0 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.2 C1=C(CCC1)c2ccccn2 271570a_100000089523_100011216584 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.2 C1=C(CCC1)c2cccnc2 271570a_100000089523_100000752921 [0,0,0,0,0,0|1,0,1]=2 3 B12R2.2 C1=C(CCC1)c2cccnn2 271570a_100000089523_100016991348 [0,0,0,0,0,0|2,0,1]=3 4 B12R2.2 C1=C(CCC1)c2ccncc2 271570a_100000089523_100000035832 [0,0,0,0,0,0|3,0,1]=4 5 B12R2.2 C1=C(CCC1)c2ccnnc2 271570a_100000089523_100000732662 [0,0,0,0,0,0|2,0,1]=3 6 B12R2.2 C1=C(CCC1)c2cnccn2 271570a_100000089523_100000758340 [0,0,0,0,0,0|2,0,1]=3 7 B12R2.2 C1=C(CCC1)c2cncnc2 271570a_100000089523_100011206942 [0,0,0,0,0,0|2,0,1]=3 8 B12R2.2 C1=C(CCC1)c2cnnnc2 271570a_100000089523_100009846058 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.2 C1=C(CCO1)c2ccccc2 271570a_100000118173_100000210277 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.2 C1=C(CCO1)c2cccnc2 271570a_100000118173_100000752921 [0,0,0,0,0,0|2,0,1]=3 11 B12R2.2 C1=C(CCO1)c2cccnn2 271570a_100000118173_100016991348 [0,0,0,0,0,0|3,0,1]=4 12 B12R2.2 C1=C(CCO1)c2ccnnc2 271570a_100000118173_100000732662 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.2 C1=C(CCO1)c2cnccn2 271570a_100000118173_100000758340 [0,0,0,0,0,0|3,0,1]=4 14 B12R2.2 C1=C(CCO1)c2cncnc2 271570a_100000118173_100011206942 [0,0,0,0,0,0|3,0,1]=4 15 B12R2.2 C1=C(COC1)c2ccccc2 271570a_100009872500_100000210277 [0,0,0,0,0,0|3,0,1]=4 16 B12R2.2 C1=C(COC1)c2cccnc2 271570a_100009872500_100000752921 [0,0,0,0,0,0|2,0,1]=3 17 B12R2.2 C1=C(COC1)c2cccnn2 271570a_100009872500_100016991348 [0,0,0,0,0,0|3,0,1]=4 18 B12R2.2 C1=C(COC1)c2ccnnc2 271570a_100009872500_100000732662 [0,0,0,0,0,0|3,0,1]=4 19 B12R2.2 C1=C(COC1)c2cnccn2 271570a_100009872500_100000758340 [0,0,0,0,0,0|3,0,1]=4 20 B12R2.2 C1=C(COC1)c2cncnc2 271570a_100009872500_100011206942 [0,0,0,0,0,0|3,0,1]=4 21 B12R2.2 c1cnc(cn1)N2CCCC2 27a_100000188435_100000211759 [0,0,0,0,0,0|3,0,0]=3 22 B12R2.2 c1cnc(cn1)N2CCSC2 27a_100011215254_100000211759 [0,0,0,0,0,0|4,0,0]=4 23 B12R2.2 c1cncc(c1)c2ncc[nH]2 271570a_100000757648_100025796157 [0,0,0,0,0,0|1,0,3]=4 24 B12R2.2 c1cncc(c1)c2ncc[nH]2 271570a_100016988920_100000752921 [0,0,0,0,0,0|1,0,3]=4 25 B12R2.2 c1cnnc(c1)N2CCCC2 27a_100000188435_100016991348 [0,0,0,0,0,0|3,0,0]=3 26 B12R2.2 c1cnnc(c1)N2CCSC2 27a_100011215254_100016991348 [0,0,0,0,0,0|4,0,0]=4 27 B13R2.10 CN1CCC(C1)c2ccccc2 2230a_100000747531_200000210301 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.10 CN1CCC(C1)c2ccccc2 269982a_100000747531_200000210301 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.10 CN1CCC(C1)c2ccccc2 34a_100000747531_200000210301 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.10 CN1CCC(C1)c2cccnc2 2230a_200015204282_200000210301 [0,1,0,0,0,0|2,0,0]=3 31 B13R2.10 CN1CCC(C1)c2cccnc2 269982a_200015204282_200000210301 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.10 CN1CCC(C1)c2cncnc2 2230a_100025749470_200000210301 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.10 CN1CCC(C1)c2cncnc2 269982a_100025749470_200000210301 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.10 C[C@@H]1CCN(C1)c2cccnn2 27a_100016987628_100016991348 [0,1,0,0,0,0|3,0,0]=4 35 B13R2.10 C[C@@H]1CCN(C1)c2cnccn2 27a_100016987628_100000211759 [0,1,0,0,0,0|3,0,0]=4 36 B13R2.10 F[C@H]1CCN(C1)c2cccnn2 27a_100015203821_100016991348 [0,1,0,0,0,0|3,0,0]=4 37 B13R2.10 F[C@H]1CCN(C1)c2cnccn2 27a_100015203821_100000211759 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.10 O=C1C=C(CC1)c2cccnc2 271570a_100010737933_100000752921 [0,1,0,0,0,0|1,0,2]=4 39 B13R2.10 OC1CCN(C1)c2cccnn2 27a_100011215560_100016991348 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.10 OC1CCN(C1)c2cnccn2 27a_100011215560_100000211759 [0,1,0,0,0,0|3,0,0]=4 41 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 2230a_100000747531_200025704644 [0,1,0,0,0,0|3,0,0]=4 42 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 269982a_100000747531_200025704644 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.10 [13CH3]N1CCC(C1)c2ccccc2 34a_100000747531_200025704644 [0,1,0,0,0,0|3,0,0]=4 44 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 2230a_200015204282_200025704644 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.10 [13CH3]N1CCC(C1)c2cccnc2 269982a_200015204282_200025704644 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.10 [13CH3]N1CCC(C1)c2cncnc2 2230a_100025749470_200025704644 [0,1,0,0,0,0|3,0,0]=4 47 B13R2.10 [13CH3]N1CCC(C1)c2cncnc2 269982a_100025749470_200025704644 [0,1,0,0,0,0|3,0,0]=4 48 B13R2.12 Brc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000752885 [0,1,0,0,0,0|2,0,1]=4 49 B13R2.12 Brc1ccc(cn1)C2=CCCC2 271570a_100000089523_100009814638 [0,1,0,0,0,0|1,0,1]=3 50 B13R2.12 Brc1ccc(cn1)C2=CCOC2 271570a_100009872500_100009814638 [0,1,0,0,0,0|2,0,1]=4 51 B13R2.12 Brc1ccc(cn1)C2=COCC2 271570a_100000118173_100009814638 [0,1,0,0,0,0|2,0,1]=4 52 B13R2.12 Brc1cnc(cn1)N2CCCC2 27a_100000188435_100010187541 [0,1,0,0,0,0|3,0,0]=4 53 B13R2.12 Brc1ncc(cn1)C2=CCCC2 271570a_100000089523_200012349914 [0,1,0,0,0,0|2,0,1]=4 54 B13R2.12 Cc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000186775 [0,1,0,0,0,0|2,0,1]=4 55 B13R2.12 Cc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000751577 [0,1,0,0,0,0|1,0,1]=3 56 B13R2.12 Cc1ccc(cn1)C2=CCOC2 271570a_100009872500_100000751577 [0,1,0,0,0,0|2,0,1]=4 57 B13R2.12 Cc1ccc(cn1)C2=COCC2 271570a_100000118173_100000751577 [0,1,0,0,0,0|2,0,1]=4 58 B13R2.12 Cc1ccc(nn1)C2=CCCC2 271570a_100000089523_100011450037 [0,1,0,0,0,0|2,0,1]=4 59 B13R2.12 Cc1ccc(nn1)N2CCCC2 27a_100000188435_100000744512 [0,1,0,0,0,0|3,0,0]=4 60 B13R2.12 Cc1cnc(cn1)C2=CCCC2 271570a_100000089523_100011999403 [0,1,0,0,0,0|2,0,1]=4 61 B13R2.12 Cc1cnc(cn1)N2CCCC2 27a_100000188435_100000074397 [0,1,0,0,0,0|3,0,0]=4 62 B13R2.12 Cc1ncc(cn1)C2=CCCC2 271570a_100000089523_100000686985 [0,1,0,0,0,0|2,0,1]=4 63 B13R2.12 Clc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000755918 [0,1,0,0,0,0|2,0,1]=4 64 B13R2.12 Clc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000034144 [0,1,0,0,0,0|1,0,1]=3 65 B13R2.12 Clc1ccc(cn1)C2=CCOC2 271570a_100009872500_100000034144 [0,1,0,0,0,0|2,0,1]=4 66 B13R2.12 Clc1ccc(cn1)C2=COCC2 271570a_100000118173_100000034144 [0,1,0,0,0,0|2,0,1]=4 67 B13R2.12 Fc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000211213 [0,1,0,0,0,0|2,0,1]=4 68 B13R2.12 Fc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000748661 [0,1,0,0,0,0|1,0,1]=3 69 B13R2.12 Fc1ccc(cn1)C2=CCOC2 271570a_100009872500_100000748661 [0,1,0,0,0,0|2,0,1]=4 70 B13R2.12 Fc1ccc(cn1)C2=COCC2 271570a_100000118173_100000748661 [0,1,0,0,0,0|2,0,1]=4 71 B13R2.12 Fc1cnc(cn1)C2=CCCC2 271570a_100000089523_100009856528 [0,1,0,0,0,0|2,0,1]=4 72 B13R2.12 Fc1cnc(cn1)N2CCCC2 27a_100000188435_100009856528 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.12 Fc1ncc(cn1)C2=CCCC2 271570a_100000089523_100000685262 [0,1,0,0,0,0|2,0,1]=4 74 B13R2.12 Nc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000185761 [0,1,0,0,0,0|2,0,1]=4 75 B13R2.12 Nc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000187370 [0,1,0,0,0,0|1,0,1]=3 76 B13R2.12 Nc1ccc(cn1)C2=CCOC2 271570a_100009872500_100000187370 [0,1,0,0,0,0|2,0,1]=4 77 B13R2.12 Nc1ccc(cn1)C2=COCC2 271570a_100000118173_100000187370 [0,1,0,0,0,0|2,0,1]=4 78 B13R2.12 Nc1ccc(nn1)C2=CCCC2 271570a_100000089523_100009816609 [0,1,0,0,0,0|2,0,1]=4 79 B13R2.12 Nc1cnc(cn1)C2=CCCC2 271570a_100000089523_100000761932 [0,1,0,0,0,0|2,0,1]=4 80 B13R2.12 Nc1ncc(cn1)C2=CCCC2 271570a_100000089523_100000760574 [0,1,0,0,0,0|2,0,1]=4 81 B13R2.12 O=c1ccc(c[nH]1)C2=CCCC2 271570a_100000089523_100000212171 [0,1,0,0,0,0|1,0,2]=4 82 B13R2.12 O=c1ncc(c[nH]1)C2=CCCC2 271570a_100000089523_102495366499 [0,1,0,0,0,0|2,0,1]=4 83 B13R2.12 Oc1ccc(cc1)C2=CCCC2 271570a_100000089523_100000185759 [0,1,0,0,0,0|2,0,1]=4 84 B13R2.12 Oc1ccc(cc1)C2=CCCC2 271570a_203496583355_200010223205 [0,1,0,0,0,0|2,0,1]=4 85 B13R2.12 Oc1ccc(cc1)C2CCCN2 271570a_203496583355_100000766735 [0,1,0,0,0,0|1,0,0]=2 86 B13R2.12 Oc1ccc(cc1)C2OCCO2 271570a_203496583355_100009813560 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.12 Oc1ccc(cc1)N2CCCC2 271570a_203496583355_100011821362 [0,1,0,0,0,0|3,0,0]=4 88 B13R2.12 Oc1ccc(nc1)C2CCCN2 271570a_203496583355_100000728117 [0,1,0,0,0,0|2,0,0]=3 89 B13R2.12 Oc1ccc(nn1)N2CCCC2 271570a_203496583355_100000215317 [0,1,0,0,0,0|3,0,0]=4 90 B13R2.12 Oc1cnc(cn1)N2CCCC2 271570a_203496583355_100012356707 [0,1,0,0,0,0|3,0,0]=4 91 B13R2.13 Brc1cccc(c1)C2=CCCC2 271570a_100000089523_100000691529 [0,1,0,0,0,0|2,0,1]=4 92 B13R2.13 Brc1cncc(c1)C2=CCCC2 271570a_100000089523_100000728054 [0,1,0,0,0,0|1,0,1]=3 93 B13R2.13 Brc1cncc(c1)C2=CCOC2 271570a_100009872500_100000728054 [0,1,0,0,0,0|2,0,1]=4 94 B13R2.13 Brc1cncc(c1)C2=COCC2 271570a_100000118173_100000728054 [0,1,0,0,0,0|2,0,1]=4 95 B13R2.13 C[n+]1cccc(c1)C2=CCCC2 271570a_100000089523_100009996589 [0,1,0,0,0,0|1,0,2]=4 96 B13R2.13 Cc1cccc(c1)C2=CCCC2 271570a_100000089523_100011215228 [0,1,0,0,0,0|2,0,1]=4 97 B13R2.13 Cc1cncc(c1)C2=CCCC2 271570a_100000089523_100000760492 [0,1,0,0,0,0|1,0,1]=3 98 B13R2.13 Cc1cncc(c1)C2=CCOC2 271570a_100009872500_100000760492 [0,1,0,0,0,0|2,0,1]=4 99 B13R2.13 Cc1cncc(c1)C2=COCC2 271570a_100000118173_100000760492 [0,1,0,0,0,0|2,0,1]=4 100 B13R2.13 Cc1cncc(n1)C2=CCCC2 271570a_100000089523_100009842155 [0,1,0,0,0,0|2,0,1]=4 101 B13R2.13 Cc1cncc(n1)N2CCCC2 27a_100000188435_100000754123 [0,1,0,0,0,0|3,0,0]=4 102 B13R2.13 Cc1cnnc(c1)C2=CCCC2 271570a_100000089523_100000070100 [0,1,0,0,0,0|2,0,1]=4 103 B13R2.13 Cc1cnnc(c1)N2CCCC2 27a_100000188435_100000070100 [0,1,0,0,0,0|3,0,0]=4 104 B13R2.13 Clc1cccc(c1)C2=CCCC2 271570a_100000089523_100000699651 [0,1,0,0,0,0|2,0,1]=4 105 B13R2.13 Clc1cncc(c1)C2=CCCC2 271570a_100000089523_100000049639 [0,1,0,0,0,0|1,0,1]=3 106 B13R2.13 Clc1cncc(c1)C2=CCOC2 271570a_100009872500_100000049639 [0,1,0,0,0,0|2,0,1]=4 107 B13R2.13 Clc1cncc(c1)C2=COCC2 271570a_100000118173_100000049639 [0,1,0,0,0,0|2,0,1]=4 108 B13R2.13 Clc1cncc(n1)N2CCCC2 27a_100000188435_100010892449 [0,1,0,0,0,0|3,0,0]=4 109 B13R2.13 Fc1cccc(c1)C2=CCCC2 271570a_100000089523_100000685547 [0,1,0,0,0,0|2,0,1]=4 110 B13R2.13 Fc1cncc(c1)C2=CCCC2 271570a_100000089523_100000744099 [0,1,0,0,0,0|1,0,1]=3 111 B13R2.13 Fc1cncc(c1)C2=CCOC2 271570a_100009872500_100000744099 [0,1,0,0,0,0|2,0,1]=4 112 B13R2.13 Fc1cncc(c1)C2=COCC2 271570a_100000118173_100000744099 [0,1,0,0,0,0|2,0,1]=4 113 B13R2.13 Fc1cncc(n1)C2=CCCC2 271570a_100000089523_200009863489 [0,1,0,0,0,0|2,0,1]=4 114 B13R2.13 Fc1cncc(n1)N2CCCC2 27a_100000188435_200009863489 [0,1,0,0,0,0|3,0,0]=4 115 B13R2.13 Nc1cc(cnn1)C2=CCCC2 271570a_100000089523_100000130277 [0,1,0,0,0,0|2,0,1]=4 116 B13R2.13 Nc1cccc(c1)C2=CCCC2 271570a_100000089523_100000210019 [0,1,0,0,0,0|2,0,1]=4 117 B13R2.13 Nc1cncc(c1)C2=CCCC2 271570a_100000089523_100000687067 [0,1,0,0,0,0|1,0,1]=3 118 B13R2.13 Nc1cncc(c1)C2=CCOC2 271570a_100009872500_100000687067 [0,1,0,0,0,0|2,0,1]=4 119 B13R2.13 Nc1cncc(c1)C2=COCC2 271570a_100000118173_100000687067 [0,1,0,0,0,0|2,0,1]=4 120 B13R2.13 Nc1cncc(n1)C2=CCCC2 271570a_100000089523_100009819714 [0,1,0,0,0,0|2,0,1]=4 121 B13R2.13 O=c1cc(cn[nH]1)C2=CCCC2 271570a_100000089523_100010197405 [0,1,0,0,0,0|2,0,1]=4 122 B13R2.13 Oc1cccc(c1)C2=CCCC2 271570a_100000089523_100000211634 [0,1,0,0,0,0|2,0,1]=4 123 B13R2.13 Oc1cccc(c1)C2=CCCC2 271570a_203496583355_200010203063 [0,1,0,0,0,0|2,0,1]=4 124 B13R2.13 Oc1cccc(c1)C2CCCN2 271570a_203496583355_100015187783 [0,1,0,0,0,0|1,0,0]=2 125 B13R2.13 Oc1cccc(c1)C2OCCO2 271570a_203496583355_100009813323 [0,1,0,0,0,0|3,0,0]=4 126 B13R2.13 Oc1cccc(c1)N2CCCC2 271570a_203496583355_100020633440 [0,1,0,0,0,0|3,0,0]=4 127 B13R2.13 Oc1cncc(c1)C2=CCCC2 271570a_100000089523_100000754920 [0,1,0,0,0,0|1,0,1]=3 128 B13R2.13 Oc1cncc(c1)C2=CCOC2 271570a_100009872500_100000754920 [0,1,0,0,0,0|2,0,1]=4 129 B13R2.13 Oc1cncc(c1)C2=COCC2 271570a_100000118173_100000754920 [0,1,0,0,0,0|2,0,1]=4 130 B13R2.13 Oc1cncc(c1)C2CCCN2 271570a_203496583355_100012340264 [0,1,0,0,0,0|0,0,0]=1 131 B13R2.13 Oc1cncc(c1)C2OCCO2 271570a_203496583355_100010134100 [0,1,0,0,0,0|2,0,0]=3 132 B13R2.13 Oc1cncc(c1)N2CCCC2 271570a_203496583355_100011949850 [0,1,0,0,0,0|2,0,0]=3 133 B13R2.13 Oc1cncc(n1)C2=CCCC2 271570a_100000089523_100011269956 [0,1,0,0,0,0|2,0,1]=4 134 B13R2.13 Oc1cncc(n1)N2CCCC2 271570a_203496583355_100000243943 [0,1,0,0,0,0|3,0,0]=4 135 B13R2.13 Oc1cnnc(c1)C2=CCCC2 271570a_100000089523_200010734679 [0,1,0,0,0,0|2,0,1]=4 136 B13R2.13 [O-][n+]1cccc(c1)C2=CCCC2 271570a_100000089523_100009815978 [0,1,0,0,0,0|1,0,2]=4 137 B13R2.13 [S]c1cccc(c1)C2=CCCC2 271570a_100000089523_114929384022 [0,1,0,0,0,0|2,0,1]=4 138 B13R2.15 CN1CCCC1c2ccccc2 2230a_100000243309_200000210301 [0,1,0,0,0,0|1,0,0]=2 139 B13R2.15 CN1CCCC1c2ccccc2 269982a_100000243309_200000210301 [0,1,0,0,0,0|1,0,0]=2 140 B13R2.15 CN1CCCC1c2ccccc2 34a_100000243309_200000210301 [0,1,0,0,0,0|1,0,0]=2 141 B13R2.15 CN1CCCC1c2ccccn2 2230a_100000744244_200000210301 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.15 CN1CCCC1c2ccccn2 269982a_100000744244_200000210301 [0,1,0,0,0,0|2,0,0]=3 143 B13R2.15 CN1CCCC1c2cccnc2 2230a_100000233489_200000210301 [0,1,0,0,0,0|0,0,0]=1 144 B13R2.15 CN1CCCC1c2cccnc2 269982a_100000233489_200000210301 [0,1,0,0,0,0|0,0,0]=1 145 B13R2.15 CN1CCCC1c2ccncc2 2230a_106446545576_200000210301 [0,1,0,0,0,0|2,0,0]=3 146 B13R2.15 CN1CCCC1c2ccncc2 269982a_106446545576_200000210301 [0,1,0,0,0,0|2,0,0]=3 147 B13R2.15 CN1CCSC1c2ccccc2 2230a_100000215944_200000210301 [0,1,0,0,0,0|2,0,0]=3 148 B13R2.15 CN1CCSC1c2ccccc2 269982a_100000215944_200000210301 [0,1,0,0,0,0|2,0,0]=3 149 B13R2.15 CN1CCSC1c2ccccc2 34a_100000215944_200000210301 [0,1,0,0,0,0|2,0,0]=3 150 B13R2.15 CN1CCSC1c2ccccc2 7a_100000215944_200000210301 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.15 C[C@@H]1CCCN1c2cccnn2 27a_100015189458_100016991348 [0,1,0,0,0,0|3,0,0]=4 152 B13R2.15 C[C@@H]1CCCN1c2cnccn2 27a_100015189458_100000211759 [0,1,0,0,0,0|3,0,0]=4 153 B13R2.15 C[C@H]1CCCN1c2cccnn2 27a_100020605311_100016991348 [0,1,0,0,0,0|3,0,0]=4 154 B13R2.15 C[C@H]1CCCN1c2cnccn2 27a_100020605311_100000211759 [0,1,0,0,0,0|3,0,0]=4 155 B13R2.15 [13CH3]N1CCCC1c2ccccc2 2230a_100000243309_200025704644 [0,1,0,0,0,0|1,0,0]=2 156 B13R2.15 [13CH3]N1CCCC1c2ccccc2 269982a_100000243309_200025704644 [0,1,0,0,0,0|1,0,0]=2 157 B13R2.15 [13CH3]N1CCCC1c2ccccc2 34a_100000243309_200025704644 [0,1,0,0,0,0|1,0,0]=2 158 B13R2.15 [13CH3]N1CCCC1c2ccccn2 2230a_100000744244_200025704644 [0,1,0,0,0,0|2,0,0]=3 159 B13R2.15 [13CH3]N1CCCC1c2ccccn2 269982a_100000744244_200025704644 [0,1,0,0,0,0|2,0,0]=3 160 B13R2.15 [13CH3]N1CCCC1c2cccnc2 2230a_100000233489_200025704644 [0,1,0,0,0,0|0,0,0]=1 161 B13R2.15 [13CH3]N1CCCC1c2cccnc2 269982a_100000233489_200025704644 [0,1,0,0,0,0|0,0,0]=1 162 B13R2.15 [13CH3]N1CCCC1c2ccncc2 2230a_106446545576_200025704644 [0,1,0,0,0,0|2,0,0]=3 163 B13R2.15 [13CH3]N1CCCC1c2ccncc2 269982a_106446545576_200025704644 [0,1,0,0,0,0|2,0,0]=3 164 B13R2.15 [13CH3]N1CCSC1c2ccccc2 2230a_100000215944_200025704644 [0,1,0,0,0,0|2,0,0]=3 165 B13R2.15 [13CH3]N1CCSC1c2ccccc2 269982a_100000215944_200025704644 [0,1,0,0,0,0|2,0,0]=3 166 B13R2.15 [13CH3]N1CCSC1c2ccccc2 34a_100000215944_200025704644 [0,1,0,0,0,0|2,0,0]=3 167 B13R2.15 [13CH3]N1CCSC1c2ccccc2 7a_100000215944_200025704644 [0,1,0,0,0,0|2,0,0]=3 168 B13R2.18 Brc1ccccc1C2=CCCC2 271570a_100000089523_100000695589 [0,1,0,0,0,0|2,0,1]=4 169 B13R2.18 Brc1ccncc1C2=CCCC2 271570a_100000089523_100010138639 [0,1,0,0,0,0|1,0,1]=3 170 B13R2.18 Brc1ccncc1C2=CCOC2 271570a_100009872500_100010138639 [0,1,0,0,0,0|2,0,1]=4 171 B13R2.18 Brc1ccncc1C2=COCC2 271570a_100000118173_100010138639 [0,1,0,0,0,0|2,0,1]=4 172 B13R2.18 Brc1ncccc1C2=CCCC2 271570a_100000089523_100010202626 [0,1,0,0,0,0|1,0,1]=3 173 B13R2.18 Brc1ncccc1C2=CCOC2 271570a_100009872500_100010202626 [0,1,0,0,0,0|2,0,1]=4 174 B13R2.18 Brc1ncccc1C2=COCC2 271570a_100000118173_100010202626 [0,1,0,0,0,0|2,0,1]=4 175 B13R2.18 Brc1ncncc1C2=CCCC2 271570a_100000089523_200012461658 [0,1,0,0,0,0|2,0,1]=4 176 B13R2.18 Cc1ccccc1C2=CCCC2 271570a_100000089523_100000210755 [0,1,0,0,0,0|2,0,1]=4 177 B13R2.18 Cc1ccncc1C2=CCCC2 271570a_100000089523_100000761580 [0,1,0,0,0,0|1,0,1]=3 178 B13R2.18 Cc1ccncc1C2=CCOC2 271570a_100009872500_100000761580 [0,1,0,0,0,0|2,0,1]=4 179 B13R2.18 Cc1ccncc1C2=COCC2 271570a_100000118173_100000761580 [0,1,0,0,0,0|2,0,1]=4 180 B13R2.18 Cc1ccnnc1C2=CCCC2 271570a_100000089523_100000089043 [0,1,0,0,0,0|2,0,1]=4 181 B13R2.18 Cc1ccnnc1N2CCCC2 27a_100000188435_100000089043 [0,1,0,0,0,0|3,0,0]=4 182 B13R2.18 Cc1ncccc1C2=CCCC2 271570a_100000089523_100000751574 [0,1,0,0,0,0|1,0,1]=3 183 B13R2.18 Cc1ncccc1C2=CCOC2 271570a_100009872500_100000751574 [0,1,0,0,0,0|2,0,1]=4 184 B13R2.18 Cc1ncccc1C2=COCC2 271570a_100000118173_100000751574 [0,1,0,0,0,0|2,0,1]=4 185 B13R2.18 Cc1nccnc1C2=CCCC2 271570a_100000089523_100011999405 [0,1,0,0,0,0|2,0,1]=4 186 B13R2.18 Cc1nccnc1N2CCCC2 27a_100000188435_100011999405 [0,1,0,0,0,0|3,0,0]=4 187 B13R2.18 Cc1ncncc1C2=CCCC2 271570a_100000089523_100009819671 [0,1,0,0,0,0|2,0,1]=4 188 B13R2.18 Clc1ccccc1C2=CCCC2 271570a_100000089523_100000764095 [0,1,0,0,0,0|2,0,1]=4 189 B13R2.18 Clc1ccncc1C2=CCCC2 271570a_100000089523_100009995489 [0,1,0,0,0,0|1,0,1]=3 190 B13R2.18 Clc1ccncc1C2=CCOC2 271570a_100009872500_100009995489 [0,1,0,0,0,0|2,0,1]=4 191 B13R2.18 Clc1ccncc1C2=COCC2 271570a_100000118173_100009995489 [0,1,0,0,0,0|2,0,1]=4 192 B13R2.18 Clc1ncccc1C2=CCCC2 271570a_100000089523_100000036424 [0,1,0,0,0,0|1,0,1]=3 193 B13R2.18 Clc1ncccc1C2=CCOC2 271570a_100009872500_100000036424 [0,1,0,0,0,0|2,0,1]=4 194 B13R2.18 Clc1ncccc1C2=COCC2 271570a_100000118173_100000036424 [0,1,0,0,0,0|2,0,1]=4 195 B13R2.18 Clc1ncncc1C2=CCCC2 271570a_100000089523_100000758962 [0,1,0,0,0,0|2,0,1]=4 196 B13R2.18 Fc1ccccc1C2=CCCC2 271570a_100000089523_100011215700 [0,1,0,0,0,0|2,0,1]=4 197 B13R2.18 Fc1ccncc1C2=CCCC2 271570a_100000089523_100009820683 [0,1,0,0,0,0|1,0,1]=3 198 B13R2.18 Fc1ccncc1C2=CCOC2 271570a_100009872500_100009820683 [0,1,0,0,0,0|2,0,1]=4 199 B13R2.18 Fc1ccncc1C2=COCC2 271570a_100000118173_100009820683 [0,1,0,0,0,0|2,0,1]=4 200 B13R2.18 Fc1ncccc1C2=CCCC2 271570a_100000089523_100009816115 [0,1,0,0,0,0|1,0,1]=3 201 B13R2.18 Fc1ncccc1C2=CCOC2 271570a_100009872500_100009816115 [0,1,0,0,0,0|2,0,1]=4 202 B13R2.18 Fc1ncccc1C2=COCC2 271570a_100000118173_100009816115 [0,1,0,0,0,0|2,0,1]=4 203 B13R2.18 Fc1nccnc1C2=CCCC2 271570a_100000089523_200010125657 [0,1,0,0,0,0|2,0,1]=4 204 B13R2.18 Fc1nccnc1N2CCCC2 27a_100000188435_200010125657 [0,1,0,0,0,0|3,0,0]=4 205 B13R2.18 Nc1ccccc1C2=CCCC2 271570a_100000089523_100000210017 [0,1,0,0,0,0|2,0,1]=4 206 B13R2.18 Nc1ccncc1C2=CCCC2 271570a_100000089523_100000047001 [0,1,0,0,0,0|1,0,1]=3 207 B13R2.18 Nc1ccncc1C2=CCOC2 271570a_100009872500_100000047001 [0,1,0,0,0,0|2,0,1]=4 208 B13R2.18 Nc1ccncc1C2=COCC2 271570a_100000118173_100000047001 [0,1,0,0,0,0|2,0,1]=4 209 B13R2.18 Nc1cnncc1C2=CCCC2 271570a_100000089523_100009829405 [0,1,0,0,0,0|2,0,1]=4 210 B13R2.18 Nc1ncccc1C2=CCCC2 271570a_100000089523_100000045569 [0,1,0,0,0,0|1,0,1]=3 211 B13R2.18 Nc1ncccc1C2=CCOC2 271570a_100009872500_100000045569 [0,1,0,0,0,0|2,0,1]=4 212 B13R2.18 Nc1ncccc1C2=COCC2 271570a_100000118173_100000045569 [0,1,0,0,0,0|2,0,1]=4 213 B13R2.18 Nc1nccnc1C2=CCCC2 271570a_100000089523_100000747729 [0,1,0,0,0,0|2,0,1]=4 214 B13R2.18 Nc1ncncc1C2=CCCC2 271570a_100000089523_100011996079 [0,1,0,0,0,0|2,0,1]=4 215 B13R2.18 O=c1[nH]cccc1C2=CCCC2 271570a_100000089523_100000050042 [0,1,0,0,0,0|1,0,2]=4 216 B13R2.18 O=c1cc[nH]cc1C2=CCCC2 271570a_100000089523_100009998708 [0,1,0,0,0,0|1,0,2]=4 217 B13R2.18 Oc1ccccc1C2=CCCC2 271570a_100000089523_100000739446 [0,1,0,0,0,0|2,0,1]=4 218 B13R2.18 Oc1ccccc1C2CCCN2 271570a_203496583355_100000686366 [0,1,0,0,0,0|1,0,0]=2 219 B13R2.18 Oc1ccccc1C2CCNC2 271570a_203496583355_100010170462 [0,1,0,0,0,0|3,0,0]=4 220 B13R2.18 Oc1ccccc1C2OCCO2 271570a_203496583355_100009814316 [0,1,0,0,0,0|3,0,0]=4 221 B13R2.18 Oc1ccccc1N2CCCC2 271570a_203496583355_100011821364 [0,1,0,0,0,0|3,0,0]=4 222 B13R2.18 Oc1nccnc1N2CCCC2 271570a_203496583355_200011529397 [0,1,0,0,0,0|3,0,0]=4 223 B13R2.18 Oc1ncncc1C2=CCCC2 271570a_100000089523_100000751107 [0,1,0,0,0,0|2,0,1]=4 224 B13R2.18 S=c1cc[nH]cc1C2=CCCC2 271570a_100000089523_200012280681 [0,1,0,0,0,0|1,0,2]=4 225 B11R1.12 C=CC(NC)c1ccccc1 2230a_106832991635_200000085779 [0,0,1,0,0,0|1,0,2]=4 226 B11R1.12 CCC(NC)c1ccccc1 2230a_100000737752_200000210301 [0,0,1,0,0,0|1,0,0]=2 227 B11R1.12 CCC(NC)c1ccccc1 269862a_106832991636_100000210124 [0,0,1,0,0,0|1,0,0]=2 228 B11R1.12 CCC(NC)c1ccccn1 2230a_100015186561_200000210301 [0,0,1,0,0,0|2,0,0]=3 229 B11R1.12 CCC(NC)c1ccccn1 269862a_106832991636_100000748178 [0,0,1,0,0,0|2,0,0]=3 230 B11R1.12 CCC(NC)c1cccnc1 2230a_100000246009_200000210301 [0,0,1,0,0,0|0,0,0]=1 231 B11R1.12 CCC(NC)c1cccnc1 269862a_106832991636_100011218761 [0,0,1,0,0,0|0,0,0]=1 232 B11R1.12 CCC(NC)c1ccncc1 269862a_106832991636_100011216016 [0,0,1,0,0,0|2,0,0]=3 233 B11R1.12 CCC(NC)c1cnccn1 2230a_200016994365_200000210301 [0,0,1,0,0,0|1,0,0]=2 234 B11R1.12 CCC(NC)c1ncccn1 269862a_106832991636_200011350823 [0,0,1,0,0,0|3,0,0]=4 235 B11R1.12 CCC(NC)c1ncccn1 270004a_106832991635_200011350823 [0,0,1,0,0,0|3,0,0]=4 236 B11R1.12 CCC(N[13CH3])c1ccccc1 2230a_100000737752_200025704644 [0,0,1,0,0,0|1,0,0]=2 237 B11R1.12 CCC(N[13CH3])c1ccccn1 2230a_100015186561_200025704644 [0,0,1,0,0,0|2,0,0]=3 238 B11R1.12 CCC(N[13CH3])c1cccnc1 2230a_100000246009_200025704644 [0,0,1,0,0,0|0,0,0]=1 239 B11R1.12 CCC(N[13CH3])c1cnccn1 2230a_200016994365_200025704644 [0,0,1,0,0,0|1,0,0]=2 240 B11R1.12 CCC(OC)c1ccccc1 34a_100000698172_200000210301 [0,0,1,0,0,0|2,0,0]=3 241 B11R1.12 CCC(OC)c1ccccc1 7a_100000698172_200000210301 [0,0,1,0,0,0|2,0,0]=3 242 B11R1.12 CCC(O[13CH3])c1ccccc1 34a_100000698172_200025704644 [0,0,1,0,0,0|2,0,0]=3 243 B11R1.12 CCC(O[13CH3])c1ccccc1 7a_100000698172_200025704644 [0,0,1,0,0,0|2,0,0]=3 244 B11R1.12 CCN(CC)c1ccccc1 2230a_100000210013_100000210202 [0,0,1,0,0,0|3,0,0]=4 245 B11R1.12 CCN(CC)c1ccccc1 269982a_100000210013_100000204670 [0,0,1,0,0,0|3,0,0]=4 246 B11R1.12 CCN(CC)c1ccccc1 34a_100000210013_100000210202 [0,0,1,0,0,0|3,0,0]=4 247 B11R1.12 CCN(CC)c1cccnn1 27a_100000724800_100016991348 [0,0,1,0,0,0|3,0,0]=4 248 B11R1.12 CCN(CC)c1cnccn1 27a_100000724800_100000211759 [0,0,1,0,0,0|3,0,0]=4 249 B11R1.12 CNC(CO)c1ccccn1 2230a_100015196888_200000210301 [0,0,1,0,0,0|3,0,0]=4 250 B11R1.12 CN[C@H](CO)c1ccccc1 2230a_100000751927_200000210301 [0,0,1,0,0,0|2,0,0]=3 251 B11R1.12 CN[C@H](CO)c1ccccc1 34a_100000751927_200000210301 [0,0,1,0,0,0|2,0,0]=3 252 B11R1.12 CN[C@H](CO)c1ccncc1 2230a_100138412524_200000210301 [0,0,1,0,0,0|3,0,0]=4 253 B11R1.12 COC(CBr)c1ccccc1 7a_100000185958_200000210301 [0,0,1,0,0,0|3,0,0]=4 254 B11R1.12 COC(CN)c1ccccc1 34a_100000210709_200000210301 [0,0,1,0,0,0|3,0,0]=4 255 B11R1.12 CO[C@H](CCl)c1ccccc1 