0 B17R2.213 Nc1ccc(cc1)c2ccc(cc2)[N+](=O)[O-] CSC000009234 [0,0,0,0,0,0|2,0,1]=3 1 B17R2.213 OC(=O)c1ccc(cc1)c2ccc(cc2)Cl CSC011219960 [0,0,0,0,0,0|0,1,0]=1 2 B17R2.213 OC(=O)c1ccc(cc1)c2ccc(cc2)F CSC011217427 [0,0,0,0,0,0|0,0,0]=0 3 B17R2.213 OC(=O)c1ccc(cn1)c2ccc(cc2)F CSC011781142 [0,0,0,0,0,0|1,0,0]=1 4 B17R2.213 Oc1ccc(cc1)c2ccc(cc2)[N+](=O)[O-] CSC000009330 [0,0,0,0,0,0|2,0,1]=3 5 B16R2.13 CCc1ccc(cc1)c2ccc(cc2)O CSC011997752 [1,0,0,0,0,0|2,0,1]=4 6 B16R2.13 COc1ccc(cc1)c2ccc(cc2)Br CSC009813857 [1,0,0,0,0,0|2,1,0]=4 7 B16R2.13 COc1ccc(cc1)c2ccc(cc2)C CSC000005915 [1,0,0,0,0,0|3,0,0]=4 8 B16R2.13 COc1ccc(cc1)c2ccc(cc2)F CSC010163885 [1,0,0,0,0,0|2,0,0]=3 9 B16R2.13 COc1ccc(cc1)c2ccc(cc2)N CSC011216520 [1,0,0,0,0,0|3,0,0]=4 10 B16R2.13 CSc1ccc(cc1)c2ccc(cc2)N CSC010140803 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.13 Cc1ccc(cc1)c2ccc(cc2)C#N CSC000067128 [1,0,0,0,0,0|2,0,1]=4 12 B16R2.13 Fc1ccc(cc1)c2ccc(nc2)C#N CSC000086690 [1,0,0,0,0,0|2,0,1]=4 13 B16R2.13 Nc1ccc(cc1)c2ccc(cc2)C#N CSC000011239 [1,0,0,0,0,0|2,0,1]=4 14 B16R2.13 OCc1ccc(cc1)c2ccc(cc2)F CSC010002969 [1,0,0,0,0,0|0,0,1]=2 15 B16R2.13 Oc1ccc(cc1)c2ccc(cc2)C#N CSC000188986 [1,0,0,0,0,0|2,0,1]=4 16 B16R2.85 CC(O)c1ccc(cc1)c2ccccc2 CSC011216184 [1,0,0,0,0,0|1,0,1]=3 17 B16R2.85 NC(=O)c1ccc(cc1)c2ccccc2 CSC000003340 [1,0,0,0,0,0|1,0,0]=2 18 B16R2.85 OC(=O)c1ccc(cc1)c2cccnc2 CSC011399805 [1,0,0,0,0,0|1,0,0]=2 19 B16R2.85 OC(=O)c1ccc(cc1)c2ccncc2 CSC011410164 [1,0,0,0,0,0|1,0,0]=2 20 B16R2.85 OC(=O)c1ccc(cc1)c2cncnc2 CSC011688927 [1,0,0,0,0,0|2,0,0]=3 21 B16R2.85 [O-][N+](=O)c1ccc(cc1)c2ccccn2 CSC009992643 [1,0,0,0,0,0|2,0,1]=4 22 B18R2.54 CCc1ccc(cc1)c2ccc(cc2)C(=O)O CSC000297590 [0,1,0,0,0,0|1,0,0]=2 23 B18R2.54 COc1ccc(cc1)c2ccc(cc2)C(=O)O CSC000274308 [0,1,0,0,0,0|1,0,0]=2 24 B18R2.54 COc1ccc(cc1)c2ccc(cc2)[N+](=O)[O-] CSC009604484 [0,1,0,0,0,0|2,0,1]=4 25 B18R2.54 OC(=O)c1ccc(cc1)c2ccc(cc2)C#N CSC020627249 [0,1,0,0,0,0|1,0,0]=2 26 B18R2.54 OCc1ccc(cc1)c2ccc(cc2)C(=O)O CSC020626252 [0,1,0,0,0,0|1,0,0]=2 27 B18R2.54 [O-][N+](=O)c1ccc(cc1)c2ccc(cc2)C#N CSC015287956 [0,1,0,0,0,0|2,0,1]=4 28 B18R2.4057 OC(=O)c1ccc(cc1)c2ccc(cc2F)F CSC005482677 [0,1,0,0,0,0|0,0,0]=1 29 B18R2.9088 Cc1ccc(cc1C)c2ccc(cc2)C(=O)O CSC005482688 [0,1,0,0,0,0|1,0,0]=2 30 B18R2.9088 Cc1ccc(cc1F)c2ccc(cc2)C(=O)O CSC006007979 [0,1,0,0,0,0|1,0,0]=2 31 B18R2.9476 COC(=O)c1ccc(cc1)c2ccc(cc2)C CSC015369350 [0,1,0,0,0,0|1,0,0]=2 32 B18R2.9476 COC(=O)c1ccc(cc1)c2ccc(cc2)O CSC020631646 [0,1,0,0,0,0|1,0,0]=2 33 B16R2.2827 Cc1ccc(s1)c2ccc(cc2)C(=O)O CSC012316611 [0,0,0,0,1,0|2,0,0]=3 34 B16R2.2865 Cc1ccc(cc1)c2ccc(o2)C(=O)O CSC000186495 [0,0,0,0,1,0|2,0,0]=3 35 B16R2.2865 Cc1ccc(cc1)c2ccc(s2)C(=O)O CSC011217629 [0,0,0,0,1,0|2,0,0]=3 36 B16R2.2865 NC(=O)c1cc(on1)c2ccc(cc2)F CSC049029513 [0,0,0,0,1,0|3,0,0]=4 37 B16R2.2865 NC(=O)c1ccc(s1)c2ccc(cc2)Cl CSC000017084 [0,0,0,0,1,0|2,1,0]=4 38 B16R2.2865 OC(=O)c1cc(c[nH]1)c2ccc(cc2)F CSC010073819 [0,0,0,0,1,0|1,0,0]=2 39 B18R2.271 CC(=O)Nc1ccc(cc1)c2ccc(cc2)F CSC015185186 [0,0,0,0,0,1|1,0,0]=2 40 B18R2.271 OC(=O)Cc1ccc(cc1)c2ccc(cc2)Cl CSC000015650 [0,0,0,0,0,1|0,1,0]=2 41 B18R2.9194 Cc1ccc(cc1)Nc2ccc(cc2)[N+](=O)[O-] CSC046233294 [0,0,0,0,0,1|2,0,1]=4 42 B18R2.9194 Cc1ccc(cc1)Sc2ccc(cc2)[N+](=O)[O-] CSC015237432 [0,0,0,0,0,1|2,0,1]=4 43 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Nc2ccc(cc2)F CSC015294287 [0,0,0,0,0,1|1,0,1]=3 44 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2)Br CSC000251176 [0,0,0,0,0,1|1,1,1]=4 45 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2)Cl CSC014065652 [0,0,0,0,0,1|1,1,1]=4 46 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Oc2ccc(cc2)F CSC025745082 [0,0,0,0,0,1|1,0,1]=3 47 B18R2.9194 [O-][N+](=O)c1ccc(cc1)Sc2ccc(cc2)F CSC016996088 [0,0,0,0,0,1|1,0,1]=3 48 B18R2.9194 [O-][N+](=O)c1ccc(nc1)Nc2ccc(cc2)F CSC046089368 [0,0,0,0,0,1|2,0,1]=4 49 B18R2.9194 [O-][N+](=O)c1ccc(nc1)Oc2ccc(cc2)F CSC015282738 [0,0,0,0,0,1|2,0,1]=4 50 B18R2.9194 [O-][N+](=O)c1ccc(nc1)Sc2ccc(cc2)F CSC020671257 [0,0,0,0,0,1|2,0,1]=4 51 B15R2.1 COc1ccc(cc1)c2ccccc2 CSC000005834 [2,0,0,0,0,0|2,0,0]=4 52 B15R2.1 CSc1ccc(cc1)c2ccccc2 CSC000052044 [2,0,0,0,0,0|2,0,0]=4 53 B15R2.1 NCc1ccc(cc1)c2ccccc2 CSC000168354 [2,0,0,0,0,0|1,0,1]=4 54 B15R2.1 OCc1ccc(cc1)c2ccccn2 CSC000067868 [2,0,0,0,0,0|1,0,1]=4 55 B15R2.3 Nc1ccc(cc1)c2ccc(cc2)Cl CSC011218009 [2,0,0,0,0,0|1,1,0]=4 56 B15R2.3 Nc1ccc(cc1)c2ccc(cc2)F CSC011217284 [2,0,0,0,0,0|1,0,0]=3 57 B15R2.3 Nc1ccc(cc1)c2ccc(cc2)O CSC000076097 [2,0,0,0,0,0|1,0,0]=3 