [1,0,0,0,1,0|1,0,1]=4 247 B15R2.6 CC(C)=CCc1c[nH]c2ccccc12 Amb17939147 [1,0,0,0,1,0|1,0,1]=4 248 B15R2.6 CC(CCc1c[nH]c2c1cccc2)N Amb17063475 [1,0,0,0,1,0|1,0,1]=4 249 B15R2.6 CC(NCc1c[nH]c2c1cccc2)C Amb16497863 [1,0,0,0,1,0|1,0,1]=4 250 B15R2.6 CC(O)CCc1c[nH]c2ccccc12 Amb23443879 [1,0,0,0,1,0|0,0,2]=4 251 B15R2.6 CC(S)CCc1c[nH]c2ccccc12 Amb25166149 [1,0,0,0,1,0|0,1,1]=4 252 B15R2.6 CN(C)NCc1c[nH]c2ccccc21 Amb25096911 [1,0,0,0,1,0|2,0,0]=4 253 B15R2.6 CN(N)CCc1c[nH]c2ccccc12 Amb25238950 [1,0,0,0,1,0|2,0,0]=4 254 B15R2.6 NC(=N)CCc1c[nH]c2ccccc12 Amb25314729 [1,0,0,0,1,0|2,0,0]=4 255 B15R2.6 NC(=N)NCc1c[nH]c2ccccc21 Amb25784756 [1,0,0,0,1,0|2,0,0]=4 256 B15R2.6 NC(=O)CCc1c[s]c2ccccc12 Amb25035755 [1,0,0,0,1,0|2,0,0]=4 257 B15R2.6 NC(=O)NCc1c[nH]c2ccccc21 Amb22482960 [1,0,0,0,1,0|1,0,0]=3 258 B15R2.6 NC(=S)CCc1c[nH]c2ccccc12 Amb24645631 [1,0,0,0,1,0|1,1,0]=4 259 B15R2.6 O=C(Cl)CCc1c[nH]c2ccccc12 Amb25733134 [1,0,0,0,1,0|1,0,0]=3 260 B15R2.6 O=C(Cl)CCc1c[s]c2ccccc12 Amb25086054 [1,0,0,0,1,0|2,0,0]=4 261 B15R2.6 OC(=O)CCC1=CCc2ccccc21 Amb24498312 [1,0,0,0,1,0|2,0,0]=4 262 B15R2.6 OC(=O)CCc1c[nH]c2c1cccc2 Amb1680030 [1,0,0,0,1,0|1,0,0]=3 263 B15R2.6 OC(=O)CCc1c[nH]c2c1cccn2 Amb13885267 [1,0,0,0,1,0|2,0,0]=4 264 B15R2.6 OC(=O)CCc1c[s]c2ccccc12 Amb18995289 [1,0,0,0,1,0|2,0,0]=4 265 B15R2.6 OC(=O)CCc1coc2ccccc12 Amb18650405 [1,0,0,0,1,0|2,0,0]=4 266 B15R2.6 OC(=O)CSc1c[nH]c2c1cccc2 Amb1030900 [1,0,0,0,1,0|2,0,0]=4 267 B15R2.6 OC(=O)SCc1c[nH]c2ccccc21 Amb25238918 [1,0,0,0,1,0|2,0,0]=4 268 B15R2.6 OC(=S)CCc1c[nH]c2ccccc12 Amb22734547 [1,0,0,0,1,0|1,0,1]=4 269 B15R2.6 [O-]C(=O)CCc1c[nH]c2ccccc12 Amb21928575 [1,0,0,0,1,0|1,0,0]=3 270 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(Br)cc2 Amb17063518 [0,0,0,0,2,0|1,0,0]=3 271 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(C)cc2 Amb17063506 [0,0,0,0,2,0|1,0,0]=3 272 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(Cl)cc2 Amb17063514 [0,0,0,0,2,0|1,0,0]=3 273 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(F)cc2 Amb17063510 [0,0,0,0,2,0|1,0,0]=3 274 B15R2.9410 CC(=O)Cc1c[s]c2ccc(Cl)cc21 Amb24637299 [0,0,0,0,2,0|2,0,0]=4 275 B15R2.9410 CC(=O)Nc1coc2c1cc(Br)cc2 Amb2223696 [0,0,0,0,2,0|2,0,0]=4 276 B15R2.9410 CC(=O)Oc1c[nH]c2ccc(F)cc21 Amb19373831 [0,0,0,0,2,0|2,0,0]=4 277 B15R2.9410 