34a_100011933945_200000210301 [0,0,1,0,0,0|3,0,0]=4 256 B11R1.12 CO[C@H](CCl)c1ccccc1 7a_100011933945_200000210301 [0,0,1,0,0,0|3,0,0]=4 257 B11R1.12 [13CH3]NC(CO)c1ccccn1 2230a_100015196888_200025704644 [0,0,1,0,0,0|3,0,0]=4 258 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 2230a_100000751927_200025704644 [0,0,1,0,0,0|2,0,0]=3 259 B11R1.12 [13CH3]N[C@H](CO)c1ccccc1 34a_100000751927_200025704644 [0,0,1,0,0,0|2,0,0]=3 260 B11R1.12 [13CH3]N[C@H](CO)c1ccncc1 2230a_100138412524_200025704644 [0,0,1,0,0,0|3,0,0]=4 261 B11R1.12 [13CH3]OC(CBr)c1ccccc1 7a_100000185958_200025704644 [0,0,1,0,0,0|3,0,0]=4 262 B11R1.12 [13CH3]OC(CN)c1ccccc1 34a_100000210709_200025704644 [0,0,1,0,0,0|3,0,0]=4 263 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 34a_100011933945_200025704644 [0,0,1,0,0,0|3,0,0]=4 264 B11R1.12 [13CH3]O[C@H](CCl)c1ccccc1 7a_100011933945_200025704644 [0,0,1,0,0,0|3,0,0]=4 265 B11R1.16 CC(CN[13CH3])c1ccccc1 2230a_100000701038_200025704644 [0,0,1,0,0,0|3,0,0]=4 266 B11R1.16 CC(CN[13CH3])c1ccccc1 34a_100000701038_200025704644 [0,0,1,0,0,0|3,0,0]=4 267 B11R1.16 CC(CO[13CH3])c1ccccc1 34a_100011215166_200025704644 [0,0,1,0,0,0|3,0,0]=4 268 B11R1.16 CC(CO[13CH3])c1ccccc1 7a_100011215166_200025704644 [0,0,1,0,0,0|3,0,0]=4 269 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_100000756946_200025704644 [0,0,1,0,0,0|3,0,0]=4 270 B11R1.16 CC(CS[13CH3])c1ccccc1 62a_200025704644_100000756946 [0,0,1,0,0,0|3,0,0]=4 271 B11R1.16 CC(SCF)c1ccccc1 62a_100000230085_100015361967 [0,0,1,0,0,0|3,0,0]=4 272 B11R1.16 CC(SCF)c1ccccc1 62a_100015361967_100000230085 [0,0,1,0,0,0|3,0,0]=4 273 B11R1.16 CC(SCF)c1cnccn1 62a_100015361967_200000703233 [0,0,1,0,0,0|3,0,0]=4 274 B11R1.16 CC(SCF)c1cnccn1 62a_200000703233_100015361967 [0,0,1,0,0,0|3,0,0]=4 275 B11R1.16 CCCC(=O)c1ccccc1 1458a_100000185807_100000210303 [0,0,1,0,0,0|2,0,1]=4 276 B11R1.16 CCCN(C)c1ccccc1 2230a_100000210012_100000210303 [0,0,1,0,0,0|3,0,0]=4 277 B11R1.16 CCCN(C)c1ccccc1 2230a_200011218496_200000210301 [0,0,1,0,0,0|3,0,0]=4 278 B11R1.16 CCCN(C)c1ccccc1 269982a_100000210012_100000210303 [0,0,1,0,0,0|3,0,0]=4 279 B11R1.16 CCCN(C)c1ccccc1 269982a_200011218496_200000210301 [0,0,1,0,0,0|3,0,0]=4 280 B11R1.16 CCCN(C)c1ccccc1 34a_100000210012_100000210303 [0,0,1,0,0,0|3,0,0]=4 281 B11R1.16 CCCN(C)c1ccccc1 34a_200011218496_200000210301 [0,0,1,0,0,0|3,0,0]=4 282 B11R1.16 CCCN(C)c1cccnn1 27a_100000747261_100016991348 [0,0,1,0,0,0|3,0,0]=4 283 B11R1.16 CCCN(C)c1cnccn1 27a_100000747261_100000211759 [0,0,1,0,0,0|3,0,0]=4 284 B11R1.16 CCCN([13CH3])c1ccccc1 2230a_200011218496_200025704644 [0,0,1,0,0,0|3,0,0]=4 285 B11R1.16 CCCN([13CH3])c1ccccc1 269982a_200011218496_200025704644 [0,0,1,0,0,0|3,0,0]=4 286 B11R1.16 CCCN([13CH3])c1ccccc1 34a_200011218496_200025704644 [0,0,1,0,0,0|3,0,0]=4 287 B11R1.16 CCNC(=O)c1ccccc1 11a_100015525214_100000185807 [0,0,1,0,0,0|2,0,1]=4 288 B11R1.16 CCNC(=O)c1ccccc1 240690a_100015525214_100000185807 [0,0,1,0,0,0|2,0,1]=4 289 B11R1.16 CCNC(=O)c1ccccc1 527a_100015525214_100000185807 [0,0,1,0,0,0|2,0,1]=4 290 B11R1.16 CCNC(C)c1ccccc1 2230a_100015525214_100000230085 [0,0,1,0,0,0|1,0,0]=2 291 B11R1.16 CCNC(C)c1ccccc1 269862a_100015525214_100000185851 [0,0,1,0,0,0|1,0,0]=2 292 B11R1.16 CCNC(C)c1ccccn1 2230a_100000181244_100000210202 [0,0,1,0,0,0|2,0,0]=3 293 B11R1.16 CCNC(C)c1ccccn1 269862a_100015525214_100000210467 [0,0,1,0,0,0|2,0,0]=3 294 B11R1.16 CCNC(C)c1cccnc1 2230a_100000195435_100000210202 [0,0,1,0,0,0|0,0,0]=1 295 B11R1.16 CCNC(C)c1cccnc1 269862a_100015525214_100000210468 [0,0,1,0,0,0|0,0,0]=1 296 B11R1.16 CCNC(C)c1cccnn1 269862a_100015525214_100009866853 [0,0,1,0,0,0|1,0,0]=2 297 B11R1.16 CCNC(C)c1ccncc1 2230a_100000181269_100000210202 [0,0,1,0,0,0|2,0,0]=3 298 B11R1.16 CCNC(C)c1ccncc1 269862a_100015525214_100000185792 [0,0,1,0,0,0|2,0,0]=3 299 B11R1.16 CCNC(C)c1ccnnc1 269862a_100015525214_100012182992 [0,0,1,0,0,0|1,0,0]=2 300 B11R1.16 CCNC(C)c1cnccn1 2230a_100015525214_200000703233 [0,0,1,0,0,0|1,0,0]=2 301 B11R1.16 CCNC(C)c1cnccn1 269862a_100015525214_100000751083 [0,0,1,0,0,0|1,0,0]=2 302 B11R1.16 CCNC(C)c1cncnc1 269862a_100015525214_100000757475 [0,0,1,0,0,0|1,0,0]=2 303 B11R1.16 CCNC(C)c1ncccn1 2230a_100020641698_100000210202 [0,0,1,0,0,0|3,0,0]=4 304 B11R1.16 CCNC(C)c1ncccn1 270004a_100015525214_100011350828 [0,0,1,0,0,0|3,0,0]=4 305 B11R1.16 CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210202 [0,0,1,0,0,0|1,0,0]=2 306 B11R1.16 CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210202 [0,0,1,0,0,0|1,0,0]=2 307 B11R1.16 CCOC(C)c1ccccc1 34a_100121572206_100000211855 [0,0,1,0,0,0|2,0,0]=3 308 B11R1.16 CCO[C@H](C)c1ccccc1 34a_100000761318_100000210202 [0,0,1,0,0,0|2,0,0]=3 309 B11R1.16 CCO[C@H](C)c1ccccc1 7a_100000761318_100000210202 [0,0,1,0,0,0|2,0,0]=3 310 B11R1.16 CCSC(C)c1ccccc1 62a_100000210202_100000230085 [0,0,1,0,0,0|2,0,0]=3 311 B11R1.16 CCSC(C)c1ccccc1 62a_100000230085_100000210202 [0,0,1,0,0,0|2,0,0]=3 312 B11R1.16 CCSC(C)c1cnccn1 62a_100000210202_200000703233 [0,0,1,0,0,0|2,0,0]=3 313 B11R1.16 CCSC(C)c1cnccn1 62a_200000703233_100000210202 [0,0,1,0,0,0|2,0,0]=3 314 B11R1.16 CNCC(C)c1ccccc1 2230a_100000701038_200000210301 [0,0,1,0,0,0|3,0,0]=4 315 B11R1.16 CNCC(C)c1ccccc1 2230a_106832991635_100000756946 [0,0,1,0,0,0|3,0,0]=4 316 B11R1.16 CNCC(C)c1ccccc1 270004a_106832991635_100000212034 [0,0,1,0,0,0|3,0,0]=4 317 B11R1.16 CNCC(C)c1ccccc1 34a_100000701038_200000210301 [0,0,1,0,0,0|3,0,0]=4 318 B11R1.16 CNCC(C)c1ccccc1 34a_100102657272_100000756946 [0,0,1,0,0,0|3,0,0]=4 319 B11R1.16 CNCC(C)c1ccccc1 7a_106832991635_100000756946 [0,0,1,0,0,0|3,0,0]=4 320 B11R1.16 CNCC(O)c1ccccc1 2230a_100000210709_200000210301 [0,0,1,0,0,0|3,0,0]=4 321 B11R1.16 CNCC(O)c1ccccc1 2230a_106832991635_100000185958 [0,0,1,0,0,0|3,0,0]=4 322 B11R1.16 CNCC(O)c1ccccc1 34a_100102657272_100000185958 [0,0,1,0,0,0|3,0,0]=4 323 B11R1.16 CNCC(O)c1ccccc1 7a_106832991635_100000185958 [0,0,1,0,0,0|3,0,0]=4 324 B11R1.16 CNCC(O)c1cccnc1 2230a_100020605170_200000210301 [0,0,1,0,0,0|2,0,0]=3 325 B11R1.16 CNC[C@@H](O)c1ccccc1 2230a_106832991635_100011933945 [0,0,1,0,0,0|3,0,0]=4 326 B11R1.16 CNC[C@@H](O)c1ccccc1 34a_100102657272_100011933945 [0,0,1,0,0,0|3,0,0]=4 327 B11R1.16 CNC[C@@H](O)c1ccccc1 7a_106832991635_100011933945 [0,0,1,0,0,0|3,0,0]=4 328 B11R1.16 COCC(C)c1ccccc1 34a_100011215166_200000210301 [0,0,1,0,0,0|3,0,0]=4 329 B11R1.16 COCC(C)c1ccccc1 34a_100138415774_100000756946 [0,0,1,0,0,0|3,0,0]=4 330 B11R1.16 COCC(C)c1ccccc1 7a_100011215166_200000210301 [0,0,1,0,0,0|3,0,0]=4 331 B11R1.16 COCC(O)c1ccccc1 34a_100138415774_100000185958 [0,0,1,0,0,0|3,0,0]=4 332 B11R1.16 COC[C@@H](N)c1ccccc1 34a_100000751927_200000210301 [0,0,1,0,0,0|2,0,0]=3 333 B11R1.16 COC[C@@H](N)c1ccncc1 34a_100138412524_200000210301 [0,0,1,0,0,0|3,0,0]=4 334 B11R1.16 COC[C@@H](O)c1ccccc1 34a_100138415774_100011933945 [0,0,1,0,0,0|3,0,0]=4 335 B11R1.16 CSCC(=O)c1cccnc1 62a_100000757877_200000210301 [0,0,1,0,0,0|2,0,1]=4 336 B11R1.16 CSCC(=O)c1cccnc1 62a_200000210301_100000757877 [0,0,1,0,0,0|2,0,1]=4 337 B11R1.16 CSCC(C)c1ccccc1 62a_100000756946_200000210301 [0,0,1,0,0,0|3,0,0]=4 338 B11R1.16 CSCC(C)c1ccccc1 62a_200000210301_100000756946 [0,0,1,0,0,0|3,0,0]=4 339 B11R1.16 CSCC(O)c1ccccc1 62a_100000185958_200000210301 [0,0,1,0,0,0|3,0,0]=4 340 B11R1.16 CSCC(O)c1ccccc1 62a_200000210301_100000185958 [0,0,1,0,0,0|3,0,0]=4 341 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_100011933945_200000210301 [0,0,1,0,0,0|3,0,0]=4 342 B11R1.16 CSC[C@@H](O)c1ccccc1 62a_200000210301_100011933945 [0,0,1,0,0,0|3,0,0]=4 343 B11R1.16 C[C@@H](OCF)c1ccccc1 34a_100000761318_100015361967 [0,0,1,0,0,0|3,0,0]=4 344 B11R1.16 C[C@@H](OCF)c1ccccc1 7a_100000761318_100015361967 [0,0,1,0,0,0|3,0,0]=4 345 B11R1.16 [13CH3]NCC(O)c1ccccc1 2230a_100000210709_200025704644 [0,0,1,0,0,0|3,0,0]=4 346 B11R1.16 [13CH3]NCC(O)c1cccnc1 2230a_100020605170_200025704644 [0,0,1,0,0,0|2,0,0]=3 347 B11R1.16 [13CH3]OC[C@@H](N)c1ccccc1 34a_100000751927_200025704644 [0,0,1,0,0,0|2,0,0]=3 348 B11R1.16 [13CH3]OC[C@@H](N)c1ccncc1 34a_100138412524_200025704644 [0,0,1,0,0,0|3,0,0]=4 349 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_100000757877_200025704644 [0,0,1,0,0,0|2,0,1]=4 350 B11R1.16 [13CH3]SCC(=O)c1cccnc1 62a_200025704644_100000757877 [0,0,1,0,0,0|2,0,1]=4 351 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_100000185958_200025704644 [0,0,1,0,0,0|3,0,0]=4 352 B11R1.16 [13CH3]SCC(O)c1ccccc1 62a_200025704644_100000185958 [0,0,1,0,0,0|3,0,0]=4 353 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_100011933945_200025704644 [0,0,1,0,0,0|3,0,0]=4 354 B11R1.16 [13CH3]SC[C@@H](O)c1ccccc1 62a_200025704644_100011933945 [0,0,1,0,0,0|3,0,0]=4 355 B11R1.28 BrCCOCc1ccccc1 34a_100000211926_100015291786 [0,0,1,0,0,0|3,0,0]=4 356 B11R1.28 BrCCOCc1cccnc1 34a_100000211926_100000733263 [0,0,1,0,0,0|2,0,0]=3 357 B11R1.28 BrCCOCc1cccnn1 34a_100000211926_100016990269 [0,0,1,0,0,0|3,0,0]=4 358 B11R1.28 BrCCOCc1cnccn1 34a_100000211926_100016995436 [0,0,1,0,0,0|3,0,0]=4 359 B11R1.28 BrCCOCc1cncnc1 34a_100000211926_100015196519 [0,0,1,0,0,0|3,0,0]=4 360 B11R1.28 C#CCCOc1cccnc1 34a_100000210849_100000688953 [0,0,1,0,0,0|2,0,1]=4 361 B11R1.28 C#CCCOc1cccnc1 7a_100000210849_100000688953 [0,0,1,0,0,0|2,0,1]=4 362 B11R1.28 C#CCCSc1cccnc1 62a_100000210063_100000688953 [0,0,1,0,0,0|2,0,1]=4 363 B11R1.28 C#CCCSc1cccnc1 62a_100000688953_100000210063 [0,0,1,0,0,0|2,0,1]=4 364 B11R1.28 C#CCNCc1ccccc1 2230a_100015324214_100000038162 [0,0,1,0,0,0|1,0,2]=4 365 B11R1.28 C#CCNCc1ccccc1 34a_100000212058_100015291786 [0,0,1,0,0,0|1,0,2]=4 366 B11R1.28 C#CCNCc1ccccc1 34a_100015324214_100000184674 [0,0,1,0,0,0|1,0,2]=4 367 B11R1.28 C#CCNCc1cccnc1 34a_100000212058_100000733263 [0,0,1,0,0,0|0,0,2]=3 368 B11R1.28 C#CCNCc1cccnn1 2230a_100159270163_100000038162 [0,0,1,0,0,0|1,0,2]=4 369 B11R1.28 C#CCNCc1cccnn1 34a_100000212058_100016990269 [0,0,1,0,0,0|1,0,2]=4 370 B11R1.28 C#CCNCc1cnccn1 34a_100000212058_100016995436 [0,0,1,0,0,0|1,0,2]=4 371 B11R1.28 C#CCNCc1cncnc1 2230a_100011243677_100000038162 [0,0,1,0,0,0|1,0,2]=4 372 B11R1.28 C#CCNCc1cncnc1 34a_100000212058_100015196519 [0,0,1,0,0,0|1,0,2]=4 373 B11R1.28 C#CCOCc1cccnc1 34a_100000210247_100000733263 [0,0,1,0,0,0|1,0,2]=4 374 B11R1.28 C#CCSCc1cccnc1 62a_100000038162_100000741622 [0,0,1,0,0,0|1,0,2]=4 375 B11R1.28 C=CCCOc1cccnc1 34a_100000210849_100000754431 [0,0,1,0,0,0|2,0,1]=4 376 B11R1.28 C=CCCOc1cccnc1 7a_100000210849_100000754431 [0,0,1,0,0,0|2,0,1]=4 377 B11R1.28 C=CCCSc1cccnc1 62a_100000210063_100000754431 [0,0,1,0,0,0|2,0,1]=4 378 B11R1.28 C=CCCSc1cccnc1 62a_100000754431_100000210063 [0,0,1,0,0,0|2,0,1]=4 379 B11R1.28 C=CCNCc1ccccc1 2230a_100015324214_100000210623 [0,0,1,0,0,0|1,0,2]=4 380 B11R1.28 C=CCNCc1ccccc1 2230a_100020586998_100015291786 [0,0,1,0,0,0|1,0,2]=4 381 B11R1.28 C=CCNCc1ccccc1 270004a_100020586998_100015611070 [0,0,1,0,0,0|1,0,2]=4 382 B11R1.28 C=CCNCc1ccccc1 34a_100015324214_100015514636 [0,0,1,0,0,0|1,0,2]=4 383 B11R1.28 C=CCNCc1cccnc1 2230a_100020586998_100000741622 [0,0,1,0,0,0|0,0,2]=3 384 B11R1.28 C=CCNCc1cccnc1 270004a_100020586998_100000209961 [0,0,1,0,0,0|0,0,2]=3 385 B11R1.28 C=CCNCc1cccnn1 2230a_100020586998_100016990269 [0,0,1,0,0,0|1,0,2]=4 386 B11R1.28 C=CCNCc1cccnn1 2230a_100159270163_100000210623 [0,0,1,0,0,0|1,0,2]=4 387 B11R1.28 C=CCNCc1ccnnc1 270004a_100020586998_100011934578 [0,0,1,0,0,0|1,0,2]=4 388 B11R1.28 C=CCNCc1cnccn1 2230a_100020586998_100016995436 [0,0,1,0,0,0|1,0,2]=4 389 B11R1.28 C=CCNCc1cnccn1 270004a_100020586998_100000749867 [0,0,1,0,0,0|1,0,2]=4 390 B11R1.28 C=CCNCc1cncnc1 2230a_100011243677_100000210623 [0,0,1,0,0,0|1,0,2]=4 391 B11R1.28 C=CCNCc1cncnc1 2230a_100020586998_100015196519 [0,0,1,0,0,0|1,0,2]=4 392 B11R1.28 C=CCNCc1cncnc1 270004a_100020586998_100000749868 [0,0,1,0,0,0|1,0,2]=4 393 B11R1.28 C=CCOCc1cccnc1 34a_200000210373_100000733263 [0,0,1,0,0,0|1,0,2]=4 394 B11R1.28 C=CCSCc1cccnc1 62a_100000210623_100000741622 [0,0,1,0,0,0|1,0,2]=4 395 B11R1.28 C=CCSCc1cccnc1 62a_100000741622_100000210623 [0,0,1,0,0,0|1,0,2]=4 396 B11R1.28 CC=NNCc1ccccc1 4a_100000007032_200000210099 [0,0,1,0,0,0|2,0,1]=4 397 B11R1.28 CC=NNCc1cccnc1 4a_100000738295_200000210099 [0,0,1,0,0,0|1,0,1]=3 398 B11R1.28 CCC=NNc1cccnc1 4a_100000728903_100000210100 [0,0,1,0,0,0|1,0,2]=4 399 B11R1.28 CCCC=Cc1ccccc1 271570a_100016258520_100000210277 [0,0,1,0,0,0|2,0,1]=4 400 B11R1.28 CCCC=Cc1cccnc1 271570a_100016258520_100000752921 [0,0,1,0,0,0|1,0,1]=3 401 B11R1.28 CCCC=Cc1cccnn1 271570a_100016258520_100016991348 [0,0,1,0,0,0|2,0,1]=4 402 B11R1.28 CCCC=Cc1ccnnc1 271570a_100016258520_100000732662 [0,0,1,0,0,0|2,0,1]=4 403 B11R1.28 CCCC=Cc1cnccn1 271570a_100016258520_100000758340 [0,0,1,0,0,0|2,0,1]=4 404 B11R1.28 CCCC=Cc1cncnc1 271570a_100016258520_100011206942 [0,0,1,0,0,0|2,0,1]=4 405 B11R1.28 CCCCNc1ccccc1 34a_100000106764_100000210210 [0,0,1,0,0,0|3,0,0]=4 406 B11R1.28 CCCCNc1cccnn1 27a_100000102301_100016991348 [0,0,1,0,0,0|3,0,0]=4 407 B11R1.28 CCCCNc1cnccn1 27a_100000102301_100000211759 [0,0,1,0,0,0|3,0,0]=4 408 B11R1.28 CCCCOc1ccccc1 34a_100000210340_100000210210 [0,0,1,0,0,0|3,0,0]=4 409 B11R1.28 CCCCOc1ccccc1 7a_100000210340_100000210211 [0,0,1,0,0,0|3,0,0]=4 410 B11R1.28 CCCCOc1cccnc1 34a_100000210849_100000210210 [0,0,1,0,0,0|2,0,0]=3 411 B11R1.28 CCCCOc1cccnc1 7a_100000210849_100000210211 [0,0,1,0,0,0|2,0,0]=3 412 B11R1.28 CCCCOc1ccnnc1 34a_100015204005_100000210210 [0,0,1,0,0,0|3,0,0]=4 413 B11R1.28 CCCCOc1cncnc1 7a_100000754086_100000210211 [0,0,1,0,0,0|3,0,0]=4 414 B11R1.28 CCCCSc1ccccc1 62a_100000210211_100000041952 [0,0,1,0,0,0|3,0,0]=4 415 B11R1.28 CCCCSc1ccccc1 62a_100000719477_100000210210 [0,0,1,0,0,0|3,0,0]=4 416 B11R1.28 CCCCSc1cccnc1 62a_100000210063_100000210210 [0,0,1,0,0,0|2,0,0]=3 417 B11R1.28 CCCCSc1cccnc1 62a_100000210211_100000210063 [0,0,1,0,0,0|2,0,0]=3 418 B11R1.28 CCCCSc1cccnn1 62a_100000210211_100016991348 [0,0,1,0,0,0|3,0,0]=4 419 B11R1.28 CCCCSc1cccnn1 62a_100016991348_100000210210 [0,0,1,0,0,0|3,0,0]=4 420 B11R1.28 CCCCSc1ccnnc1 62a_100000210211_100000732662 [0,0,1,0,0,0|3,0,0]=4 421 B11R1.28 CCCCSc1ccnnc1 62a_100000732662_100000210210 [0,0,1,0,0,0|3,0,0]=4 422 B11R1.28 CCCCSc1cnccn1 62a_100000210211_100000211759 [0,0,1,0,0,0|3,0,0]=4 423 B11R1.28 CCCCSc1cnccn1 62a_100000211759_100000210210 [0,0,1,0,0,0|3,0,0]=4 424 B11R1.28 CCCCSc1cncnc1 62a_100000210211_100011206942 [0,0,1,0,0,0|3,0,0]=4 425 B11R1.28 CCCCSc1cncnc1 62a_100011206942_100000210210 [0,0,1,0,0,0|3,0,0]=4 426 B11R1.28 CCCNCc1ccccc1 207a_100020643023_100015611070 [0,0,1,0,0,0|1,0,0]=2 427 B11R1.28 CCCNCc1ccccc1 2230a_100015324214_100000210303 [0,0,1,0,0,0|1,0,0]=2 428 B11R1.28 CCCNCc1ccccc1 270004a_100020643023_100015611070 [0,0,1,0,0,0|1,0,0]=2 429 B11R1.28 CCCNCc1ccccc1 34a_100015324214_100000210303 [0,0,1,0,0,0|1,0,0]=2 430 B11R1.28 CCCNCc1ccccn1 207a_100020643023_100000209966 [0,0,1,0,0,0|2,0,0]=3 431 B11R1.28 CCCNCc1ccccn1 270004a_100020643023_100000209966 [0,0,1,0,0,0|2,0,0]=3 432 B11R1.28 CCCNCc1cccnc1 207a_100020643023_100000209961 [0,0,1,0,0,0|0,0,0]=1 433 B11R1.28 CCCNCc1cccnc1 270004a_100020643023_100000209961 [0,0,1,0,0,0|0,0,0]=1 434 B11R1.28 CCCNCc1cccnn1 2230a_100159270163_100000210303 [0,0,1,0,0,0|1,0,0]=2 435 B11R1.28 CCCNCc1ccncc1 207a_100020643023_100000186114 [0,0,1,0,0,0|2,0,0]=3 436 B11R1.28 CCCNCc1ccnnc1 270004a_100020643023_100011934578 [0,0,1,0,0,0|1,0,0]=2 437 B11R1.28 CCCNCc1cnccn1 270004a_100020643023_100000749867 [0,0,1,0,0,0|1,0,0]=2 438 B11R1.28 CCCNCc1cncnc1 2230a_100011243677_100000210303 [0,0,1,0,0,0|1,0,0]=2 439 B11R1.28 CCCNCc1cncnc1 270004a_100020643023_100000749868 [0,0,1,0,0,0|1,0,0]=2 440 B11R1.28 CCCNCc1ncccn1 270004a_100020643023_100011532527 [0,0,1,0,0,0|3,0,0]=4 441 B11R1.28 CCCOCc1ccccc1 34a_100000210258_100015291786 [0,0,1,0,0,0|2,0,0]=3 442 B11R1.28 CCCOCc1ccccc1 34a_100000210790_100000210303 [0,0,1,0,0,0|2,0,0]=3 443 B11R1.28 CCCOCc1ccccc1 7a_100000210790_100000210303 [0,0,1,0,0,0|2,0,0]=3 444 B11R1.28 CCCOCc1ccccn1 34a_100000210258_100000721315 [0,0,1,0,0,0|3,0,0]=4 445 B11R1.28 CCCOCc1cccnc1 34a_100000210258_100000733263 [0,0,1,0,0,0|1,0,0]=2 446 B11R1.28 CCCOCc1cccnn1 34a_100000210258_100016990269 [0,0,1,0,0,0|2,0,0]=3 447 B11R1.28 CCCOCc1cnccn1 34a_100000210258_100016995436 [0,0,1,0,0,0|2,0,0]=3 448 B11R1.28 CCCOCc1cncnc1 34a_100000210258_100015196519 [0,0,1,0,0,0|2,0,0]=3 449 B11R1.28 CCCSCc1ccccc1 62a_100000210303_100015291786 [0,0,1,0,0,0|2,0,0]=3 450 B11R1.28 CCCSCc1ccccc1 62a_100000211182_100000210303 [0,0,1,0,0,0|2,0,0]=3 451 B11R1.28 CCCSCc1ccccn1 62a_100000210303_100000721315 [0,0,1,0,0,0|3,0,0]=4 452 B11R1.28 CCCSCc1ccccn1 62a_100000721315_100000210303 [0,0,1,0,0,0|3,0,0]=4 453 B11R1.28 CCCSCc1cccnc1 62a_100000210303_100000741622 [0,0,1,0,0,0|1,0,0]=2 454 B11R1.28 CCCSCc1cccnc1 62a_100000741622_100000210303 [0,0,1,0,0,0|1,0,0]=2 455 B11R1.28 CCCSCc1cccnn1 62a_100000210303_100016990269 [0,0,1,0,0,0|2,0,0]=3 456 B11R1.28 CCCSCc1cccnn1 62a_100016990269_100000210303 [0,0,1,0,0,0|2,0,0]=3 457 B11R1.28 CCCSCc1ccncc1 62a_100000210303_100015193705 [0,0,1,0,0,0|3,0,0]=4 458 B11R1.28 CCCSCc1ccncc1 62a_100015193705_100000210303 [0,0,1,0,0,0|3,0,0]=4 459 B11R1.28 CCCSCc1cnccn1 62a_100000210303_100016995436 [0,0,1,0,0,0|2,0,0]=3 460 B11R1.28 CCCSCc1cnccn1 62a_100016995436_100000210303 [0,0,1,0,0,0|2,0,0]=3 461 B11R1.28 CCCSCc1cncnc1 62a_100000210303_100015196519 [0,0,1,0,0,0|2,0,0]=3 462 B11R1.28 CCCSCc1cncnc1 62a_100015196519_100000210303 [0,0,1,0,0,0|2,0,0]=3 463 B11R1.28 CCNCCc1ccccc1 2230a_100000106460_100000210202 [0,0,1,0,0,0|3,0,0]=4 464 B11R1.28 CCNCCc1ccccc1 2230a_100015525214_100000765856 [0,0,1,0,0,0|3,0,0]=4 465 B11R1.28 CCNCCc1ccccc1 34a_100000106460_100000210202 [0,0,1,0,0,0|3,0,0]=4 466 B11R1.28 CCNCCc1cccnc1 2230a_100000736294_100000210202 [0,0,1,0,0,0|2,0,0]=3 467 B11R1.28 CCNCCc1cccnc1 2230a_100015525214_200011713674 [0,0,1,0,0,0|2,0,0]=3 468 B11R1.28 CCNN=Cc1cccnc1 4a_100000756455_100000209961 [0,0,1,0,0,0|1,0,2]=4 469 B11R1.28 CCOC=Cc1cccnc1 271570a_100016256518_100000752921 [0,0,1,0,0,0|2,0,1]=4 470 B11R1.28 CCOCCc1ccccc1 34a_100000210268_100000210202 [0,0,1,0,0,0|3,0,0]=4 471 B11R1.28 CCOCCc1ccccc1 34a_100121572206_100000765856 [0,0,1,0,0,0|3,0,0]=4 472 B11R1.28 CCOCCc1ccccc1 7a_100000210268_100000210202 [0,0,1,0,0,0|3,0,0]=4 473 B11R1.28 CCOCCc1cccnc1 34a_100011217484_100000210202 [0,0,1,0,0,0|2,0,0]=3 474 B11R1.28 CCOCCc1cnccn1 34a_100011349526_100000210202 [0,0,1,0,0,0|3,0,0]=4 475 B11R1.28 CCOCCc1cncnc1 34a_100011709255_100000210202 [0,0,1,0,0,0|3,0,0]=4 476 B11R1.28 CCOCSc1cccnc1 62a_100000210063_100000739092 [0,0,1,0,0,0|3,0,0]=4 477 B11R1.28 CCOCSc1cccnc1 62a_100000739092_100000210063 [0,0,1,0,0,0|3,0,0]=4 478 B11R1.28 CCSCCc1ccccc1 62a_100000210202_100011218657 [0,0,1,0,0,0|3,0,0]=4 479 B11R1.28 CCSCCc1ccccc1 62a_100000765856_100000210202 [0,0,1,0,0,0|3,0,0]=4 480 B11R1.28 CCSCCc1cccnc1 62a_100000210202_200011713674 [0,0,1,0,0,0|2,0,0]=3 481 B11R1.28 CCSCCc1cccnc1 62a_200011713674_100000210202 [0,0,1,0,0,0|2,0,0]=3 482 B11R1.28 CNCCCc1ccccc1 2230a_100000211184_200000210301 [0,0,1,0,0,0|3,0,0]=4 483 B11R1.28 CNCCCc1ccccc1 2230a_106832991635_100000211621 [0,0,1,0,0,0|3,0,0]=4 484 B11R1.28 CNCCCc1ccccc1 34a_100000211184_200000210301 [0,0,1,0,0,0|3,0,0]=4 485 B11R1.28 CNCCCc1ccccc1 34a_100102657272_100000211621 [0,0,1,0,0,0|3,0,0]=4 486 B11R1.28 CNCCCc1ccccc1 7a_106832991635_100000211621 [0,0,1,0,0,0|3,0,0]=4 487 B11R1.28 CNCCCc1cccnc1 2230a_100011532358_200000210301 [0,0,1,0,0,0|2,0,0]=3 488 B11R1.28 CNCCCc1cccnc1 34a_100011532358_200000210301 [0,0,1,0,0,0|2,0,0]=3 489 B11R1.28 CNCCOc1cccnc1 2230a_100000754688_200000210301 [0,0,1,0,0,0|3,0,0]=4 490 B11R1.28 CNCOCc1ccccc1 2230a_106832991635_100000763385 [0,0,1,0,0,0|3,0,0]=4 491 B11R1.28 CNCOCc1ccccc1 34a_100102657272_100000763385 [0,0,1,0,0,0|3,0,0]=4 492 B11R1.28 CNCSCc1ccccc1 2230a_106832991635_200011217039 [0,0,1,0,0,0|3,0,0]=4 493 B11R1.28 CNCSCc1ccccc1 34a_100102657272_200011217039 [0,0,1,0,0,0|3,0,0]=4 494 B11R1.28 COC/C=C/c1cccnc1 34a_200102594124_200000210301 [0,0,1,0,0,0|2,0,1]=4 495 B11R1.28 COCC#Cc1cccnc1 34a_100011376247_200000210301 [0,0,1,0,0,0|2,0,1]=4 496 B11R1.28 COCC=Cc1cccnc1 271570a_100016286323_100000752921 [0,0,1,0,0,0|2,0,1]=4 497 B11R1.28 COCCCc1ccccc1 34a_100000210828_200000210301 [0,0,1,0,0,0|3,0,0]=4 498 B11R1.28 COCCCc1ccccc1 34a_100138415774_100000211621 [0,0,1,0,0,0|3,0,0]=4 499 B11R1.28 COCCCc1ccccc1 7a_100000210828_200000210301 [0,0,1,0,0,0|3,0,0]=4 500 B11R1.28 COCCCc1cccnc1 34a_100000211284_200000210301 [0,0,1,0,0,0|2,0,0]=3 501 B11R1.28 COCCOc1cccnc1 34a_100000210849_100011201679 [0,0,1,0,0,0|3,0,0]=4 502 B11R1.28 COCCOc1cccnc1 7a_100000210849_100000233755 [0,0,1,0,0,0|3,0,0]=4 503 B11R1.28 COCCSc1cccnc1 62a_100000210063_100000233755 [0,0,1,0,0,0|3,0,0]=4 504 B11R1.28 COCCSc1cccnc1 62a_100000233755_100000210063 [0,0,1,0,0,0|3,0,0]=4 505 B11R1.28 COCNCc1ccccc1 2230a_100015324214_100000766300 [0,0,1,0,0,0|2,0,0]=3 506 B11R1.28 COCNCc1cccnn1 2230a_100159270163_100000766300 [0,0,1,0,0,0|2,0,0]=3 507 B11R1.28 COCNCc1cncnc1 2230a_100011243677_100000766300 [0,0,1,0,0,0|2,0,0]=3 508 B11R1.28 COCOCc1ccccc1 34a_100138415774_100000763385 [0,0,1,0,0,0|3,0,0]=4 509 B11R1.28 COCSCc1ccccc1 34a_100138415774_200011217039 [0,0,1,0,0,0|3,0,0]=4 510 B11R1.28 COCSCc1ccccc1 62a_100000211182_100000766300 [0,0,1,0,0,0|3,0,0]=4 511 B11R1.28 COCSCc1ccccc1 62a_100000766300_100015291786 [0,0,1,0,0,0|3,0,0]=4 512 B11R1.28 COCSCc1cccnc1 62a_100000741622_100000766300 [0,0,1,0,0,0|2,0,0]=3 513 B11R1.28 COCSCc1cccnc1 62a_100000766300_100000741622 [0,0,1,0,0,0|2,0,0]=3 514 B11R1.28 COCSCc1cccnn1 62a_100000766300_100016990269 [0,0,1,0,0,0|3,0,0]=4 515 B11R1.28 COCSCc1cccnn1 62a_100016990269_100000766300 [0,0,1,0,0,0|3,0,0]=4 516 B11R1.28 COCSCc1cnccn1 62a_100000766300_100016995436 [0,0,1,0,0,0|3,0,0]=4 517 B11R1.28 COCSCc1cnccn1 62a_100016995436_100000766300 [0,0,1,0,0,0|3,0,0]=4 518 B11R1.28 COCSCc1cncnc1 62a_100000766300_100015196519 [0,0,1,0,0,0|3,0,0]=4 519 B11R1.28 COCSCc1cncnc1 62a_100015196519_100000766300 [0,0,1,0,0,0|3,0,0]=4 520 B11R1.28 CSCCCc1ccccc1 62a_100000211621_200000210301 [0,0,1,0,0,0|3,0,0]=4 521 B11R1.28 CSCCCc1ccccc1 62a_200000210301_100000211621 [0,0,1,0,0,0|3,0,0]=4 522 B11R1.28 CSCCOc1cccnc1 34a_100000210849_100000212216 [0,0,1,0,0,0|3,0,0]=4 523 B11R1.28 CSCCOc1cccnc1 7a_100000210849_100000212216 [0,0,1,0,0,0|3,0,0]=4 524 B11R1.28 CSCCSc1cccnc1 62a_100000210063_100000751147 [0,0,1,0,0,0|3,0,0]=4 525 B11R1.28 CSCCSc1cccnc1 62a_100000212216_100000210063 [0,0,1,0,0,0|3,0,0]=4 526 B11R1.28 CSCNCc1ccccc1 2230a_100015324214_100011218213 [0,0,1,0,0,0|2,0,0]=3 527 B11R1.28 CSCNCc1ccccc1 34a_100015324214_100011218213 [0,0,1,0,0,0|2,0,0]=3 528 B11R1.28 CSCNCc1cccnn1 2230a_100159270163_100011218213 [0,0,1,0,0,0|2,0,0]=3 529 B11R1.28 CSCNCc1cncnc1 2230a_100011243677_100011218213 [0,0,1,0,0,0|2,0,0]=3 530 B11R1.28 CSCOCc1ccccc1 34a_100000210790_100011218213 [0,0,1,0,0,0|3,0,0]=4 531 B11R1.28 CSCOCc1ccccc1 62a_100000763385_200000210301 [0,0,1,0,0,0|3,0,0]=4 532 B11R1.28 CSCOCc1ccccc1 