58 B15R2.3 Oc1ccc(cc1)c2ccc(cc2)O CSC000042617 [2,0,0,0,0,0|1,0,0]=3 59 B17R2.51 OCc1ccc(cc1)c2ccc(cc2)CO CSC000061223 [1,1,0,0,0,0|1,0,1]=4 60 B17R2.224 COC(=O)c1ccc(cc1)c2ccccc2 CSC000148941 [1,1,0,0,0,0|0,0,0]=2 61 B17R2.224 COC(=O)c1ccc(cc1)c2ccncc2 CSC000071783 [1,1,0,0,0,0|1,0,0]=3 62 B17R2.224 COC(=O)c1cnc(nc1)c2ccccc2 CSC000055719 [1,1,0,0,0,0|2,0,0]=4 63 B17R2.224 NNC(=O)c1ccc(cc1)c2ccccc2 CSC000016253 [1,1,0,0,0,0|1,0,0]=3 64 B17R2.2464 NS(=O)(=O)c1ccc(cc1)c2ccccc2 CSC000262077 [1,1,0,0,0,0|1,0,1]=4 65 B17R2.3358 Cc1cccc(c1)c2ccc(cc2)C(=O)O CSC011216982 [1,1,0,0,0,0|0,0,0]=2 66 B17R2.3358 OC(=O)c1ccc(cc1)c2cccc(c2)Cl CSC011219955 [1,1,0,0,0,0|0,0,0]=2 67 B17R2.3358 OC(=O)c1ccc(cc1)c2cccc(c2)F CSC011217428 [1,1,0,0,0,0|0,0,0]=2 68 B17R2.3358 OC(=O)c1ccc(cc1)c2cccc(c2)O CSC010140794 [1,1,0,0,0,0|0,0,0]=2 69 B17R2.3935 Cc1ccccc1c2ccc(cc2)C(=O)O CSC011216752 [1,1,0,0,0,0|0,0,0]=2 70 B17R2.3935 NC(=O)c1ccc(cc1)c2ccccc2F CSC000023390 [1,1,0,0,0,0|1,0,0]=3 71 B17R2.3935 OC(=O)c1ccc(cc1)c2ccccc2Cl CSC011217429 [1,1,0,0,0,0|0,0,0]=2 72 B17R2.3935 OC(=O)c1ccc(cc1)c2ccccc2F CSC011217417 [1,1,0,0,0,0|0,0,0]=2 73 B17R2.71 COc1ccc(cc1)c2ccc(s2)C(=O)O CSC011246611 [0,1,0,0,1,0|2,0,0]=4 74 B17R2.71 COc1ccc(cc1)c2csc(c2)C(=O)O CSC000037334 [0,1,0,0,1,0|2,0,0]=4 75 B17R2.71 CSc1ccc(cc1)c2ccc(s2)C(=O)O CSC010176212 [0,1,0,0,1,0|2,0,0]=4 76 B17R2.409 Cc1ccc(cc1C)c2ccc(o2)C(=O)O CSC000186497 [0,1,0,0,1,0|2,0,0]=4 77 B17R2.409 Cc1ccc(cc1Cl)c2ccc(o2)C(=O)O CSC000188151 [0,1,0,0,1,0|2,0,0]=4 78 B17R2.409 OC(=O)c1ccc(o1)c2ccc(c(c2)Cl)Cl CSC000187358 [0,1,0,0,1,0|1,1,0]=4 79 B17R2.616 COC(=O)c1cc([nH]n1)c2ccc(cc2)F CSC011258121 [0,1,0,0,1,0|2,0,0]=4 80 B17R2.616 COC(=O)c1csc(n1)c2ccc(cc2)F CSC000205500 [0,1,0,0,1,0|2,0,0]=4 81 B17R2.3272 Cc1ccc(cc1)c2cc(n(c2)C)C(=O)O CSC020771358 [0,1,0,0,1,0|2,0,0]=4 82 B17R2.3272 Cn1cc(cc1C(=O)O)c2ccc(cc2)F CSC020886842 [0,1,0,0,1,0|1,0,0]=3 83 B17R2.3272 Cn1nc(cc1C(=O)O)c2ccc(cc2)F CSC010187879 [0,1,0,0,1,0|2,0,0]=4 84 B19R2.12217 [O-][N+](=O)c1ccc(c(c1)Cl)Oc2ccc(cc2)F CSC047467460 [0,1,0,0,0,1|1,0,1]=4 85 B19R2.48 COC(=O)c1ccc(cc1)c2ccc(cc2)OC CSC020567724 [0,2,0,0,0,0|1,0,0]=3 86 B19R2.8732 CC(=O)c1ccc(cc1)c2ccc(cc2)C(=O)O CSC020605352 [0,2,0,0,0,0|1,0,0]=3 87 B15R2.59 