0 B13R1.547 CNC(=O)c1ccccc1[N+](=O)[O-] CSC000192140 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.547 COC(=O)c1ccccc1C(=O)C CSC010269922 [0,0,0,0,0,0|2,0,0]=2 2 B13R1.547 COC(=O)c1ccccc1[N+](=O)[O-] CSC000149990 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.77 CNC(=O)c1ccccc1OC CSC000159813 [1,0,0,0,0,0|2,0,0]=3 4 B12R1.77 CNC(=O)c1ccccc1SC CSC000159722 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.77 CNc1ccccc1C(=O)NN CSC000019922 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.77 COC(=O)c1ccccc1OC CSC000150339 [1,0,0,0,0,0|1,0,0]=2 7 B12R1.77 COC(=O)c1ccccc1SC CSC000151494 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.77 COC(=O)c1cccnc1OC CSC011203184 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.77 COC(=O)c1cccnc1SC CSC000149765 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.77 COC(=O)c1ncccc1OC CSC011997691 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.77 COc1ccccc1C(=O)NN CSC000189102 [1,0,0,0,0,0|3,0,0]=4 12 B14R1.623 CCNC(=O)c1cccnc1N(C)C CSC047780355 [0,1,0,0,0,0|2,0,0]=3 13 B14R1.623 CCOC(=O)c1ccccc1C(=O)C CSC000042901 [0,1,0,0,0,0|2,0,0]=3 14 B14R1.623 CCOC(=O)c1ccccc1[N+](=O)[O-] CSC000169800 [0,1,0,0,0,0|2,0,1]=4 15 B14R1.707 COC(=O)c1cc(ccc1[N+](=O)[O-])C CSC011996004 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.707 COC(=O)c1cc(cnc1N(C)C)Br CSC009817323 [0,1,0,0,0,0|1,0,0]=2 17 B14R1.745 COC(=O)c1ccccc1C(F)(F)F CSC000150766 [0,1,0,0,0,0|3,0,0]=4 18 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])Br CSC012359390 [0,1,0,0,0,0|2,0,1]=4 19 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])Cl CSC000150773 [0,1,0,0,0,0|2,0,1]=4 20 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])F CSC000731495 [0,1,0,0,0,0|2,0,1]=4 21 B14R1.1153 COC(=O)c1cccc(c1[N+](=O)[O-])C CSC000148193 [0,1,0,0,0,0|2,0,1]=4 22 B14R1.1153 COC(=O)c1cccc(c1[N+](=O)[O-])Cl CSC000698587 [0,1,0,0,0,0|2,0,1]=4 23 B14R1.1164 COC(=O)c1c(cccc1[N+](=O)[O-])C CSC000240953 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.1164 COC(=O)c1c(cccc1[N+](=O)[O-])N CSC000078545 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.368 COC(=O)c1cccn1C(C)C CSC012706164 [0,0,0,0,1,0|2,0,0]=3 26 B12R1.368 COC(=O)c1ccnn1C(C)C CSC011999184 [0,0,0,0,1,0|3,0,0]=4 27 B14R1.744 CC(C)Oc1ccccc1C(=O)NN CSC010704116 [0,0,0,0,0,1|3,0,0]=4 28 B14R1.744 CCC(=O)c1ccccc1NC(=O)C CSC009861000 [0,0,0,0,0,1|3,0,0]=4 29 B14R1.744 CNC(=O)c1ccccc1SC(C)C CSC000002306 [0,0,0,0,0,1|2,0,0]=3 30 B14R1.744 