62a_200000210301_100000763385 [0,0,1,0,0,0|3,0,0]=4 533 B11R1.28 CSCSCc1ccccc1 62a_100000211182_100011218213 [0,0,1,0,0,0|3,0,0]=4 534 B11R1.28 CSCSCc1ccccc1 62a_100011218213_100015291786 [0,0,1,0,0,0|3,0,0]=4 535 B11R1.28 CSCSCc1ccccc1 62a_200000210301_200011217039 [0,0,1,0,0,0|3,0,0]=4 536 B11R1.28 CSCSCc1ccccc1 62a_200011217039_200000210301 [0,0,1,0,0,0|3,0,0]=4 537 B11R1.28 CSCSCc1cccnc1 62a_100000741622_100011218213 [0,0,1,0,0,0|2,0,0]=3 538 B11R1.28 CSCSCc1cccnc1 62a_100011218213_100000741622 [0,0,1,0,0,0|2,0,0]=3 539 B11R1.28 CSCSCc1cccnn1 62a_100011218213_100016990269 [0,0,1,0,0,0|3,0,0]=4 540 B11R1.28 CSCSCc1cccnn1 62a_100016990269_100011218213 [0,0,1,0,0,0|3,0,0]=4 541 B11R1.28 CSCSCc1cnccn1 62a_100011218213_100016995436 [0,0,1,0,0,0|3,0,0]=4 542 B11R1.28 CSCSCc1cnccn1 62a_100016995436_100011218213 [0,0,1,0,0,0|3,0,0]=4 543 B11R1.28 CSCSCc1cncnc1 62a_100011218213_100015196519 [0,0,1,0,0,0|3,0,0]=4 544 B11R1.28 CSCSCc1cncnc1 62a_100015196519_100011218213 [0,0,1,0,0,0|3,0,0]=4 545 B11R1.28 FCCCNc1ccccc1 34a_100000106764_100011934791 [0,0,1,0,0,0|3,0,0]=4 546 B11R1.28 FCCCNc1cccnn1 27a_100015189416_100016991348 [0,0,1,0,0,0|3,0,0]=4 547 B11R1.28 FCCCNc1cnccn1 27a_100015189416_100000211759 [0,0,1,0,0,0|3,0,0]=4 548 B11R1.28 FCCCOc1ccccc1 34a_100000210340_100011934791 [0,0,1,0,0,0|3,0,0]=4 549 B11R1.28 FCCCOc1ccccc1 7a_100000210340_100011934791 [0,0,1,0,0,0|3,0,0]=4 550 B11R1.28 FCCCOc1cccnc1 34a_100000210849_100011934791 [0,0,1,0,0,0|2,0,0]=3 551 B11R1.28 FCCCOc1cccnc1 7a_100000210849_100011934791 [0,0,1,0,0,0|2,0,0]=3 552 B11R1.28 FCCCOc1ccnnc1 34a_100015204005_100011934791 [0,0,1,0,0,0|3,0,0]=4 553 B11R1.28 FCCCOc1cncnc1 7a_100000754086_100011934791 [0,0,1,0,0,0|3,0,0]=4 554 B11R1.28 FCCCSc1ccccc1 62a_100000719477_100011934791 [0,0,1,0,0,0|3,0,0]=4 555 B11R1.28 FCCCSc1ccccc1 62a_100011934791_100000041952 [0,0,1,0,0,0|3,0,0]=4 556 B11R1.28 FCCCSc1cccnc1 62a_100000210063_100011934791 [0,0,1,0,0,0|2,0,0]=3 557 B11R1.28 FCCCSc1cccnc1 62a_100011934791_100000210063 [0,0,1,0,0,0|2,0,0]=3 558 B11R1.28 FCCCSc1cccnn1 62a_100011934791_100016991348 [0,0,1,0,0,0|3,0,0]=4 559 B11R1.28 FCCCSc1cccnn1 62a_100016991348_100011934791 [0,0,1,0,0,0|3,0,0]=4 560 B11R1.28 FCCCSc1ccnnc1 62a_100000732662_100011934791 [0,0,1,0,0,0|3,0,0]=4 561 B11R1.28 FCCCSc1ccnnc1 62a_100011934791_100000732662 [0,0,1,0,0,0|3,0,0]=4 562 B11R1.28 FCCCSc1cnccn1 62a_100000211759_100011934791 [0,0,1,0,0,0|3,0,0]=4 563 B11R1.28 FCCCSc1cnccn1 62a_100011934791_100000211759 [0,0,1,0,0,0|3,0,0]=4 564 B11R1.28 FCCCSc1cncnc1 62a_100011206942_100011934791 [0,0,1,0,0,0|3,0,0]=4 565 B11R1.28 FCCCSc1cncnc1 62a_100011934791_100011206942 [0,0,1,0,0,0|3,0,0]=4 566 B11R1.28 FCCNCc1ccccc1 2230a_100015324214_100011217306 [0,0,1,0,0,0|2,0,0]=3 567 B11R1.28 FCCNCc1ccccc1 34a_100000724931_100015291786 [0,0,1,0,0,0|2,0,0]=3 568 B11R1.28 FCCNCc1ccccc1 34a_100015324214_100011217306 [0,0,1,0,0,0|2,0,0]=3 569 B11R1.28 FCCNCc1ccccn1 34a_100000724931_100000721315 [0,0,1,0,0,0|3,0,0]=4 570 B11R1.28 FCCNCc1cccnc1 34a_100000724931_100000733263 [0,0,1,0,0,0|1,0,0]=2 571 B11R1.28 FCCNCc1cccnn1 2230a_100159270163_100011217306 [0,0,1,0,0,0|2,0,0]=3 572 B11R1.28 FCCNCc1cccnn1 34a_100000724931_100016990269 [0,0,1,0,0,0|2,0,0]=3 573 B11R1.28 FCCNCc1cnccn1 34a_100000724931_100016995436 [0,0,1,0,0,0|2,0,0]=3 574 B11R1.28 FCCNCc1cncnc1 2230a_100011243677_100011217306 [0,0,1,0,0,0|2,0,0]=3 575 B11R1.28 FCCNCc1cncnc1 34a_100000724931_100015196519 [0,0,1,0,0,0|2,0,0]=3 576 B11R1.28 FCCOCc1ccccc1 34a_100000210790_100011217306 [0,0,1,0,0,0|3,0,0]=4 577 B11R1.28 FCCOCc1ccccc1 7a_100000210790_100011217306 [0,0,1,0,0,0|3,0,0]=4 578 B11R1.28 FCCSCc1ccccc1 62a_100000211182_100011217306 [0,0,1,0,0,0|3,0,0]=4 579 B11R1.28 FCCSCc1ccccc1 62a_100011217306_100015291786 [0,0,1,0,0,0|3,0,0]=4 580 B11R1.28 FCCSCc1cccnc1 62a_100000741622_100011217306 [0,0,1,0,0,0|2,0,0]=3 581 B11R1.28 FCCSCc1cccnc1 62a_100011217306_100000741622 [0,0,1,0,0,0|2,0,0]=3 582 B11R1.28 FCCSCc1cccnn1 62a_100011217306_100016990269 [0,0,1,0,0,0|3,0,0]=4 583 B11R1.28 FCCSCc1cccnn1 62a_100016990269_100011217306 [0,0,1,0,0,0|3,0,0]=4 584 B11R1.28 FCCSCc1cnccn1 62a_100011217306_100016995436 [0,0,1,0,0,0|3,0,0]=4 585 B11R1.28 FCCSCc1cnccn1 62a_100016995436_100011217306 [0,0,1,0,0,0|3,0,0]=4 586 B11R1.28 FCCSCc1cncnc1 62a_100011217306_100015196519 [0,0,1,0,0,0|3,0,0]=4 587 B11R1.28 FCCSCc1cncnc1 62a_100015196519_100011217306 [0,0,1,0,0,0|3,0,0]=4 588 B11R1.28 FCNCCc1ccccc1 34a_100000106460_100015361967 [0,0,1,0,0,0|3,0,0]=4 589 B11R1.28 FCOCCc1ccccc1 34a_100000210268_100015361967 [0,0,1,0,0,0|3,0,0]=4 590 B11R1.28 FCOCCc1ccccc1 7a_100000210268_100015361967 [0,0,1,0,0,0|3,0,0]=4 591 B11R1.28 FCOCCc1cccnc1 34a_100011217484_100015361967 [0,0,1,0,0,0|2,0,0]=3 592 B11R1.28 FCOCCc1cnccn1 34a_100011349526_100015361967 [0,0,1,0,0,0|3,0,0]=4 593 B11R1.28 FCOCCc1cncnc1 34a_100011709255_100015361967 [0,0,1,0,0,0|3,0,0]=4 594 B11R1.28 FCSCCc1ccccc1 62a_100000765856_100015361967 [0,0,1,0,0,0|3,0,0]=4 595 B11R1.28 FCSCCc1ccccc1 62a_100015361967_100011218657 [0,0,1,0,0,0|3,0,0]=4 596 B11R1.28 FCSCCc1cccnc1 62a_100015361967_200011713674 [0,0,1,0,0,0|2,0,0]=3 597 B11R1.28 FCSCCc1cccnc1 62a_200011713674_100015361967 [0,0,1,0,0,0|2,0,0]=3 598 B11R1.28 N#CCCOc1cccnc1 7a_100000210849_100000184422 [0,0,1,0,0,0|1,0,2]=4 599 B11R1.28 N#CCCSc1cccnc1 62a_100000210063_100011215226 [0,0,1,0,0,0|1,0,2]=4 600 B11R1.28 N#CCCSc1cccnc1 62a_100011215226_100000210063 [0,0,1,0,0,0|1,0,2]=4 601 B11R1.28 N#CCNCc1ccccc1 2230a_100015324214_100011215382 [0,0,1,0,0,0|2,0,1]=4 602 B11R1.28 N#CCNCc1cccnn1 2230a_100159270163_100011215382 [0,0,1,0,0,0|2,0,1]=4 603 B11R1.28 N#CCNCc1cncnc1 2230a_100011243677_100011215382 [0,0,1,0,0,0|2,0,1]=4 604 B11R1.28 N#CCSCc1cccnc1 62a_100000741622_100011215382 [0,0,1,0,0,0|1,0,2]=4 605 B11R1.28 N#CCSCc1cccnc1 62a_100011215382_100000741622 [0,0,1,0,0,0|1,0,2]=4 606 B11R1.28 NCCOCc1ccccc1 34a_100000210304_100015291786 [0,0,1,0,0,0|2,0,0]=3 607 B11R1.28 NCCOCc1ccccn1 34a_100000210304_100000721315 [0,0,1,0,0,0|3,0,0]=4 608 B11R1.28 NCCOCc1cccnc1 34a_100000210304_100000733263 [0,0,1,0,0,0|1,0,0]=2 609 B11R1.28 NCCOCc1cccnn1 34a_100000210304_100016990269 [0,0,1,0,0,0|2,0,0]=3 610 B11R1.28 NCCOCc1cnccn1 34a_100000210304_100016995436 [0,0,1,0,0,0|2,0,0]=3 611 B11R1.28 NCCOCc1cncnc1 34a_100000210304_100015196519 [0,0,1,0,0,0|2,0,0]=3 612 B11R1.28 O=CCNCc1ccccc1 2230a_100015324214_200015260668 [0,0,1,0,0,0|2,0,1]=4 613 B11R1.28 O=CCNCc1ccccc1 34a_100015324214_200009817547 [0,0,1,0,0,0|2,0,1]=4 614 B11R1.28 O=CCNCc1cccnn1 2230a_100159270163_200015260668 [0,0,1,0,0,0|2,0,1]=4 615 B11R1.28 O=CCNCc1cncnc1 2230a_100011243677_200015260668 [0,0,1,0,0,0|2,0,1]=4 616 B11R1.28 O=CCSCc1cccnc1 62a_100000741622_200015260668 [0,0,1,0,0,0|2,0,1]=4 617 B11R1.28 O=CCSCc1cccnc1 62a_200015260668_100000741622 [0,0,1,0,0,0|2,0,1]=4 618 B11R1.28 OCCCNc1ccccc1 34a_100000106764_100000230001 [0,0,1,0,0,0|3,0,0]=4 619 B11R1.28 OCCCNc1cccnn1 27a_100000182051_100016991348 [0,0,1,0,0,0|3,0,0]=4 620 B11R1.28 OCCCNc1cnccn1 27a_100000182051_100000211759 [0,0,1,0,0,0|3,0,0]=4 621 B11R1.28 OCCCOc1ccccc1 34a_100000210340_100000230001 [0,0,1,0,0,0|3,0,0]=4 622 B11R1.28 OCCCOc1ccccc1 7a_100000210340_100011215043 [0,0,1,0,0,0|3,0,0]=4 623 B11R1.28 OCCCOc1cccnc1 34a_100000210849_100000230001 [0,0,1,0,0,0|2,0,0]=3 624 B11R1.28 OCCCOc1cccnc1 7a_100000210849_100011215043 [0,0,1,0,0,0|2,0,0]=3 625 B11R1.28 OCCCOc1ccnnc1 34a_100015204005_100000230001 [0,0,1,0,0,0|3,0,0]=4 626 B11R1.28 OCCCOc1cncnc1 7a_100000754086_100011215043 [0,0,1,0,0,0|3,0,0]=4 627 B11R1.28 OCCCSc1ccccc1 62a_100000719477_100011215043 [0,0,1,0,0,0|3,0,0]=4 628 B11R1.28 OCCCSc1ccccc1 62a_100011215043_100000041952 [0,0,1,0,0,0|3,0,0]=4 629 B11R1.28 OCCCSc1cccnc1 62a_100000210063_100011215043 [0,0,1,0,0,0|2,0,0]=3 630 B11R1.28 OCCCSc1cccnc1 62a_100011215043_100000210063 [0,0,1,0,0,0|2,0,0]=3 631 B11R1.28 OCCCSc1cccnn1 62a_100011215043_100016991348 [0,0,1,0,0,0|3,0,0]=4 632 B11R1.28 OCCCSc1cccnn1 62a_100016991348_100011215043 [0,0,1,0,0,0|3,0,0]=4 633 B11R1.28 OCCCSc1ccnnc1 62a_100000732662_100011215043 [0,0,1,0,0,0|3,0,0]=4 634 B11R1.28 OCCCSc1ccnnc1 62a_100011215043_100000732662 [0,0,1,0,0,0|3,0,0]=4 635 B11R1.28 OCCCSc1cnccn1 62a_100000211759_100011215043 [0,0,1,0,0,0|3,0,0]=4 636 B11R1.28 OCCCSc1cnccn1 62a_100011215043_100000211759 [0,0,1,0,0,0|3,0,0]=4 637 B11R1.28 OCCCSc1cncnc1 62a_100011206942_100011215043 [0,0,1,0,0,0|3,0,0]=4 638 B11R1.28 OCCCSc1cncnc1 62a_100011215043_100011206942 [0,0,1,0,0,0|3,0,0]=4 639 B11R1.28 OCCNCc1ccccc1 207a_100000210304_100015611070 [0,0,1,0,0,0|2,0,0]=3 640 B11R1.28 OCCNCc1ccccc1 2230a_100015324214_100000211926 [0,0,1,0,0,0|2,0,0]=3 641 B11R1.28 OCCNCc1ccccc1 2230a_100016997473_100015291786 [0,0,1,0,0,0|2,0,0]=3 642 B11R1.28 OCCNCc1ccccc1 270004a_100000210304_100015611070 [0,0,1,0,0,0|2,0,0]=3 643 B11R1.28 OCCNCc1ccccc1 34a_100015324214_100000211926 [0,0,1,0,0,0|2,0,0]=3 644 B11R1.28 OCCNCc1ccccc1 34a_100016990907_100015291786 [0,0,1,0,0,0|2,0,0]=3 645 B11R1.28 OCCNCc1ccccn1 207a_100000210304_100000209966 [0,0,1,0,0,0|3,0,0]=4 646 B11R1.28 OCCNCc1ccccn1 2230a_100016997473_100000721315 [0,0,1,0,0,0|3,0,0]=4 647 B11R1.28 OCCNCc1ccccn1 270004a_100000210304_100000209966 [0,0,1,0,0,0|3,0,0]=4 648 B11R1.28 OCCNCc1ccccn1 34a_100016990907_100000721315 [0,0,1,0,0,0|3,0,0]=4 649 B11R1.28 OCCNCc1cccnc1 207a_100000210304_100000209961 [0,0,1,0,0,0|1,0,0]=2 650 B11R1.28 OCCNCc1cccnc1 2230a_100016997473_100000741622 [0,0,1,0,0,0|1,0,0]=2 651 B11R1.28 OCCNCc1cccnc1 270004a_100000210304_100000209961 [0,0,1,0,0,0|1,0,0]=2 652 B11R1.28 OCCNCc1cccnc1 34a_100016990907_100000733263 [0,0,1,0,0,0|1,0,0]=2 653 B11R1.28 OCCNCc1cccnn1 2230a_100016997473_100016990269 [0,0,1,0,0,0|2,0,0]=3 654 B11R1.28 OCCNCc1cccnn1 2230a_100159270163_100000211926 [0,0,1,0,0,0|2,0,0]=3 655 B11R1.28 OCCNCc1cccnn1 34a_100016990907_100016990269 [0,0,1,0,0,0|2,0,0]=3 656 B11R1.28 OCCNCc1ccncc1 207a_100000210304_100000186114 [0,0,1,0,0,0|3,0,0]=4 657 B11R1.28 OCCNCc1ccncc1 2230a_100016997473_100015193705 [0,0,1,0,0,0|3,0,0]=4 658 B11R1.28 OCCNCc1ccnnc1 270004a_100000210304_100011934578 [0,0,1,0,0,0|2,0,0]=3 659 B11R1.28 OCCNCc1cnccn1 2230a_100016997473_100016995436 [0,0,1,0,0,0|2,0,0]=3 660 B11R1.28 OCCNCc1cnccn1 270004a_100000210304_100000749867 [0,0,1,0,0,0|2,0,0]=3 661 B11R1.28 OCCNCc1cnccn1 34a_100016990907_100016995436 [0,0,1,0,0,0|2,0,0]=3 662 B11R1.28 OCCNCc1cncnc1 2230a_100011243677_100000211926 [0,0,1,0,0,0|2,0,0]=3 663 B11R1.28 OCCNCc1cncnc1 2230a_100016997473_100015196519 [0,0,1,0,0,0|2,0,0]=3 664 B11R1.28 OCCNCc1cncnc1 270004a_100000210304_100000749868 [0,0,1,0,0,0|2,0,0]=3 665 B11R1.28 OCCNCc1cncnc1 34a_100016990907_100015196519 [0,0,1,0,0,0|2,0,0]=3 666 B11R1.28 OCCOCc1ccccc1 34a_100000210790_100000211926 [0,0,1,0,0,0|3,0,0]=4 667 B11R1.28 OCCOCc1ccccc1 7a_100000210790_100000211926 [0,0,1,0,0,0|3,0,0]=4 668 B11R1.28 OCCSCc1ccccc1 62a_100000211182_100000211926 [0,0,1,0,0,0|3,0,0]=4 669 B11R1.28 OCCSCc1ccccc1 62a_100000211926_100015291786 [0,0,1,0,0,0|3,0,0]=4 670 B11R1.28 OCCSCc1cccnc1 62a_100000211926_100000741622 [0,0,1,0,0,0|2,0,0]=3 671 B11R1.28 OCCSCc1cccnc1 62a_100000741622_100000211926 [0,0,1,0,0,0|2,0,0]=3 672 B11R1.28 OCCSCc1cccnn1 62a_100000211926_100016990269 [0,0,1,0,0,0|3,0,0]=4 673 B11R1.28 OCCSCc1cccnn1 62a_100016990269_100000211926 [0,0,1,0,0,0|3,0,0]=4 674 B11R1.28 OCCSCc1cnccn1 62a_100000211926_100016995436 [0,0,1,0,0,0|3,0,0]=4 675 B11R1.28 OCCSCc1cnccn1 62a_100016995436_100000211926 [0,0,1,0,0,0|3,0,0]=4 676 B11R1.28 OCCSCc1cncnc1 62a_100000211926_100015196519 [0,0,1,0,0,0|3,0,0]=4 677 B11R1.28 OCCSCc1cncnc1 62a_100015196519_100000211926 [0,0,1,0,0,0|3,0,0]=4 678 B11R1.28 [13CH3]NCCCc1ccccc1 2230a_100000211184_200025704644 [0,0,1,0,0,0|3,0,0]=4 679 B11R1.28 [13CH3]NCCCc1ccccc1 34a_100000211184_200025704644 [0,0,1,0,0,0|3,0,0]=4 680 B11R1.28 [13CH3]NCCCc1cccnc1 2230a_100011532358_200025704644 [0,0,1,0,0,0|2,0,0]=3 681 B11R1.28 [13CH3]NCCCc1cccnc1 34a_100011532358_200025704644 [0,0,1,0,0,0|2,0,0]=3 682 B11R1.28 [13CH3]NCCOc1cccnc1 2230a_100000754688_200025704644 [0,0,1,0,0,0|3,0,0]=4 683 B11R1.28 [13CH3]OC/C=C/c1cccnc1 34a_200102594124_200025704644 [0,0,1,0,0,0|2,0,1]=4 684 B11R1.28 [13CH3]OCC#Cc1cccnc1 34a_100011376247_200025704644 [0,0,1,0,0,0|2,0,1]=4 685 B11R1.28 [13CH3]OCCCc1ccccc1 34a_100000210828_200025704644 [0,0,1,0,0,0|3,0,0]=4 686 B11R1.28 [13CH3]OCCCc1ccccc1 7a_100000210828_200025704644 [0,0,1,0,0,0|3,0,0]=4 687 B11R1.28 [13CH3]OCCCc1cccnc1 34a_100000211284_200025704644 [0,0,1,0,0,0|2,0,0]=3 688 B11R1.28 [13CH3]SCCCc1ccccc1 62a_100000211621_200025704644 [0,0,1,0,0,0|3,0,0]=4 689 B11R1.28 [13CH3]SCCCc1ccccc1 62a_200025704644_100000211621 [0,0,1,0,0,0|3,0,0]=4 690 B11R1.28 [13CH3]SCOCc1ccccc1 62a_100000763385_200025704644 [0,0,1,0,0,0|3,0,0]=4 691 B11R1.28 [13CH3]SCOCc1ccccc1 62a_200025704644_100000763385 [0,0,1,0,0,0|3,0,0]=4 692 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200011217039_200025704644 [0,0,1,0,0,0|3,0,0]=4 693 B11R1.28 [13CH3]SCSCc1ccccc1 62a_200025704644_200011217039 [0,0,1,0,0,0|3,0,0]=4 694 B11R1.29 C=CC=CC(=O)C1CCCC1 1458a_100016291481_100000179811 [0,0,1,0,0,0|3,0,0]=4 695 B11R2.2 C1=C(CCC1)c2c[nH]cn2 271570a_100000089523_100000756875 [0,0,0,0,1,0|2,0,1]=4 696 B11R2.2 C1=C(CCC1)c2cc[nH]n2 271570a_100000089523_100000062575 [0,0,0,0,1,0|2,0,1]=4 697 B11R2.2 C1=C(CCC1)c2ccco2 271570a_100000089523_100009814098 [0,0,0,0,1,0|2,0,1]=4 698 B11R2.2 C1=C(CCC1)c2cccs2 271570a_100000089523_100011215356 [0,0,0,0,1,0|2,0,1]=4 699 B11R2.2 C1=C(CCC1)c2ccoc2 271570a_100000089523_100011215275 [0,0,0,0,1,0|2,0,1]=4 700 B11R2.2 C1=C(CCC1)c2ccsc2 271570a_100000089523_100000738268 [0,0,0,0,1,0|2,0,1]=4 701 B11R2.2 C1=C(CCC1)c2ccsn2 271570a_100000089523_100009818082 [0,0,0,0,1,0|2,0,1]=4 702 B11R2.2 C1=C(CCC1)c2cn[nH]c2 271570a_100000089523_100000238712 [0,0,0,0,1,0|2,0,1]=4 703 B11R2.2 C1=C(CCC1)c2cnco2 271570a_100000089523_100020591547 [0,0,0,0,1,0|2,0,1]=4 704 B11R2.2 C1=C(CCC1)c2cncs2 271570a_100000089523_100011934649 [0,0,0,0,1,0|2,0,1]=4 705 B11R2.2 C1=C(CCC1)c2cnoc2 271570a_100000089523_100009815712 [0,0,0,0,1,0|2,0,1]=4 706 B11R2.2 C1=C(CCC1)c2cnsc2 271570a_100000089523_100009815736 [0,0,0,0,1,0|2,0,1]=4 707 B11R2.2 C1=C(CCC1)c2cscn2 271570a_100000089523_100000751502 [0,0,0,0,1,0|2,0,1]=4 708 B11R2.2 C1=C(CCC1)c2ncc[nH]2 271570a_100000089523_100025796157 [0,0,0,0,1,0|2,0,1]=4 709 B11R2.2 C1=C(CCC1)c2ncco2 271570a_100000089523_100011787736 [0,0,0,0,1,0|2,0,1]=4 710 B11R2.2 C1=C(CCC1)c2nccs2 271570a_100000089523_100000211983 [0,0,0,0,1,0|2,0,1]=4 711 B11R2.239 c1cnc(cn1)N2CCC2 27a_100000754969_100000211759 [0,0,0,0,1,0|2,0,0]=3 712 B11R2.239 c1cnnc(c1)N2CCC2 27a_100000754969_100016991348 [0,0,0,0,1,0|2,0,0]=3 713 B13R2.3 C1=C(CCCC1)c2ccccc2 271570a_100000062251_100000210277 [0,0,0,0,0,1|2,0,1]=4 714 B13R2.3 C1=C(CCCC1)c2cccnc2 271570a_100000062251_100000752921 [0,0,0,0,0,1|1,0,1]=3 715 B13R2.3 C1=C(CCCC1)c2cccnn2 271570a_100000062251_100016991348 [0,0,0,0,0,1|2,0,1]=4 716 B13R2.3 C1=C(CCCC1)c2ccnnc2 271570a_100000062251_100000732662 [0,0,0,0,0,1|2,0,1]=4 717 B13R2.3 C1=C(CCCC1)c2cnccn2 271570a_100000062251_100000758340 [0,0,0,0,0,1|2,0,1]=4 718 B13R2.3 C1=C(CCCC1)c2cncnc2 271570a_100000062251_100011206942 [0,0,0,0,0,1|2,0,1]=4 719 B13R2.3 C1=C(CCCO1)c2ccccc2 271570a_100010175576_100000210277 [0,0,0,0,0,1|2,0,1]=4 720 B13R2.3 C1=C(CCCO1)c2cccnc2 271570a_100010175576_100000752921 [0,0,0,0,0,1|1,0,1]=3 721 B13R2.3 C1=C(CCCO1)c2cccnn2 271570a_100010175576_100016991348 [0,0,0,0,0,1|2,0,1]=4 722 B13R2.3 C1=C(CCCO1)c2ccnnc2 271570a_100010175576_100000732662 [0,0,0,0,0,1|2,0,1]=4 723 B13R2.3 C1=C(CCCO1)c2cnccn2 271570a_100010175576_100000758340 [0,0,0,0,0,1|2,0,1]=4 724 B13R2.3 C1=C(CCCO1)c2cncnc2 271570a_100010175576_100011206942 [0,0,0,0,0,1|2,0,1]=4 725 B13R2.3 C1=C(CCNC1)c2ccccc2 271570a_100000731432_100000210277 [0,0,0,0,0,1|2,0,1]=4 726 B13R2.3 C1=C(CCNC1)c2cccnc2 271570a_100000731432_100000752921 [0,0,0,0,0,1|1,0,1]=3 727 B13R2.3 C1=C(CCNC1)c2cccnn2 271570a_100000731432_100016991348 [0,0,0,0,0,1|2,0,1]=4 728 B13R2.3 C1=C(CCNC1)c2ccnnc2 271570a_100000731432_100000732662 [0,0,0,0,0,1|2,0,1]=4 729 B13R2.3 C1=C(CCNC1)c2cnccn2 271570a_100000731432_100000758340 [0,0,0,0,0,1|2,0,1]=4 730 B13R2.3 C1=C(CCNC1)c2cncnc2 271570a_100000731432_100011206942 [0,0,0,0,0,1|2,0,1]=4 731 B13R2.3 C1=C(CCOC1)c2ccccc2 271570a_100000070234_100000210277 [0,0,0,0,0,1|2,0,1]=4 732 B13R2.3 C1=C(CCOC1)c2cccnc2 271570a_100000070234_100000752921 [0,0,0,0,0,1|1,0,1]=3 733 B13R2.3 C1=C(CCOC1)c2cccnn2 271570a_100000070234_100016991348 [0,0,0,0,0,1|2,0,1]=4 734 B13R2.3 C1=C(CCOC1)c2ccnnc2 271570a_100000070234_100000732662 [0,0,0,0,0,1|2,0,1]=4 735 B13R2.3 C1=C(CCOC1)c2cnccn2 271570a_100000070234_100000758340 [0,0,0,0,0,1|2,0,1]=4 736 B13R2.3 C1=C(CCOC1)c2cncnc2 271570a_100000070234_100011206942 [0,0,0,0,0,1|2,0,1]=4 737 B13R2.3 C1=C(CCSC1)c2ccccc2 271570a_100010232141_100000210277 [0,0,0,0,0,1|2,0,1]=4 738 B13R2.3 C1=C(CCSC1)c2cccnc2 271570a_100010232141_100000752921 [0,0,0,0,0,1|1,0,1]=3 739 B13R2.3 C1=C(CCSC1)c2cccnn2 271570a_100010232141_100016991348 [0,0,0,0,0,1|2,0,1]=4 740 B13R2.3 C1=C(CCSC1)c2ccnnc2 271570a_100010232141_100000732662 [0,0,0,0,0,1|2,0,1]=4 741 B13R2.3 C1=C(CCSC1)c2cnccn2 271570a_100010232141_100000758340 [0,0,0,0,0,1|2,0,1]=4 742 B13R2.3 C1=C(CCSC1)c2cncnc2 271570a_100010232141_100011206942 [0,0,0,0,0,1|2,0,1]=4 743 B13R2.3 C1=C(OCCC1)c2ccccc2 271570a_100010177797_100000210277 [0,0,0,0,0,1|2,0,1]=4 744 B13R2.3 C1=C(OCCC1)c2cccnc2 271570a_100010177797_100000752921 [0,0,0,0,0,1|1,0,1]=3 745 B13R2.3 C1=C(OCCC1)c2cccnn2 271570a_100010177797_100016991348 [0,0,0,0,0,1|2,0,1]=4 746 B13R2.3 C1=C(OCCC1)c2ccnnc2 271570a_100010177797_100000732662 [0,0,0,0,0,1|2,0,1]=4 747 B13R2.3 C1=C(OCCC1)c2cnccn2 271570a_100010177797_100000758340 [0,0,0,0,0,1|2,0,1]=4 748 B13R2.3 C1=C(OCCC1)c2cncnc2 271570a_100010177797_100011206942 [0,0,0,0,0,1|2,0,1]=4 749 B13R2.3 c1cnc(cn1)N2CCOCC2 27a_100015191051_100000211759 [0,0,0,0,0,1|3,0,0]=4 750 B13R2.3 c1cnc(cn1)N2CCSCC2 27a_100000737611_100000211759 [0,0,0,0,0,1|3,0,0]=4 751 B13R2.3 c1cnnc(c1)N2CCOCC2 27a_100015191051_100016991348 [0,0,0,0,0,1|3,0,0]=4 752 B13R2.3 c1cnnc(c1)N2CCSCC2 27a_100000737611_100016991348 [0,0,0,0,0,1|3,0,0]=4 753 B13R2.64 C(=C1CCCC1)c2ccccc2 271570a_100010378317_100000210277 [0,0,0,0,0,1|2,0,1]=4 754 B13R2.64 C(=C1CCCC1)c2cccnc2 271570a_100010378317_100000752921 [0,0,0,0,0,1|1,0,1]=3 755 B13R2.64 C(=C1CCCC1)c2cccnn2 271570a_100010378317_100016991348 [0,0,0,0,0,1|2,0,1]=4 756 B13R2.64 C(=C1CCCC1)c2ccnnc2 271570a_100010378317_100000732662 [0,0,0,0,0,1|2,0,1]=4 757 B13R2.64 C(=C1CCCC1)c2cnccn2 271570a_100010378317_100000758340 [0,0,0,0,0,1|2,0,1]=4 758 B13R2.64 C(=C1CCCC1)c2cncnc2 271570a_100010378317_100011206942 [0,0,0,0,0,1|2,0,1]=4 759 B13R2.64 c1cc(ccn1)OC2CCCC2 34a_100000212176_100000179811 [0,0,0,0,0,1|3,0,0]=4 760 B13R2.64 c1cc(ccn1)SC2CCCC2 62a_100000728582_100000179811 [0,0,0,0,0,1|3,0,0]=4 761 B13R2.64 c1cc(ccn1)SC2CCCC2 62a_100011217020_100000728582 [0,0,0,0,0,1|3,0,0]=4 762 B13R2.64 c1cc(cnn1)CN2CCCC2 270004a_100000188435_100011934578 [0,0,0,0,0,1|3,0,0]=4 763 B13R2.64 c1cc(cnn1)OC2CCCC2 34a_100015204005_100000179811 [0,0,0,0,0,1|2,0,0]=3 764 B13R2.64 c1cc(cnn1)OC2CCOC2 34a_100015204005_100000690089 [0,0,0,0,0,1|3,0,0]=4 765 B13R2.64 c1cc(cnn1)SC2CCCC2 62a_100000732662_100000179811 [0,0,0,0,0,1|2,0,0]=3 766 B13R2.64 c1cc(cnn1)SC2CCCC2 62a_100011217020_100000732662 [0,0,0,0,0,1|2,0,0]=3 767 B13R2.64 c1cc(cnn1)SC2CCOC2 62a_100000732662_100000690089 [0,0,0,0,0,1|3,0,0]=4 768 B13R2.64 c1ccc(cc1)CN2CCCC2 2230a_100000188435_100015291786 [0,0,0,0,0,1|3,0,0]=4 769 B13R2.64 c1ccc(cc1)CN2CCCC2 269982a_100000188435_100000211182 [0,0,0,0,0,1|3,0,0]=4 770 B13R2.64 c1ccc(cc1)CN2CCCC2 270004a_100000188435_100015611070 [0,0,0,0,0,1|3,0,0]=4 771 B13R2.64 c1ccc(cc1)NC2CCCC2 34a_100000106764_100000179811 [0,0,0,0,0,1|2,0,0]=3 772 B13R2.64 c1ccc(cc1)NC2CCOC2 34a_100000106764_100000690089 [0,0,0,0,0,1|3,0,0]=4 773 B13R2.64 c1ccc(cc1)OC2CCCC2 34a_100000210340_100000179811 [0,0,0,0,0,1|2,0,0]=3 774 B13R2.64 c1ccc(cc1)OC2CCCC2 7a_100000210340_100000179811 [0,0,0,0,0,1|2,0,0]=3 775 B13R2.64 c1ccc(cc1)OC2CCOC2 34a_100000210340_100000690089 [0,0,0,0,0,1|3,0,0]=4 776 B13R2.64 c1ccc(cc1)OC2CCOC2 7a_100000210340_100000731011 [0,0,0,0,0,1|3,0,0]=4 777 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100000719477_100000179811 [0,0,0,0,0,1|2,0,0]=3 778 B13R2.64 c1ccc(cc1)SC2CCCC2 62a_100011217020_100000041952 [0,0,0,0,0,1|2,0,0]=3 779 B13R2.64 c1ccc(cc1)SC2CCOC2 62a_100000719477_100000690089 [0,0,0,0,0,1|3,0,0]=4 780 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011216584_100000179811 [0,0,0,0,0,1|3,0,0]=4 781 B13R2.64 c1ccc(nc1)SC2CCCC2 62a_100011217020_100011216584 [0,0,0,0,0,1|3,0,0]=4 782 B13R2.64 c1cnc(cn1)CN2CCCC2 2230a_100000188435_100016995436 [0,0,0,0,0,1|3,0,0]=4 783 B13R2.64 c1cnc(cn1)CN2CCCC2 269982a_100000188435_100016995436 [0,0,0,0,0,1|3,0,0]=4 784 B13R2.64 c1cnc(cn1)CN2CCCC2 270004a_100000188435_100000749867 [0,0,0,0,0,1|3,0,0]=4 785 B13R2.64 c1cnc(cn1)NC2CCCC2 27a_100000211070_100000211759 [0,0,0,0,0,1|2,0,0]=3 786 B13R2.64 c1cnc(cn1)N[C@@H]2CCOC2 27a_200015188469_100000211759 [0,0,0,0,0,1|3,0,0]=4 787 B13R2.64 c1cnc(cn1)N[C@H]2CCOC2 27a_100015188467_100000211759 [0,0,0,0,0,1|3,0,0]=4 788 B13R2.64 c1cnc(cn1)SC2CCCC2 62a_100000211759_100000179811 [0,0,0,0,0,1|2,0,0]=3 789 B13R2.64 c1cnc(cn1)SC2CCCC2 62a_100011217020_100000211759 [0,0,0,0,0,1|2,0,0]=3 790 B13R2.64 c1cnc(cn1)SC2CCOC2 62a_100000211759_100000690089 [0,0,0,0,0,1|3,0,0]=4 791 B13R2.64 c1cncc(c1)CN2CCCC2 2230a_100000188435_100000741622 [0,0,0,0,0,1|2,0,0]=3 792 B13R2.64 c1cncc(c1)CN2CCCC2 269982a_100000188435_100000733263 [0,0,0,0,0,1|2,0,0]=3 793 B13R2.64 c1cncc(c1)CN2CCCC2 270004a_100000188435_100000209961 [0,0,0,0,0,1|2,0,0]=3 794 B13R2.64 c1cncc(c1)CN2CCSC2 2230a_100011215254_100000741622 [0,0,0,0,0,1|3,0,0]=4 795 B13R2.64 c1cncc(c1)CN2CCSC2 269982a_100011215254_100000733263 [0,0,0,0,0,1|3,0,0]=4 796 B13R2.64 c1cncc(c1)CN2CCSC2 270004a_100011215254_100000209961 [0,0,0,0,0,1|3,0,0]=4 797 B13R2.64 c1cncc(c1)OC2CCCC2 34a_100000210849_100000179811 [0,0,0,0,0,1|1,0,0]=2 798 B13R2.64 c1cncc(c1)OC2CCCC2 7a_100000210849_100000179811 [0,0,0,0,0,1|1,0,0]=2 799 B13R2.64 c1cncc(c1)OC2CCOC2 34a_100000210849_100000690089 [0,0,0,0,0,1|2,0,0]=3 800 B13R2.64 c1cncc(c1)OC2CCOC2 7a_100000210849_100000731011 [0,0,0,0,0,1|2,0,0]=3 801 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100000210063_100000179811 [0,0,0,0,0,1|1,0,0]=2 802 B13R2.64 c1cncc(c1)SC2CCCC2 62a_100011217020_100000210063 [0,0,0,0,0,1|1,0,0]=2 803 B13R2.64 c1cncc(c1)SC2CCOC2 62a_100000210063_100000690089 [0,0,0,0,0,1|2,0,0]=3 804 B13R2.64 c1cnnc(c1)CN2CCCC2 2230a_100000188435_100016990269 [0,0,0,0,0,1|3,0,0]=4 805 B13R2.64 c1cnnc(c1)NC2CCCC2 27a_100000211070_100016991348 [0,0,0,0,0,1|2,0,0]=3 806 B13R2.64 c1cnnc(c1)N[C@@H]2CCOC2 27a_200015188469_100016991348 [0,0,0,0,0,1|3,0,0]=4 