0 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)C CSC000152756 [0,0,0,0,0,0|4,0,0]=4 1 B13R1.585 CC(=O)Nc1ccc(cc1)C(=O)N CSC000154964 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.585 CC(=O)Nc1ccc(cc1)S(=O)C CSC000064362 [0,0,0,0,0,0|4,0,0]=4 3 B13R1.585 CC(=O)Nc1ccc(cc1)[N+](=O)[O-] CSC000185774 [0,0,0,0,0,0|2,0,0]=2 4 B13R1.585 CC(=O)Oc1ccc(cc1)C(=O)N CSC000002065 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.585 CC(=O)Oc1ccc(cc1)[N+](=O)[O-] CSC000001874 [0,0,0,0,0,0|2,0,0]=2 6 B13R1.585 CC(C)Nc1ccc(cc1)[N+](=O)[O-] CSC000156089 [0,0,0,0,0,0|3,0,1]=4 7 B13R1.585 CC(C)Oc1ccc(cc1)[N+](=O)[O-] CSC000005801 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.585 NC(=O)Cc1ccc(cc1)[N+](=O)[O-] CSC015686113 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.4 CCc1ccc(cc1)CC(=O)N CSC009837247 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.4 COc1ccc(cc1)CC(=O)N CSC000162232 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.113 CCNc1ccc(cc1)[N+](=O)[O-] CSC000156571 [1,0,0,0,0,0|2,0,1]=4 12 B12R1.113 CCOc1ccc(cc1)[N+](=O)[O-] CSC000005800 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.113 CCSc1ccc(cc1)[N+](=O)[O-] CSC000053104 [1,0,0,0,0,0|2,0,1]=4 14 B14R1.124 CC(=O)Nc1ccc(cc1F)[N+](=O)[O-] CSC011594070 [0,1,0,0,0,0|2,0,0]=3 15 B14R1.414 CS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-] CSC000063303 [0,1,0,0,0,0|1,0,1]=3 16 B14R1.414 CS(=O)(=O)Nc1ccc(cc1)[N+](=O)[O-] CSC000155924 [0,1,0,0,0,0|2,0,1]=4 17 B14R1.2879 CCC(=O)Nc1ccc(cc1)[N+](=O)[O-] CSC000187311 [0,1,0,0,0,0|2,0,0]=3 18 B14R1.2879 CCC(=O)Oc1ccc(cc1)[N+](=O)[O-] CSC000001879 [0,1,0,0,0,0|2,0,0]=3 19 B14R1.2879 CNC(=O)Cc1ccc(cc1)[N+](=O)[O-] CSC000002969 [0,1,0,0,0,0|1,0,0]=2 20 B14R1.2879 COC(=O)Cc1ccc(cc1)C(=O)N CSC011006426 [0,1,0,0,0,0|2,0,0]=3 21 B14R1.2879 NNC(=O)Cc1ccc(cc1)[N+](=O)[O-] CSC000016265 [0,1,0,0,0,0|1,0,0]=2 22 B14R1.5801 CC(=O)Nc1ccc(c(c1)C)[N+](=O)[O-] CSC011216179 [0,1,0,0,0,0|2,0,0]=3 23 B14R1.5801 CC(=O)Nc1ccc(c(c1)Cl)[N+](=O)[O-] CSC011299422 [0,1,0,0,0,0|2,0,0]=3 24 B14R1.5801 CC(=O)Nc1ccc(c(n1)C)[N+](=O)[O-] CSC009881913 [0,1,0,0,0,0|3,0,0]=4 25 B14R1.6402 CN(C(=O)C)c1ccc(cc1)[N+](=O)[O-] CSC000025216 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.256 NC(=O)c1ccc(cc1)C(=O)N CSC000175741 [0,0,0,0,1,0|3,0,0]=4 27 B12R1.256 NC(=O)c1ccc(cc1)[N+](=O)[O-] CSC000162182 [0,0,0,0,1,0|1,0,0]=2 