COC(=O)c1ccccc1OC(=O)C CSC000001831 [0,0,0,0,0,1|2,0,0]=3 31 B14R1.744 COC(=O)c1ccccc1OC(F)F CSC000151594 [0,0,0,0,0,1|3,0,0]=4 32 B14R1.744 COC(=O)c1cccnc1NC(C)C CSC011203143 [0,0,0,0,0,1|2,0,0]=3 33 B14R1.3302 CC(C)c1ccccc1NC(=O)CN CSC000168432 [0,0,0,0,0,1|3,0,0]=4 34 B14R1.3302 CCC(=O)Nc1ccccc1C(C)C CSC000155376 [0,0,0,0,0,1|2,0,0]=3 35 B14R1.3302 COC(=O)Cc1ccccc1[N+](=O)[O-] CSC000171414 [0,0,0,0,0,1|2,0,1]=4 36 B14R1.3302 COC(=O)Nc1ccccc1C(=O)N CSC000216172 [0,0,0,0,0,1|3,0,0]=4 37 B11R1.53 COc1ccccc1C(=O)N CSC000162176 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.53 CSc1ccccc1C(=O)N CSC000162018 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.222 CNC(=O)c1ccccc1Br CSC000155073 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.222 CNC(=O)c1ccccc1C CSC000159864 [2,0,0,0,0,0|1,0,0]=3 41 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [2,0,0,0,0,0|2,0,0]=4 42 B11R1.222 CNC(=O)c1ccccc1Cl CSC000159797 [2,0,0,0,0,0|2,0,0]=4 43 B11R1.222 CNC(=O)c1ccccc1I CSC000155083 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.222 CNC(=O)c1ccccc1O CSC000185920 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.222 CNC(=O)c1cccnc1C CSC011922290 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.222 COC(=O)c1ccccc1Cl CSC000150121 [2,0,0,0,0,0|1,0,0]=3 47 B11R1.222 COC(=O)c1ccccc1I CSC000148710 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.222 COC(=O)c1cccnc1C CSC011216498 [2,0,0,0,0,0|1,0,0]=3 49 B11R1.222 COC(=O)c1cccnc1F CSC011934352 [2,0,0,0,0,0|2,0,0]=4 50 B11R1.222 COC(=O)c1ccncc1Br CSC010008606 [2,0,0,0,0,0|2,0,0]=4 51 B11R1.222 COC(=O)c1ccncc1C CSC011934321 [2,0,0,0,0,0|1,0,0]=3 52 B11R1.222 COC(=O)c1ccncc1Cl CSC000699585 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.222 COC(=O)c1ccncc1F CSC000702545 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.222 COC(=O)c1cnccc1C CSC011999757 [2,0,0,0,0,0|1,0,0]=3 55 B11R1.222 COC(=O)c1cnccc1Cl CSC012001583 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.222 COC(=O)c1ncccc1Br CSC011935214 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.222 COC(=O)c1ncccc1Cl CSC000093117 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.222 COC(=O)c1ncccc1F CSC000084157 [2,0,0,0,0,0|2,0,0]=4 59 B11R1.222 COC(=O)c1nccnc1C CSC000090199 [2,0,0,0,0,0|2,0,0]=4 60 B13R1.89 CNc1ccccc1C(=O)N(C)C CSC000187763 [1,1,0,0,0,0|1,0,0]=3 61 B13R1.89 COc1ccccc1C(=O)N(C)C CSC000159541 [1,1,0,0,0,0|2,0,0]=4 62 B13R1.89 CSc1ccccc1C(=O)N(C)C CSC000159456 [1,1,0,0,0,0|2,0,0]=4 