807 B13R2.64 c1cnnc(c1)N[C@H]2CCOC2 27a_100015188467_100016991348 [0,0,0,0,0,1|3,0,0]=4 808 B13R2.64 c1cnnc(c1)SC2CCCC2 62a_100011217020_100016991348 [0,0,0,0,0,1|2,0,0]=3 809 B13R2.64 c1cnnc(c1)SC2CCCC2 62a_100016991348_100000179811 [0,0,0,0,0,1|2,0,0]=3 810 B13R2.64 c1cnnc(c1)SC2CCOC2 62a_100016991348_100000690089 [0,0,0,0,0,1|3,0,0]=4 811 B13R2.64 c1ncc(cn1)CN2CCCC2 2230a_100000188435_100015196519 [0,0,0,0,0,1|3,0,0]=4 812 B13R2.64 c1ncc(cn1)CN2CCCC2 269982a_100000188435_100016991940 [0,0,0,0,0,1|3,0,0]=4 813 B13R2.64 c1ncc(cn1)CN2CCCC2 270004a_100000188435_100000749868 [0,0,0,0,0,1|3,0,0]=4 814 B13R2.64 c1ncc(cn1)OC2CCCC2 7a_100000754086_100000179811 [0,0,0,0,0,1|2,0,0]=3 815 B13R2.64 c1ncc(cn1)OC2CCOC2 7a_100000754086_100000731011 [0,0,0,0,0,1|3,0,0]=4 816 B13R2.64 c1ncc(cn1)SC2CCCC2 62a_100011206942_100000179811 [0,0,0,0,0,1|2,0,0]=3 817 B13R2.64 c1ncc(cn1)SC2CCCC2 62a_100011217020_100011206942 [0,0,0,0,0,1|2,0,0]=3 818 B13R2.64 c1ncc(cn1)SC2CCOC2 62a_100011206942_100000690089 [0,0,0,0,0,1|3,0,0]=4 819 B13R2.64 c1nnncc1SC2CCCC2 62a_100009846058_100000179811 [0,0,0,0,0,1|3,0,0]=4 820 B13R2.64 c1nnncc1SC2CCCC2 62a_100011217020_100009846058 [0,0,0,0,0,1|3,0,0]=4 821 B10R1.15 CC(N[13CH3])c1ccccn1 2230a_100000181244_200025704644 [1,0,1,0,0,0|2,0,0]=4 822 B10R1.15 CC(N[13CH3])c1cccnc1 2230a_100000195435_200025704644 [1,0,1,0,0,0|0,0,0]=2 823 B10R1.15 CC(N[13CH3])c1ccncc1 2230a_100000181269_200025704644 [1,0,1,0,0,0|2,0,0]=4 824 B10R1.15 CC(S[13CH3])c1ccccc1 62a_100000230085_200025704644 [1,0,1,0,0,0|2,0,0]=4 825 B10R1.15 CC(S[13CH3])c1ccccc1 62a_200025704644_100000230085 [1,0,1,0,0,0|2,0,0]=4 826 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200000703233_200025704644 [1,0,1,0,0,0|2,0,0]=4 827 B10R1.15 CC(S[13CH3])c1cnccn1 62a_200025704644_200000703233 [1,0,1,0,0,0|2,0,0]=4 828 B10R1.15 CCN(C)c1ccccc1 2230a_100000210012_100000210202 [1,0,1,0,0,0|2,0,0]=4 829 B10R1.15 CCN(C)c1ccccc1 2230a_100000210013_200000210301 [1,0,1,0,0,0|2,0,0]=4 830 B10R1.15 CCN(C)c1ccccc1 269982a_100000210012_100000204670 [1,0,1,0,0,0|2,0,0]=4 831 B10R1.15 CCN(C)c1ccccc1 269982a_100000210013_200000210301 [1,0,1,0,0,0|2,0,0]=4 832 B10R1.15 CCN(C)c1ccccc1 34a_100000210012_100000210202 [1,0,1,0,0,0|2,0,0]=4 833 B10R1.15 CCN(C)c1ccccc1 34a_100000210013_200000210301 [1,0,1,0,0,0|2,0,0]=4 834 B10R1.15 CCN([13CH3])c1ccccc1 2230a_100000210013_200025704644 [1,0,1,0,0,0|2,0,0]=4 835 B10R1.15 CCN([13CH3])c1ccccc1 269982a_100000210013_200025704644 [1,0,1,0,0,0|2,0,0]=4 836 B10R1.15 CCN([13CH3])c1ccccc1 34a_100000210013_200025704644 [1,0,1,0,0,0|2,0,0]=4 837 B10R1.15 CNC(C)c1ccccc1 2230a_106832991635_100000230085 [1,0,1,0,0,0|1,0,0]=3 838 B10R1.15 CNC(C)c1ccccc1 269862a_106832991636_100000185851 [1,0,1,0,0,0|1,0,0]=3 839 B10R1.15 CNC(C)c1ccccc1 34a_100102657272_100000211855 [1,0,1,0,0,0|1,0,0]=3 840 B10R1.15 CNC(C)c1ccccc1 7a_106832991635_100000230085 [1,0,1,0,0,0|1,0,0]=3 841 B10R1.15 CNC(C)c1ccccn1 2230a_100000181244_200000210301 [1,0,1,0,0,0|2,0,0]=4 842 B10R1.15 CNC(C)c1ccccn1 269862a_106832991636_100000210467 [1,0,1,0,0,0|2,0,0]=4 843 B10R1.15 CNC(C)c1cccnc1 2230a_100000195435_200000210301 [1,0,1,0,0,0|0,0,0]=2 844 B10R1.15 CNC(C)c1cccnc1 269862a_106832991636_100000210468 [1,0,1,0,0,0|0,0,0]=2 845 B10R1.15 CNC(C)c1cccnn1 269862a_106832991636_100009866853 [1,0,1,0,0,0|1,0,0]=3 846 B10R1.15 CNC(C)c1ccncc1 2230a_100000181269_200000210301 [1,0,1,0,0,0|2,0,0]=4 847 B10R1.15 CNC(C)c1ccncc1 269862a_106832991636_100000185792 [1,0,1,0,0,0|2,0,0]=4 848 B10R1.15 CNC(C)c1ccnnc1 269862a_106832991636_100012182992 [1,0,1,0,0,0|1,0,0]=3 849 B10R1.15 CNC(C)c1cnccn1 2230a_106832991635_200000703233 [1,0,1,0,0,0|1,0,0]=3 850 B10R1.15 CNC(C)c1cnccn1 269862a_106832991636_100000751083 [1,0,1,0,0,0|1,0,0]=3 851 B10R1.15 CNC(C)c1cnccn1 7a_106832991635_200000703233 [1,0,1,0,0,0|1,0,0]=3 852 B10R1.15 CNC(C)c1cncnc1 269862a_106832991636_100000757475 [1,0,1,0,0,0|1,0,0]=3 853 B10R1.15 CN[C@H](C)c1ccccc1 2230a_100000751104_200000210301 [1,0,1,0,0,0|1,0,0]=3 854 B10R1.15 CN[C@H](C)c1cnccn1 2230a_100020589798_200000210301 [1,0,1,0,0,0|1,0,0]=3 855 B10R1.15 COC(C)c1ccccc1 34a_100138415774_100000211855 [1,0,1,0,0,0|2,0,0]=4 856 B10R1.15 CO[C@H](C)c1ccccc1 34a_100000761318_200000210301 [1,0,1,0,0,0|2,0,0]=4 857 B10R1.15 CO[C@H](C)c1ccccc1 7a_100000761318_200000210301 [1,0,1,0,0,0|2,0,0]=4 858 B10R1.15 CSC(C)c1ccccc1 62a_100000230085_200000210301 [1,0,1,0,0,0|2,0,0]=4 859 B10R1.15 CSC(C)c1ccccc1 62a_200000210301_100000230085 [1,0,1,0,0,0|2,0,0]=4 860 B10R1.15 CSC(C)c1cnccn1 62a_200000210301_200000703233 [1,0,1,0,0,0|2,0,0]=4 861 B10R1.15 CSC(C)c1cnccn1 62a_200000703233_200000210301 [1,0,1,0,0,0|2,0,0]=4 862 B10R1.15 C[C@@H](N[13CH3])c1ccccc1 2230a_100000751104_200025704644 [1,0,1,0,0,0|1,0,0]=3 863 B10R1.15 C[C@@H](N[13CH3])c1cnccn1 2230a_100020589798_200025704644 [1,0,1,0,0,0|1,0,0]=3 864 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 34a_100000761318_200025704644 [1,0,1,0,0,0|2,0,0]=4 865 B10R1.15 C[C@@H](O[13CH3])c1ccccc1 7a_100000761318_200025704644 [1,0,1,0,0,0|2,0,0]=4 866 B10R1.17 CC=NNc1cccnc1 4a_100000728903_200000210099 [1,0,1,0,0,0|1,0,1]=4 867 B10R1.17 CCCCc1ccccc1 271570a_100020621405_100000210277 [1,0,1,0,0,0|1,0,0]=3 868 B10R1.17 CCCCc1ccccn1 271570a_100020621405_100011216584 [1,0,1,0,0,0|2,0,0]=4 869 B10R1.17 CCCCc1cccnc1 271570a_100020621405_100000752921 [1,0,1,0,0,0|0,0,0]=2 870 B10R1.17 CCCCc1cccnn1 271570a_100020621405_100016991348 [1,0,1,0,0,0|1,0,0]=3 871 B10R1.17 CCCCc1ccncc1 271570a_100020621405_100000035832 [1,0,1,0,0,0|2,0,0]=4 872 B10R1.17 CCCCc1ccnnc1 271570a_100020621405_100000732662 [1,0,1,0,0,0|1,0,0]=3 873 B10R1.17 CCCCc1cnccn1 271570a_100020621405_100000758340 [1,0,1,0,0,0|1,0,0]=3 874 B10R1.17 CCCCc1cncnc1 271570a_100020621405_100011206942 [1,0,1,0,0,0|1,0,0]=3 875 B10R1.17 CCCCc1cnnnc1 271570a_100020621405_100009846058 [1,0,1,0,0,0|2,0,0]=4 876 B10R1.17 CCCNc1ccccc1 34a_100000106764_100000210303 [1,0,1,0,0,0|1,0,0]=3 877 B10R1.17 CCCOc1ccccc1 34a_100000210340_100000210303 [1,0,1,0,0,0|2,0,0]=4 878 B10R1.17 CCCOc1ccccc1 7a_100000210340_100000210303 [1,0,1,0,0,0|2,0,0]=4 879 B10R1.17 CCCOc1cccnc1 34a_100000210849_100000210303 [1,0,1,0,0,0|1,0,0]=3 880 B10R1.17 CCCOc1cccnc1 7a_100000210849_100000210303 [1,0,1,0,0,0|1,0,0]=3 881 B10R1.17 CCCOc1ccnnc1 34a_100015204005_100000210303 [1,0,1,0,0,0|2,0,0]=4 882 B10R1.17 CCCOc1cncnc1 7a_100000754086_100000210303 [1,0,1,0,0,0|2,0,0]=4 883 B10R1.17 CCCSc1ccccc1 62a_100000210303_100000041952 [1,0,1,0,0,0|2,0,0]=4 884 B10R1.17 CCCSc1ccccc1 62a_100000719477_100000210303 [1,0,1,0,0,0|2,0,0]=4 885 B10R1.17 CCCSc1cccnc1 62a_100000210063_100000210303 [1,0,1,0,0,0|1,0,0]=3 886 B10R1.17 CCCSc1cccnc1 62a_100000210303_100000210063 [1,0,1,0,0,0|1,0,0]=3 887 B10R1.17 CCCSc1cccnn1 62a_100000210303_100016991348 [1,0,1,0,0,0|2,0,0]=4 888 B10R1.17 CCCSc1cccnn1 62a_100016991348_100000210303 [1,0,1,0,0,0|2,0,0]=4 889 B10R1.17 CCCSc1ccnnc1 62a_100000210303_100000732662 [1,0,1,0,0,0|2,0,0]=4 890 B10R1.17 CCCSc1ccnnc1 62a_100000732662_100000210303 [1,0,1,0,0,0|2,0,0]=4 891 B10R1.17 CCCSc1cnccn1 62a_100000210303_100000211759 [1,0,1,0,0,0|2,0,0]=4 892 B10R1.17 CCCSc1cnccn1 62a_100000211759_100000210303 [1,0,1,0,0,0|2,0,0]=4 893 B10R1.17 CCCSc1cncnc1 62a_100000210303_100011206942 [1,0,1,0,0,0|2,0,0]=4 894 B10R1.17 CCCSc1cncnc1 62a_100011206942_100000210303 [1,0,1,0,0,0|2,0,0]=4 895 B10R1.17 CCNCc1ccccc1 207a_100015525214_100015611070 [1,0,1,0,0,0|1,0,0]=3 896 B10R1.17 CCNCc1ccccc1 2230a_100015324214_100000210202 [1,0,1,0,0,0|1,0,0]=3 897 B10R1.17 CCNCc1ccccc1 2230a_100015525214_100015291786 [1,0,1,0,0,0|1,0,0]=3 898 B10R1.17 CCNCc1ccccc1 270004a_100015525214_100015611070 [1,0,1,0,0,0|1,0,0]=3 899 B10R1.17 CCNCc1ccccc1 34a_100015324214_100000210202 [1,0,1,0,0,0|1,0,0]=3 900 B10R1.17 CCNCc1ccccn1 207a_100015525214_100000209966 [1,0,1,0,0,0|2,0,0]=4 901 B10R1.17 CCNCc1ccccn1 2230a_100015525214_100000721315 [1,0,1,0,0,0|2,0,0]=4 902 B10R1.17 CCNCc1ccccn1 270004a_100015525214_100000209966 [1,0,1,0,0,0|2,0,0]=4 903 B10R1.17 CCNCc1cccnc1 207a_100015525214_100000209961 [1,0,1,0,0,0|0,0,0]=2 904 B10R1.17 CCNCc1cccnc1 2230a_100015525214_100000741622 [1,0,1,0,0,0|0,0,0]=2 905 B10R1.17 CCNCc1cccnc1 270004a_100015525214_100000209961 [1,0,1,0,0,0|0,0,0]=2 906 B10R1.17 CCNCc1cccnn1 2230a_100015525214_100016990269 [1,0,1,0,0,0|1,0,0]=3 907 B10R1.17 CCNCc1cccnn1 2230a_100159270163_100000210202 [1,0,1,0,0,0|1,0,0]=3 908 B10R1.17 CCNCc1ccncc1 207a_100015525214_100000186114 [1,0,1,0,0,0|2,0,0]=4 909 B10R1.17 CCNCc1ccncc1 2230a_100015525214_100015193705 [1,0,1,0,0,0|2,0,0]=4 910 B10R1.17 CCNCc1ccnnc1 270004a_100015525214_100011934578 [1,0,1,0,0,0|1,0,0]=3 911 B10R1.17 CCNCc1cnccn1 2230a_100015525214_100016995436 [1,0,1,0,0,0|1,0,0]=3 912 B10R1.17 CCNCc1cnccn1 270004a_100015525214_100000749867 [1,0,1,0,0,0|1,0,0]=3 913 B10R1.17 CCNCc1cncnc1 2230a_100011243677_100000210202 [1,0,1,0,0,0|1,0,0]=3 914 B10R1.17 CCNCc1cncnc1 2230a_100015525214_100015196519 [1,0,1,0,0,0|1,0,0]=3 915 B10R1.17 CCNCc1cncnc1 270004a_100015525214_100000749868 [1,0,1,0,0,0|1,0,0]=3 916 B10R1.17 CCOCc1ccccc1 34a_100000210790_100000210202 [1,0,1,0,0,0|2,0,0]=4 917 B10R1.17 CCOCc1ccccc1 34a_100121572206_100015291786 [1,0,1,0,0,0|2,0,0]=4 918 B10R1.17 CCOCc1ccccc1 7a_100000210790_100000210202 [1,0,1,0,0,0|2,0,0]=4 919 B10R1.17 CCOCc1cccnc1 34a_100121572206_100000733263 [1,0,1,0,0,0|1,0,0]=3 920 B10R1.17 CCOCc1cccnn1 34a_100121572206_100016990269 [1,0,1,0,0,0|2,0,0]=4 921 B10R1.17 CCOCc1cnccn1 34a_100121572206_100016995436 [1,0,1,0,0,0|2,0,0]=4 922 B10R1.17 CCOCc1cncnc1 34a_100121572206_100015196519 [1,0,1,0,0,0|2,0,0]=4 923 B10R1.17 CCSCc1ccccc1 62a_100000210202_100015291786 [1,0,1,0,0,0|2,0,0]=4 924 B10R1.17 CCSCc1ccccc1 62a_100000211182_100000210202 [1,0,1,0,0,0|2,0,0]=4 925 B10R1.17 CCSCc1cccnc1 62a_100000210202_100000741622 [1,0,1,0,0,0|1,0,0]=3 926 B10R1.17 CCSCc1cccnc1 62a_100000741622_100000210202 [1,0,1,0,0,0|1,0,0]=3 927 B10R1.17 CCSCc1cccnn1 62a_100000210202_100016990269 [1,0,1,0,0,0|2,0,0]=4 928 B10R1.17 CCSCc1cccnn1 62a_100016990269_100000210202 [1,0,1,0,0,0|2,0,0]=4 929 B10R1.17 CCSCc1cnccn1 62a_100000210202_100016995436 [1,0,1,0,0,0|2,0,0]=4 930 B10R1.17 CCSCc1cnccn1 62a_100016995436_100000210202 [1,0,1,0,0,0|2,0,0]=4 931 B10R1.17 CCSCc1cncnc1 62a_100000210202_100015196519 [1,0,1,0,0,0|2,0,0]=4 932 B10R1.17 CCSCc1cncnc1 62a_100015196519_100000210202 [1,0,1,0,0,0|2,0,0]=4 933 B10R1.17 CNCCc1ccccc1 2230a_100000106460_200000210301 [1,0,1,0,0,0|2,0,0]=4 934 B10R1.17 CNCCc1ccccc1 2230a_106832991635_100000765856 [1,0,1,0,0,0|2,0,0]=4 935 B10R1.17 CNCCc1ccccc1 34a_100000106460_200000210301 [1,0,1,0,0,0|2,0,0]=4 936 B10R1.17 CNCCc1ccccc1 34a_100102657272_100000765856 [1,0,1,0,0,0|2,0,0]=4 937 B10R1.17 CNCCc1ccccc1 7a_106832991635_100000765856 [1,0,1,0,0,0|2,0,0]=4 938 B10R1.17 CNCCc1cccnc1 2230a_100000736294_200000210301 [1,0,1,0,0,0|1,0,0]=3 939 B10R1.17 CNCCc1cccnc1 2230a_106832991635_200011713674 [1,0,1,0,0,0|1,0,0]=3 940 B10R1.17 CNCCc1cccnc1 7a_106832991635_200011713674 [1,0,1,0,0,0|1,0,0]=3 941 B10R1.17 COCCc1ccccc1 34a_100000210268_200000210301 [1,0,1,0,0,0|2,0,0]=4 942 B10R1.17 COCCc1ccccc1 34a_100138415774_100000765856 [1,0,1,0,0,0|2,0,0]=4 943 B10R1.17 COCCc1ccccc1 7a_100000210268_200000210301 [1,0,1,0,0,0|2,0,0]=4 944 B10R1.17 COCCc1cccnc1 34a_100011217484_200000210301 [1,0,1,0,0,0|1,0,0]=3 945 B10R1.17 COCCc1cnccn1 34a_100011349526_200000210301 [1,0,1,0,0,0|2,0,0]=4 946 B10R1.17 COCCc1cncnc1 34a_100011709255_200000210301 [1,0,1,0,0,0|2,0,0]=4 947 B10R1.17 COCSc1cccnc1 62a_100000210063_100000766300 [1,0,1,0,0,0|2,0,0]=4 948 B10R1.17 COCSc1cccnc1 62a_100000766300_100000210063 [1,0,1,0,0,0|2,0,0]=4 949 B10R1.17 CSCCc1ccccc1 62a_100000765856_200000210301 [1,0,1,0,0,0|2,0,0]=4 950 B10R1.17 CSCCc1ccccc1 62a_200000210301_100011218657 [1,0,1,0,0,0|2,0,0]=4 951 B10R1.17 CSCCc1cccnc1 62a_200000210301_200011713674 [1,0,1,0,0,0|1,0,0]=3 952 B10R1.17 CSCCc1cccnc1 62a_200011713674_200000210301 [1,0,1,0,0,0|1,0,0]=3 953 B10R1.17 CSCNc1ccccc1 34a_100000106764_100011218213 [1,0,1,0,0,0|2,0,0]=4 954 B10R1.17 CSCOc1cccnc1 34a_100000210849_100011218213 [1,0,1,0,0,0|2,0,0]=4 955 B10R1.17 CSCSc1cccnc1 62a_100000210063_100011218213 [1,0,1,0,0,0|2,0,0]=4 956 B10R1.17 CSCSc1cccnc1 62a_100011218213_100000210063 [1,0,1,0,0,0|2,0,0]=4 957 B10R1.17 FCCNc1ccccc1 34a_100000106764_100011217306 [1,0,1,0,0,0|2,0,0]=4 958 B10R1.17 FCCOc1cccnc1 34a_100000210849_100011217306 [1,0,1,0,0,0|2,0,0]=4 959 B10R1.17 FCCOc1cccnc1 7a_100000210849_100011217306 [1,0,1,0,0,0|2,0,0]=4 960 B10R1.17 FCCSc1cccnc1 62a_100000210063_100011217306 [1,0,1,0,0,0|2,0,0]=4 961 B10R1.17 FCCSc1cccnc1 62a_100011217306_100000210063 [1,0,1,0,0,0|2,0,0]=4 962 B10R1.17 FCNCc1ccccc1 34a_100015324214_100015361967 [1,0,1,0,0,0|2,0,0]=4 963 B10R1.17 FCSCc1cccnc1 62a_100000741622_100015361967 [1,0,1,0,0,0|2,0,0]=4 964 B10R1.17 FCSCc1cccnc1 62a_100015361967_100000741622 [1,0,1,0,0,0|2,0,0]=4 965 B10R1.17 OCCNc1ccccc1 34a_100000106764_100000211926 [1,0,1,0,0,0|2,0,0]=4 966 B10R1.17 OCCNc1cccnn1 27a_100000210304_100016991348 [1,0,1,0,0,0|2,0,0]=4 967 B10R1.17 OCCNc1cnccn1 27a_100000210304_100000211759 [1,0,1,0,0,0|2,0,0]=4 968 B10R1.17 OCCOc1cccnc1 34a_100000210849_100000211926 [1,0,1,0,0,0|2,0,0]=4 969 B10R1.17 OCCOc1cccnc1 7a_100000210849_100000211926 [1,0,1,0,0,0|2,0,0]=4 970 B10R1.17 OCCSc1cccnc1 62a_100000210063_100000211926 [1,0,1,0,0,0|2,0,0]=4 971 B10R1.17 OCCSc1cccnc1 62a_100000211926_100000210063 [1,0,1,0,0,0|2,0,0]=4 972 B10R1.17 [13CH3]NCCc1ccccc1 2230a_100000106460_200025704644 [1,0,1,0,0,0|2,0,0]=4 973 B10R1.17 [13CH3]NCCc1ccccc1 34a_100000106460_200025704644 [1,0,1,0,0,0|2,0,0]=4 974 B10R1.17 [13CH3]NCCc1cccnc1 2230a_100000736294_200025704644 [1,0,1,0,0,0|1,0,0]=3 975 B10R1.17 [13CH3]OCCc1ccccc1 34a_100000210268_200025704644 [1,0,1,0,0,0|2,0,0]=4 976 B10R1.17 [13CH3]OCCc1ccccc1 7a_100000210268_200025704644 [1,0,1,0,0,0|2,0,0]=4 977 B10R1.17 [13CH3]OCCc1cccnc1 34a_100011217484_200025704644 [1,0,1,0,0,0|1,0,0]=3 978 B10R1.17 [13CH3]OCCc1cnccn1 34a_100011349526_200025704644 [1,0,1,0,0,0|2,0,0]=4 979 B10R1.17 [13CH3]OCCc1cncnc1 34a_100011709255_200025704644 [1,0,1,0,0,0|2,0,0]=4 980 B10R1.17 [13CH3]SCCc1ccccc1 62a_100000765856_200025704644 [1,0,1,0,0,0|2,0,0]=4 981 B10R1.17 [13CH3]SCCc1ccccc1 62a_200025704644_100011218657 [1,0,1,0,0,0|2,0,0]=4 982 B10R1.17 [13CH3]SCCc1cccnc1 62a_200011713674_200025704644 [1,0,1,0,0,0|1,0,0]=3 983 B10R1.17 [13CH3]SCCc1cccnc1 62a_200025704644_200011713674 [1,0,1,0,0,0|1,0,0]=3 984 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [0,1,1,0,0,0|1,0,0]=3 985 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [0,1,1,0,0,0|2,0,0]=4 986 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [0,1,1,0,0,0|2,0,0]=4 987 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [0,1,1,0,0,0|2,0,0]=4 988 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [0,1,1,0,0,0|2,0,0]=4 989 B12R1.3 CCC(OCF)c1ccccc1 34a_100000698172_100015361967 [0,1,1,0,0,0|2,0,0]=4 990 B12R1.3 CCC(OCF)c1ccccc1 7a_100000698172_100015361967 [0,1,1,0,0,0|2,0,0]=4 991 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [0,1,1,0,0,0|1,0,0]=3 992 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [0,1,1,0,0,0|1,0,0]=3 993 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [0,1,1,0,0,0|1,0,0]=3 994 B12R1.3 CCCC(NC)c1ccccn1 269862a_106832991636_100000751832 [0,1,1,0,0,0|2,0,0]=4 995 B12R1.3 CCCC(NC)c1cccnc1 2230a_100011351308_200000210301 [0,1,1,0,0,0|0,0,0]=2 996 B12R1.3 CCCC(NC)c1cccnc1 269862a_106832991636_100000700227 [0,1,1,0,0,0|0,0,0]=2 997 B12R1.3 CCCC(NC)c1ccncc1 269862a_106832991636_100011350605 [0,1,1,0,0,0|2,0,0]=4 998 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [0,1,1,0,0,0|1,0,0]=3 999 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [0,1,1,0,0,0|1,0,0]=3 1000 B12R1.3 CCCC(N[13CH3])c1cccnc1 2230a_100011351308_200025704644 [0,1,1,0,0,0|0,0,0]=2 1001 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [0,1,1,0,0,0|2,0,0]=4 1002 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [0,1,1,0,0,0|2,0,0]=4 1003 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [0,1,1,0,0,0|2,0,0]=4 1004 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [0,1,1,0,0,0|2,0,0]=4 1005 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [0,1,1,0,0,0|1,0,0]=3 1006 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [0,1,1,0,0,0|1,0,0]=3 1007 B12R1.3 CCNC(CC)c1ccccn1 2230a_100015186561_100000210202 [0,1,1,0,0,0|2,0,0]=4 1008 B12R1.3 CCNC(CC)c1ccccn1 269862a_100015525214_100000748178 [0,1,1,0,0,0|2,0,0]=4 1009 B12R1.3 CCNC(CC)c1cccnc1 2230a_100000246009_100000210202 [0,1,1,0,0,0|0,0,0]=2 1010 B12R1.3 CCNC(CC)c1cccnc1 269862a_100015525214_100011218761 [0,1,1,0,0,0|0,0,0]=2 1011 B12R1.3 CCNC(CC)c1ccncc1 269862a_100015525214_100011216016 [0,1,1,0,0,0|2,0,0]=4 1012 B12R1.3 CCNC(CC)c1cnccn1 2230a_200016994365_100000210202 [0,1,1,0,0,0|1,0,0]=3 1013 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [0,1,1,0,0,0|2,0,0]=4 1014 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [0,1,1,0,0,0|2,0,0]=4 1015 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [0,1,1,0,0,0|2,0,0]=4 1016 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [0,1,1,0,0,0|2,0,0]=4 1017 B12R1.3 CNC(CCCl)c1ccccc1 2230a_106832991635_200010132975 [0,1,1,0,0,0|1,0,0]=3 1018 B12R1.3 CNC(CCCl)c1ccccc1 7a_106832991635_200010132975 [0,1,1,0,0,0|1,0,0]=3 1019 B12R1.3 CNC(COC)c1ccccc1 269862a_106832991636_100000765260 [0,1,1,0,0,0|1,0,0]=3 1020 B12R1.3 CN[C@@H](CCO)c1ccccc1 2230a_100025705951_200000210301 [0,1,1,0,0,0|1,0,0]=3 1021 B12R1.3 CN[C@H](COC)c1ccccc1 2230a_103619048568_200000210301 [0,1,1,0,0,0|1,0,0]=3 1022 B12R1.3 CN[C@H](COC)c1ccccc1 34a_103619048568_200000210301 [0,1,1,0,0,0|1,0,0]=3 1023 B12R1.3 COC(CCN)c1ccccc1 34a_100000763605_200000210301 [0,1,1,0,0,0|2,0,0]=4 1024 B12R1.3 COC(CO[13CH3])c1ccccc1 34a_100011215540_200025704644 [0,1,1,0,0,0|2,0,0]=4 1025 B12R1.3 COC(CO[13CH3])c1ccccc1 7a_100011215540_200025704644 [0,1,1,0,0,0|2,0,0]=4 1026 B12R1.3 COCC(OC)c1ccccc1 34a_100011215540_200000210301 [0,1,1,0,0,0|2,0,0]=4 1027 B12R1.3 COCC(OC)c1ccccc1 7a_100011215540_200000210301 [0,1,1,0,0,0|2,0,0]=4 1028 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 2230a_103619048568_200025704644 [0,1,1,0,0,0|1,0,0]=3 1029 B12R1.3 COC[C@@H](N[13CH3])c1ccccc1 34a_103619048568_200025704644 [0,1,1,0,0,0|1,0,0]=3 1030 B12R1.3 CO[C@H](CCCl)c1ccccc1 34a_100000729684_200000210301 [0,1,1,0,0,0|2,0,0]=4 1031 B12R1.3 CO[C@H](CCCl)c1ccccc1 7a_100000729684_200000210301 [0,1,1,0,0,0|2,0,0]=4 1032 B12R1.3 CSC(CCCl)c1ccccc1 62a_200000210301_200010132975 [0,1,1,0,0,0|2,0,0]=4 1033 B12R1.3 CSC(CCCl)c1ccccc1 62a_200010132975_200000210301 [0,1,1,0,0,0|2,0,0]=4 1034 B12R1.3 OC[C@@H](NCF)c1ccccc1 34a_100000751927_100015361967 [0,1,1,0,0,0|2,0,0]=4 1035 B12R1.3 [13CH3]N[C@@H](CCO)c1ccccc1 2230a_100025705951_200025704644 [0,1,1,0,0,0|1,0,0]=3 1036 B12R1.3 [13CH3]OC(CCN)c1ccccc1 34a_100000763605_200025704644 [0,1,1,0,0,0|2,0,0]=4 1037 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 34a_100000729684_200025704644 [0,1,1,0,0,0|2,0,0]=4 1038 B12R1.3 [13CH3]O[C@H](CCCl)c1ccccc1 7a_100000729684_200025704644 [0,1,1,0,0,0|2,0,0]=4 1039 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200010132975_200025704644 [0,1,1,0,0,0|2,0,0]=4 1040 B12R1.3 [13CH3]SC(CCCl)c1ccccc1 62a_200025704644_200010132975 [0,1,1,0,0,0|2,0,0]=4 1041 B12R1.12 CCC(NC)c1ccc(cc1)Br 269862a_106832991636_100000211647 [0,1,1,0,0,0|1,0,0]=3 1042 B12R1.12 CCC(NC)c1ccc(cc1)C 2230a_100000749201_200000210301 [0,1,1,0,0,0|1,0,0]=3 1043 B12R1.12 CCC(NC)c1ccc(cc1)C 269862a_106832991636_100000185863 [0,1,1,0,0,0|1,0,0]=3 1044 B12R1.12 CCC(NC)c1ccc(cc1)C 34a_100000749201_200000210301 [0,1,1,0,0,0|1,0,0]=3 1045 B12R1.12 CCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100000210983 [0,1,1,0,0,0|1,0,0]=3 1046 B12R1.12 CCC(NC)c1ccc(cc1)F 2230a_100011191751_200000210301 [0,1,1,0,0,0|1,0,0]=3 1047 B12R1.12 CCC(NC)c1ccc(cc1)F 269862a_106832991636_100000211089 [0,1,1,0,0,0|1,0,0]=3 1048 B12R1.12 CCC(NC)c1ccc(cc1)F 34a_100011191751_200000210301 [0,1,1,0,0,0|1,0,0]=3 1049 B12R1.12 CCC(NC)c1ccc(cc1)I 269862a_106832991636_100000763097 [0,1,1,0,0,0|1,0,0]=3 1050 B12R1.12 CCC(NC)c1ccc(cc1)O 271570a_203496583355_100000231127 [0,1,1,0,0,0|1,0,0]=3 1051 B12R1.12 CCC(NC)c1ccc(cc1)O 34a_100015187210_200000210301 [0,1,1,0,0,0|1,0,0]=3 1052 B12R1.12 CCC(NC)c1ccc(cn1)Br 269862a_106832991636_100012351654 [0,1,1,0,0,0|2,0,0]=4 1053 B12R1.12 CCC(NC)c1ccc(cn1)Br 270004a_106832991635_100012351654 [0,1,1,0,0,0|2,0,0]=4 1054 B12R1.12 CCC(NC)c1ccc(cn1)C 2230a_100015185231_200000210301 [0,1,1,0,0,0|2,0,0]=4 1055 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 2230a_100000749201_200025704644 [0,1,1,0,0,0|1,0,0]=3 1056 B12R1.12 CCC(N[13CH3])c1ccc(cc1)C 34a_100000749201_200025704644 [0,1,1,0,0,0|1,0,0]=3 1057 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 2230a_100011191751_200025704644 [0,1,1,0,0,0|1,0,0]=3 1058 B12R1.12 CCC(N[13CH3])c1ccc(cc1)F 34a_100011191751_200025704644 [0,1,1,0,0,0|1,0,0]=3 1059 B12R1.12 CCC(N[13CH3])c1ccc(cc1)O 34a_100015187210_200025704644 [0,1,1,0,0,0|1,0,0]=3 1060 B12R1.12 CCC(N[13CH3])c1ccc(cn1)C 2230a_100015185231_200025704644 [0,1,1,0,0,0|2,0,0]=4 1061 B12R1.12 CCC(OC)c1ccc(cc1)Br 34a_100000246506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1062 B12R1.12 CCC(OC)c1ccc(cc1)Br 7a_100000246506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1063 B12R1.12 CCC(OC)c1ccc(cc1)C 34a_100000246521_200000210301 [0,1,1,0,0,0|2,0,0]=4 1064 B12R1.12 CCC(OC)c1ccc(cc1)C 7a_100000246521_200000210301 [0,1,1,0,0,0|2,0,0]=4 1065 B12R1.12 CCC(OC)c1ccc(cc1)Cl 34a_100000246471_200000210301 [0,1,1,0,0,0|2,0,0]=4 1066 B12R1.12 CCC(OC)c1ccc(cc1)Cl 7a_100000246471_200000210301 [0,1,1,0,0,0|2,0,0]=4 1067 B12R1.12 CCC(OC)c1ccc(cc1)F 34a_100000246474_200000210301 [0,1,1,0,0,0|2,0,0]=4 1068 B12R1.12 CCC(OC)c1ccc(cc1)F 7a_100000246474_200000210301 [0,1,1,0,0,0|2,0,0]=4 1069 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 34a_100000246506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1070 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Br 7a_100000246506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1071 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 34a_100000246521_200025704644 [0,1,1,0,0,0|2,0,0]=4 1072 B12R1.12 CCC(O[13CH3])c1ccc(cc1)C 7a_100000246521_200025704644 [0,1,1,0,0,0|2,0,0]=4 1073 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 34a_100000246471_200025704644 [0,1,1,0,0,0|2,0,0]=4 1074 B12R1.12 CCC(O[13CH3])c1ccc(cc1)Cl 7a_100000246471_200025704644 [0,1,1,0,0,0|2,0,0]=4 1075 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 34a_100000246474_200025704644 [0,1,1,0,0,0|2,0,0]=4 1076 B12R1.12 CCC(O[13CH3])c1ccc(cc1)F 7a_100000246474_200025704644 [0,1,1,0,0,0|2,0,0]=4 1077 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 2230a_100025736560_200000210301 [0,1,1,0,0,0|1,0,0]=3 1078 B12R1.12 CC[C@H](NC)c1ccc(cc1)Br 