28 B12R1.389 CC(=O)Cn1cc(cn1)[N+](=O)[O-] CSC011228318 [0,0,0,0,1,0|3,0,0]=4 29 B12R1.389 OC(=O)Cn1cc(cn1)[N+](=O)[O-] CSC000736791 [0,0,0,0,1,0|2,0,0]=3 30 B12R1.389 OC(=O)Cn1cnc(c1)[N+](=O)[O-] CSC011214751 [0,0,0,0,1,0|2,0,0]=3 31 B14R1.419 CC(=O)COc1ccc(cc1)[N+](=O)[O-] CSC000150489 [0,0,0,0,0,1|1,0,0]=2 32 B14R1.419 CC(=O)NCc1ccc(cc1)[N+](=O)[O-] CSC011407412 [0,0,0,0,0,1|1,0,0]=2 33 B14R1.419 CC(=O)NNc1ccc(cc1)[N+](=O)[O-] CSC000061306 [0,0,0,0,0,1|2,0,0]=3 34 B14R1.419 CC(=O)OCc1ccc(cc1)[N+](=O)[O-] CSC000000624 [0,0,0,0,0,1|1,0,0]=2 35 B14R1.419 CC(O)CNc1ccc(cc1)[N+](=O)[O-] CSC000156790 [0,0,0,0,0,1|1,0,1]=3 36 B14R1.419 NC(=O)COc1ccc(cc1)C(=O)N CSC000148646 [0,0,0,0,0,1|3,0,0]=4 37 B14R1.419 NC(=O)CSc1ccc(cn1)[N+](=O)[O-] CSC049093075 [0,0,0,0,0,1|2,0,0]=3 38 B14R1.419 OC(=O)CNc1ccc(cc1)[N+](=O)[O-] CSC000204769 [0,0,0,0,0,1|0,0,0]=1 39 B14R1.419 OC(=O)CNc1ccc(cn1)[N+](=O)[O-] CSC011193276 [0,0,0,0,0,1|1,0,0]=2 40 B11R1.20 Cc1ccc(cc1)CC(=O)N CSC000206417 [2,0,0,0,0,0|2,0,0]=4 41 B11R1.20 NC(=O)Cc1ccc(cc1)Br CSC000162331 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.20 NC(=O)Cc1ccc(cc1)F CSC000162278 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.20 NC(=O)Cc1ccc(cc1)O CSC000020825 [2,0,0,0,0,0|1,0,1]=4 44 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] CSC000156026 [2,0,0,0,0,0|1,0,1]=4 45 B11R1.3 CSc1ccc(cc1)[N+](=O)[O-] CSC000039800 [2,0,0,0,0,0|1,0,1]=4 46 B13R1.5 CCc1ccc(cc1)CC(=O)OC CSC011203038 [1,1,0,0,0,0|2,0,0]=4 47 B13R1.5 COC(=O)Cc1ccc(cc1)C#N CSC000058082 [1,1,0,0,0,0|2,0,0]=4 48 B13R1.5 COC(=O)Cc1ccc(cc1)OC CSC000148849 [1,1,0,0,0,0|2,0,0]=4 49 B13R1.74 OCCNc1ccc(cc1)[N+](=O)[O-] CSC000156382 [1,1,0,0,0,0|0,0,1]=3 50 B13R1.74 OCCNc1ccc(cn1)[N+](=O)[O-] CSC000197309 [1,1,0,0,0,0|1,0,1]=4 51 B13R1.74 OCCSc1ccc(cn1)[N+](=O)[O-] CSC000197299 [1,1,0,0,0,0|1,0,1]=4 52 B13R1.74 [O-][N+](=O)c1ccc(cc1)NCC#C CSC000176121 [1,1,0,0,0,0|1,0,1]=4 53 B13R1.74 [O-][N+](=O)c1ccc(cc1)OCC#N CSC000150488 [1,1,0,0,0,0|1,0,1]=4 54 B13R1.74 [O-][N+](=O)c1ccc(cc1)OCC=C CSC000006394 [1,1,0,0,0,0|1,0,0]=3 55 B13R1.120 Cc1cc(ccc1[N+](=O)[O-])C(=O)N CSC000162279 [0,1,0,0,1,0|1,0,0]=3 56 B13R1.120 NC(=O)c1ccc(c(c1)Cl)[N+](=O)[O-] CSC012348005 [0,1,0,0,1,0|1,0,0]=3 57 B13R1.120 NC(=O)c1ccc(c(c1)O)[N+](=O)[O-] CSC012185228 [0,1,0,0,1,0|1,0,0]=3 58 B13R1.120 NC(=O)c1ccc(cc1Br)[N+](=O)[O-] CSC009831752 [0,1,0,0,1,0|1,0,0]=3 59 B13R1.120 NC(=O)c1ccc(cc1Cl)[N+](=O)[O-] CSC000188661 [0,1,0,0,1,0|1,0,0]=3 60 B13R1.120 NC(=O)c1ccc(cc1F)[N+](=O)[O-] CSC000699458 [0,1,0,0,1,0|1,0,0]=3 61 B13R1.1706 COC(=O)Cn1ccc(n1)[N+](=O)[O-] CSC011426566 [0,1,0,0,1,0|2,0,0]=4 62 B13R1.1706 COC(=O)Cn1cnc(c1)[N+](=O)[O-] CSC011201487 [0,1,0,0,1,0|2,0,0]=4 63 B13R1.3764 OC(=O)Cn1cc(c(n1)[N+](=O)[O-])Br CSC011203613 [0,1,0,0,1,0|2,0,0]=4 64 B15R1.495 CC(Nc1ccc(cn1)[N+](=O)[O-])C(=O)O CSC011300969 [0,1,0,0,0,1|1,0,0]=3 65 B15R1.495 CC(Nc1ccc(cn1)[N+](=O)[O-])C(=O)O CSC011300969 [0,1,0,0,0,1|1,0,0]=3 66 B15R1.495 CC(Nc1ccc(nc1)[N+](=O)[O-])C(=O)O CSC011300958 [0,1,0,0,0,1|1,0,0]=3 67 B15R1.495 C[C@@H](Nc1ccc(cc1)[N+](=O)[O-])C(=O)O CSC010138763 [0,1,0,0,0,1|0,0,0]=2 68 B15R1.495 C[C@@H](Nc1ccc(cn1)[N+](=O)[O-])C(=O)O CSC016625458 [0,1,0,0,0,1|1,0,0]=3 69 B15R1.495 C[C@@H](Nc1ccc(nc1)[N+](=O)[O-])C(=O)O CSC056754348 [0,1,0,0,0,1|1,0,0]=3 70 B15R1.495 C[C@H](Nc1ccc(cn1)[N+](=O)[O-])C(=O)O CSC016631355 [0,1,0,0,0,1|1,0,0]=3 71 B15R1.495 C[C@H](Nc1ccc(nc1)[N+](=O)[O-])C(=O)O CSC057777482 [0,1,0,0,0,1|1,0,0]=3 72 B15R1.956 CNC(=O)COc1ccc(cc1)[N+](=O)[O-] CSC000150482 [0,1,0,0,0,1|1,0,0]=3 73 B15R1.956 COC(=O)COc1ccc(cc1)C(=O)N CSC000193707 [0,1,0,0,0,1|2,0,0]=4 74 B15R1.956 COC(=O)COc1ccc(cc1)[N+](=O)[O-] CSC000148314 [0,1,0,0,0,1|0,0,0]=2 75 B15R1.956 COC(=O)CSc1ccc(cc1)[N+](=O)[O-] CSC000148072 [0,1,0,0,0,1|0,0,0]=2 76 B15R1.956 COC(=O)CSc1ccc(cn1)[N+](=O)[O-] CSC000017373 [0,1,0,0,0,1|1,0,0]=3 77 B15R1.956 NNC(=O)COc1ccc(cc1)[N+](=O)[O-] CSC000188995 [0,1,0,0,0,1|1,0,0]=3 78 B15R1.5380 CC(O)CNc1ccc(c(c1)C)[N+](=O)[O-] CSC011304193 [0,1,0,0,0,1|1,0,1]=4 79 B15R1.5380 Cc1cc(ncc1[N+](=O)[O-])NCC(=O)O CSC012520373 [0,1,0,0,0,1|1,0,0]=3 80 B15R1.5380 Cc1nc(ccc1[N+](=O)[O-])NCC(=O)O CSC012944104 [0,1,0,0,0,1|1,0,0]=3 81 B15R1.5504 CN(CC(=O)O)c1ccc(cn1)[N+](=O)[O-] CSC011203335 [0,1,0,0,0,1|1,0,0]=3 82 B15R1.5504 CN(CC(=O)O)c1ccc(nc1)[N+](=O)[O-] CSC011229501 [0,1,0,0,0,1|1,0,0]=3 83 B15R1.8014 CC(O)CNc1ccc(cc1C)[N+](=O)[O-] CSC011304195 [0,1,0,0,0,1|1,0,1]=4 84 B15R1.8014 CC(O)CNc1ccc(cc1Cl)[N+](=O)[O-] CSC000156791 [0,1,0,0,0,1|1,0,1]=4 85 B15R1.8014 Cc1cc(cnc1NCC(=O)O)[N+](=O)[O-] CSC011684130 [0,1,0,0,0,1|1,0,0]=3 86 B15R1.8014 NC(=O)COc1ccc(cc1Cl)[N+](=O)[O-] CSC000150809 [0,1,0,0,0,1|1,0,0]=3 87 B15R1.8014 OC(=O)COc1ccc(cc1Cl)[N+](=O)[O-] CSC000191379 [0,1,0,0,0,1|0,0,0]=2 88 B15R1.8946 CC(C)(O)CNc1ccc(cc1)[N+](=O)[O-] CSC011951665 [0,1,0,0,0,1|1,0,1]=4 89 B15R1.2997 CCC(=O)Nc1ccc(cc1)CC(=O)O CSC000244213 [0,1,0,0,0,1|2,0,0]=4 90 B15R1.2997 CCC(=O)Nc1ccc(cc1)CC(=O)O CSC000244213 [0,1,0,0,0,1|2,0,0]=4 91 B15R1.12250 CC(C(=O)O)c1ccc(cc1)NC(=O)C CSC010002063 [0,1,0,0,0,1|2,0,0]=4 92 B15R1.37 COc1cc(ccc1OC(=O)C)[N+](=O)[O-] CSC000058724 [0,2,0,0,0,0|2,0,0]=4 93 B15R1.2999 CNC(=O)Nc1ccc(cc1C)[N+](=O)[O-] CSC011257054 [0,2,0,0,0,0|2,0,0]=4 94 B15R1.2999 CNC(=O)Nc1ccc(cc1Cl)[N+](=O)[O-] CSC011287930 [0,2,0,0,0,0|2,0,0]=4 95 B15R1.28960 CC(=O)Nc1c(cc(cc1C)[N+](=O)[O-])C CSC010006694 [0,2,0,0,0,0|2,0,0]=4 96 B15R1.7698 CNS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-] CSC011241980 [0,2,0,0,0,0|1,0,1]=4 97 B15R1.2994 COC(=O)Cc1ccc(cc1)C(=O)OC CSC010185683 [0,2,0,0,0,0|1,0,1]=4 98 B15R1.1262 CCCC(=O)Nc1ccc(cc1)[N+](=O)[O-] CSC000187322 [0,2,0,0,0,0|2,0,0]=4 99 B15R1.1262 CCNC(=O)Nc1ccc(cc1)[N+](=O)[O-] CSC000163345 [0,2,0,0,0,0|2,0,0]=4 100 B15R1.1262 CN(CCO)Cc1ccc(cc1)[N+](=O)[O-] CSC000224338 [0,2,0,0,0,0|2,0,0]=4 101 B15R1.1262 COCC(=O)Nc1ccc(cc1)[N+](=O)[O-] CSC011205793 [0,2,0,0,0,0|1,0,0]=3 102 B15R2.927 Cn1c2cc(ccc2oc1=O)[N+](=O)[O-] CSC000053951 [0,1,0,1,0,0|2,0,0]=4 103 B11R1.175 NC(=O)c1ccc(o1)[N+](=O)[O-] CSC000162155 [0,0,0,0,2,0|2,0,0]=4 104 B11R1.175 NC(=O)c1ccc(s1)[N+](=O)[O-] CSC000162129 [0,0,0,0,2,0|2,0,0]=4 105 B13R1.587 CC(=O)Nc1cccc(c1)[N+](=O)[O-] CSC000158500 [0,0,0,0,1,1|2,0,0]=4 106 B13R1.587 CC(=O)Oc1cccc(c1)[N+](=O)[O-] CSC000002267 [0,0,0,0,1,1|2,0,0]=4 107 B15R1.499 CC(=O)Nc1ccc(cc1)CCC(=O)O CSC011225046 [0,0,0,0,0,2|2,0,0]=4 108 B15R1.499 CC(=O)Nc1ccc(cc1)CCC(=O)O CSC011225046 [0,0,0,0,0,2|2,0,0]=4 109 B15R1.499 CC(=O)Nc1ccc(cc1)OCC(=O)O CSC011194236 [0,0,0,0,0,2|2,0,0]=4 110 B15R1.1080 CC(=O)NCCc1ccc(cc1)[N+](=O)[O-] CSC011218092 [0,0,0,0,0,2|1,0,0]=3 111 B15R1.1080 CC(=O)NN=Cc1ccc(cc1)[N+](=O)[O-] CSC035156180 [0,0,0,0,0,2|1,0,1]=4 112 B15R1.1080 NC(=O)NCCc1ccc(cc1)[N+](=O)[O-] CSC046268913 [0,0,0,0,0,2|1,0,0]=3 113 B15R1.1080 OC(=O)CCNc1ccc(cc1)[N+](=O)[O-] CSC000190912 [0,0,0,0,0,2|0,0,0]=2 114 B15R1.1080 OC(=O)CCNc1ccc(cn1)[N+](=O)[O-] CSC011193269 [0,0,0,0,0,2|1,0,0]=3 115 B15R1.1080 OC(=O)CCNc1ccc(nc1)[N+](=O)[O-] CSC000190911 [0,0,0,0,0,2|1,0,0]=3 116 B15R1.1080 OC(=O)CCSc1ccc(cc1)[N+](=O)[O-] CSC000190906 [0,0,0,0,0,2|0,0,0]=2