63 B13R1.382 CCOc1ccccc1C(=O)OC CSC000148976 [1,1,0,0,0,0|1,0,0]=3 64 B13R1.382 CCSc1ccccc1C(=O)NC CSC000019822 [1,1,0,0,0,0|2,0,0]=4 65 B13R1.382 COC(=O)c1ccccc1CC#N CSC000151593 [1,1,0,0,0,0|1,0,1]=4 66 B13R1.464 CCNC(=O)c1ccccc1OC CSC000160101 [1,1,0,0,0,0|2,0,0]=4 67 B13R1.464 CCNC(=O)c1ccccc1SC CSC000160036 [1,1,0,0,0,0|2,0,0]=4 68 B13R1.464 CCOC(=O)c1ccccc1OC CSC000169928 [1,1,0,0,0,0|1,0,0]=3 69 B13R1.2065 CNC(=O)c1ccc(cc1OC)Br CSC011640162 [1,1,0,0,0,0|2,0,0]=4 70 B13R1.2065 COC(=O)c1ccc(cc1OC)Br CSC000708095 [1,1,0,0,0,0|1,0,0]=3 71 B13R1.2065 COC(=O)c1ccc(cc1OC)C CSC000086699 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.2065 COC(=O)c1ccc(cc1OC)Cl CSC011213362 [1,1,0,0,0,0|1,0,0]=3 73 B13R1.2209 CCC(=O)c1cc(ccc1OC)Cl CSC000757941 [1,1,0,0,0,0|2,0,0]=4 74 B13R1.2209 CNC(=O)c1cc(ccc1OC)Cl CSC000159922 [1,1,0,0,0,0|2,0,0]=4 75 B13R1.2209 COC(=O)c1cc(ccc1OC)Br CSC011203041 [1,1,0,0,0,0|1,0,0]=3 76 B13R1.2357 COC(=O)c1c(cccc1OC)F CSC011216801 [1,1,0,0,0,0|1,0,0]=3 77 B13R1.589 CN(C)c1ccccc1NC(=O)C CSC011242852 [1,1,0,0,0,0|2,0,0]=4 78 B15R1.810 CCNC(=O)c1ccccc1SC(C)C CSC046405794 [0,1,0,0,0,1|2,0,0]=4 79 B15R1.925 COC(=O)c1cc(ccc1NC(=O)C)Br CSC009811626 [0,1,0,0,0,1|2,0,0]=4 80 B15R1.925 COC(=O)c1cc(ccc1NC(=O)C)Cl CSC000216480 [0,1,0,0,0,1|2,0,0]=4 81 B15R1.1086 CC(C)Sc1ccccc1C(=O)N(C)C CSC048851021 [0,1,0,0,0,1|2,0,0]=4 82 B15R1.3847 CCC(=O)Nc1ccccc1C(=O)OC CSC000152667 [0,1,0,0,0,1|2,0,0]=4 83 B15R1.3847 CCC(=O)Oc1ccccc1C(=O)OC CSC034343655 [0,1,0,0,0,1|2,0,0]=4 84 B15R1.3847 COC(=O)Cc1ccccc1C(=O)OC CSC000070244 [0,1,0,0,0,1|2,0,0]=4 85 B15R1.11372 COC(=O)c1ccccc1CS(=O)(=O)C CSC013138136 [0,1,0,0,0,1|2,0,0]=4 86 B15R1.11372 COC(=O)c1ccccc1NS(=O)(=O)C CSC000165574 [0,1,0,0,0,1|2,0,0]=4 87 B15R1.11677 COC(=O)c1ccc(cc1NC(=O)C)Cl CSC000154637 [0,1,0,0,0,1|2,0,0]=4 88 B15R1.38499 COC(=O)c1cccc(c1NC(=O)C)C CSC000030605 [0,1,0,0,0,1|2,0,0]=4 89 B15R1.1274 CC(C)c1ccccc1NC(=O)CCN CSC011202977 [0,1,0,0,0,1|2,0,0]=4 90 B15R1.1274 CC(C)c1ccccc1NC(=O)CCN CSC011202977 [0,1,0,0,0,1|2,0,0]=4 91 B15R1.1274 CCCC(=O)Nc1ccccc1C(C)C CSC000155375 [0,1,0,0,0,1|2,0,0]=4 92 B15R1.1274 CN(C)c1ccccc1NC(=O)CCN CSC011336510 [0,1,0,0,0,1|1,0,0]=3 93 B15R1.1274 CNCC(=O)Nc1ccccc1C(C)C CSC000168093 [0,1,0,0,0,1|2,0,0]=4 94 B15R1.1274 CNCC(=O)Nc1ccccc1N(C)C CSC011336512 [0,1,0,0,0,1|1,0,0]=3 95 B15R1.1274 COCC(=O)Nc1ccccc1C(C)C CSC000186608 [0,1,0,0,0,1|1,0,0]=3 96 B15R1.1274 COCC(=O)Nc1ccccc1N(C)C CSC011252477 [0,1,0,0,0,1|0,0,0]=2 97 B15R1.1274 