34a_100025736560_200000210301 [0,1,1,0,0,0|1,0,0]=3 1079 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 2230a_100015186824_200000210301 [0,1,1,0,0,0|1,0,0]=3 1080 B12R1.12 CC[C@H](NC)c1ccc(cc1)Cl 34a_100015186824_200000210301 [0,1,1,0,0,0|1,0,0]=3 1081 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 2230a_100025736560_200025704644 [0,1,1,0,0,0|1,0,0]=3 1082 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Br 34a_100025736560_200025704644 [0,1,1,0,0,0|1,0,0]=3 1083 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 2230a_100015186824_200025704644 [0,1,1,0,0,0|1,0,0]=3 1084 B12R1.12 CC[C@H](N[13CH3])c1ccc(cc1)Cl 34a_100015186824_200025704644 [0,1,1,0,0,0|1,0,0]=3 1085 B12R1.12 CNC(CO)c1ccc(cc1)Br 2230a_100000734186_200000210301 [0,1,1,0,0,0|2,0,0]=4 1086 B12R1.12 CNC(CO)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,1,1,0,0,0|2,0,0]=4 1087 B12R1.12 CNC(CO)c1ccc(cc1)F 2230a_100000705410_200000210301 [0,1,1,0,0,0|2,0,0]=4 1088 B12R1.12 CNC(CO)c1ccc(cc1)F 34a_100000705410_200000210301 [0,1,1,0,0,0|2,0,0]=4 1089 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_200000210301 [0,1,1,0,0,0|2,0,0]=4 1090 B12R1.12 CN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_200000210301 [0,1,1,0,0,0|2,0,0]=4 1091 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200000210301 [0,1,1,0,0,0|2,0,0]=4 1092 B12R1.12 CN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,1,1,0,0,0|2,0,0]=4 1093 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 2230a_100009818840_200025704644 [0,1,1,0,0,0|2,0,0]=4 1094 B12R1.12 Cc1ccc(cc1)[C@H](CO)N[13CH3] 34a_100009818840_200025704644 [0,1,1,0,0,0|2,0,0]=4 1095 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 2230a_100000734186_200025704644 [0,1,1,0,0,0|2,0,0]=4 1096 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,1,1,0,0,0|2,0,0]=4 1097 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 2230a_100000705410_200025704644 [0,1,1,0,0,0|2,0,0]=4 1098 B12R1.12 [13CH3]NC(CO)c1ccc(cc1)F 34a_100000705410_200025704644 [0,1,1,0,0,0|2,0,0]=4 1099 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_200025704644 [0,1,1,0,0,0|2,0,0]=4 1100 B12R1.12 [13CH3]N[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,1,1,0,0,0|2,0,0]=4 1101 B12R1.13 CCC(NC)c1cc(ccn1)Cl 269862a_106832991636_200000094848 [0,1,1,0,0,0|2,0,0]=4 1102 B12R1.13 CCC(NC)c1cc(ccn1)Cl 270004a_106832991635_200000094848 [0,1,1,0,0,0|2,0,0]=4 1103 B12R1.13 CCC(NC)c1cccc(c1)Br 269862a_106832991636_100000211677 [0,1,1,0,0,0|1,0,0]=3 1104 B12R1.13 CCC(NC)c1cccc(c1)C 269862a_106832991636_100000730664 [0,1,1,0,0,0|1,0,0]=3 1105 B12R1.13 CCC(NC)c1cccc(c1)Cl 2230a_100000737531_200000210301 [0,1,1,0,0,0|1,0,0]=3 1106 B12R1.13 CCC(NC)c1cccc(c1)Cl 269862a_106832991636_100000211052 [0,1,1,0,0,0|1,0,0]=3 1107 B12R1.13 CCC(NC)c1cccc(c1)Cl 34a_100000737531_200000210301 [0,1,1,0,0,0|1,0,0]=3 1108 B12R1.13 CCC(NC)c1cccc(c1)F 2230a_100159265421_200000210301 [0,1,1,0,0,0|1,0,0]=3 1109 B12R1.13 CCC(NC)c1cccc(c1)F 269862a_106832991636_100000687998 [0,1,1,0,0,0|1,0,0]=3 1110 B12R1.13 CCC(NC)c1cccc(c1)F 34a_100159265421_200000210301 [0,1,1,0,0,0|1,0,0]=3 1111 B12R1.13 CCC(NC)c1cccc(c1)O 2230a_100159312145_200000210301 [0,1,1,0,0,0|1,0,0]=3 1112 B12R1.13 CCC(NC)c1cccc(c1)O 269862a_106832991636_100011996911 [0,1,1,0,0,0|1,0,0]=3 1113 B12R1.13 CCC(NC)c1cccc(c1)O 34a_100159312145_200000210301 [0,1,1,0,0,0|1,0,0]=3 1114 B12R1.13 CCC(NC)c1cccc(n1)Br 269862a_106832991636_100011004013 [0,1,1,0,0,0|2,0,0]=4 1115 B12R1.13 CCC(NC)c1cccc(n1)C 2230a_100161156280_200000210301 [0,1,1,0,0,0|2,0,0]=4 1116 B12R1.13 CCC(NC)c1cncc(c1)F 269862a_106832991636_100011491000 [0,1,1,0,0,0|0,0,0]=2 1117 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 2230a_100000737531_200025704644 [0,1,1,0,0,0|1,0,0]=3 1118 B12R1.13 CCC(N[13CH3])c1cccc(c1)Cl 34a_100000737531_200025704644 [0,1,1,0,0,0|1,0,0]=3 1119 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 2230a_100159265421_200025704644 [0,1,1,0,0,0|1,0,0]=3 1120 B12R1.13 CCC(N[13CH3])c1cccc(c1)F 34a_100159265421_200025704644 [0,1,1,0,0,0|1,0,0]=3 1121 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 2230a_100159312145_200025704644 [0,1,1,0,0,0|1,0,0]=3 1122 B12R1.13 CCC(N[13CH3])c1cccc(c1)O 34a_100159312145_200025704644 [0,1,1,0,0,0|1,0,0]=3 1123 B12R1.13 CCC(N[13CH3])c1cccc(n1)C 2230a_100161156280_200025704644 [0,1,1,0,0,0|2,0,0]=4 1124 B12R1.13 CCC(OC)c1cccc(c1)Cl 34a_100000766619_200000210301 [0,1,1,0,0,0|2,0,0]=4 1125 B12R1.13 CCC(OC)c1cccc(c1)Cl 7a_100000766619_200000210301 [0,1,1,0,0,0|2,0,0]=4 1126 B12R1.13 CCC(OC)c1cccc(c1)F 34a_100011350881_200000210301 [0,1,1,0,0,0|2,0,0]=4 1127 B12R1.13 CCC(OC)c1cccc(c1)F 7a_100011350881_200000210301 [0,1,1,0,0,0|2,0,0]=4 1128 B12R1.13 CCC(OC)c1cccc(c1)I 34a_200013212081_200000210301 [0,1,1,0,0,0|2,0,0]=4 1129 B12R1.13 CCC(OC)c1cccc(c1)I 7a_200013212081_200000210301 [0,1,1,0,0,0|2,0,0]=4 1130 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 34a_100000766619_200025704644 [0,1,1,0,0,0|2,0,0]=4 1131 B12R1.13 CCC(O[13CH3])c1cccc(c1)Cl 7a_100000766619_200025704644 [0,1,1,0,0,0|2,0,0]=4 1132 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 34a_100011350881_200025704644 [0,1,1,0,0,0|2,0,0]=4 1133 B12R1.13 CCC(O[13CH3])c1cccc(c1)F 7a_100011350881_200025704644 [0,1,1,0,0,0|2,0,0]=4 1134 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 34a_200013212081_200025704644 [0,1,1,0,0,0|2,0,0]=4 1135 B12R1.13 CCC(O[13CH3])c1cccc(c1)I 7a_200013212081_200025704644 [0,1,1,0,0,0|2,0,0]=4 1136 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 2230a_200016991486_200000210301 [0,1,1,0,0,0|1,0,0]=3 1137 B12R1.13 CC[C@@H](NC)c1cccc(c1)C 34a_200016991486_200000210301 [0,1,1,0,0,0|1,0,0]=3 1138 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 2230a_200016991486_200025704644 [0,1,1,0,0,0|1,0,0]=3 1139 B12R1.13 CC[C@@H](N[13CH3])c1cccc(c1)C 34a_200016991486_200025704644 [0,1,1,0,0,0|1,0,0]=3 1140 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 2230a_100102422761_200000210301 [0,1,1,0,0,0|1,0,0]=3 1141 B12R1.13 CC[C@H](NC)c1cccc(c1)Br 34a_100102422761_200000210301 [0,1,1,0,0,0|1,0,0]=3 1142 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 2230a_100102422761_200025704644 [0,1,1,0,0,0|1,0,0]=3 1143 B12R1.13 CC[C@H](N[13CH3])c1cccc(c1)Br 34a_100102422761_200025704644 [0,1,1,0,0,0|1,0,0]=3 1144 B12R1.13 CNC(CO)c1cccc(c1)Br 2230a_100000690078_200000210301 [0,1,1,0,0,0|2,0,0]=4 1145 B12R1.13 CNC(CO)c1cccc(c1)Br 34a_100000690078_200000210301 [0,1,1,0,0,0|2,0,0]=4 1146 B12R1.13 CNC(CO)c1cccc(c1)O 2230a_100025717460_200000210301 [0,1,1,0,0,0|2,0,0]=4 1147 B12R1.13 CNC(CO)c1cccc(c1)O 34a_100025717460_200000210301 [0,1,1,0,0,0|2,0,0]=4 1148 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200000210301 [0,1,1,0,0,0|2,0,0]=4 1149 B12R1.13 CN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,1,1,0,0,0|2,0,0]=4 1150 B12R1.13 CN[C@H](CO)c1cccc(c1)C 2230a_100009818812_200000210301 [0,1,1,0,0,0|2,0,0]=4 1151 B12R1.13 CN[C@H](CO)c1cccc(c1)C 34a_100009818812_200000210301 [0,1,1,0,0,0|2,0,0]=4 1152 B12R1.13 CN[C@H](CO)c1cccc(c1)F 2230a_100020641251_200000210301 [0,1,1,0,0,0|2,0,0]=4 1153 B12R1.13 CN[C@H](CO)c1cccc(c1)F 34a_100020641251_200000210301 [0,1,1,0,0,0|2,0,0]=4 1154 B12R1.13 COC(OC)c1cncc(c1)O 271570a_203496583355_100010232022 [0,1,1,0,0,0|2,0,0]=4 1155 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 2230a_100009818812_200025704644 [0,1,1,0,0,0|2,0,0]=4 1156 B12R1.13 Cc1cccc(c1)[C@@H](CO)N[13CH3] 34a_100009818812_200025704644 [0,1,1,0,0,0|2,0,0]=4 1157 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 2230a_100000690078_200025704644 [0,1,1,0,0,0|2,0,0]=4 1158 B12R1.13 [13CH3]NC(CO)c1cccc(c1)Br 34a_100000690078_200025704644 [0,1,1,0,0,0|2,0,0]=4 1159 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 2230a_100025717460_200025704644 [0,1,1,0,0,0|2,0,0]=4 1160 B12R1.13 [13CH3]NC(CO)c1cccc(c1)O 34a_100025717460_200025704644 [0,1,1,0,0,0|2,0,0]=4 1161 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_200025704644 [0,1,1,0,0,0|2,0,0]=4 1162 B12R1.13 [13CH3]N[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,1,1,0,0,0|2,0,0]=4 1163 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 2230a_100020641251_200025704644 [0,1,1,0,0,0|2,0,0]=4 1164 B12R1.13 [13CH3]N[C@H](CO)c1cccc(c1)F 34a_100020641251_200025704644 [0,1,1,0,0,0|2,0,0]=4 1165 B12R1.243 CCC(NC)c1ccccc1C 269862a_106832991636_100011350723 [0,1,1,0,0,0|1,0,0]=3 1166 B12R1.243 CCC(NC)c1ccccc1Cl 269862a_106832991636_100011400563 [0,1,1,0,0,0|1,0,0]=3 1167 B12R1.243 CCC(NC)c1ccccc1F 269862a_106832991636_100000686739 [0,1,1,0,0,0|1,0,0]=3 1168 B12R1.243 CCC(NC)c1ncccc1C 2230a_200011536107_200000210301 [0,1,1,0,0,0|2,0,0]=4 1169 B12R1.243 CCC(NC)c1ncccc1C 269862a_106832991636_100000725274 [0,1,1,0,0,0|2,0,0]=4 1170 B12R1.243 CCC(N[13CH3])c1ncccc1C 2230a_200011536107_200025704644 [0,1,1,0,0,0|2,0,0]=4 1171 B12R1.243 CCC(OC)c1ccccc1F 34a_200011689290_200000210301 [0,1,1,0,0,0|2,0,0]=4 1172 B12R1.243 CCC(OC)c1ccccc1F 7a_200011689290_200000210301 [0,1,1,0,0,0|2,0,0]=4 1173 B12R1.243 CCC(O[13CH3])c1ccccc1F 34a_200011689290_200025704644 [0,1,1,0,0,0|2,0,0]=4 1174 B12R1.243 CCC(O[13CH3])c1ccccc1F 7a_200011689290_200025704644 [0,1,1,0,0,0|2,0,0]=4 1175 B12R1.243 CC[C@H](NC)c1ccccc1Cl 2230a_200016987949_200000210301 [0,1,1,0,0,0|1,0,0]=3 1176 B12R1.243 CC[C@H](NC)c1ccccc1Cl 34a_200016987949_200000210301 [0,1,1,0,0,0|1,0,0]=3 1177 B12R1.243 CC[C@H](NC)c1ccccc1F 2230a_100015190424_200000210301 [0,1,1,0,0,0|1,0,0]=3 1178 B12R1.243 CC[C@H](NC)c1ccccc1F 34a_100015190424_200000210301 [0,1,1,0,0,0|1,0,0]=3 1179 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 2230a_200016987949_200025704644 [0,1,1,0,0,0|1,0,0]=3 1180 B12R1.243 CC[C@H](N[13CH3])c1ccccc1Cl 34a_200016987949_200025704644 [0,1,1,0,0,0|1,0,0]=3 1181 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 2230a_100015190424_200025704644 [0,1,1,0,0,0|1,0,0]=3 1182 B12R1.243 CC[C@H](N[13CH3])c1ccccc1F 34a_100015190424_200025704644 [0,1,1,0,0,0|1,0,0]=3 1183 B12R1.243 CNC(CO)c1ccccc1Cl 2230a_100138412506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1184 B12R1.243 CNC(CO)c1ccccc1Cl 34a_100138412506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1185 B12R1.243 CN[C@@H](CO)c1ccccc1F 2230a_100009818778_200000210301 [0,1,1,0,0,0|2,0,0]=4 1186 B12R1.243 CN[C@@H](CO)c1ccccc1F 34a_100009818778_200000210301 [0,1,1,0,0,0|2,0,0]=4 1187 B12R1.243 CN[C@H](CO)c1ccccc1Br 2230a_100161155918_200000210301 [0,1,1,0,0,0|2,0,0]=4 1188 B12R1.243 CN[C@H](CO)c1ccccc1Br 34a_100161155918_200000210301 [0,1,1,0,0,0|2,0,0]=4 1189 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 2230a_100138412506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1190 B12R1.243 [13CH3]NC(CO)c1ccccc1Cl 34a_100138412506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1191 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 2230a_100009818778_200025704644 [0,1,1,0,0,0|2,0,0]=4 1192 B12R1.243 [13CH3]N[C@@H](CO)c1ccccc1F 34a_100009818778_200025704644 [0,1,1,0,0,0|2,0,0]=4 1193 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 2230a_100161155918_200025704644 [0,1,1,0,0,0|2,0,0]=4 1194 B12R1.243 [13CH3]N[C@H](CO)c1ccccc1Br 34a_100161155918_200025704644 [0,1,1,0,0,0|2,0,0]=4 1195 B12R1.475 CCC(C)(OC)c1ccccc1 7a_100000748282_200000210301 [0,1,1,0,0,0|2,0,0]=4 1196 B12R1.475 CCC(C)(O[13CH3])c1ccccc1 7a_100000748282_200025704644 [0,1,1,0,0,0|2,0,0]=4 1197 B12R1.478 CC(C)C(N[13CH3])c1ccccn1 2230a_100015183375_200025704644 [0,1,1,0,0,0|2,0,0]=4 1198 B12R1.478 CC(C)C(N[13CH3])c1cccnc1 2230a_100015185317_200025704644 [0,1,1,0,0,0|0,0,0]=2 1199 B12R1.478 CC(C)C(N[13CH3])c1ccncc1 2230a_100000755331_200025704644 [0,1,1,0,0,0|2,0,0]=4 1200 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 34a_200011217822_200025704644 [0,1,1,0,0,0|2,0,0]=4 1201 B12R1.478 CC(C)C(O[13CH3])c1ccccc1 7a_200011217822_200025704644 [0,1,1,0,0,0|2,0,0]=4 1202 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 2230a_100015186014_200025704644 [0,1,1,0,0,0|1,0,0]=3 1203 B12R1.478 CC(C)[C@H](N[13CH3])c1ccccc1 34a_100015186014_200025704644 [0,1,1,0,0,0|1,0,0]=3 1204 B12R1.478 CCC(C(=O)C)c1ccccc1 1458a_100000211302_200000210301 [0,1,1,0,0,0|2,0,0]=4 1205 B12R1.478 CCC(C(=O)[13CH3])c1ccccc1 1458a_100000211302_200025704644 [0,1,1,0,0,0|2,0,0]=4 1206 B12R1.478 CCC(c1ccccc1)N(C)C 2230a_100000737544_200000210301 [0,1,1,0,0,0|1,0,0]=3 1207 B12R1.478 CCC(c1ccccc1)N(C)C 269982a_100000737544_200000210301 [0,1,1,0,0,0|1,0,0]=3 1208 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 2230a_100000737544_200025704644 [0,1,1,0,0,0|1,0,0]=3 1209 B12R1.478 CCC(c1ccccc1)N(C)[13CH3] 269982a_100000737544_200025704644 [0,1,1,0,0,0|1,0,0]=3 1210 B12R1.478 CCC(c1ccccn1)N(C)C 2230a_100011351527_200000210301 [0,1,1,0,0,0|2,0,0]=4 1211 B12R1.478 CCC(c1ccccn1)N(C)C 269982a_100011351527_200000210301 [0,1,1,0,0,0|2,0,0]=4 1212 B12R1.478 CCC(c1ccccn1)N(C)[13CH3] 2230a_100011351527_200025704644 [0,1,1,0,0,0|2,0,0]=4 1213 B12R1.478 CCC(c1ccccn1)N(C)[13CH3] 269982a_100011351527_200025704644 [0,1,1,0,0,0|2,0,0]=4 1214 B12R1.478 CCC(c1cccnc1)N(C)C 2230a_200011351541_200000210301 [0,1,1,0,0,0|0,0,0]=2 1215 B12R1.478 CCC(c1cccnc1)N(C)C 269982a_200011351541_200000210301 [0,1,1,0,0,0|0,0,0]=2 1216 B12R1.478 CCC(c1cccnc1)N(C)[13CH3] 2230a_200011351541_200025704644 [0,1,1,0,0,0|0,0,0]=2 1217 B12R1.478 CCC(c1cccnc1)N(C)[13CH3] 269982a_200011351541_200025704644 [0,1,1,0,0,0|0,0,0]=2 1218 B12R1.478 CNC(C(=O)C)c1ccccc1 2230a_106832991635_100009888967 [0,1,1,0,0,0|1,0,1]=4 1219 B12R1.478 CNC(C(=O)C)c1ccccc1 7a_106832991635_100009888967 [0,1,1,0,0,0|1,0,1]=4 1220 B12R1.478 CNC(c1ccccn1)C(C)C 2230a_100015183375_200000210301 [0,1,1,0,0,0|2,0,0]=4 1221 B12R1.478 CNC(c1ccccn1)C(C)C 269862a_106832991636_100011350566 [0,1,1,0,0,0|2,0,0]=4 1222 B12R1.478 CNC(c1cccnc1)C(C)C 2230a_100015185317_200000210301 [0,1,1,0,0,0|0,0,0]=2 1223 B12R1.478 CNC(c1ccncc1)C(C)C 2230a_100000755331_200000210301 [0,1,1,0,0,0|2,0,0]=4 1224 B12R1.478 CN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_200000210301 [0,1,1,0,0,0|1,0,0]=3 1225 B12R1.478 CN[C@H](c1ccccc1)C(C)C 2230a_100015186014_200000210301 [0,1,1,0,0,0|1,0,0]=3 1226 B12R1.478 CN[C@H](c1ccccc1)C(C)C 34a_100015186014_200000210301 [0,1,1,0,0,0|1,0,0]=3 1227 B12R1.478 COC(c1ccccc1)C(C)C 34a_200011217822_200000210301 [0,1,1,0,0,0|2,0,0]=4 1228 B12R1.478 COC(c1ccccc1)C(C)C 7a_200011217822_200000210301 [0,1,1,0,0,0|2,0,0]=4 1229 B12R1.478 C[C@H](O)[C@@H](N[13CH3])c1ccccc1 2230a_100134616770_200025704644 [0,1,1,0,0,0|1,0,0]=3 1230 B12R1.16 CC(OCF)c1ccc(nc1)Br 34a_200010274204_100015361967 [0,1,1,0,0,0|2,0,0]=4 1231 B12R1.16 CC(OCF)c1ccc(nc1)Br 7a_200010274204_100015361967 [0,1,1,0,0,0|2,0,0]=4 1232 B12R1.16 CC(OCF)c1ccc(nc1)Cl 34a_200012017543_100015361967 [0,1,1,0,0,0|2,0,0]=4 1233 B12R1.16 CC(OCF)c1ccc(nc1)Cl 7a_200012017543_100015361967 [0,1,1,0,0,0|2,0,0]=4 1234 B12R1.16 CCCC(=O)c1ccc(nc1)O 271570a_203496583355_200012185933 [0,1,1,0,0,0|1,0,1]=4 1235 B12R1.16 CCCC(O)c1ccc(cc1)O 271570a_203496583355_100011350873 [0,1,1,0,0,0|2,0,0]=4 1236 B12R1.16 CCNC(=O)c1ccc(nc1)O 271570a_203496583355_100000160145 [0,1,1,0,0,0|1,0,1]=4 1237 B12R1.16 CCNC(C)c1cc[n+](cc1)[O-] 269862a_100015525214_100000076990 [0,1,1,0,0,0|2,0,0]=4 1238 B12R1.16 CCNC(C)c1ccc(cc1)Br 2230a_100015525214_100000755118 [0,1,1,0,0,0|1,0,0]=3 1239 B12R1.16 CCNC(C)c1ccc(cc1)Br 269862a_100015525214_100000185794 [0,1,1,0,0,0|1,0,0]=3 1240 B12R1.16 CCNC(C)c1ccc(cc1)C 2230a_100015525214_100011261388 [0,1,1,0,0,0|1,0,0]=3 1241 B12R1.16 CCNC(C)c1ccc(cc1)C 269862a_100015525214_100000185793 [0,1,1,0,0,0|1,0,0]=3 1242 B12R1.16 CCNC(C)c1ccc(cc1)Cl 2230a_100015525214_100000684792 [0,1,1,0,0,0|1,0,0]=3 1243 B12R1.16 CCNC(C)c1ccc(cc1)Cl 269862a_100015525214_100000185797 [0,1,1,0,0,0|1,0,0]=3 1244 B12R1.16 CCNC(C)c1ccc(cc1)F 2230a_100015525214_100000743420 [0,1,1,0,0,0|1,0,0]=3 1245 B12R1.16 CCNC(C)c1ccc(cc1)F 269862a_100015525214_100000185800 [0,1,1,0,0,0|1,0,0]=3 1246 B12R1.16 CCNC(C)c1ccc(cc1)I 269862a_100015525214_100000185465 [0,1,1,0,0,0|1,0,0]=3 1247 B12R1.16 CCNC(C)c1ccc(cn1)Br 2230a_100000723930_100000210202 [0,1,1,0,0,0|2,0,0]=4 1248 B12R1.16 CCNC(C)c1ccc(cn1)Br 269862a_100015525214_100000686046 [0,1,1,0,0,0|2,0,0]=4 1249 B12R1.16 CCNC(C)c1ccc(cn1)Br 270004a_100015525214_100000686046 [0,1,1,0,0,0|2,0,0]=4 1250 B12R1.16 CCNC(C)c1ccc(cn1)C 269862a_100015525214_100000084104 [0,1,1,0,0,0|2,0,0]=4 1251 B12R1.16 CCNC(C)c1ccc(cn1)C 270004a_100015525214_100000084104 [0,1,1,0,0,0|2,0,0]=4 1252 B12R1.16 CCNC(C)c1ccc(cn1)Cl 269862a_100015525214_100000692432 [0,1,1,0,0,0|2,0,0]=4 1253 B12R1.16 CCNC(C)c1ccc(cn1)Cl 270004a_100015525214_100000692432 [0,1,1,0,0,0|2,0,0]=4 1254 B12R1.16 CCNC(C)c1ccc(cn1)F 269862a_100015525214_100102946652 [0,1,1,0,0,0|2,0,0]=4 1255 B12R1.16 CCNC(C)c1ccc(cn1)F 270004a_100015525214_100102946652 [0,1,1,0,0,0|2,0,0]=4 1256 B12R1.16 CCNC(C)c1ccc(nc1)Br 269862a_100015525214_100000684857 [0,1,1,0,0,0|0,0,0]=2 1257 B12R1.16 CCNC(C)c1ccc(nc1)C 2230a_100011815741_100000210202 [0,1,1,0,0,0|0,0,0]=2 1258 B12R1.16 CCNC(C)c1ccc(nc1)C 269862a_100015525214_100011280547 [0,1,1,0,0,0|0,0,0]=2 1259 B12R1.16 CCNC(C)c1ccc(nc1)C 34a_100011815741_100000210202 [0,1,1,0,0,0|0,0,0]=2 1260 B12R1.16 CCNC(C)c1ccc(nc1)Cl 269862a_100015525214_100000690552 [0,1,1,0,0,0|0,0,0]=2 1261 B12R1.16 CCNC(C)c1ccc(nc1)F 269862a_100015525214_100000085738 [0,1,1,0,0,0|0,0,0]=2 1262 B12R1.16 CCNC(C)c1cnc(cn1)Cl 269862a_100015525214_100009883172 [0,1,1,0,0,0|1,0,0]=3 1263 B12R1.16 CCNC(C)c1cnc(cn1)Cl 270004a_100015525214_100009883172 [0,1,1,0,0,0|1,0,0]=3 1264 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 2230a_100025705893_100000210202 [0,1,1,0,0,0|1,0,0]=3 1265 B12R1.16 CCN[C@@H](C)c1ccc(cc1)F 34a_100025705893_100000210202 [0,1,1,0,0,0|1,0,0]=3 1266 B12R1.16 CCN[C@@H](C)c1ccc(cc1)I 2230a_100000753911_100000210202 [0,1,1,0,0,0|1,0,0]=3 1267 B12R1.16 CCN[C@@H](C)c1ccc(cc1)O 2230a_100161106496_100000210202 [0,1,1,0,0,0|1,0,0]=3 1268 B12R1.16 CCN[C@@H](C)c1ccc(nc1)Br 2230a_100015387476_100000210202 [0,1,1,0,0,0|0,0,0]=2 1269 B12R1.16 CCN[C@H](C)c1ccc(cc1)Br 2230a_100000720352_100000210202 [0,1,1,0,0,0|1,0,0]=3 1270 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 2230a_100016988085_100000210202 [0,1,1,0,0,0|1,0,0]=3 1271 B12R1.16 CCN[C@H](C)c1ccc(cc1)C 34a_100016988085_100000210202 [0,1,1,0,0,0|1,0,0]=3 1272 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 2230a_100015205461_100000210202 [0,1,1,0,0,0|1,0,0]=3 1273 B12R1.16 CCN[C@H](C)c1ccc(cc1)Cl 34a_100015205461_100000210202 [0,1,1,0,0,0|1,0,0]=3 1274 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100000745893_100000210202 [0,1,1,0,0,0|2,0,0]=4 1275 B12R1.16 CCOC(C)c1ccc(cc1)Br 34a_100121572206_100000755118 [0,1,1,0,0,0|2,0,0]=4 1276 B12R1.16 CCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210202 [0,1,1,0,0,0|2,0,0]=4 1277 B12R1.16 CCOC(C)c1ccc(cc1)C 34a_100121572206_100011261388 [0,1,1,0,0,0|2,0,0]=4 1278 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100000181323_100000210202 [0,1,1,0,0,0|2,0,0]=4 1279 B12R1.16 CCOC(C)c1ccc(cc1)F 34a_100121572206_100000743420 [0,1,1,0,0,0|2,0,0]=4 1280 B12R1.16 CCOC(C)c1ccc(cc1)F 7a_100000181323_100000210202 [0,1,1,0,0,0|2,0,0]=4 1281 B12R1.16 CCOC(C)c1ccc(cc1)N 34a_100011216399_100000210202 [0,1,1,0,0,0|2,0,0]=4 1282 B12R1.16 CCOC(C)c1ccc(nc1)Br 34a_200010274204_100000210202 [0,1,1,0,0,0|1,0,0]=3 1283 B12R1.16 CCOC(C)c1ccc(nc1)Br 7a_200010274204_100000210202 [0,1,1,0,0,0|1,0,0]=3 1284 B12R1.16 CCOC(C)c1ccc(nc1)C 34a_200011815720_100000210202 [0,1,1,0,0,0|1,0,0]=3 1285 B12R1.16 CCOC(C)c1ccc(nc1)C 7a_200011815720_100000210202 [0,1,1,0,0,0|1,0,0]=3 1286 B12R1.16 CCOC(C)c1ccc(nc1)Cl 34a_200012017543_100000210202 [0,1,1,0,0,0|1,0,0]=3 1287 B12R1.16 CCOC(C)c1ccc(nc1)Cl 7a_200012017543_100000210202 [0,1,1,0,0,0|1,0,0]=3 1288 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000210202 [0,1,1,0,0,0|2,0,0]=4 1289 B12R1.16 CCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210202 [0,1,1,0,0,0|2,0,0]=4 1290 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000210202 [0,1,1,0,0,0|2,0,0]=4 1291 B12R1.16 CCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210202 [0,1,1,0,0,0|2,0,0]=4 1292 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000210202_100000755118 [0,1,1,0,0,0|2,0,0]=4 1293 B12R1.16 CCSC(C)c1ccc(cc1)Br 62a_100000755118_100000210202 [0,1,1,0,0,0|2,0,0]=4 1294 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100000210202_100011261388 [0,1,1,0,0,0|2,0,0]=4 1295 B12R1.16 CCSC(C)c1ccc(cc1)C 62a_100011261388_100000210202 [0,1,1,0,0,0|2,0,0]=4 1296 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000210202_100000684792 [0,1,1,0,0,0|2,0,0]=4 1297 B12R1.16 CCSC(C)c1ccc(cc1)Cl 62a_100000684792_100000210202 [0,1,1,0,0,0|2,0,0]=4 1298 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000210202_100000743420 [0,1,1,0,0,0|2,0,0]=4 1299 B12R1.16 CCSC(C)c1ccc(cc1)F 62a_100000743420_100000210202 [0,1,1,0,0,0|2,0,0]=4 1300 B12R1.16 COCC(N)c1ccc(cc1)Br 34a_100000734186_200000210301 [0,1,1,0,0,0|2,0,0]=4 1301 B12R1.16 COCC(N)c1ccc(cc1)F 34a_100000705410_200000210301 [0,1,1,0,0,0|2,0,0]=4 1302 B12R1.16 COC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200000210301 [0,1,1,0,0,0|2,0,0]=4 1303 B12R1.16 COC[C@H](N)c1ccc(cc1)C 34a_100009818840_200000210301 [0,1,1,0,0,0|2,0,0]=4 1304 B12R1.16 C[C@@H](NCF)c1ccc(cc1)Cl 34a_100015205461_100015361967 [0,1,1,0,0,0|2,0,0]=4 1305 B12R1.16 C[C@H](NCF)c1ccc(cc1)F 34a_100025705893_100015361967 [0,1,1,0,0,0|2,0,0]=4 1306 B12R1.16 Cc1ccc(cc1)[C@@H](C)NCF 34a_100016988085_100015361967 [0,1,1,0,0,0|2,0,0]=4 1307 B12R1.16 Cc1ccc(cc1)[C@@H](N)CO[13CH3] 34a_100009818840_200025704644 [0,1,1,0,0,0|2,0,0]=4 1308 B12R1.16 Cc1ccc(cn1)C(C)NCF 34a_100011815741_100015361967 [0,1,1,0,0,0|1,0,0]=3 1309 B12R1.16 Cc1ccc(cn1)C(C)OCF 34a_200011815720_100015361967 [0,1,1,0,0,0|2,0,0]=4 1310 B12R1.16 Cc1ccc(cn1)C(C)OCF 7a_200011815720_100015361967 [0,1,1,0,0,0|2,0,0]=4 1311 B12R1.16 N[C@@H](CCO)c1ccc(cc1)O 271570a_203496583355_102125605589 [0,1,1,0,0,0|2,0,0]=4 1312 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)Br 34a_100000734186_200025704644 [0,1,1,0,0,0|2,0,0]=4 1313 B12R1.16 [13CH3]OCC(N)c1ccc(cc1)F 34a_100000705410_200025704644 [0,1,1,0,0,0|2,0,0]=4 1314 B12R1.16 [13CH3]OC[C@@H](N)c1ccc(cc1)Cl 34a_100009818818_200025704644 [0,1,1,0,0,0|2,0,0]=4 1315 B12R1.17 CC(NCF)c1cccc(c1)Cl 34a_100102723534_100015361967 [0,1,1,0,0,0|2,0,0]=4 1316 B12R1.17 CC(OCF)c1cncc(c1)Br 34a_100012351597_100015361967 [0,1,1,0,0,0|2,0,0]=4 1317 B12R1.17 CC(OCF)c1cncc(c1)Br 7a_100012351597_100015361967 [0,1,1,0,0,0|2,0,0]=4 1318 B12R1.17 CCNC(=O)c1cncc(c1)O 271570a_203496583355_200000155184 [0,1,1,0,0,0|1,0,1]=4 1319 B12R1.17 CCNC(C)c1cc(ccn1)Br 269862a_100015525214_100000709912 [0,1,1,0,0,0|2,0,0]=4 1320 B12R1.17 CCNC(C)c1cc(ccn1)Br 270004a_100015525214_100000709912 [0,1,1,0,0,0|2,0,0]=4 1321 B12R1.17 CCNC(C)c1cc(ccn1)C 2230a_100011933787_100000210202 [0,1,1,0,0,0|2,0,0]=4 1322 B12R1.17 CCNC(C)c1cc(ccn1)C 