NC(=O)c1ccc(o1)c2ccccc2 CSC000010916 [1,0,0,0,1,0|2,0,0]=4 88 B15R2.59 OC(=O)c1cc(c[nH]1)c2ccccc2 CSC000118222 [1,0,0,0,1,0|1,0,0]=3 89 B15R2.60 CC(=O)c1ccc(cc1)c2ccsc2 CSC011216506 [1,0,0,0,1,0|2,0,0]=4 90 B15R2.60 NC(=O)c1ccc(cc1)n2cccc2 CSC000223275 [1,0,0,0,1,0|2,0,0]=4 91 B15R2.60 OC(=O)c1ccc(cc1)c2ccoc2 CSC011954318 [1,0,0,0,1,0|1,0,0]=3 92 B15R2.60 OC(=O)c1ccc(cc1)c2ccsc2 CSC011218173 [1,0,0,0,1,0|1,0,0]=3 93 B15R2.60 OC(=O)c1ccc(nc1)c2ccco2 CSC000068329 [1,0,0,0,1,0|2,0,0]=4 94 B17R2.141 [O-][N+](=O)c1ccc(cc1)Sc2ccccc2 CSC000002582 [1,0,0,0,0,1|1,0,1]=4 95 B17R2.246 CC(=O)Nc1ccc(cn1)c2ccccc2 CSC000053787 [1,0,0,0,0,1|2,0,0]=4 96 B17R2.246 CC(=O)Oc1ccc(cc1)c2ccccc2 CSC000002290 [1,0,0,0,0,1|1,0,0]=3 97 B17R2.246 NC(=O)Cc1ccc(cc1)c2ccccc2 CSC000003337 [1,0,0,0,0,1|1,0,0]=3 98 B17R2.246 OC(=O)Cc1ccc(cc1)c2cccnc2 CSC000067272 [1,0,0,0,0,1|1,0,0]=3 99 B17R2.246 OC(=O)Cc1ccc(cc1)c2ccncc2 CSC000049109 [1,0,0,0,0,1|1,0,0]=3 100 B17R2.3281 Cc1ccc(cc1)c2cccc(c2)C(=O)O CSC011216653 [0,0,0,0,1,1|1,0,0]=3 101 B17R2.3281 OC(=O)c1cccc(c1)c2ccc(cc2)Cl CSC011217559 [0,0,0,0,1,1|0,1,0]=3 102 B17R2.3281 OC(=O)c1cccc(c1)c2ccc(cc2)F CSC011217260 [0,0,0,0,1,1|0,0,0]=2 103 B19R2.12215 CC(=O)Nc1ccc(cc1)Oc2ccc(cc2)Cl CSC046179971 [0,0,0,0,0,2|1,1,0]=4 104 B19R2.12215 CC(=O)Nc1ccc(cc1)Sc2ccc(cc2)Br CSC046196384 [0,0,0,0,0,2|1,1,0]=4 105 B19R2.12337 CC(=O)c1ccc(cc1)OCc2ccc(cc2)Br CSC000578345 [0,0,0,0,0,2|1,1,0]=4 106 B19R2.12337 CC(=O)c1ccc(cc1)OCc2ccc(cc2)C CSC000578348 [0,0,0,0,0,2|2,0,0]=4 107 B19R2.12337 CC(=O)c1ccc(cc1)OCc2ccc(cc2)Cl CSC000578344 [0,0,0,0,0,2|1,1,0]=4 108 B19R2.12337 Cc1ccc(cc1)COc2ccc(cc2)C(=O)N CSC046267936 [0,0,0,0,0,2|2,0,0]=4 109 B19R2.12337 Cc1ccc(cc1)SCc2ccc(cc2)C(=O)N CSC048288321 [0,0,0,0,0,2|2,0,0]=4 110 B19R2.12337 NC(=O)c1ccc(cc1)COc2ccc(cc2)Br CSC000622407 [0,0,0,0,0,2|1,1,0]=4 111 B19R2.12337 NC(=O)c1ccc(cc1)CSc2ccc(cc2)Cl CSC046154124 [0,0,0,0,0,2|1,1,0]=4 112 B19R2.12337 NC(=O)c1ccc(cc1)OCc2ccc(cc2)Br CSC000578263 [0,0,0,0,0,2|1,1,0]=4 113 B19R2.12337 NC(=O)c1ccc(cc1)OCc2ccc(cc2)Cl CSC046138849 [0,0,0,0,0,2|1,1,0]=4 114 B19R2.12337 [O-][N+](=O)c1ccc(cc1)CNc2ccc(cc2)F CSC000390191 [0,0,0,0,0,2|1,0,1]=4 115 B19R2.12337 [O-][N+](=O)c1ccc(cc1)CSc2ccc(cc2)F CSC046084633 [0,0,0,0,0,2|1,0,1]=4