COCC(=O)Nc1cccnc1N(C)C CSC011263743 [0,1,0,0,0,1|1,0,0]=3 98 B15R1.1274 COCC(=O)Nc1cncnc1N(C)C CSC060940657 [0,1,0,0,0,1|2,0,0]=4 99 B15R1.3825 CN(C)c1ccc(cc1NC(=O)CN)Cl CSC000168364 [0,1,0,0,0,1|2,0,0]=4 100 B15R1.3846 CCC(=O)Nc1ccccc1C(C)(C)C CSC000151895 [0,1,0,0,0,1|2,0,0]=4 101 B15R1.8875 CC(C)C(=O)Nc1ccccc1C(C)C CSC000155374 [0,1,0,0,0,1|2,0,0]=4 102 B15R1.8875 CC(C)C(=O)Nc1cccnc1N(C)C CSC011263746 [0,1,0,0,0,1|2,0,0]=4 103 B15R1.8875 CC(C)c1ccccc1NC(=O)C(C)N CSC000218325 [0,1,0,0,0,1|2,0,0]=4 104 B15R1.8875 CC(C)c1ccccc1NC(=O)[C@@H](C)N CSC011505318 [0,1,0,0,0,1|2,0,0]=4 105 B15R1.8875 CC(C)c1ccccc1NC(=O)[C@H](C)N CSC011422181 [0,1,0,0,0,1|2,0,0]=4 106 B15R1.8875 CC(N)C(=O)Nc1ccccc1N(C)C CSC011336511 [0,1,0,0,0,1|1,0,0]=3 107 B15R1.8875 C[C@@H](N)C(=O)Nc1ccccc1N(C)C CSC011505679 [0,1,0,0,0,1|1,0,0]=3 108 B15R1.8875 C[C@H](N)C(=O)Nc1ccccc1N(C)C CSC011422539 [0,1,0,0,0,1|1,0,0]=3 109 B15R1.13377 CN(C)c1c(cccc1NC(=O)CN)Cl CSC011335560 [0,1,0,0,0,1|2,0,0]=4 110 B15R1.40363 CCC(=O)Nc1c(cccc1C(C)C)C CSC000151887 [0,1,0,0,0,1|2,0,0]=4 111 B15R1.1239 CN(C)c1ncccc1C(=O)NCC#N CSC061658683 [0,2,0,0,0,0|2,0,0]=4 112 B15R1.1239 CN(C)c1ncccc1C(=O)NCCO CSC061803590 [0,2,0,0,0,0|2,0,0]=4 113 B15R1.5509 CC(C)NC(=O)c1cccnc1N(C)C CSC046249497 [0,2,0,0,0,0|2,0,0]=4 114 B13R2.371 Cn1ccc(=O)c2c1cccc2 CSC000060576 [1,0,0,1,0,0|1,0,1]=4 115 B13R2.582 COc1cccc2c1C(=O)CC2 CSC000068676 [1,0,0,1,0,0|2,0,0]=4 116 B15R2.23388 COC(=O)C1CC(=O)c2c1cccc2 CSC000078521 [0,0,0,1,0,1|2,0,0]=4 117 B15R2.23388 COC(=O)c1cn(c2c1cccc2)C CSC000198953 [0,0,0,1,0,1|0,0,1]=3 118 B15R2.23388 COC(=O)c1nn(c2c1cccc2)C CSC000700890 [0,0,0,1,0,1|1,0,0]=3 119 B11R1.59 COC(=O)c1sccc1OC CSC011218578 [1,0,0,0,1,0|2,0,0]=4 120 B13R1.91 CCC(=O)Nc1ccccc1CC CSC000154702 [1,0,0,0,0,1|2,0,0]=4 121 B13R1.91 CCC(=O)Nc1ccccc1OC CSC000153685 [1,0,0,0,0,1|2,0,0]=4 122 B13R1.91 CCC(=O)Nc1ccccc1SC CSC000151977 [1,0,0,0,0,1|2,0,0]=4 123 B13R1.91 CCc1ccccc1NC(=O)NC CSC011237242 [1,0,0,0,0,1|2,0,0]=4 124 B13R1.91 COC(=O)Cc1ccccc1OC CSC000171725 [1,0,0,0,0,1|1,0,0]=3 125 B13R1.91 COC(=O)Nc1ccccc1OC CSC011256747 [1,0,0,0,0,1|1,0,0]=3 126 B13R1.543 COC(=O)c1cccc(c1)C(=O)C CSC000092496 [0,0,0,0,1,1|2,0,0]=4 127 B13R1.543 COC(=O)c1cccc(c1)N(C)C CSC000148937 [0,0,0,0,1,1|0,0,0]=2 128 B15R1.985 CNC(=O)c1ccccc1NCC(C)C CSC016625986 [0,0,0,0,0,2|2,0,0]=4 129 B15R1.3845 CCC(=O)Nc1ccccc1OC(C)C CSC011280879 [0,0,0,0,0,2|2,0,0]=4 130 B15R1.3845 COC(=O)Cc1ccccc1NC(=O)C CSC010160855 [0,0,0,0,0,2|2,0,0]=4