0 B13R1.450 CCNC(=O)c1cc(cc(c1)F)F H61646 [0,0,0,0,0,0|2,2,0]=4 1 B13R1.450 CCOC(=O)c1cc(cc(c1)C)C L02890 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.450 CCOC(=O)c1cc(nc(c1)Cl)C H27778 [0,0,0,0,0,0|1,0,0]=1 3 B13R1.450 CCOC(=O)c1cc(nc(c1)O)C H27775 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.17 CCNC(=O)c1cccc(c1)C H59871 [1,0,0,0,0,0|3,0,0]=4 5 B12R1.17 CCNC(=O)c1cccc(c1)Cl H58141 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.17 CCOC(=O)c1cc(cnc1)Br B20788 [1,0,0,0,0,0|2,1,0]=4 7 B12R1.17 CCOC(=O)c1cccc(c1)Br A10251 [1,0,0,0,0,0|1,1,0]=3 8 B12R1.17 CCOC(=O)c1cccc(c1)C B23925 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.17 CCOC(=O)c1cccc(c1)Cl L01065 [1,0,0,0,0,0|1,0,0]=2 10 B12R1.17 CCOC(=O)c1cccc(c1)F L07984 [1,0,0,0,0,0|1,1,0]=3 11 B12R1.17 CCOC(=O)c1cccc(c1)I A14210 [1,0,0,0,0,0|1,1,0]=3 12 B12R1.17 CCOC(=O)c1cccc(c1)N A14448 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.17 CCOC(=O)c1cccc(c1)O A15343 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.17 CCOC(=O)c1cccc(c1)[Zn+] H58105 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.17 CCOC(=O)c1cccc(n1)Cl H61701 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.17 CCOC(=O)c1ccnc(c1)C H57239 [1,0,0,0,0,0|1,0,0]=2 17 B12R1.17 CCOC(=O)c1ccnc(c1)N H61280 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.358 CCC(=O)c1cc(cc(c1)F)F B20150 [1,0,0,0,0,0|1,2,0]=4 19 B12R1.358 COC(=O)c1cc(cc(c1)Br)Br B20668 [1,0,0,0,0,0|1,2,0]=4 20 B12R1.358 COC(=O)c1cc(cc(c1)Br)F H32262 [1,0,0,0,0,0|1,2,0]=4 21 B12R1.358 COC(=O)c1cc(cc(c1)Br)O H51724 [1,0,0,0,0,0|2,1,0]=4 22 B12R1.358 COC(=O)c1cc(cc(c1)Cl)Cl B25311 [1,0,0,0,0,0|1,0,0]=2 23 B12R1.358 COC(=O)c1cc(cc(c1)F)F L17171 [1,0,0,0,0,0|1,2,0]=4 24 B12R1.358 COC(=O)c1cc(cc(c1)F)N H63038 [1,0,0,0,0,0|2,1,0]=4 25 B12R1.358 COC(=O)c1cc(cc(c1)I)Cl B25444 [1,0,0,0,0,0|1,1,0]=3 26 B12R1.358 COC(=O)c1cc(cc(c1)N)N L10848 [1,0,0,0,0,0|3,0,0]=4 27 B12R1.358 COC(=O)c1cc(cc(c1)O)O A15224 [1,0,0,0,0,0|3,0,0]=4 28 B12R1.358 COC(=O)c1cc(nc(c1)Cl)Cl A17468 [1,0,0,0,0,0|0,0,0]=1 29 B12R1.358 Cc1cc(cc(c1)C(=O)OC)C A12287 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.358 Cc1cc(cc(n1)Cl)C(=O)OC H56006 [1,0,0,0,0,0|1,0,0]=2 31 B12R1.358 c1c(cc(cc1Cl)Cl)C(=O)NN B22383 [1,0,0,0,0,0|3,0,0]=4 32 B14R1.6821 CCOC(=O)c1cc(c(c(c1)Cl)O)Cl A12489 [0,1,0,0,0,0|1,0,0]=2 33 B14R1.6821 CCOC(=O)c1cc(c(c(c1)O)O)O A13733 [0,1,0,0,0,0|3,0,0]=4 34 B12R1.313 CCOC(=O)c1c(nc(s1)Br)C H51833 [0,0,0,0,1,0|2,1,0]=4 35 B12R1.313 CCOC(=O)c1c(nc(s1)C)C B20864 [0,0,0,0,1,0|3,0,0]=4 36 B12R1.313 CCOC(=O)c1c(nc(s1)N)C A16896 [0,0,0,0,1,0|3,0,0]=4 37 B12R1.313 CCOC(=O)c1cc(nn1C)C H61629 [0,0,0,0,1,0|3,0,0]=4 38 B12R1.313 CCOC(=O)c1cc(sc1N)C H61766 [0,0,0,0,1,0|3,0,0]=4 39 B14R1.952 CCOC(=O)Cc1cc(cc(c1)C)C L10423 [0,0,0,0,0,1|3,0,0]=4 40 B11R1.16 CCCC(=O)c1ccccc1 A11345 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.16 CCOC(=N)c1ccccc1 L17684 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.16 CCOC(=O)c1ccccc1 44283 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.16 CCOC(=O)c1ccccc1 A13057 [2,0,0,0,0,0|1,0,0]=3 44 B11R1.16 CCOC(=O)c1ccccn1 A13973 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.16 CCOC(=O)c1cccnc1 L03215 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.16 CCOC(=O)c1ccncc1 L03010 [2,0,0,0,0,0|0,0,0]=2 47 B11R1.16 CCOC(=O)c1ccncn1 H64662 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.23 CCC(=O)c1cccc(c1)Br A16757 [2,0,0,0,0,0|1,1,0]=4 49 B11R1.23 CCC(=O)c1cccc(c1)Cl A12542 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.23 CCC(=O)c1cccc(c1)F L11922 [2,0,0,0,0,0|1,1,0]=4 51 B11R1.23 CNC(=O)c1cccc(c1)Cl H56565 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.23 CNC(=O)c1ccnc(c1)Cl H57458 [2,0,0,0,0,0|1,0,0]=3 53 B11R1.23 COC(=O)c1cc(ccn1)Cl H60532 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.23 COC(=O)c1cccc(c1)Br A16174 [2,0,0,0,0,0|1,1,0]=4 55 B11R1.23 COC(=O)c1cccc(c1)Cl B21371 [2,0,0,0,0,0|1,0,0]=3 56 B11R1.23 COC(=O)c1cccc(c1)N A14766 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.23 COC(=O)c1cccc(c1)O A14425 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.23 COC(=O)c1cccc(n1)Cl H64023 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.23 COC(=O)c1ccnc(c1)N L19869 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.23 Cc1cccc(c1)C(=O)OC A10893 [2,0,0,0,0,0|2,0,0]=4 61 B11R1.23 c1cc(cc(c1)Cl)C(=O)CBr H66077 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.23 c1cc(cc(c1)Cl)C(=O)OO L00286 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.74 CC(=O)c1cc(cc(c1)Cl)F H26808 [2,0,0,0,0,0|1,1,0]=4 64 B11R1.74 Cc1cc(cc(n1)Cl)C(=O)O L10544 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.74 Cc1cc(cc(n1)O)C(=O)O H27716 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)Cl B24676 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)N B21959 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.74 c1c(cc(cc1Cl)Cl)C(=O)O A15168 [2,0,0,0,0,0|1,0,0]=3 69 B11R1.74 c1c(cc(cc1F)Cl)C(=O)O H26567 [2,0,0,0,0,0|1,1,0]=4 70 B11R1.74 c1c(cc(nc1Cl)Cl)C(=O)O