CC(N)Cc1c[nH]c2ccc(O)cc21 Amb18650603 [0,0,0,0,2,0|1,0,1]=4 278 B15R2.9410 CC(N)Cc1c[nH]c2ccc(O)cc21 Amb22349712 [0,0,0,0,2,0|1,0,1]=4 279 B15R2.9410 CN(C)Cc1c[nH]c2ccc(O)cc21 Amb25055132 [0,0,0,0,2,0|2,0,0]=4 280 B15R2.9410 C[C@H](N)Cc1c[nH]c2ccc(O)cc21 Amb24597010 [0,0,0,0,2,0|1,0,1]=4 281 B15R2.9410 Cc1cc2c(c[nH]c2cc1)NC(C)=O Amb24638861 [0,0,0,0,2,0|1,0,0]=3 282 B15R2.9410 Cc1cc2c(c[nH]c2cc1)OC(C)=O Amb19373827 [0,0,0,0,2,0|2,0,0]=4 283 B15R2.9410 NC(=O)CC1=CCc2ccc(O)cc21 Amb25697151 [0,0,0,0,2,0|2,0,0]=4 284 B15R2.9410 NC(=O)Cc1c[nH]c2ccc(Cl)cc21 Amb18896011 [0,0,0,0,2,0|2,0,0]=4 285 B15R2.9410 NC(=O)Cc1c[nH]c2ccc(F)cc21 Amb18894154 [0,0,0,0,2,0|2,0,0]=4 286 B15R2.9410 NC(=O)Cc1c[nH]c2ccc(O)cc21 Amb22732389 [0,0,0,0,2,0|1,0,0]=3 287 B15R2.9410 Nc1cc2c(CC(O)=O)c[nH]c2cc1 Amb20247765 [0,0,0,0,2,0|2,0,0]=4 288 B15R2.9410 OC(=O)Cc1c[nH]c2c1cc(O)cc2 Amb2099585 [0,0,0,0,2,0|1,0,0]=3 289 B15R2.9410 OC(=O)Cc1c[nH]c2ccc(I)cc21 Amb25164963 [0,0,0,0,2,0|2,0,0]=4 290 B15R2.9410 Oc1cc2c(CC(O)=O)c[s]c2cc1 Amb25164987 [0,0,0,0,2,0|2,0,0]=4 291 B15R2.9410 Oc1cc2c(cc1)[nH]cc2CC(O)=O Amb21929291 [0,0,0,0,2,0|1,0,0]=3 292 B15R2.9410 [O-]C(=O)Cc1c[nH]c2c1cc(O)cc2 Amb10809117 [0,0,0,0,2,0|1,0,0]=3 293 B15R2.9410 [O-]C(=O)Cc1c[nH]c2ccc(O)cc12 Amb22734964 [0,0,0,0,2,0|1,0,0]=3 294 B15R2.13949 CC(=O)NCC1Cc2ccc(O)cc21 Amb25165846 [0,0,0,0,2,0|0,0,2]=4 295 B17R1.96871 CC(=O)NCCNC(=O)c1cc(Br)ccc1N Amb18938327 [0,0,1,0,0,1|2,0,0]=4 296 B17R2.137 CC(=O)CC\C=C\c1c[nH]c2ccccc21 Amb18225153 [1,0,0,0,0,1|1,0,1]=4 297 B17R2.137 CC(=O)NCCCn1cnc2c1cccc2 Amb11244505 [1,0,0,0,0,1|1,0,1]=4 298 B17R2.137 CC(C)NCCCc1c[nH]c2ccccc12 Amb18244444 [1,0,0,0,0,1|1,0,1]=4 299 B17R2.137 NC(=O)CCSCc1c[nH]c2c1cccc2 Amb1918259 [1,0,0,0,0,1|2,0,0]=4 300 B17R2.137 OC(=O)CCSCc1c[nH]c2c1cccc2 Amb1903971 [1,0,0,0,0,1|2,0,0]=4 301 B17R2.5669 CC(=O)NCCc1cc2ccccc2cc1 Amb21962168 [1,0,0,0,0,1|1,0,0]=3 302 B19R2.48704 CC(=O)NCCNc1ccnc2c1cc(Cl)cc2 Amb16889729 [0,0,0,0,0,2|1,0,1]=4 303 B19R2.48704 CC(=O)NCCNc1ncnc2c1cc(Br)cc2 Amb16887801 [0,0,0,0,0,2|1,0,1]=4 304 B19R2.48704 CC(=O)NCCNc1ncnc2c1cc(C)cc2 Amb17602651 [0,0,0,0,0,2|1,0,1]=4 305 B19R2.48704 CC(=O)NCCNc1ncnc2c1cc(F)cc2 Amb16887870 [0,0,0,0,0,2|1,0,1]=4 306 B19R2.48704 Cc1cc2c(cc1)[n]ccc2NCCNC(C)=O Amb23832955 [0,0,0,0,0,2|1,0,1]=4