269862a_100015525214_100000728896 [0,1,1,0,0,0|2,0,0]=4 1323 B12R1.17 CCNC(C)c1cc(ccn1)C 270004a_100015525214_100000728896 [0,1,1,0,0,0|2,0,0]=4 1324 B12R1.17 CCNC(C)c1cc(ccn1)Cl 269862a_100015525214_100000099826 [0,1,1,0,0,0|2,0,0]=4 1325 B12R1.17 CCNC(C)c1cc(ccn1)Cl 270004a_100015525214_100000099826 [0,1,1,0,0,0|2,0,0]=4 1326 B12R1.17 CCNC(C)c1cccc(c1)Br 2230a_100020642005_100000210202 [0,1,1,0,0,0|1,0,0]=3 1327 B12R1.17 CCNC(C)c1cccc(c1)Br 269862a_100015525214_100000210093 [0,1,1,0,0,0|1,0,0]=3 1328 B12R1.17 CCNC(C)c1cccc(c1)C 269862a_100015525214_100000211476 [0,1,1,0,0,0|1,0,0]=3 1329 B12R1.17 CCNC(C)c1cccc(c1)Cl 2230a_100102723534_100000210202 [0,1,1,0,0,0|1,0,0]=3 1330 B12R1.17 CCNC(C)c1cccc(c1)Cl 269862a_100015525214_200000210964 [0,1,1,0,0,0|1,0,0]=3 1331 B12R1.17 CCNC(C)c1cccc(c1)Cl 34a_100102723534_100000210202 [0,1,1,0,0,0|1,0,0]=3 1332 B12R1.17 CCNC(C)c1cccc(c1)F 269862a_100015525214_100000187083 [0,1,1,0,0,0|1,0,0]=3 1333 B12R1.17 CCNC(C)c1cccc(c1)I 269862a_100015525214_100011356966 [0,1,1,0,0,0|1,0,0]=3 1334 B12R1.17 CCNC(C)c1cccc(c1)O 2230a_100000740644_100000210202 [0,1,1,0,0,0|1,0,0]=3 1335 B12R1.17 CCNC(C)c1cccc(c1)O 269862a_100015525214_100000211620 [0,1,1,0,0,0|1,0,0]=3 1336 B12R1.17 CCNC(C)c1cccc(n1)Br 2230a_200010173468_100000210202 [0,1,1,0,0,0|2,0,0]=4 1337 B12R1.17 CCNC(C)c1cccc(n1)Br 269862a_100015525214_100009816502 [0,1,1,0,0,0|2,0,0]=4 1338 B12R1.17 CCNC(C)c1cccc(n1)C 2230a_100011877385_100000210202 [0,1,1,0,0,0|2,0,0]=4 1339 B12R1.17 CCNC(C)c1cccc(n1)C 269862a_100015525214_100011877301 [0,1,1,0,0,0|2,0,0]=4 1340 B12R1.17 CCNC(C)c1cccc(n1)Cl 269862a_100015525214_100000085735 [0,1,1,0,0,0|2,0,0]=4 1341 B12R1.17 CCNC(C)c1cccc(n1)F 269862a_100015525214_100000092306 [0,1,1,0,0,0|2,0,0]=4 1342 B12R1.17 CCNC(C)c1ccnc(c1)Br 269862a_100015525214_100010177706 [0,1,1,0,0,0|2,0,0]=4 1343 B12R1.17 CCNC(C)c1ccnc(c1)C 269862a_100015525214_100011998260 [0,1,1,0,0,0|2,0,0]=4 1344 B12R1.17 CCNC(C)c1ccnc(c1)Cl 269862a_100015525214_100000685609 [0,1,1,0,0,0|2,0,0]=4 1345 B12R1.17 CCNC(C)c1cncc(c1)Br 269862a_100015525214_100011216243 [0,1,1,0,0,0|0,0,0]=2 1346 B12R1.17 CCNC(C)c1cncc(c1)C 269862a_100015525214_100000702010 [0,1,1,0,0,0|0,0,0]=2 1347 B12R1.17 CCNC(C)c1cncc(c1)F 269862a_100015525214_100000758212 [0,1,1,0,0,0|0,0,0]=2 1348 B12R1.17 CCN[C@@H](C)c1cccc(n1)F 2230a_100025709760_100000210202 [0,1,1,0,0,0|2,0,0]=4 1349 B12R1.17 CCN[C@@H](C)c1cccc(n1)F 34a_100025709760_100000210202 [0,1,1,0,0,0|2,0,0]=4 1350 B12R1.17 CCN[C@H](C)c1cccc(c1)C 2230a_100000698126_100000210202 [0,1,1,0,0,0|1,0,0]=3 1351 B12R1.17 CCN[C@H](C)c1cccc(c1)C 34a_100000698126_100000210202 [0,1,1,0,0,0|1,0,0]=3 1352 B12R1.17 CCN[C@H](C)c1cccc(c1)F 2230a_100015193778_100000210202 [0,1,1,0,0,0|1,0,0]=3 1353 B12R1.17 CCN[C@H](C)c1cccc(c1)F 34a_100015193778_100000210202 [0,1,1,0,0,0|1,0,0]=3 1354 B12R1.17 CCN[C@H](C)c1cncc(c1)Br 2230a_100012350620_100000210202 [0,1,1,0,0,0|0,0,0]=2 1355 B12R1.17 CCOC(C)c1cccc(c1)Br 34a_100000246457_100000210202 [0,1,1,0,0,0|2,0,0]=4 1356 B12R1.17 CCOC(C)c1cccc(c1)Br 7a_100000246457_100000210202 [0,1,1,0,0,0|2,0,0]=4 1357 B12R1.17 CCOC(C)c1cccc(c1)C 34a_100000757818_100000210202 [0,1,1,0,0,0|2,0,0]=4 1358 B12R1.17 CCOC(C)c1cccc(c1)C 7a_100000757818_100000210202 [0,1,1,0,0,0|2,0,0]=4 1359 B12R1.17 CCOC(C)c1cccc(c1)F 34a_100000744526_100000210202 [0,1,1,0,0,0|2,0,0]=4 1360 B12R1.17 CCOC(C)c1cccc(c1)F 7a_100000744526_100000210202 [0,1,1,0,0,0|2,0,0]=4 1361 B12R1.17 CCOC(C)c1cccc(c1)I 34a_100013085317_100000210202 [0,1,1,0,0,0|2,0,0]=4 1362 B12R1.17 CCOC(C)c1cccc(c1)I 7a_100013085317_100000210202 [0,1,1,0,0,0|2,0,0]=4 1363 B12R1.17 CCOC(C)c1cccc(c1)N 34a_100011217120_100000210202 [0,1,1,0,0,0|2,0,0]=4 1364 B12R1.17 CCOC(C)c1cccc(c1)N 7a_100011217120_100000210202 [0,1,1,0,0,0|2,0,0]=4 1365 B12R1.17 CCOC(C)c1cncc(c1)Br 34a_100012351597_100000210202 [0,1,1,0,0,0|1,0,0]=3 1366 B12R1.17 CCOC(C)c1cncc(c1)Br 7a_100012351597_100000210202 [0,1,1,0,0,0|1,0,0]=3 1367 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000210202 [0,1,1,0,0,0|2,0,0]=4 1368 B12R1.17 CCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210202 [0,1,1,0,0,0|2,0,0]=4 1369 B12R1.17 COCC(N)c1cccc(c1)Br 34a_100000690078_200000210301 [0,1,1,0,0,0|2,0,0]=4 1370 B12R1.17 COC[C@@H](N)c1cccc(c1)C 34a_100009818812_200000210301 [0,1,1,0,0,0|2,0,0]=4 1371 B12R1.17 COC[C@@H](N)c1cccc(c1)F 34a_100020641251_200000210301 [0,1,1,0,0,0|2,0,0]=4 1372 B12R1.17 COC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200000210301 [0,1,1,0,0,0|2,0,0]=4 1373 B12R1.17 C[C@@H](NCF)c1cccc(c1)F 34a_100015193778_100015361967 [0,1,1,0,0,0|2,0,0]=4 1374 B12R1.17 Cc1cccc(c1)[C@@H](C)NCF 34a_100000698126_100015361967 [0,1,1,0,0,0|2,0,0]=4 1375 B12R1.17 Cc1cccc(c1)[C@H](N)CO[13CH3] 34a_100009818812_200025704644 [0,1,1,0,0,0|2,0,0]=4 1376 B12R1.17 NC(CCO)c1cccc(c1)O 271570a_203496583355_200011661555 [0,1,1,0,0,0|2,0,0]=4 1377 B12R1.17 [13CH3]OCC(N)c1cccc(c1)Br 34a_100000690078_200025704644 [0,1,1,0,0,0|2,0,0]=4 1378 B12R1.17 [13CH3]OC[C@@H](N)c1cccc(c1)F 34a_100020641251_200025704644 [0,1,1,0,0,0|2,0,0]=4 1379 B12R1.17 [13CH3]OC[C@H](N)c1cccc(c1)Cl 34a_100032004910_200025704644 [0,1,1,0,0,0|2,0,0]=4 1380 B12R1.30 C#CCNC(C)c1ccccc1 34a_100000212058_100000211855 [0,1,1,0,0,0|1,0,1]=4 1381 B12R1.30 C#CCNC(C)c1cccnc1 2230a_100000195435_100000038162 [0,1,1,0,0,0|0,0,1]=3 1382 B12R1.30 C#CCN[C@H](C)c1ccccc1 2230a_100000751104_100000038162 [0,1,1,0,0,0|1,0,1]=4 1383 B12R1.30 C#CCN[C@H](C)c1cnccn1 2230a_100020589798_100000038162 [0,1,1,0,0,0|1,0,1]=4 1384 B12R1.30 C=CCNC(C)c1ccccc1 2230a_100020586998_100000230085 [0,1,1,0,0,0|1,0,1]=4 1385 B12R1.30 C=CCNC(C)c1cccnc1 2230a_100000195435_100000210623 [0,1,1,0,0,0|0,0,1]=3 1386 B12R1.30 C=CCNC(C)c1cnccn1 2230a_100020586998_200000703233 [0,1,1,0,0,0|1,0,1]=4 1387 B12R1.30 C=CCN[C@H](C)c1ccccc1 2230a_100000751104_100000210623 [0,1,1,0,0,0|1,0,1]=4 1388 B12R1.30 C=CCN[C@H](C)c1cnccn1 2230a_100020589798_100000210623 [0,1,1,0,0,0|1,0,1]=4 1389 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [0,1,1,0,0,0|2,0,0]=4 1390 B12R1.30 CC(NCC#N)c1cccnc1 2230a_100000195435_100011215382 [0,1,1,0,0,0|0,0,1]=3 1391 B12R1.30 CC(NCC=O)c1cccnc1 2230a_100000195435_200015260668 [0,1,1,0,0,0|0,0,1]=3 1392 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [0,1,1,0,0,0|1,0,0]=3 1393 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [0,1,1,0,0,0|1,0,0]=3 1394 B12R1.30 CC(NCCF)c1ccccn1 2230a_100000181244_100011217306 [0,1,1,0,0,0|2,0,0]=4 1395 B12R1.30 CC(NCCF)c1ccccn1 269862a_100000724931_100000210467 [0,1,1,0,0,0|2,0,0]=4 1396 B12R1.30 CC(NCCF)c1cccnc1 2230a_100000195435_100011217306 [0,1,1,0,0,0|0,0,0]=2 1397 B12R1.30 CC(NCCF)c1cccnc1 269862a_100000724931_100000210468 [0,1,1,0,0,0|0,0,0]=2 1398 B12R1.30 CC(NCCF)c1cccnn1 269862a_100000724931_100009866853 [0,1,1,0,0,0|1,0,0]=3 1399 B12R1.30 CC(NCCF)c1ccncc1 2230a_100000181269_100011217306 [0,1,1,0,0,0|2,0,0]=4 1400 B12R1.30 CC(NCCF)c1ccncc1 269862a_100000724931_100000185792 [0,1,1,0,0,0|2,0,0]=4 1401 B12R1.30 CC(NCCF)c1ccnnc1 269862a_100000724931_100012182992 [0,1,1,0,0,0|1,0,0]=3 1402 B12R1.30 CC(NCCF)c1cnccn1 269862a_100000724931_100000751083 [0,1,1,0,0,0|1,0,0]=3 1403 B12R1.30 CC(NCCF)c1cncnc1 269862a_100000724931_100000757475 [0,1,1,0,0,0|1,0,0]=3 1404 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [0,1,1,0,0,0|1,0,0]=3 1405 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [0,1,1,0,0,0|1,0,0]=3 1406 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [0,1,1,0,0,0|1,0,0]=3 1407 B12R1.30 CC(NCCO)c1ccccn1 2230a_100000181244_100000211926 [0,1,1,0,0,0|2,0,0]=4 1408 B12R1.30 CC(NCCO)c1ccccn1 269862a_100000210304_100000210467 [0,1,1,0,0,0|2,0,0]=4 1409 B12R1.30 CC(NCCO)c1cccnc1 2230a_100000195435_100000211926 [0,1,1,0,0,0|0,0,0]=2 1410 B12R1.30 CC(NCCO)c1cccnc1 269862a_100000210304_100000210468 [0,1,1,0,0,0|0,0,0]=2 1411 B12R1.30 CC(NCCO)c1cccnn1 269862a_100000210304_100009866853 [0,1,1,0,0,0|1,0,0]=3 1412 B12R1.30 CC(NCCO)c1ccncc1 2230a_100000181269_100000211926 [0,1,1,0,0,0|2,0,0]=4 1413 B12R1.30 CC(NCCO)c1ccncc1 269862a_100000210304_100000185792 [0,1,1,0,0,0|2,0,0]=4 1414 B12R1.30 CC(NCCO)c1ccnnc1 269862a_100000210304_100012182992 [0,1,1,0,0,0|1,0,0]=3 1415 B12R1.30 CC(NCCO)c1cnccn1 2230a_100016997473_200000703233 [0,1,1,0,0,0|1,0,0]=3 1416 B12R1.30 CC(NCCO)c1cnccn1 269862a_100000210304_100000751083 [0,1,1,0,0,0|1,0,0]=3 1417 B12R1.30 CC(NCCO)c1cncnc1 269862a_100000210304_100000757475 [0,1,1,0,0,0|1,0,0]=3 1418 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [0,1,1,0,0,0|2,0,0]=4 1419 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [0,1,1,0,0,0|2,0,0]=4 1420 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [0,1,1,0,0,0|2,0,0]=4 1421 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [0,1,1,0,0,0|2,0,0]=4 1422 B12R1.30 CC(SCCF)c1cnccn1 62a_100011217306_200000703233 [0,1,1,0,0,0|2,0,0]=4 1423 B12R1.30 CC(SCCF)c1cnccn1 62a_200000703233_100011217306 [0,1,1,0,0,0|2,0,0]=4 1424 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [0,1,1,0,0,0|2,0,0]=4 1425 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [0,1,1,0,0,0|2,0,0]=4 1426 B12R1.30 CC(SCCO)c1cnccn1 62a_100000211926_200000703233 [0,1,1,0,0,0|2,0,0]=4 1427 B12R1.30 CC(SCCO)c1cnccn1 62a_200000703233_100000211926 [0,1,1,0,0,0|2,0,0]=4 1428 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [0,1,1,0,0,0|1,0,0]=3 1429 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [0,1,1,0,0,0|2,0,0]=4 1430 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [0,1,1,0,0,0|2,0,0]=4 1431 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [0,1,1,0,0,0|0,0,0]=2 1432 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [0,1,1,0,0,0|0,0,0]=2 1433 B12R1.30 CCCNC(C)c1cccnn1 269862a_100020643023_100009866853 [0,1,1,0,0,0|1,0,0]=3 1434 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [0,1,1,0,0,0|2,0,0]=4 1435 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [0,1,1,0,0,0|2,0,0]=4 1436 B12R1.30 CCCNC(C)c1ccnnc1 269862a_100020643023_100012182992 [0,1,1,0,0,0|1,0,0]=3 1437 B12R1.30 CCCNC(C)c1cnccn1 269862a_100020643023_100000751083 [0,1,1,0,0,0|1,0,0]=3 1438 B12R1.30 CCCNC(C)c1cncnc1 269862a_100020643023_100000757475 [0,1,1,0,0,0|1,0,0]=3 1439 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [0,1,1,0,0,0|1,0,0]=3 1440 B12R1.30 CCCN[C@H](C)c1cnccn1 2230a_100020589798_100000210303 [0,1,1,0,0,0|1,0,0]=3 1441 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [0,1,1,0,0,0|2,0,0]=4 1442 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [0,1,1,0,0,0|2,0,0]=4 1443 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [0,1,1,0,0,0|2,0,0]=4 1444 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [0,1,1,0,0,0|2,0,0]=4 1445 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [0,1,1,0,0,0|2,0,0]=4 1446 B12R1.30 CCCSC(C)c1cnccn1 62a_100000210303_200000703233 [0,1,1,0,0,0|2,0,0]=4 1447 B12R1.30 CCCSC(C)c1cnccn1 62a_200000703233_100000210303 [0,1,1,0,0,0|2,0,0]=4 1448 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [0,1,1,0,0,0|1,0,0]=3 1449 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [0,1,1,0,0,0|1,0,0]=3 1450 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [0,1,1,0,0,0|1,0,0]=3 1451 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [0,1,1,0,0,0|1,0,0]=3 1452 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [0,1,1,0,0,0|2,0,0]=4 1453 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [0,1,1,0,0,0|2,0,0]=4 1454 B12R1.30 CCNCC(O)c1cccnc1 2230a_100020605170_100000210202 [0,1,1,0,0,0|1,0,0]=3 1455 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [0,1,1,0,0,0|2,0,0]=4 1456 B12R1.30 CCNN=C(C)c1ccccc1 4a_100000756455_100000185851 [0,1,1,0,0,0|1,0,1]=4 1457 B12R1.30 CCNN=C(C)c1cccnc1 4a_100000756455_100000210468 [0,1,1,0,0,0|0,0,1]=3 1458 B12R1.30 CCNN=C(C)c1cccnn1 4a_100000756455_100009866853 [0,1,1,0,0,0|1,0,1]=4 1459 B12R1.30 CCNN=C(C)c1ccnnc1 4a_100000756455_100012182992 [0,1,1,0,0,0|1,0,1]=4 1460 B12R1.30 CCNN=C(C)c1cnccn1 4a_100000756455_100000751083 [0,1,1,0,0,0|1,0,1]=4 1461 B12R1.30 CCNN=C(C)c1cncnc1 4a_100000756455_100000757475 [0,1,1,0,0,0|1,0,1]=4 1462 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [0,1,1,0,0,0|2,0,0]=4 1463 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [0,1,1,0,0,0|2,0,0]=4 1464 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [0,1,1,0,0,0|2,0,0]=4 1465 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [0,1,1,0,0,0|2,0,0]=4 1466 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [0,1,1,0,0,0|1,0,0]=3 1467 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [0,1,1,0,0,0|2,0,0]=4 1468 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [0,1,1,0,0,0|2,0,0]=4 1469 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000210202_100000757877 [0,1,1,0,0,0|1,0,1]=4 1470 B12R1.30 CCSCC(=O)c1cccnc1 62a_100000757877_100000210202 [0,1,1,0,0,0|1,0,1]=4 1471 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [0,1,1,0,0,0|2,0,0]=4 1472 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [0,1,1,0,0,0|2,0,0]=4 1473 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [0,1,1,0,0,0|2,0,0]=4 1474 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [0,1,1,0,0,0|2,0,0]=4 1475 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [0,1,1,0,0,0|2,0,0]=4 1476 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [0,1,1,0,0,0|2,0,0]=4 1477 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [0,1,1,0,0,0|2,0,0]=4 1478 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [0,1,1,0,0,0|2,0,0]=4 1479 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [0,1,1,0,0,0|2,0,0]=4 1480 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [0,1,1,0,0,0|2,0,0]=4 1481 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [0,1,1,0,0,0|2,0,0]=4 1482 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [0,1,1,0,0,0|2,0,0]=4 1483 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [0,1,1,0,0,0|1,0,0]=3 1484 B12R1.30 COCNC(C)c1ccccn1 2230a_100000181244_100000766300 [0,1,1,0,0,0|2,0,0]=4 1485 B12R1.30 COCNC(C)c1cccnc1 2230a_100000195435_100000766300 [0,1,1,0,0,0|0,0,0]=2 1486 B12R1.30 COCNC(C)c1ccncc1 2230a_100000181269_100000766300 [0,1,1,0,0,0|2,0,0]=4 1487 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [0,1,1,0,0,0|1,0,0]=3 1488 B12R1.30 COCN[C@H](C)c1cnccn1 2230a_100020589798_100000766300 [0,1,1,0,0,0|1,0,0]=3 1489 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [0,1,1,0,0,0|2,0,0]=4 1490 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [0,1,1,0,0,0|2,0,0]=4 1491 B12R1.30 COCSC(C)c1cnccn1 62a_100000766300_200000703233 [0,1,1,0,0,0|2,0,0]=4 1492 B12R1.30 COCSC(C)c1cnccn1 62a_200000703233_100000766300 [0,1,1,0,0,0|2,0,0]=4 1493 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [0,1,1,0,0,0|2,0,0]=4 1494 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [0,1,1,0,0,0|2,0,0]=4 1495 B12R1.30 CSCNC(C)c1ccccn1 2230a_100000181244_100011218213 [0,1,1,0,0,0|2,0,0]=4 1496 B12R1.30 CSCNC(C)c1cccnc1 2230a_100000195435_100011218213 [0,1,1,0,0,0|0,0,0]=2 1497 B12R1.30 CSCNC(C)c1ccncc1 2230a_100000181269_100011218213 [0,1,1,0,0,0|2,0,0]=4 1498 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [0,1,1,0,0,0|1,0,0]=3 1499 B12R1.30 CSCN[C@H](C)c1cnccn1 2230a_100020589798_100011218213 [0,1,1,0,0,0|1,0,0]=3 1500 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [0,1,1,0,0,0|2,0,0]=4 1501 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [0,1,1,0,0,0|2,0,0]=4 1502 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [0,1,1,0,0,0|2,0,0]=4 1503 B12R1.30 CSCSC(C)c1cnccn1 62a_100011218213_200000703233 [0,1,1,0,0,0|2,0,0]=4 1504 B12R1.30 CSCSC(C)c1cnccn1 62a_200000703233_100011218213 [0,1,1,0,0,0|2,0,0]=4 1505 B12R1.30 C[C@@H](NCC#N)c1ccccc1 2230a_100000751104_100011215382 [0,1,1,0,0,0|1,0,1]=4 1506 B12R1.30 C[C@@H](NCC#N)c1cnccn1 2230a_100020589798_100011215382 [0,1,1,0,0,0|1,0,1]=4 1507 B12R1.30 C[C@@H](NCC=O)c1ccccc1 2230a_100000751104_200015260668 [0,1,1,0,0,0|1,0,1]=4 1508 B12R1.30 C[C@@H](NCC=O)c1cnccn1 2230a_100020589798_200015260668 [0,1,1,0,0,0|1,0,1]=4 1509 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [0,1,1,0,0,0|1,0,0]=3 1510 B12R1.30 C[C@@H](NCCF)c1cnccn1 2230a_100020589798_100011217306 [0,1,1,0,0,0|1,0,0]=3 1511 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [0,1,1,0,0,0|1,0,0]=3 1512 B12R1.30 C[C@@H](NCCO)c1cnccn1 2230a_100020589798_100000211926 [0,1,1,0,0,0|1,0,0]=3 1513 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [0,1,1,0,0,0|2,0,0]=4 1514 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [0,1,1,0,0,0|2,0,0]=4 1515 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [0,1,1,0,0,0|2,0,0]=4 1516 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [0,1,1,0,0,0|2,0,0]=4 1517 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [0,1,1,0,0,0|2,0,0]=4 1518 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [0,1,1,0,0,0|2,0,0]=4 1519 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [0,1,1,0,0,0|1,0,0]=3 1520 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [0,1,1,0,0,0|2,0,0]=4 1521 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [0,1,1,0,0,0|2,0,0]=4 1522 B12R1.34 CC(c1ccccc1)N(C)CF 269982a_100000195388_100015361967 [0,1,1,0,0,0|2,0,0]=4 1523 B12R1.34 CC(c1cccnc1)N(C)CF 269982a_100000232774_100015361967 [0,1,1,0,0,0|1,0,0]=3 1524 B12R1.34 CCC(=O)C(C)c1ccccc1 1458a_100000210414_100000230085 [0,1,1,0,0,0|2,0,0]=4 1525 B12R1.34 CCC(=O)C(C)c1cnccn1 1458a_100000210414_200000703233 [0,1,1,0,0,0|2,0,0]=4 1526 B12R1.34 CCC(=O)[C@@H](C)c1ccccc1 1458a_100000751047_100000210202 [0,1,1,0,0,0|2,0,0]=4 1527 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000195388_100000210202 [0,1,1,0,0,0|1,0,0]=3 1528 B12R1.34 CCN(C)C(C)c1ccccc1 2230a_100000225621_100000230085 [0,1,1,0,0,0|1,0,0]=3 1529 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000195388_100000204670 [0,1,1,0,0,0|1,0,0]=3 1530 B12R1.34 CCN(C)C(C)c1ccccc1 269982a_100000225621_100000230085 [0,1,1,0,0,0|1,0,0]=3 1531 B12R1.34 CCN(C)C(C)c1ccccn1 2230a_100000231138_100000210202 [0,1,1,0,0,0|2,0,0]=4 1532 B12R1.34 CCN(C)C(C)c1ccccn1 269982a_100000231138_100000204670 [0,1,1,0,0,0|2,0,0]=4 1533 B12R1.34 CCN(C)C(C)c1cccnc1 2230a_100000232774_100000210202 [0,1,1,0,0,0|0,0,0]=2 1534 B12R1.34 CCN(C)C(C)c1cccnc1 269982a_100000232774_100000204670 [0,1,1,0,0,0|0,0,0]=2 1535 B12R1.34 CCN(C)C(C)c1ccncc1 2230a_100000231139_100000210202 [0,1,1,0,0,0|2,0,0]=4 1536 B12R1.34 CCN(C)C(C)c1ccncc1 269982a_100000231139_100000204670 [0,1,1,0,0,0|2,0,0]=4 1537 B12R1.34 CCN(C)C(C)c1cnccn1 2230a_100000225621_200000703233 [0,1,1,0,0,0|1,0,0]=3 1538 B12R1.34 CCN(C)C(C)c1cnccn1 269982a_100000225621_200000703233 [0,1,1,0,0,0|1,0,0]=3 1539 B12R1.34 CO[C@@H](C)[C@@H](N)c1ccccc1 34a_100134616770_200000210301 [0,1,1,0,0,0|2,0,0]=4 1540 B12R1.34 C[C@H](O[13CH3])[C@@H](N)c1ccccc1 34a_100134616770_200025704644 [0,1,1,0,0,0|2,0,0]=4 1541 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [0,1,1,0,0,0|1,0,0]=3 1542 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [0,1,1,0,0,0|1,0,0]=3 1543 B12R1.39 CCNC(C)(C)c1ccccn1 2230a_100011999416_100000210202 [0,1,1,0,0,0|2,0,0]=4 1544 B12R1.39 CCNC(C)(C)c1cccnc1 2230a_100011376175_100000210202 [0,1,1,0,0,0|0,0,0]=2 1545 B12R1.39 CCNS(=O)(=O)c1cccnc1 270084a_100015525214_100000736704 [0,1,1,0,0,0|2,0,0]=4 1546 B12R1.39 CCNS(=O)(=O)c1cccnc1 274078a_100015525214_100000736704 [0,1,1,0,0,0|2,0,0]=4 1547 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [0,1,1,0,0,0|2,0,0]=4 1548 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000034625_100000210202 [0,1,1,0,0,0|2,0,0]=4 1549 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000210202_100000034625 [0,1,1,0,0,0|2,0,0]=4 1550 B12R1.107 CC(=O)NC(C)c1cccnc1 11a_100000195435_100015343762 [0,1,1,0,0,0|0,0,1]=3 1551 B12R1.107 CC(=O)NC(C)c1cccnc1 240690a_100000195435_100015343762 [0,1,1,0,0,0|0,0,1]=3 1552 B12R1.107 CC(=O)NC(C)c1cccnc1 527a_100000195435_100103153847 [0,1,1,0,0,0|0,0,1]=3 1553 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100015343762 [0,1,1,0,0,0|1,0,1]=4 1554 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100015343762 [0,1,1,0,0,0|1,0,1]=4 1555 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100015343762 [0,1,1,0,0,0|1,0,1]=4 1556 B12R1.107 CC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100103153847 [0,1,1,0,0,0|1,0,1]=4 1557 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 11a_100020589798_100015343762 [0,1,1,0,0,0|1,0,1]=4 1558 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 240690a_100020589798_100015343762 [0,1,1,0,0,0|1,0,1]=4 1559 B12R1.107 CC(=O)N[C@H](C)c1cnccn1 527a_100020589798_100103153847 [0,1,1,0,0,0|1,0,1]=4 1560 B12R1.107 CC(C)C[C@H](N)c1ccccc1 271570a_100015190218_100000210277 [0,1,1,0,0,0|1,0,0]=3 1561 B12R1.107 CC(C)C[C@H](N)c1ccccn1 271570a_100015190218_100011216584 [0,1,1,0,0,0|2,0,0]=4 1562 B12R1.107 CC(C)C[C@H](N)c1cccnc1 271570a_100015190218_100000752921 [0,1,1,0,0,0|0,0,0]=2 1563 B12R1.107 CC(C)C[C@H](N)c1cccnn1 271570a_100015190218_100016991348 [0,1,1,0,0,0|1,0,0]=3 1564 B12R1.107 CC(C)C[C@H](N)c1ccncc1 271570a_100015190218_100000035832 [0,1,1,0,0,0|2,0,0]=4 1565 B12R1.107 CC(C)C[C@H](N)c1ccnnc1 271570a_100015190218_100000732662 [0,1,1,0,0,0|1,0,0]=3 1566 B12R1.107 CC(C)C[C@H](N)c1cnccn1 271570a_100015190218_100000758340 [0,1,1,0,0,0|1,0,0]=3 1567 B12R1.107 CC(C)C[C@H](N)c1cncnc1 271570a_100015190218_100011206942 [0,1,1,0,0,0|1,0,0]=3 1568 B12R1.107 CC(C)C[C@H](N)c1cnnnc1 271570a_100015190218_100009846058 [0,1,1,0,0,0|2,0,0]=4 1569 B12R1.107 CC(C)NC(C)c1ccccc1 2230a_100138425928_100000230085 [0,1,1,0,0,0|1,0,0]=3 1570 B12R1.107 CC(C)NC(C)c1ccccc1 34a_100138425928_100000211855 [0,1,1,0,0,0|1,0,0]=3 1571 B12R1.107 CC(C)NC(C)c1ccccn1 2230a_100000181244_100000210206 [0,1,1,0,0,0|2,0,0]=4 1572 B12R1.107 CC(C)NC(C)c1cccnc1 2230a_100000195435_100000210206 [0,1,1,0,0,0|0,0,0]=2 1573 B12R1.107 CC(C)NC(C)c1ccncc1 2230a_100000181269_100000210206 [0,1,1,0,0,0|2,0,0]=4 1574 B12R1.107 CC(C)NC(C)c1cnccn1 2230a_100138425928_200000703233 [0,1,1,0,0,0|1,0,0]=3 1575 B12R1.107 CC(C)N[C@H](C)c1ccccc1 2230a_100000751104_100000210206 [0,1,1,0,0,0|1,0,0]=3 1576 B12R1.107 CC(C)N[C@H](C)c1cnccn1 2230a_100020589798_100000210206 [0,1,1,0,0,0|1,0,0]=3 1577 B12R1.107 CC(C)OC(C)c1ccccc1 34a_100000212225_100000211855 [0,1,1,0,0,0|2,0,0]=4 1578 B12R1.107 CC(C)O[C@H](C)c1ccccc1 34a_100000761318_100000210206 [0,1,1,0,0,0|2,0,0]=4 1579 B12R1.107 CC(C)O[C@H](C)c1ccccc1 7a_100000761318_100000210206 [0,1,1,0,0,0|2,0,0]=4 1580 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000210206_100000230085 [0,1,1,0,0,0|2,0,0]=4 1581 B12R1.107 CC(C)SC(C)c1ccccc1 62a_100000230085_100000210206 [0,1,1,0,0,0|2,0,0]=4 1582 B12R1.107 CC(C)SC(C)c1cnccn1 62a_100000210206_200000703233 [0,1,1,0,0,0|2,0,0]=4 1583 B12R1.107 CC(C)SC(C)c1cnccn1 62a_200000703233_100000210206 [0,1,1,0,0,0|2,0,0]=4 1584 B12R1.308 CC(NCF)c1ccccc1Cl 34a_100000174978_100015361967 [0,1,1,0,0,0|2,0,0]=4 1585 B12R1.308 CC(NCF)c1ccccc1F 34a_100000181408_100015361967 [0,1,1,0,0,0|2,0,0]=4 