B20541 [2,0,0,0,0,0|0,0,0]=2 71 B11R1.74 c1c(cc(nc1Cl)Cl)[N+](=O)[O-] H27131 [2,0,0,0,0,0|1,0,1]=4 72 B11R1.74 c1c(cc(nc1O)O)C(=O)O A15461 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.74 c1c(nc(nc1Cl)Cl)C(=O)O H54596 [2,0,0,0,0,0|1,0,0]=3 74 B13R1.18 CCCNC(=O)c1cccc(c1)Cl H58583 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.147 CC(C)NC(=O)c1cccc(c1)Cl H56655 [1,1,0,0,0,0|2,0,0]=4 76 B13R1.147 CC(C)NC(=O)c1ccnc(c1)Cl H57250 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Br A10334 [1,1,0,0,0,0|1,1,0]=4 78 B13R1.446 CCOC(=O)c1cc(ccc1Cl)Cl A16094 [1,1,0,0,0,0|1,0,0]=3 79 B13R1.446 CCOC(=O)c1cc(ccc1N)I B25484 [1,1,0,0,0,0|1,1,0]=4 80 B13R1.460 CCOC(=O)c1cccc(c1)C=O H50945 [1,1,0,0,0,0|2,0,0]=4 81 B13R1.460 CCOC(=O)c1cccc(c1)OC A10902 [1,1,0,0,0,0|2,0,0]=4 82 B13R1.466 CCOC(=O)c1ccc(c(c1)N)N A17236 [1,1,0,0,0,0|2,0,0]=4 83 B13R1.466 CCOC(=O)c1ccc(c(c1)O)O A11001 [1,1,0,0,0,0|2,0,0]=4 84 B13R1.314 COc1cc(cc(n1)Cl)C(=O)OC H33438 [1,1,0,0,0,0|1,0,0]=3 85 B13R1.4789 COC(=O)c1cc(cc(c1N)I)Cl L20188 [1,1,0,0,0,0|1,1,0]=4 86 B15R1.3898 c1c(cc(cc1Cl)Cl)NC(=O)CCCCl H59391 [0,1,0,0,0,1|2,0,0]=4 87 B15R1.36507 CCOC(=O)c1cc(nc(c1C#N)S)C B20550 [0,2,0,0,0,0|2,0,0]=4 88 B11R1.15 CCOC(=O)c1cc(n[nH]1)C A12304 [1,0,0,0,1,0|2,0,0]=4 89 B11R1.15 CCOC(=O)c1cc(no1)C H63741 [1,0,0,0,1,0|2,0,0]=4 90 B11R1.15 CCOC(=O)c1ccc(o1)Br H52343 [1,0,0,0,1,0|1,1,0]=4 91 B11R1.15 CCOC(=O)c1ccc(s1)Br B22355 [1,0,0,0,1,0|1,1,0]=4 92 B11R1.15 CCOC(=O)c1ccc(s1)Cl L06385 [1,0,0,0,1,0|1,0,0]=3 93 B11R1.15 CCOC(=O)c1cnc(s1)Br H55109 [1,0,0,0,1,0|1,1,0]=4 94 B11R1.15 CCOC(=O)c1cnc(s1)N H31769 [1,0,0,0,1,0|2,0,0]=4 95 B11R1.15 CCOC(=O)c1coc(n1)Cl H31521 [1,0,0,0,1,0|2,0,0]=4 96 B11R1.199 CCOC(=O)c1c(nco1)C H52404 [1,0,0,0,1,0|2,0,0]=4 97 B11R1.199 CCOC(=O)c1c(ncs1)C H61142 [1,0,0,0,1,0|2,0,0]=4 98 B11R1.199 CCOC(=O)c1c[nH]nc1N A10882 [1,0,0,0,1,0|2,0,0]=4 99 B11R1.199 CCOC(=O)c1ccsc1N H61559 [1,0,0,0,1,0|2,0,0]=4 100 B11R1.199 CCOC(=O)c1conc1C L16362 [1,0,0,0,1,0|2,0,0]=4 101 B11R1.225 COC(=O)c1cc(sc1Cl)Cl L08118 [1,0,0,0,1,0|1,0,0]=3 102 B13R1.20 CCOC(=O)Cc1cccc(c1)C A18497 [1,0,0,0,0,1|2,0,0]=4 103 B13R1.1511 CCOC(=O)c1cnc(cc1Cl)Cl H63092 [0,0,0,0,1,1|1,0,0]=3 104 B13R1.1511 CCOC(=O)c1cnc(nc1C)Cl H61158 [0,0,0,0,1,1|1,0,0]=3 105 B13R1.1511 CCOC(=O)c1cnc(nc1Cl)Cl H64788 [0,0,0,0,1,1|0,0,0]=2 106 B13R1.1511 CCOC(=O)c1cnc(nc1N)S L07121 [0,0,0,0,1,1|2,0,0]=4 107 B13R1.1511 CCOC(=O)c1cnc(nc1O)C H65453 [0,0,0,0,1,1|2,0,0]=4 108 B13R1.1511 CCOC(=O)c1cnc(nc1O)N L06654 [0,0,0,0,1,1|2,0,0]=4