1586 B12R1.308 CC(OCF)c1cccnc1Cl 34a_100009865335_100015361967 [0,1,1,0,0,0|2,0,0]=4 1587 B12R1.308 CC(OCF)c1cccnc1Cl 7a_100009865335_100015361967 [0,1,1,0,0,0|2,0,0]=4 1588 B12R1.308 CCNC(=O)c1cccnc1O 271570a_203496583355_100000160120 [0,1,1,0,0,0|1,0,1]=4 1589 B12R1.308 CCNC(C)c1ccccc1Br 2230a_100000181357_100000210202 [0,1,1,0,0,0|1,0,0]=3 1590 B12R1.308 CCNC(C)c1ccccc1Br 269862a_100015525214_100000187085 [0,1,1,0,0,0|1,0,0]=3 1591 B12R1.308 CCNC(C)c1ccccc1C 2230a_100000181355_100000210202 [0,1,1,0,0,0|1,0,0]=3 1592 B12R1.308 CCNC(C)c1ccccc1C 269862a_100015525214_100000211656 [0,1,1,0,0,0|1,0,0]=3 1593 B12R1.308 CCNC(C)c1ccccc1C 34a_100000181355_100000210202 [0,1,1,0,0,0|1,0,0]=3 1594 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100000174978_100000210202 [0,1,1,0,0,0|1,0,0]=3 1595 B12R1.308 CCNC(C)c1ccccc1Cl 2230a_100015525214_100000181259 [0,1,1,0,0,0|1,0,0]=3 1596 B12R1.308 CCNC(C)c1ccccc1Cl 269862a_100015525214_100000210134 [0,1,1,0,0,0|1,0,0]=3 1597 B12R1.308 CCNC(C)c1ccccc1Cl 34a_100000174978_100000210202 [0,1,1,0,0,0|1,0,0]=3 1598 B12R1.308 CCNC(C)c1ccccc1F 2230a_100000181408_100000210202 [0,1,1,0,0,0|1,0,0]=3 1599 B12R1.308 CCNC(C)c1ccccc1F 2230a_100015525214_200000741388 [0,1,1,0,0,0|1,0,0]=3 1600 B12R1.308 CCNC(C)c1ccccc1F 269862a_100015525214_100000210632 [0,1,1,0,0,0|1,0,0]=3 1601 B12R1.308 CCNC(C)c1ccccc1F 34a_100000181408_100000210202 [0,1,1,0,0,0|1,0,0]=3 1602 B12R1.308 CCNC(C)c1ccccc1I 269862a_100015525214_100000751169 [0,1,1,0,0,0|1,0,0]=3 1603 B12R1.308 CCNC(C)c1cccnc1C 269862a_100015525214_100011995960 [0,1,1,0,0,0|0,0,0]=2 1604 B12R1.308 CCNC(C)c1cccnc1O 2230a_100159269580_100000210202 [0,1,1,0,0,0|0,0,0]=2 1605 B12R1.308 CCNC(C)c1ccncc1Br 269862a_100015525214_100009993184 [0,1,1,0,0,0|2,0,0]=4 1606 B12R1.308 CCNC(C)c1ccncc1Cl 269862a_100015525214_100012001414 [0,1,1,0,0,0|2,0,0]=4 1607 B12R1.308 CCNC(C)c1ccncc1F 269862a_100015525214_100000727669 [0,1,1,0,0,0|2,0,0]=4 1608 B12R1.308 CCNC(C)c1cnccc1C 269862a_100015525214_100000693228 [0,1,1,0,0,0|0,0,0]=2 1609 B12R1.308 CCNC(C)c1cnccc1Cl 269862a_100015525214_100160469449 [0,1,1,0,0,0|0,0,0]=2 1610 B12R1.308 CCNC(C)c1ncccc1Br 2230a_100159271932_100000210202 [0,1,1,0,0,0|2,0,0]=4 1611 B12R1.308 CCNC(C)c1ncccc1Br 269862a_100015525214_100012348690 [0,1,1,0,0,0|2,0,0]=4 1612 B12R1.308 CCNC(C)c1ncccc1C 2230a_100011536111_100000210202 [0,1,1,0,0,0|2,0,0]=4 1613 B12R1.308 CCNC(C)c1ncccc1C 269862a_100015525214_100011536074 [0,1,1,0,0,0|2,0,0]=4 1614 B12R1.308 CCNC(C)c1ncccc1Cl 269862a_100015525214_100015267551 [0,1,1,0,0,0|2,0,0]=4 1615 B12R1.308 CCNC(C)c1ncccc1F 269862a_100015525214_100011997767 [0,1,1,0,0,0|2,0,0]=4 1616 B12R1.308 CCNC(C)c1ncccc1I 269862a_100015525214_200015599370 [0,1,1,0,0,0|2,0,0]=4 1617 B12R1.308 CCNC(C)c1nccnc1C 269862a_100015525214_100000702048 [0,1,1,0,0,0|1,0,0]=3 1618 B12R1.308 CCNC(C)c1nccnc1Cl 269862a_100015525214_100000099859 [0,1,1,0,0,0|1,0,0]=3 1619 B12R1.308 CCN[C@H](C)c1ccccc1O 2230a_100025703389_100000210202 [0,1,1,0,0,0|1,0,0]=3 1620 B12R1.308 CCOC(C)c1ccccc1Br 34a_100000702211_100000210202 [0,1,1,0,0,0|2,0,0]=4 1621 B12R1.308 CCOC(C)c1ccccc1Br 7a_100000702211_100000210202 [0,1,1,0,0,0|2,0,0]=4 1622 B12R1.308 CCOC(C)c1ccccc1C 34a_100000742021_100000210202 [0,1,1,0,0,0|2,0,0]=4 1623 B12R1.308 CCOC(C)c1ccccc1C 7a_100000742021_100000210202 [0,1,1,0,0,0|2,0,0]=4 1624 B12R1.308 CCOC(C)c1ccccc1Cl 34a_100000740796_100000210202 [0,1,1,0,0,0|2,0,0]=4 1625 B12R1.308 CCOC(C)c1ccccc1Cl 7a_100000740796_100000210202 [0,1,1,0,0,0|2,0,0]=4 1626 B12R1.308 CCOC(C)c1ccccc1F 34a_100000697922_100000210202 [0,1,1,0,0,0|2,0,0]=4 1627 B12R1.308 CCOC(C)c1ccccc1F 34a_100121572206_200000741388 [0,1,1,0,0,0|2,0,0]=4 1628 B12R1.308 CCOC(C)c1ccccc1F 7a_100000697922_100000210202 [0,1,1,0,0,0|2,0,0]=4 1629 B12R1.308 CCOC(C)c1ccccc1N 7a_100011405641_100000210202 [0,1,1,0,0,0|2,0,0]=4 1630 B12R1.308 CCOC(C)c1cccnc1Cl 34a_100009865335_100000210202 [0,1,1,0,0,0|1,0,0]=3 1631 B12R1.308 CCOC(C)c1cccnc1Cl 7a_100009865335_100000210202 [0,1,1,0,0,0|1,0,0]=3 1632 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000181259_100000210202 [0,1,1,0,0,0|2,0,0]=4 1633 B12R1.308 CCSC(C)c1ccccc1Cl 62a_100000210202_100000181259 [0,1,1,0,0,0|2,0,0]=4 1634 B12R1.308 CCSC(C)c1ccccc1F 62a_100000210202_200000741388 [0,1,1,0,0,0|2,0,0]=4 1635 B12R1.308 CCSC(C)c1ccccc1F 62a_200000741388_100000210202 [0,1,1,0,0,0|2,0,0]=4 1636 B12R1.308 COCC(N)c1ccccc1Cl 34a_100138412506_200000210301 [0,1,1,0,0,0|2,0,0]=4 1637 B12R1.308 COC[C@@H](N)c1ccccc1Br 34a_100161155918_200000210301 [0,1,1,0,0,0|2,0,0]=4 1638 B12R1.308 COC[C@H](N)c1ccccc1F 34a_100009818778_200000210301 [0,1,1,0,0,0|2,0,0]=4 1639 B12R1.308 Cc1ccccc1C(C)NCF 34a_100000181355_100015361967 [0,1,1,0,0,0|2,0,0]=4 1640 B12R1.308 [13CH3]OCC(N)c1ccccc1Cl 34a_100138412506_200025704644 [0,1,1,0,0,0|2,0,0]=4 1641 B12R1.308 [13CH3]OC[C@@H](N)c1ccccc1Br 34a_100161155918_200025704644 [0,1,1,0,0,0|2,0,0]=4 1642 B12R1.308 [13CH3]OC[C@H](N)c1ccccc1F 34a_100009818778_200025704644 [0,1,1,0,0,0|2,0,0]=4 1643 B12R1.1 BrCCOCc1ccc(nc1)Br 34a_100000211926_100009831999 [0,1,1,0,0,0|2,0,0]=4 1644 B12R1.1 C#CCNCc1ccc(nc1)Br 2230a_100009817727_100000038162 [0,1,1,0,0,0|0,0,2]=4 1645 B12R1.1 C#CCNCc1ccc(nc1)Br 34a_100000212058_100009831999 [0,1,1,0,0,0|0,0,2]=4 1646 B12R1.1 C#CCNCc1ccc(nc1)Br 34a_100009817727_100000184674 [0,1,1,0,0,0|0,0,2]=4 1647 B12R1.1 C#CCNCc1ccc(nc1)C 34a_100000212058_100016987292 [0,1,1,0,0,0|0,0,2]=4 1648 B12R1.1 C#CCNCc1ccc(nc1)C 34a_100000740942_100000184674 [0,1,1,0,0,0|0,0,2]=4 1649 B12R1.1 C#CCNCc1ccc(nc1)Cl 2230a_100000735879_100000038162 [0,1,1,0,0,0|0,0,2]=4 1650 B12R1.1 C#CCNCc1ccc(nc1)Cl 34a_100000212058_100000735431 [0,1,1,0,0,0|0,0,2]=4 1651 B12R1.1 C#CCNCc1ccc(nc1)Cl 34a_100000735879_100000184674 [0,1,1,0,0,0|0,0,2]=4 1652 B12R1.1 C#CCNCc1ccc(nc1)F 2230a_100000101913_100000038162 [0,1,1,0,0,0|0,0,2]=4 1653 B12R1.1 C#CCNCc1ccc(nc1)F 34a_100000101913_100000184674 [0,1,1,0,0,0|0,0,2]=4 1654 B12R1.1 C#CCNCc1ccc(nc1)F 34a_100000212058_100000099788 [0,1,1,0,0,0|0,0,2]=4 1655 B12R1.1 C#CCNCc1ccc(nc1)O 2230a_100000757128_100000038162 [0,1,1,0,0,0|0,0,2]=4 1656 B12R1.1 C=CCNCc1ccc(nc1)Br 2230a_100009817727_100000210623 [0,1,1,0,0,0|0,0,2]=4 1657 B12R1.1 C=CCNCc1ccc(nc1)Br 2230a_100020586998_100009831999 [0,1,1,0,0,0|0,0,2]=4 1658 B12R1.1 C=CCNCc1ccc(nc1)Br 34a_100009817727_100015514636 [0,1,1,0,0,0|0,0,2]=4 1659 B12R1.1 C=CCNCc1ccc(nc1)C 2230a_100020586998_100016987292 [0,1,1,0,0,0|0,0,2]=4 1660 B12R1.1 C=CCNCc1ccc(nc1)C 270004a_100020586998_100000743784 [0,1,1,0,0,0|0,0,2]=4 1661 B12R1.1 C=CCNCc1ccc(nc1)C 34a_100000740942_100015514636 [0,1,1,0,0,0|0,0,2]=4 1662 B12R1.1 C=CCNCc1ccc(nc1)Cl 2230a_100000735879_100000210623 [0,1,1,0,0,0|0,0,2]=4 1663 B12R1.1 C=CCNCc1ccc(nc1)Cl 2230a_100020586998_100000735431 [0,1,1,0,0,0|0,0,2]=4 1664 B12R1.1 C=CCNCc1ccc(nc1)Cl 34a_100000735879_100015514636 [0,1,1,0,0,0|0,0,2]=4 1665 B12R1.1 C=CCNCc1ccc(nc1)F 2230a_100000101913_100000210623 [0,1,1,0,0,0|0,0,2]=4 1666 B12R1.1 C=CCNCc1ccc(nc1)F 2230a_100020586998_100009820150 [0,1,1,0,0,0|0,0,2]=4 1667 B12R1.1 C=CCNCc1ccc(nc1)F 34a_100000101913_100015514636 [0,1,1,0,0,0|0,0,2]=4 1668 B12R1.1 C=CCNCc1ccc(nc1)O 2230a_100000757128_100000210623 [0,1,1,0,0,0|0,0,2]=4 1669 B12R1.1 CCCC=Cc1ccc(nc1)Br 271570a_100016258520_100009814638 [0,1,1,0,0,0|1,0,1]=4 1670 B12R1.1 CCCC=Cc1ccc(nc1)C 271570a_100016258520_100000751577 [0,1,1,0,0,0|1,0,1]=4 1671 B12R1.1 CCCC=Cc1ccc(nc1)Cl 271570a_100016258520_100000034144 [0,1,1,0,0,0|1,0,1]=4 1672 B12R1.1 CCCC=Cc1ccc(nc1)F 271570a_100016258520_100000748661 [0,1,1,0,0,0|1,0,1]=4 1673 B12R1.1 CCCC=Cc1ccc(nc1)N 271570a_100016258520_100000187370 [0,1,1,0,0,0|1,0,1]=4 1674 B12R1.1 CCCCCc1ccc(cc1)O 271570a_203496583355_100009813665 [0,1,1,0,0,0|2,0,0]=4 1675 B12R1.1 CCCCCc1cnc(nc1)O 271570a_203496583355_200000062305 [0,1,1,0,0,0|2,0,0]=4 1676 B12R1.1 CCCCOc1ccc(nc1)Br 34a_100000685995_100000210210 [0,1,1,0,0,0|2,0,0]=4 1677 B12R1.1 CCCCOc1ccc(nc1)Br 7a_100000685995_100000210211 [0,1,1,0,0,0|2,0,0]=4 1678 B12R1.1 CCCCOc1ccc(nc1)C 34a_100000745506_100000210210 [0,1,1,0,0,0|2,0,0]=4 1679 B12R1.1 CCCCOc1ccc(nc1)C 7a_100000745506_100000210211 [0,1,1,0,0,0|2,0,0]=4 1680 B12R1.1 CCCCOc1ccc(nc1)Cl 34a_100000744096_100000210210 [0,1,1,0,0,0|2,0,0]=4 1681 B12R1.1 CCCCOc1ccc(nc1)Cl 7a_100000744096_100000210211 [0,1,1,0,0,0|2,0,0]=4 1682 B12R1.1 CCCCOc1ccc(nc1)F 34a_100000688820_100000210210 [0,1,1,0,0,0|2,0,0]=4 1683 B12R1.1 CCCCOc1ccc(nc1)F 7a_100000688820_100000210211 [0,1,1,0,0,0|2,0,0]=4 1684 B12R1.1 CCCCOc1ccc(nc1)I 34a_100000687607_100000210210 [0,1,1,0,0,0|2,0,0]=4 1685 B12R1.1 CCCCOc1ccc(nc1)I 7a_100000687607_100000210211 [0,1,1,0,0,0|2,0,0]=4 1686 B12R1.1 CCCCOc1ccc(nc1)N 34a_100015188713_100000210210 [0,1,1,0,0,0|2,0,0]=4 1687 B12R1.1 CCCCOc1ccc(nc1)N 7a_100015188713_100000210211 [0,1,1,0,0,0|2,0,0]=4 1688 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100000210211_100009814638 [0,1,1,0,0,0|2,0,0]=4 1689 B12R1.1 CCCCSc1ccc(nc1)Br 62a_100009814638_100000210210 [0,1,1,0,0,0|2,0,0]=4 1690 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000210211_100000751577 [0,1,1,0,0,0|2,0,0]=4 1691 B12R1.1 CCCCSc1ccc(nc1)C 62a_100000751577_100000210210 [0,1,1,0,0,0|2,0,0]=4 1692 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000034144_100000210210 [0,1,1,0,0,0|2,0,0]=4 1693 B12R1.1 CCCCSc1ccc(nc1)Cl 62a_100000210211_100000034144 [0,1,1,0,0,0|2,0,0]=4 1694 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000042367_100000210210 [0,1,1,0,0,0|2,0,0]=4 1695 B12R1.1 CCCCSc1ccc(nc1)F 62a_100000210211_100000042367 [0,1,1,0,0,0|2,0,0]=4 1696 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000187370_100000210210 [0,1,1,0,0,0|2,0,0]=4 1697 B12R1.1 CCCCSc1ccc(nc1)N 62a_100000210211_100000187370 [0,1,1,0,0,0|2,0,0]=4 1698 B12R1.1 CCCNCc1ccc(=O)[nH]n1 207a_100020643023_100011361533 [0,1,1,0,0,0|1,0,1]=4 1699 B12R1.1 CCCNCc1ccc(=O)[nH]n1 270004a_100020643023_100011361533 [0,1,1,0,0,0|1,0,1]=4 1700 B12R1.1 CCCNCc1ccc(cc1)Br 207a_100020643023_100000186029 [0,1,1,0,0,0|1,0,0]=3 1701 B12R1.1 CCCNCc1ccc(cc1)Br 2230a_100000174875_100000210303 [0,1,1,0,0,0|1,0,0]=3 1702 B12R1.1 CCCNCc1ccc(cc1)Br 270004a_100020643023_100000186029 [0,1,1,0,0,0|1,0,0]=3 1703 B12R1.1 CCCNCc1ccc(cc1)Br 34a_100000174875_100000210303 [0,1,1,0,0,0|1,0,0]=3 1704 B12R1.1 CCCNCc1ccc(cc1)C 207a_100020643023_100000211033 [0,1,1,0,0,0|1,0,0]=3 1705 B12R1.1 CCCNCc1ccc(cc1)C 2230a_100000174908_100000210303 [0,1,1,0,0,0|1,0,0]=3 1706 B12R1.1 CCCNCc1ccc(cc1)C 270004a_100020643023_100000211033 [0,1,1,0,0,0|1,0,0]=3 1707 B12R1.1 CCCNCc1ccc(cc1)C 34a_100000174908_100000210303 [0,1,1,0,0,0|1,0,0]=3 1708 B12R1.1 CCCNCc1ccc(cc1)Cl 207a_100020643023_100000189385 [0,1,1,0,0,0|1,0,0]=3 1709 B12R1.1 CCCNCc1ccc(cc1)Cl 2230a_100000174871_100000210303 [0,1,1,0,0,0|1,0,0]=3 1710 B12R1.1 CCCNCc1ccc(cc1)Cl 270004a_100020643023_100000189385 [0,1,1,0,0,0|1,0,0]=3 1711 B12R1.1 CCCNCc1ccc(cc1)Cl 34a_100000174871_100000210303 [0,1,1,0,0,0|1,0,0]=3 1712 B12R1.1 CCCNCc1ccc(cc1)F 207a_100020643023_100000210084 [0,1,1,0,0,0|1,0,0]=3 1713 B12R1.1 CCCNCc1ccc(cc1)F 2230a_100000174882_100000210303 [0,1,1,0,0,0|1,0,0]=3 1714 B12R1.1 CCCNCc1ccc(cc1)F 270004a_100020643023_100000210084 [0,1,1,0,0,0|1,0,0]=3 1715 B12R1.1 CCCNCc1ccc(cc1)F 34a_100000174882_100000210303 [0,1,1,0,0,0|1,0,0]=3 1716 B12R1.1 CCCNCc1ccc(cc1)I 207a_100020643023_100000188517 [0,1,1,0,0,0|1,0,0]=3 1717 B12R1.1 CCCNCc1ccc(cc1)I 2230a_100016989417_100000210303 [0,1,1,0,0,0|1,0,0]=3 1718 B12R1.1 CCCNCc1ccc(cc1)I 34a_100016989417_100000210303 [0,1,1,0,0,0|1,0,0]=3 1719 B12R1.1 CCCNCc1ccc(cc1)O 34a_100000185549_100000210303 [0,1,1,0,0,0|1,0,0]=3 1720 B12R1.1 CCCNCc1ccc(cn1)Br 207a_100020643023_100000754260 [0,1,1,0,0,0|2,0,0]=4 1721 B12R1.1 CCCNCc1ccc(cn1)Br 270004a_100020643023_100000754260 [0,1,1,0,0,0|2,0,0]=4 1722 B12R1.1 CCCNCc1ccc(cn1)Br 34a_100015188789_100000210303 [0,1,1,0,0,0|2,0,0]=4 1723 B12R1.1 CCCNCc1ccc(cn1)C 207a_100020643023_100000050478 [0,1,1,0,0,0|2,0,0]=4 1724 B12R1.1 CCCNCc1ccc(cn1)C 270004a_100020643023_100000050478 [0,1,1,0,0,0|2,0,0]=4 1725 B12R1.1 CCCNCc1ccc(cn1)C 34a_100015187455_100000210303 [0,1,1,0,0,0|2,0,0]=4 1726 B12R1.1 CCCNCc1ccc(cn1)Cl 207a_100020643023_100011361569 [0,1,1,0,0,0|2,0,0]=4 1727 B12R1.1 CCCNCc1ccc(cn1)Cl 270004a_100020643023_100011361569 [0,1,1,0,0,0|2,0,0]=4 1728 B12R1.1 CCCNCc1ccc(cn1)Cl 34a_100000697193_100000210303 [0,1,1,0,0,0|2,0,0]=4 1729 B12R1.1 CCCNCc1ccc(cn1)F 207a_100020643023_100011934744 [0,1,1,0,0,0|2,0,0]=4 1730 B12R1.1 CCCNCc1ccc(cn1)F 270004a_100020643023_100011934744 [0,1,1,0,0,0|2,0,0]=4 1731 B12R1.1 CCCNCc1ccc(cn1)F 34a_100020620131_100000210303 [0,1,1,0,0,0|2,0,0]=4 1732 B12R1.1 CCCNCc1ccc(nc1)Br 2230a_100009817727_100000210303 [0,1,1,0,0,0|0,0,0]=2 1733 B12R1.1 CCCNCc1ccc(nc1)Br 34a_100009817727_100000210303 [0,1,1,0,0,0|0,0,0]=2 1734 B12R1.1 CCCNCc1ccc(nc1)C 270004a_100020643023_100000743784 [0,1,1,0,0,0|0,0,0]=2 1735 B12R1.1 CCCNCc1ccc(nc1)C 34a_100000740942_100000210303 [0,1,1,0,0,0|0,0,0]=2 1736 B12R1.1 CCCNCc1ccc(nc1)Cl 2230a_100000735879_100000210303 [0,1,1,0,0,0|0,0,0]=2 1737 B12R1.1 CCCNCc1ccc(nc1)Cl 34a_100000735879_100000210303 [0,1,1,0,0,0|0,0,0]=2 1738 B12R1.1 CCCNCc1ccc(nc1)F 2230a_100000101913_100000210303 [0,1,1,0,0,0|0,0,0]=2 1739 B12R1.1 CCCNCc1ccc(nc1)F 34a_100000101913_100000210303 [0,1,1,0,0,0|0,0,0]=2 1740 B12R1.1 CCCNCc1ccc(nc1)O 207a_100020643023_100011361521 [0,1,1,0,0,0|0,0,0]=2 1741 B12R1.1 CCCNCc1ccc(nc1)O 2230a_100000757128_100000210303 [0,1,1,0,0,0|0,0,0]=2 1742 B12R1.1 CCCNCc1ccc(nn1)Cl 270004a_100020643023_100000044651 [0,1,1,0,0,0|1,0,0]=3 1743 B12R1.1 CCCNCc1cnc(cn1)C 270004a_100020643023_100000685221 [0,1,1,0,0,0|1,0,0]=3 1744 B12R1.1 CCCNCc1cnc(cn1)C 34a_100132314150_100000210303 [0,1,1,0,0,0|1,0,0]=3 1745 B12R1.1 CCCNCc1cnc(cn1)Cl 270004a_100020643023_100012001714 [0,1,1,0,0,0|1,0,0]=3 1746 B12R1.1 CCCNCc1cnc(nc1)C 270004a_100020643023_100011202771 [0,1,1,0,0,0|1,0,0]=3 1747 B12R1.1 CCCOCc1ccc(=O)[nH]c1 34a_100011999846_100000210303 [0,1,1,0,0,0|1,0,1]=4 1748 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000210258_100000189115 [0,1,1,0,0,0|2,0,0]=4 1749 B12R1.1 CCCOCc1ccc(cc1)Br 34a_100000695286_100000210303 [0,1,1,0,0,0|2,0,0]=4 1750 B12R1.1 CCCOCc1ccc(cc1)C 34a_100000210258_100000210814 [0,1,1,0,0,0|2,0,0]=4 1751 B12R1.1 CCCOCc1ccc(cc1)C 34a_100011215236_100000210303 [0,1,1,0,0,0|2,0,0]=4 1752 B12R1.1 CCCOCc1ccc(cc1)C 7a_100011215236_100000210303 [0,1,1,0,0,0|2,0,0]=4 1753 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000210258_100000694040 [0,1,1,0,0,0|2,0,0]=4 1754 B12R1.1 CCCOCc1ccc(cc1)Cl 34a_100000211118_100000210303 [0,1,1,0,0,0|2,0,0]=4 1755 B12R1.1 CCCOCc1ccc(cc1)Cl 7a_100000211118_100000210303 [0,1,1,0,0,0|2,0,0]=4 1756 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210258_100000198546 [0,1,1,0,0,0|2,0,0]=4 1757 B12R1.1 CCCOCc1ccc(cc1)F 34a_100000210977_100000210303 [0,1,1,0,0,0|2,0,0]=4 1758 B12R1.1 CCCOCc1ccc(cc1)F 7a_100000210977_100000210303 [0,1,1,0,0,0|2,0,0]=4 1759 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000210258_100000189116 [0,1,1,0,0,0|2,0,0]=4 1760 B12R1.1 CCCOCc1ccc(cc1)I 34a_100000690907_100000210303 [0,1,1,0,0,0|2,0,0]=4 1761 B12R1.1 CCCOCc1ccc(cc1)I 7a_100000690907_100000210303 [0,1,1,0,0,0|2,0,0]=4 1762 B12R1.1 CCCOCc1ccc(cc1)N 34a_100011215238_100000210303 [0,1,1,0,0,0|2,0,0]=4 1763 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100000210258_100009831999 [0,1,1,0,0,0|1,0,0]=3 1764 B12R1.1 CCCOCc1ccc(nc1)Br 34a_100009816760_100000210303 [0,1,1,0,0,0|1,0,0]=3 1765 B12R1.1 CCCOCc1ccc(nc1)Br 7a_100009816760_100000210303 [0,1,1,0,0,0|1,0,0]=3 1766 B12R1.1 CCCOCc1ccc(nc1)C 34a_100000210258_100016987292 [0,1,1,0,0,0|1,0,0]=3 1767 B12R1.1 CCCOCc1ccc(nc1)C 34a_100011248133_100000210303 [0,1,1,0,0,0|1,0,0]=3 1768 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000210258_100000735431 [0,1,1,0,0,0|1,0,0]=3 1769 B12R1.1 CCCOCc1ccc(nc1)Cl 34a_100000755211_100000210303 [0,1,1,0,0,0|1,0,0]=3 1770 B12R1.1 CCCOCc1ccc(nc1)Cl 7a_100000755211_100000210303 [0,1,1,0,0,0|1,0,0]=3 1771 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000079959_100000210303 [0,1,1,0,0,0|1,0,0]=3 1772 B12R1.1 CCCOCc1ccc(nc1)F 34a_100000210258_100000099788 [0,1,1,0,0,0|1,0,0]=3 1773 B12R1.1 CCCOCc1ccc(nc1)N 34a_100000704267_100000210303 [0,1,1,0,0,0|1,0,0]=3 1774 B12R1.1 CCCOCc1ccc(nn1)Cl 34a_100000210258_100016992710 [0,1,1,0,0,0|2,0,0]=4 1775 B12R1.1 CCCOCc1cnc(cn1)C 34a_100011273949_100000210303 [0,1,1,0,0,0|2,0,0]=4 1776 B12R1.1 CCCOCc1cnc(cn1)Cl 34a_100012002382_100000210303 [0,1,1,0,0,0|2,0,0]=4 1777 B12R1.1 CCCOCc1cnc(nc1)C 34a_100011746891_100000210303 [0,1,1,0,0,0|2,0,0]=4 1778 B12R1.1 CCCOCc1cnc(nc1)Cl 34a_100009855073_100000210303 [0,1,1,0,0,0|2,0,0]=4 1779 B12R1.1 CCCOCc1cnc(nc1)Cl 7a_100009855073_100000210303 [0,1,1,0,0,0|2,0,0]=4 1780 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000189115_100000210303 [0,1,1,0,0,0|2,0,0]=4 1781 B12R1.1 CCCSCc1ccc(cc1)Br 62a_100000210303_100000189115 [0,1,1,0,0,0|2,0,0]=4 1782 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210303_100000210814 [0,1,1,0,0,0|2,0,0]=4 1783 B12R1.1 CCCSCc1ccc(cc1)C 62a_100000210814_100000210303 [0,1,1,0,0,0|2,0,0]=4 1784 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000187161_100000210303 [0,1,1,0,0,0|2,0,0]=4 1785 B12R1.1 CCCSCc1ccc(cc1)Cl 62a_100000210303_100000187161 [0,1,1,0,0,0|2,0,0]=4 1786 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000198546_100000210303 [0,1,1,0,0,0|2,0,0]=4 1787 B12R1.1 CCCSCc1ccc(cc1)F 62a_100000210303_100000187164 [0,1,1,0,0,0|2,0,0]=4 1788 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000189116_100000210303 [0,1,1,0,0,0|2,0,0]=4 1789 B12R1.1 CCCSCc1ccc(cc1)I 62a_100000210303_100000189116 [0,1,1,0,0,0|2,0,0]=4 1790 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100000210303_100009831999 [0,1,1,0,0,0|1,0,0]=3 1791 B12R1.1 CCCSCc1ccc(nc1)Br 62a_100009831999_100000210303 [0,1,1,0,0,0|1,0,0]=3 1792 B12R1.1 CCCSCc1ccc(nc1)C 62a_100000210303_100016987292 [0,1,1,0,0,0|1,0,0]=3 1793 B12R1.1 CCCSCc1ccc(nc1)C 62a_100016987292_100000210303 [0,1,1,0,0,0|1,0,0]=3 1794 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000210303_100000735431 [0,1,1,0,0,0|1,0,0]=3 1795 B12R1.1 CCCSCc1ccc(nc1)Cl 62a_100000735431_100000210303 [0,1,1,0,0,0|1,0,0]=3 1796 B12R1.1 CCCSCc1ccc(nc1)F 62a_100000210303_100000099788 [0,1,1,0,0,0|1,0,0]=3 1797 B12R1.1 CCCSCc1ccc(nc1)F 62a_100009820150_100000210303 [0,1,1,0,0,0|1,0,0]=3 1798 B12R1.1 CCCSCc1ccc(nn1)Cl 62a_100000210303_100016992710 [0,1,1,0,0,0|2,0,0]=4 1799 B12R1.1 CCCSCc1ccc(nn1)Cl 62a_100016992710_100000210303 [0,1,1,0,0,0|2,0,0]=4 1800 B12R1.1 CCCSCc1cnc(cn1)C 62a_100000210303_100000752025 [0,1,1,0,0,0|2,0,0]=4 1801 B12R1.1 CCCSCc1cnc(cn1)C 62a_100000752025_100000210303 [0,1,1,0,0,0|2,0,0]=4 1802 B12R1.1 CCOCCc1ccc(nc1)C 34a_100011815783_100000210202 [0,1,1,0,0,0|2,0,0]=4 1803 B12R1.1 CCOCCc1ccc(nc1)Cl 34a_100009880866_100000210202 [0,1,1,0,0,0|2,0,0]=4 1804 B12R1.1 CCOCCc1ccc(nc1)Cl 7a_100009880866_100000210202 [0,1,1,0,0,0|2,0,0]=4 1805 B12R1.1 COCNCc1ccc(cc1)Br 2230a_100000174875_100000766300 [0,1,1,0,0,0|2,0,0]=4 1806 B12R1.1 COCNCc1ccc(cc1)C 2230a_100000174908_100000766300 [0,1,1,0,0,0|2,0,0]=4 1807 B12R1.1 COCNCc1ccc(cc1)Cl 2230a_100000174871_100000766300 [0,1,1,0,0,0|2,0,0]=4 1808 B12R1.1 COCNCc1ccc(cc1)F 2230a_100000174882_100000766300 [0,1,1,0,0,0|2,0,0]=4 1809 B12R1.1 COCNCc1ccc(cc1)I 2230a_100016989417_100000766300 [0,1,1,0,0,0|2,0,0]=4 1810 B12R1.1 COCNCc1ccc(nc1)Br 2230a_100009817727_100000766300 [0,1,1,0,0,0|1,0,0]=3 1811 B12R1.1 COCNCc1ccc(nc1)Cl 2230a_100000735879_100000766300 [0,1,1,0,0,0|1,0,0]=3 1812 B12R1.1 COCNCc1ccc(nc1)F 2230a_100000101913_100000766300 [0,1,1,0,0,0|1,0,0]=3 1813 B12R1.1 COCNCc1ccc(nc1)O 2230a_100000757128_100000766300 [0,1,1,0,0,0|1,0,0]=3 1814 B12R1.1 COCSCc1ccc(nc1)Br 62a_100000766300_100009831999 [0,1,1,0,0,0|2,0,0]=4 1815 B12R1.1 COCSCc1ccc(nc1)Br 62a_100009831999_100000766300 [0,1,1,0,0,0|2,0,0]=4 1816 B12R1.1 COCSCc1ccc(nc1)C 62a_100000766300_100016987292 [0,1,1,0,0,0|2,0,0]=4 1817 B12R1.1 COCSCc1ccc(nc1)C 62a_100016987292_100000766300 [0,1,1,0,0,0|2,0,0]=4 1818 B12R1.1 COCSCc1ccc(nc1)Cl 62a_100000735431_100000766300 [0,1,1,0,0,0|2,0,0]=4 1819 B12R1.1 COCSCc1ccc(nc1)Cl 62a_100000766300_100000735431 [0,1,1,0,0,0|2,0,0]=4 1820 B12R1.1 COCSCc1ccc(nc1)F 62a_100000766300_100000099788 [0,1,1,0,0,0|2,0,0]=4 1821 B12R1.1 COCSCc1ccc(nc1)F 62a_100009820150_100000766300 [0,1,1,0,0,0|2,0,0]=4 1822 B12R1.1 CSCNCc1ccc(cc1)Br 2230a_100000174875_100011218213 [0,1,1,0,0,0|2,0,0]=4 1823 B12R1.1 CSCNCc1ccc(cc1)Br 34a_100000174875_100011218213 [0,1,1,0,0,0|2,0,0]=4 1824 B12R1.1 CSCNCc1ccc(cc1)C 2230a_100000174908_100011218213 [0,1,1,0,0,0|2,0,0]=4 1825 B12R1.1 CSCNCc1ccc(cc1)C 34a_100000174908_100011218213 [0,1,1,0,0,0|2,0,0]=4 1826 B12R1.1 CSCNCc1ccc(cc1)Cl 2230a_100000174871_100011218213 [0,1,1,0,0,0|2,0,0]=4 1827 B12R1.1 CSCNCc1ccc(cc1)Cl 34a_100000174871_100011218213 [0,1,1,0,0,0|2,0,0]=4 1828 B12R1.1 CSCNCc1ccc(cc1)F 2230a_100000174882_100011218213 [0,1,1,0,0,0|2,0,0]=4 1829 B12R1.1 CSCNCc1ccc(cc1)F 34a_100000174882_100011218213 [0,1,1,0,0,0|2,0,0]=4 1830 B12R1.1 CSCNCc1ccc(cc1)I 2230a_100016989417_100011218213 [0,1,1,0,0,0|2,0,0]=4 1831 B12R1.1 CSCNCc1ccc(cc1)I 34a_100016989417_100011218213 [0,1,1,0,0,0|2,0,0]=4 1832 B12R1.1 CSCNCc1ccc(cc1)O 34a_100000185549_100011218213 [0,1,1,0,0,0|2,0,0]=4 1833 B12R1.1 CSCNCc1ccc(nc1)Br 2230a_100009817727_100011218213 [0,1,1,0,0,0|1,0,0]=3 1834 B12R1.1 CSCNCc1ccc(nc1)Br 34a_100009817727_100011218213 [0,1,1,0,0,0|1,0,0]=3 1835 B12R1.1 CSCNCc1ccc(nc1)C 34a_100000740942_100011218213 [0,1,1,0,0,0|1,0,0]=3 1836 B12R1.1 CSCNCc1ccc(nc1)Cl 2230a_100000735879_100011218213 [0,1,1,0,0,0|1,0,0]=3 1837 B12R1.1 CSCNCc1ccc(nc1)Cl 34a_100000735879_100011218213 [0,1,1,0,0,0|1,0,0]=3 1838 B12R1.1 CSCNCc1ccc(nc1)F 2230a_100000101913_100011218213 [0,1,1,0,0,0|1,0,0]=3 1839 B12R1.1 CSCNCc1ccc(nc1)F 34a_100000101913_100011218213 [0,1,1,0,0,0|1,0,0]=3 1840 B12R1.1 CSCNCc1ccc(nc1)O 2230a_100000757128_100011218213 [0,1,1,0,0,0|1,0,0]=3 1841 B12R1.1 CSCNCc1cnc(cn1)C 34a_100132314150_100011218213 [0,1,1,0,0,0|2,0,0]=4 1842 B12R1.1 CSCOCc1ccc(nc1)Br 34a_100009816760_100011218213 [0,1,1,0,0,0|2,0,0]=4 1843 B12R1.1 CSCOCc1ccc(nc1)C 34a_100011248133_100011218213 [0,1,1,0,0,0|2,0,0]=4 1844 B12R1.1 CSCOCc1ccc(nc1)Cl 34a_100000755211_100011218213 [0,1,1,0,0,0|2,0,0]=4 1845 B12R1.1 CSCOCc1ccc(nc1)F 34a_100000079959_100011218213 [0,1,1,0,0,0|2,0,0]=4 1846 B12R1.1 CSCOCc1ccc(nc1)N 34a_100000704267_100011218213 [0,1,1,0,0,0|2,0,0]=4 1847 B12R1.1 CSCSCc1ccc(nc1)Br 62a_100009831999_100011218213 [0,1,1,0,0,0|2,0,0]=4 1848 B12R1.1 CSCSCc1ccc(nc1)Br 62a_100011218213_100009831999 [0,1,1,0,0,0|2,0,0]=4 1849 B12R1.1 CSCSCc1ccc(nc1)C 62a_100011218213_100016987292 [0,1,1,0,0,0|2,0,0]=4 1850 B12R1.1 CSCSCc1ccc(nc1)C 62a_100016987292_100011218213 [0,1,1,0,0,0|2,0,0]=4 1851 B12R1.1 CSCSCc1ccc(nc1)Cl 62a_100000735431_100011218213 [0,1,1,0,0,0|2,0,0]=4 1852 B12R1.1 CSCSCc1ccc(nc1)Cl 62a_100011218213_100000735431 [0,1,1,0,0,0|2,0,0]=4 1853 B12R1.1 CSCSCc1ccc(nc1)F 62a_100009820150_100011218213 [0,1,1,0,0,0|2,0,0]=4 1854 B12R1.1 CSCSCc1ccc(nc1)F 62a_100011218213_100000099788 [0,1,1,0,0,0|2,0,0]=4 1855 B12R1.1 Cc1ccc(cc1)CNCCF 2230a_100000174908_100011217306 [0,1,1,0,0,0|2,0,0]=4 1856 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000174908_100011217306 [0,1,1,0,0,0|2,0,0]=4 1857 B12R1.1 Cc1ccc(cc1)CNCCF 34a_100000724931_100000210814 [0,1,1,0,0,0|2,0,0]=4 1858 B12R1.1 Cc1ccc(cc1)CNCCO 207a_100000210304_100000211033 [0,1,1,0,0,0|2,0,0]=4 1859 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100000174908_100000211926 [0,1,1,0,0,0|2,0,0]=4 1860 B12R1.1 Cc1ccc(cc1)CNCCO 2230a_100016997473_100000210814 [0,1,1,0,0,0|2,0,0]=4 1861 B12R1.1 Cc1ccc(cc1)CNCCO 270004a_100000210304_100000211033 [0,1,1,0,0,0|2,0,0]=4 1862 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100000174908_100000211926 [0,1,1,0,0,0|2,0,0]=4 1863 B12R1.1 Cc1ccc(cc1)CNCCO 34a_100016990907_100000210814 [0,1,1,0,0,0|2,0,0]=4 1864 B12R1.1 Cc1ccc(cc1)COCCN 34a_100000210304_100000210814 [0,1,1,0,0,0|2,0,0]=4 1865 B12R1.1 Cc1ccc(cn1)CCOCF 34a_100011815783_100015361967 [0,1,1,0,0,0|2,0,0]=4 1866 B12R1.1 Cc1ccc(cn1)CNCC=O 34a_100000740942_200009817547 [0,1,1,0,0,0|1,0,1]=4 1867 B12R1.1 Cc1ccc(cn1)CNCCF 34a_100000724931_100016987292 [0,1,1,0,0,0|1,0,0]=3 1868 B12R1.1 Cc1ccc(cn1)CNCCF 34a_100000740942_100011217306 [0,1,1,0,0,0|1,0,0]=3 1869 B12R1.1 Cc1ccc(cn1)CNCCO 2230a_100016997473_100016987292 [0,1,1,0,0,0|1,0,0]=3 1870 B12R1.1 Cc1ccc(cn1)CNCCO 270004a_100000210304_100000743784 [0,1,1,0,0,0|1,0,0]=3 1871 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100000740942_100000211926 [0,1,1,0,0,0|1,0,0]=3 1872 B12R1.1 Cc1ccc(cn1)CNCCO 34a_100016990907_100016987292 [0,1,1,0,0,0|1,0,0]=3 1873 B12R1.1 Cc1ccc(cn1)COCCBr 34a_100000211926_100016987292 [0,1,1,0,0,0|2,0,0]=4 1874 B12R1.1 Cc1ccc(cn1)COCCF 34a_100011248133_100011217306 [0,1,1,0,0,0|2,0,0]=4 1875 B12R1.1 Cc1ccc(cn1)COCCN 34a_100000210304_100016987292 [0,1,1,0,0,0|1,0,0]=3 1876 B12R1.1 Cc1ccc(cn1)COCCO 34a_100011248133_100000211926 [0,1,1,0,0,0|2,0,0]=4 1877 B12R1.1 Cc1ccc(cn1)CSCCF 62a_100011217306_100016987292 [0,1,1,0,0,0|2,0,0]=4 1878 B12R1.1 Cc1ccc(cn1)CSCCF 62a_100016987292_100011217306 [0,1,1,0,0,0|2,0,0]=4 1879 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100000211926_100016987292 [0,1,1,0,0,0|2,0,0]=4 1880 B12R1.1 Cc1ccc(cn1)CSCCO 62a_100016987292_100000211926 [0,1,1,0,0,0|2,0,0]=4 1881 B12R1.1 Cc1ccc(cn1)OCCCF 34a_100000745506_100011934791 [0,1,1,0,0,0|2,0,0]=4 1882 B12R1.1 Cc1ccc(cn1)OCCCF 7a_100000745506_100011934791 [0,1,1,0,0,0|2,0,0]=4 1883 B12R1.1 Cc1ccc(cn1)OCCCO 34a_100000745506_100000230001 [0,1,1,0,0,0|2,0,0]=4 1884 B12R1.1 Cc1ccc(cn1)OCCCO 7a_100000745506_100011215043 [0,1,1,0,0,0|2,0,0]=4 1885 B12R1.1 Cc1ccc(cn1)SCCCF 62a_100000751577_100011934791 [0,1,1,0,0,0|2,0,0]=4 1886 B12R1.1 Cc1ccc(cn1)SCCCF 62a_100011934791_100000751577 [0,1,1,0,0,0|2,0,0]=4 1887 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100000751577_100011215043 [0,1,1,0,0,0|2,0,0]=4 1888 B12R1.1 Cc1ccc(cn1)SCCCO 62a_100011215043_100000751577 [0,1,1,0,0,0|2,0,0]=4 1889 B12R1.1 Cc1cnc(cn1)CNCCF 34a_100132314150_100011217306 [0,1,1,0,0,0|2,0,0]=4 1890 B12R1.1 Cc1cnc(cn1)CNCCO 2230a_100016997473_100000752025 [0,1,1,0,0,0|2,0,0]=4 1891 B12R1.1 Cc1cnc(cn1)CNCCO 270004a_100000210304_100000685221 [0,1,1,0,0,0|2,0,0]=4 1892 B12R1.1 Cc1cnc(cn1)CNCCO 34a_100132314150_100000211926 [0,1,1,0,0,0|2,0,0]=4 1893 B12R1.1 Cc1ncc(cn1)CNCCO 270004a_100000210304_100011202771 [0,1,1,0,0,0|2,0,0]=4 1894 B12R1.1 Clc1ccc(cn1)COCCBr 34a_100000211926_100000735431 [0,1,1,0,0,0|2,0,0]=4 1895 B12R1.1 FCCCOc1ccc(nc1)Br 34a_100000685995_100011934791 [0,1,1,0,0,0|2,0,0]=4 1896 B12R1.1 FCCCOc1ccc(nc1)Br 7a_100000685995_100011934791 [0,1,1,0,0,0|2,0,0]=4 1897 B12R1.1 FCCCOc1ccc(nc1)Cl 34a_100000744096_100011934791 [0,1,1,0,0,0|2,0,0]=4 1898 B12R1.1 FCCCOc1ccc(nc1)Cl 7a_100000744096_100011934791 [0,1,1,0,0,0|2,0,0]=4 1899 B12R1.1 FCCCOc1ccc(nc1)F 34a_100000688820_100011934791 [0,1,1,0,0,0|2,0,0]=4 1900 B12R1.1 FCCCOc1ccc(nc1)F 7a_100000688820_100011934791 [0,1,1,0,0,0|2,0,0]=4 1901 B12R1.1 FCCCOc1ccc(nc1)I 34a_100000687607_100011934791 [0,1,1,0,0,0|2,0,0]=4 1902 B12R1.1 FCCCOc1ccc(nc1)I 7a_100000687607_100011934791 [0,1,1,0,0,0|2,0,0]=4 1903 B12R1.1 FCCCSc1ccc(nc1)Br 62a_100009814638_100011934791 [0,1,1,0,0,0|2,0,0]=4 1904 B12R1.1 FCCCSc1ccc(nc1)Br 62a_100011934791_100009814638 [0,1,1,0,0,0|2,0,0]=4 1905 B12R1.1 FCCCSc1ccc(nc1)Cl 62a_100000034144_100011934791 [0,1,1,0,0,0|2,0,0]=4 1906 B12R1.1 FCCCSc1ccc(nc1)Cl 62a_100011934791_100000034144 [0,1,1,0,0,0|2,0,0]=4 1907 B12R1.1 FCCCSc1ccc(nc1)F 62a_100000042367_100011934791 [0,1,1,0,0,0|2,0,0]=4 1908 B12R1.1 FCCCSc1ccc(nc1)F 62a_100011934791_100000042367 [0,1,1,0,0,0|2,0,0]=4 1909 B12R1.1 FCCNCc1ccc(cc1)Br 2230a_100000174875_100011217306 [0,1,1,0,0,0|2,0,0]=4 1910 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000174875_100011217306 [0,1,1,0,0,0|2,0,0]=4 1911 B12R1.1 FCCNCc1ccc(cc1)Br 34a_100000724931_100000189115 [0,1,1,0,0,0|2,0,0]=4 1912 B12R1.1 FCCNCc1ccc(cc1)Cl 2230a_100000174871_100011217306 [0,1,1,0,0,0|2,0,0]=4 1913 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000174871_100011217306 [0,1,1,0,0,0|2,0,0]=4 1914 B12R1.1 FCCNCc1ccc(cc1)Cl 34a_100000724931_100000694040 [0,1,1,0,0,0|2,0,0]=4 1915 B12R1.1 FCCNCc1ccc(cc1)F 2230a_100000174882_100011217306 [0,1,1,0,0,0|2,0,0]=4 1916 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000174882_100011217306 [0,1,1,0,0,0|2,0,0]=4 1917 B12R1.1 FCCNCc1ccc(cc1)F 34a_100000724931_100000198546 [0,1,1,0,0,0|2,0,0]=4 1918 B12R1.1 FCCNCc1ccc(cc1)I 2230a_100016989417_100011217306 [0,1,1,0,0,0|2,0,0]=4 1919 B12R1.1 FCCNCc1ccc(cc1)I 34a_100000724931_100000189116 [0,1,1,0,0,0|2,0,0]=4 1920 B12R1.1 FCCNCc1ccc(cc1)I 34a_100016989417_100011217306 [0,1,1,0,0,0|2,0,0]=4 1921 B12R1.1 FCCNCc1ccc(nc1)Br 2230a_100009817727_100011217306 [0,1,1,0,0,0|1,0,0]=3 1922 B12R1.1 FCCNCc1ccc(nc1)Br 34a_100000724931_100009831999 [0,1,1,0,0,0|1,0,0]=3 1923 B12R1.1 FCCNCc1ccc(nc1)Br 34a_100009817727_100011217306 [0,1,1,0,0,0|1,0,0]=3 1924 B12R1.1 FCCNCc1ccc(nc1)Cl 2230a_100000735879_100011217306 [0,1,1,0,0,0|1,0,0]=3 1925 B12R1.1 FCCNCc1ccc(nc1)Cl 34a_100000724931_100000735431 [0,1,1,0,0,0|1,0,0]=3 1926 B12R1.1 FCCNCc1ccc(nc1)Cl 34a_100000735879_100011217306 [0,1,1,0,0,0|1,0,0]=3 1927 B12R1.1 FCCNCc1ccc(nc1)F 2230a_100000101913_100011217306 [0,1,1,0,0,0|1,0,0]=3 1928 B12R1.1 FCCNCc1ccc(nc1)F 34a_100000101913_100011217306 [0,1,1,0,0,0|1,0,0]=3 1929 B12R1.1 FCCNCc1ccc(nc1)F 34a_100000724931_100000099788 [0,1,1,0,0,0|1,0,0]=3 1930 B12R1.1 FCCNCc1ccc(nn1)Cl 34a_100000724931_100016992710 [0,1,1,0,0,0|2,0,0]=4 1931 B12R1.1 FCCOCc1ccc(nc1)Br 34a_100009816760_100011217306 [0,1,1,0,0,0|2,0,0]=4 1932 B12R1.1 FCCOCc1ccc(nc1)Br 7a_100009816760_100011217306 [0,1,1,0,0,0|2,0,0]=4 1933 B12R1.1 FCCOCc1ccc(nc1)Cl 34a_100000755211_100011217306 [0,1,1,0,0,0|2,0,0]=4 1934 B12R1.1 FCCOCc1ccc(nc1)Cl 7a_100000755211_100011217306 [0,1,1,0,0,0|2,0,0]=4 1935 B12R1.1 FCCOCc1ccc(nc1)F 34a_100000079959_100011217306 [0,1,1,0,0,0|2,0,0]=4 1936 B12R1.1 FCCSCc1ccc(nc1)Br 62a_100009831999_100011217306 [0,1,1,0,0,0|2,0,0]=4 1937 B12R1.1 FCCSCc1ccc(nc1)Br 62a_100011217306_100009831999 [0,1,1,0,0,0|2,0,0]=4 1938 B12R1.1 FCCSCc1ccc(nc1)Cl 62a_100000735431_100011217306 [0,1,1,0,0,0|2,0,0]=4 1939 B12R1.1 FCCSCc1ccc(nc1)Cl 62a_100011217306_100000735431 [0,1,1,0,0,0|2,0,0]=4 1940 B12R1.1 FCCSCc1ccc(nc1)F 62a_100009820150_100011217306 [0,1,1,0,0,0|2,0,0]=4 1941 B12R1.1 FCCSCc1ccc(nc1)F 62a_100011217306_100000099788 [0,1,1,0,0,0|2,0,0]=4 1942 B12R1.1 FCOCCc1ccc(nc1)Cl 34a_100009880866_100015361967 [0,1,1,0,0,0|2,0,0]=4 1943 B12R1.1 FCOCCc1ccc(nc1)Cl 7a_100009880866_100015361967 [0,1,1,0,0,0|2,0,0]=4 1944 B12R1.1 Fc1ccc(cn1)COCCBr 34a_100000211926_100000099788 [0,1,1,0,0,0|2,0,0]=4 1945 B12R1.1 N#CCNCc1ccc(nc1)Br 2230a_100009817727_100011215382 [0,1,1,0,0,0|1,0,1]=4 1946 B12R1.1 N#CCNCc1ccc(nc1)Cl 2230a_100000735879_100011215382 [0,1,1,0,0,0|1,0,1]=4 1947 B12R1.1 N#CCNCc1ccc(nc1)F 2230a_100000101913_100011215382 [0,1,1,0,0,0|1,0,1]=4 1948 B12R1.1 N#CCNCc1ccc(nc1)O 2230a_100000757128_100011215382 [0,1,1,0,0,0|1,0,1]=4 1949 B12R1.1 NCCOCc1ccc(cc1)Br 34a_100000210304_100000189115 [0,1,1,0,0,0|2,0,0]=4 1950 B12R1.1 NCCOCc1ccc(cc1)Cl 34a_100000210304_100000694040 [0,1,1,0,0,0|2,0,0]=4 1951 B12R1.1 NCCOCc1ccc(cc1)F 34a_100000210304_100000198546 [0,1,1,0,0,0|2,0,0]=4 1952 B12R1.1 NCCOCc1ccc(cc1)I 34a_100000210304_100000189116 [0,1,1,0,0,0|2,0,0]=4 1953 B12R1.1 NCCOCc1ccc(nc1)Br 34a_100000210304_100009831999 [0,1,1,0,0,0|1,0,0]=3 1954 B12R1.1 NCCOCc1ccc(nc1)Cl 34a_100000210304_100000735431 [0,1,1,0,0,0|1,0,0]=3 1955 B12R1.1 NCCOCc1ccc(nc1)F 34a_100000210304_100000099788 [0,1,1,0,0,0|1,0,0]=3 1956 B12R1.1 NCCOCc1ccc(nn1)Cl 34a_100000210304_100016992710 [0,1,1,0,0,0|2,0,0]=4 1957 B12R1.1 Nc1ccc(cn1)COCCF 34a_100000704267_100011217306 [0,1,1,0,0,0|2,0,0]=4 1958 B12R1.1 Nc1ccc(cn1)COCCO 34a_100000704267_100000211926 [0,1,1,0,0,0|2,0,0]=4 1959 B12R1.1 Nc1ccc(cn1)OCCCF 34a_100015188713_100011934791 [0,1,1,0,0,0|2,0,0]=4 1960 B12R1.1 Nc1ccc(cn1)OCCCF 7a_100015188713_100011934791 [0,1,1,0,0,0|2,0,0]=4 1961 B12R1.1 Nc1ccc(cn1)OCCCO 34a_100015188713_100000230001 [0,1,1,0,0,0|2,0,0]=4 1962 B12R1.1 Nc1ccc(cn1)OCCCO 7a_100015188713_100011215043 [0,1,1,0,0,0|2,0,0]=4 1963 B12R1.1 Nc1ccc(cn1)SCCCF 62a_100000187370_100011934791 [0,1,1,0,0,0|2,0,0]=4 1964 B12R1.1 Nc1ccc(cn1)SCCCF 62a_100011934791_100000187370 [0,1,1,0,0,0|2,0,0]=4 1965 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100000187370_100011215043 [0,1,1,0,0,0|2,0,0]=4 1966 B12R1.1 Nc1ccc(cn1)SCCCO 62a_100011215043_100000187370 [0,1,1,0,0,0|2,0,0]=4 1967 B12R1.1 O=CCNCc1ccc(nc1)Br 2230a_100009817727_200015260668 [0,1,1,0,0,0|1,0,1]=4 1968 B12R1.1 O=CCNCc1ccc(nc1)Br 34a_100009817727_200009817547 [0,1,1,0,0,0|1,0,1]=4 1969 B12R1.1 O=CCNCc1ccc(nc1)Cl 2230a_100000735879_200015260668 [0,1,1,0,0,0|1,0,1]=4 1970 B12R1.1 O=CCNCc1ccc(nc1)Cl 34a_100000735879_200009817547 [0,1,1,0,0,0|1,0,1]=4 1971 B12R1.1 O=CCNCc1ccc(nc1)F 2230a_100000101913_200015260668 [0,1,1,0,0,0|1,0,1]=4 1972 B12R1.1 O=CCNCc1ccc(nc1)F 34a_100000101913_200009817547 [0,1,1,0,0,0|1,0,1]=4 1973 B12R1.1 O=CCNCc1ccc(nc1)O 2230a_100000757128_200015260668 [0,1,1,0,0,0|1,0,1]=4 1974 B12R1.1 OCCCOc1ccc(nc1)Br 34a_100000685995_100000230001 [0,1,1,0,0,0|2,0,0]=4 1975 B12R1.1 OCCCOc1ccc(nc1)Br 7a_100000685995_100011215043 [0,1,1,0,0,0|2,0,0]=4 1976 B12R1.1 OCCCOc1ccc(nc1)Cl 34a_100000744096_100000230001 [0,1,1,0,0,0|2,0,0]=4 1977 B12R1.1 OCCCOc1ccc(nc1)Cl 7a_100000744096_100011215043 [0,1,1,0,0,0|2,0,0]=4 1978 B12R1.1 OCCCOc1ccc(nc1)F 34a_100000688820_100000230001 [0,1,1,0,0,0|2,0,0]=4 1979 B12R1.1 OCCCOc1ccc(nc1)F 7a_100000688820_100011215043 [0,1,1,0,0,0|2,0,0]=4 1980 B12R1.1 OCCCOc1ccc(nc1)I 34a_100000687607_100000230001 [0,1,1,0,0,0|2,0,0]=4 1981 B12R1.1 OCCCOc1ccc(nc1)I 7a_100000687607_100011215043 [0,1,1,0,0,0|2,0,0]=4 1982 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100009814638_100011215043 [0,1,1,0,0,0|2,0,0]=4 1983 B12R1.1 OCCCSc1ccc(nc1)Br 62a_100011215043_100009814638 [0,1,1,0,0,0|2,0,0]=4 1984 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100000034144_100011215043 [0,1,1,0,0,0|2,0,0]=4 1985 B12R1.1 OCCCSc1ccc(nc1)Cl 62a_100011215043_100000034144 [0,1,1,0,0,0|2,0,0]=4 1986 B12R1.1 OCCCSc1ccc(nc1)F 62a_100000042367_100011215043 [0,1,1,0,0,0|2,0,0]=4 1987 B12R1.1 OCCCSc1ccc(nc1)F 62a_100011215043_100000042367 [0,1,1,0,0,0|2,0,0]=4 1988 B12R1.1 OCCNCc1ccc(cc1)Br 207a_100000210304_100000186029 [0,1,1,0,0,0|2,0,0]=4 1989 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100000174875_100000211926 [0,1,1,0,0,0|2,0,0]=4 1990 B12R1.1 OCCNCc1ccc(cc1)Br 2230a_100016997473_100011217064 [0,1,1,0,0,0|2,0,0]=4 1991 B12R1.1 OCCNCc1ccc(cc1)Br 270004a_100000210304_100000186029 [0,1,1,0,0,0|2,0,0]=4 1992 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100000174875_100000211926 [0,1,1,0,0,0|2,0,0]=4 1993 B12R1.1 OCCNCc1ccc(cc1)Br 34a_100016990907_100000189115 [0,1,1,0,0,0|2,0,0]=4 1994 B12R1.1 OCCNCc1ccc(cc1)Cl 207a_100000210304_100000189385 [0,1,1,0,0,0|2,0,0]=4 1995 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100000174871_100000211926 [0,1,1,0,0,0|2,0,0]=4 1996 B12R1.1 OCCNCc1ccc(cc1)Cl 2230a_100016997473_100000694040 [0,1,1,0,0,0|2,0,0]=4 1997 B12R1.1 OCCNCc1ccc(cc1)Cl 270004a_100000210304_100000189385 [0,1,1,0,0,0|2,0,0]=4 1998 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100000174871_100000211926 [0,1,1,0,0,0|2,0,0]=4 1999 B12R1.1 OCCNCc1ccc(cc1)Cl 34a_100016990907_100000694040 [0,1,1,0,0,0|2,0,0]=4 2000 B12R1.1 OCCNCc1ccc(cc1)F 207a_100000210304_100000210084 [0,1,1,0,0,0|2,0,0]=4 2001 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100000174882_100000211926 [0,1,1,0,0,0|2,0,0]=4 2002 B12R1.1 OCCNCc1ccc(cc1)F 2230a_100016997473_100000198546 [0,1,1,0,0,0|2,0,0]=4 2003 B12R1.1 OCCNCc1ccc(cc1)F 270004a_100000210304_100000210084 [0,1,1,0,0,0|2,0,0]=4 2004 B12R1.1 OCCNCc1ccc(cc1)F 34a_100000174882_100000211926 [0,1,1,0,0,0|2,0,0]=4 2005 B12R1.1 OCCNCc1ccc(cc1)F 34a_100016990907_100000198546 [0,1,1,0,0,0|2,0,0]=4 2006 B12R1.1 OCCNCc1ccc(cc1)I 207a_100000210304_100000188517 [0,1,1,0,0,0|2,0,0]=4 2007 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016989417_100000211926 [0,1,1,0,0,0|2,0,0]=4 2008 B12R1.1 OCCNCc1ccc(cc1)I 2230a_100016997473_100000189116 [0,1,1,0,0,0|2,0,0]=4 2009 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016989417_100000211926 [0,1,1,0,0,0|2,0,0]=4 2010 B12R1.1 OCCNCc1ccc(cc1)I 34a_100016990907_100000189116 [0,1,1,0,0,0|2,0,0]=4 2011 B12R1.1 OCCNCc1ccc(cc1)O 271570a_203496583355_100000186819 [0,1,1,0,0,0|2,0,0]=4 2012 B12R1.1 OCCNCc1ccc(cc1)O 34a_100000185549_100000211926 [0,1,1,0,0,0|2,0,0]=4 2013 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100009817727_100000211926 [0,1,1,0,0,0|1,0,0]=3 2014 B12R1.1 OCCNCc1ccc(nc1)Br 2230a_100016997473_100009831999 [0,1,1,0,0,0|1,0,0]=3 2015 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100009817727_100000211926 [0,1,1,0,0,0|1,0,0]=3 2016 B12R1.1 OCCNCc1ccc(nc1)Br 34a_100016990907_100009831999 [0,1,1,0,0,0|1,0,0]=3 2017 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100000735879_100000211926 [0,1,1,0,0,0|1,0,0]=3 2018 B12R1.1 OCCNCc1ccc(nc1)Cl 2230a_100016997473_100000735431 [0,1,1,0,0,0|1,0,0]=3 2019 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100000735879_100000211926 [0,1,1,0,0,0|1,0,0]=3 2020 B12R1.1 OCCNCc1ccc(nc1)Cl 34a_100016990907_100000735431 [0,1,1,0,0,0|1,0,0]=3 2021 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100000101913_100000211926 [0,1,1,0,0,0|1,0,0]=3 2022 B12R1.1 OCCNCc1ccc(nc1)F 2230a_100016997473_100009820150 [0,1,1,0,0,0|1,0,0]=3 2023 B12R1.1 OCCNCc1ccc(nc1)F 34a_100000101913_100000211926 [0,1,1,0,0,0|1,0,0]=3 2024 B12R1.1 OCCNCc1ccc(nc1)F 34a_100016990907_100000099788 [0,1,1,0,0,0|1,0,0]=3 2025 B12R1.1 OCCNCc1ccc(nc1)O 207a_100000210304_100011361521 [0,1,1,0,0,0|1,0,0]=3 2026 B12R1.1 OCCNCc1ccc(nc1)O 2230a_100000757128_100000211926 [0,1,1,0,0,0|1,0,0]=3 2027 B12R1.1 OCCNCc1ccc(nn1)Cl 2230a_100016997473_100016992710 [0,1,1,0,0,0|2,0,0]=4 2028 B12R1.1 OCCNCc1ccc(nn1)Cl 270004a_100000210304_100000044651 [0,1,1,0,0,0|2,0,0]=4 2029 B12R1.1 OCCNCc1ccc(nn1)Cl 34a_100016990907_100016992710 [0,1,1,0,0,0|2,0,0]=4 2030 B12R1.1 OCCNCc1cnc(cn1)Cl 270004a_100000210304_100012001714 [0,1,1,0,0,0|2,0,0]=4 2031 B12R1.1 OCCOCc1ccc(nc1)Br 34a_100009816760_100000211926 [0,1,1,0,0,0|2,0,0]=4 2032 B12R1.1 OCCOCc1ccc(nc1)Br 7a_100009816760_100000211926 [0,1,1,0,0,0|2,0,0]=4 2033 B12R1.1 OCCOCc1ccc(nc1)Cl 34a_100000755211_100000211926 [0,1,1,0,0,0|2,0,0]=4 2034 B12R1.1 OCCOCc1ccc(nc1)Cl 7a_100000755211_100000211926 [0,1,1,0,0,0|2,0,0]=4 2035 B12R1.1 OCCOCc1ccc(nc1)F 34a_100000079959_100000211926 [0,1,1,0,0,0|2,0,0]=4 2036 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100000211926_100009831999 [0,1,1,0,0,0|2,0,0]=4 2037 B12R1.1 OCCSCc1ccc(nc1)Br 62a_100009831999_100000211926 [0,1,1,0,0,0|2,0,0]=4 2038 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000211926_100000735431 [0,1,1,0,0,0|2,0,0]=4 2039 B12R1.1 OCCSCc1ccc(nc1)Cl 62a_100000735431_100000211926 [0,1,1,0,0,0|2,0,0]=4 2040 B12R1.1 OCCSCc1ccc(nc1)F 62a_100000211926_100000099788 [0,1,1,0,0,0|2,0,0]=4 2041 B12R1.1 OCCSCc1ccc(nc1)F 62a_100009820150_100000211926 [0,1,1,0,0,0|2,0,0]=4 2042 B12R1.1 Oc1ccc(cc1)CNCCF 34a_100000185549_100011217306 [0,1,1,0,0,0|2,0,0]=4 2043 B12R1.1 Oc1ccc(cn1)CNCCF 2230a_100000757128_100011217306 [0,1,1,0,0,0|1,0,0]=3 2044 B12R1.8 BrCCCOCc1ccccc1 34a_100011217188_100015291786 [0,1,1,0,0,0|2,0,0]=4 2045 B12R1.8 BrCCCOCc1cccnc1 34a_100011217188_100000733263 [0,1,1,0,0,0|1,0,0]=3 2046 B12R1.8 BrCCCOCc1cccnn1 34a_100011217188_100016990269 [0,1,1,0,0,0|2,0,0]=4 2047 B12R1.8 BrCCCOCc1cnccn1 34a_100011217188_100016995436 [0,1,1,0,0,0|2,0,0]=4 2048 B12R1.8 BrCCCOCc1cncnc1 34a_100011217188_100015196519 [0,1,1,0,0,0|2,0,0]=4 2049 B12R1.8 BrCCOCCc1ccccc1 34a_100000211926_100000765856 [0,1,1,0,0,0|2,0,0]=4 2050 B12R1.8 C#CCCCOc1cccnc1 34a_100000210849_100000695029 [0,1,1,0,0,0|1,0,1]=4 2051 B12R1.8 C#CCCCOc1cccnc1 7a_100000210849_100011215417 [0,1,1,0,0,0|1,0,1]=4 2052 B12R1.8 C#CCCCSc1cccnc1 62a_100000210063_100011215417 [0,1,1,0,0,0|1,0,1]=4 2053 B12R1.8 C#CCCCSc1cccnc1 62a_100011215417_100000210063 [0,1,1,0,0,0|1,0,1]=4 2054 B12R1.8 C#CCCNCc1ccccc1 2230a_100015324214_100000688953 [0,1,1,0,0,0|1,0,1]=4 2055 B12R1.8 C#CCCNCc1ccccc1 34a_100000755551_100015291786 [0,1,1,0,0,0|1,0,1]=4 2056 B12R1.8 C#CCCNCc1ccccc1 34a_100015324214_100000688953 [0,1,1,0,0,0|1,0,1]=4 2057 B12R1.8 C#CCCNCc1cccnc1 34a_100000755551_100000733263 [0,1,1,0,0,0|0,0,1]=3 2058 B12R1.8 C#CCCNCc1cccnn1 2230a_100159270163_100000688953 [0,1,1,0,0,0|1,0,1]=4 2059 B12R1.8 C#CCCNCc1cccnn1 34a_100000755551_100016990269 [0,1,1,0,0,0|1,0,1]=4 2060 B12R1.8 C#CCCNCc1cnccn1 34a_100000755551_100016995436 [0,1,1,0,0,0|1,0,1]=4 2061 B12R1.8 C#CCCNCc1cncnc1 2230a_100011243677_100000688953 [0,1,1,0,0,0|1,0,1]=4 2062 B12R1.8 C#CCCNCc1cncnc1 34a_100000755551_100015196519 [0,1,1,0,0,0|1,0,1]=4 2063 B12R1.8 C#CCCOCc1cccnc1 34a_100011215631_100000733263 [0,1,1,0,0,0|1,0,1]=4 2064 B12R1.8 C#CCCSCc1cccnc1 62a_100000688953_100000741622 [0,1,1,0,0,0|1,0,1]=4 2065 B12R1.8 C#CCCSCc1cccnc1 62a_100000741622_100000688953 [0,1,1,0,0,0|1,0,1]=4 2066 B12R1.8 C#CCNCCc1cccnc1 2230a_100000736294_100000038162 [0,1,1,0,0,0|0,0,2]=4 2067 B12R1.8 C#CCOCCc1cccnc1 34a_100011217484_100000184674 [0,1,1,0,0,0|1,0,1]=4 2068 B12R1.8 C#CCSCCc1cccnc1 62a_100000038162_200011713674 [0,1,1,0,0,0|1,0,1]=4 2069 B12R1.8 C/C=C/CNCc1ccccc1 34a_100015324214_100102629194 [0,1,1,0,0,0|1,0,1]=4 2070 B12R1.8 C/C=C/COCc1cccnc1 34a_100016270725_100000733263 [0,1,1,0,0,0|1,0,1]=4 2071 B12R1.8 C/C=C/CSCc1cccnc1 62a_100000741622_100102629194 [0,1,1,0,0,0|1,0,1]=4 2072 B12R1.8 C/C=C/CSCc1cccnc1 62a_100102629194_100000741622 [0,1,1,0,0,0|1,0,1]=4 2073 B12R1.8 C=CCCCOc1cccnc1 34a_100000210849_100000757094 [0,1,1,0,0,0|1,0,1]=4 2074 B12R1.8 C=CCCCOc1cccnc1 7a_100000210849_100000757094 [0,1,1,0,0,0|1,0,1]=4 2075 B12R1.8 C=CCCCSc1cccnc1 62a_100000210063_100000757094 [0,1,1,0,0,0|1,0,1]=4 2076 B12R1.8 C=CCCCSc1cccnc1 62a_100011713584_100000210063 [0,1,1,0,0,0|1,0,1]=4 2077 B12R1.8 C=CCCNCc1ccccc1 207a_100015191253_100015611070 [0,1,1,0,0,0|1,0,1]=4 2078 B12R1.8 C=CCCNCc1ccccc1 2230a_100015191253_100015291786 [0,1,1,0,0,0|1,0,1]=4 2079 B12R1.8 C=CCCNCc1ccccc1 2230a_100015324214_100000754431 [0,1,1,0,0,0|1,0,1]=4 2080 B12R1.8 C=CCCNCc1ccccc1 270004a_100015191253_100015611070 [0,1,1,0,0,0|1,0,1]=4 2081 B12R1.8 C=CCCNCc1ccccc1 34a_100015324214_100000754431 [0,1,1,0,0,0|1,0,1]=4 2082 B12R1.8 C=CCCNCc1cccnc1 207a_100015191253_100000209961 [0,1,1,0,0,0|0,0,1]=3 2083 B12R1.8 C=CCCNCc1cccnc1 2230a_100015191253_100000741622 [0,1,1,0,0,0|0,0,1]=3 2084 B12R1.8 C=CCCNCc1cccnc1 270004a_100015191253_100000209961 [0,1,1,0,0,0|0,0,1]=3 2085 B12R1.8 C=CCCNCc1cccnn1 2230a_100015191253_100016990269 [0,1,1,0,0,0|1,0,1]=4 2086 B12R1.8 C=CCCNCc1cccnn1 2230a_100159270163_100000754431 [0,1,1,0,0,0|1,0,1]=4 2087 B12R1.8 C=CCCNCc1ccnnc1 270004a_100015191253_100011934578 [0,1,1,0,0,0|1,0,1]=4 2088 B12R1.8 C=CCCNCc1cnccn1 2230a_100015191253_100016995436 [0,1,1,0,0,0|1,0,1]=4 2089 B12R1.8 C=CCCNCc1cnccn1 270004a_100015191253_100000749867 [0,1,1,0,0,0|1,0,1]=4 2090 B12R1.8 C=CCCNCc1cncnc1 2230a_100011243677_100000754431 [0,1,1,0,0,0|1,0,1]=4 2091 B12R1.8 C=CCCNCc1cncnc1 2230a_100015191253_100015196519 [0,1,1,0,0,0|1,0,1]=4 2092 B12R1.8 C=CCCNCc1cncnc1 270004a_100015191253_100000749868 [0,1,1,0,0,0|1,0,1]=4 2093 B12R1.8 C=CCCOCc1cccnc1 34a_100011205117_100000733263 [0,1,1,0,0,0|1,0,1]=4 2094 B12R1.8 C=CCCSCc1cccnc1 62a_100000741622_100000754431 [0,1,1,0,0,0|1,0,1]=4 2095 B12R1.8 C=CCCSCc1cccnc1 62a_100000754431_100000741622 [0,1,1,0,0,0|1,0,1]=4 2096 B12R1.8 C=CCNCCc1cccnc1 2230a_100000736294_100000210623 [0,1,1,0,0,0|0,0,2]=4 2097 B12R1.8 C=CCNCCc1cccnc1 2230a_100020586998_200011713674 [0,1,1,0,0,0|0,0,2]=4 2098 B12R1.8 C=CCOCCc1cccnc1 34a_100011217484_100015514636 [0,1,1,0,0,0|1,0,1]=4 2099 B12R1.8 C=CCSCCc1cccnc1 62a_100000210623_200011713674 [0,1,1,0,0,0|1,0,1]=4 2100 B12R1.8 C=CCSCCc1cccnc1 62a_200011713674_100000210623 [0,1,1,0,0,0|1,0,1]=4 2101 B12R1.8 CC#CCNCc1ccccc1 2230a_100000685387_100015291786 [0,1,1,0,0,0|1,0,1]=4 2102 B12R1.8 CC#CCNCc1ccccc1 2230a_100015324214_100000748600 [0,1,1,0,0,0|1,0,1]=4 2103 B12R1.8 CC#CCNCc1ccccc1 34a_100000685387_100015291786 [0,1,1,0,0,0|1,0,1]=4 2104 B12R1.8 CC#CCNCc1ccccc1 34a_100015324214_100000748600 [0,1,1,0,0,0|1,0,1]=4 2105 B12R1.8 CC#CCNCc1cccnc1 2230a_100000685387_100000741622 [0,1,1,0,0,0|0,0,1]=3 2106 B12R1.8 CC#CCNCc1cccnc1 34a_100000685387_100000733263 [0,1,1,0,0,0|0,0,1]=3 2107 B12R1.8 CC#CCNCc1cccnn1 2230a_100000685387_100016990269 [0,1,1,0,0,0|1,0,1]=4 2108 B12R1.8 CC#CCNCc1cccnn1 2230a_100159270163_100000748600 [0,1,1,0,0,0|1,0,1]=4 2109 B12R1.8 CC#CCNCc1cccnn1 34a_100000685387_100016990269 [0,1,1,0,0,0|1,0,1]=4 2110 B12R1.8 CC#CCNCc1cnccn1 2230a_100000685387_100016995436 [0,1,1,0,0,0|1,0,1]=4 2111 B12R1.8 CC#CCNCc1cnccn1 34a_100000685387_100016995436 [0,1,1,0,0,0|1,0,1]=4 2112 B12R1.8 CC#CCNCc1cncnc1 2230a_100000685387_100015196519 [0,1,1,0,0,0|1,0,1]=4 2113 B12R1.8 CC#CCNCc1cncnc1 2230a_100011243677_100000748600 [0,1,1,0,0,0|1,0,1]=4 2114 B12R1.8 CC#CCNCc1cncnc1 34a_100000685387_100015196519 [0,1,1,0,0,0|1,0,1]=4 2115 B12R1.8 CC#CCOCc1cccnc1 34a_100000761923_100000733263 [0,1,1,0,0,0|1,0,1]=4 2116 B12R1.8 CC#CCSCc1cccnc1 62a_100000741622_100000748600 [0,1,1,0,0,0|1,0,1]=4 2117 B12R1.8 CC#CCSCc1cccnc1 62a_100000748600_100000741622 [0,1,1,0,0,0|1,0,1]=4 2118 B12R1.8 CC/C=C\COc1cccnc1 34a_100000210849_100103147603 [0,1,1,0,0,0|1,0,1]=4 2119 B12R1.8 CC/C=C\COc1cccnc1 7a_100000210849_100103147603 [0,1,1,0,0,0|1,0,1]=4 2120 B12R1.8 CC/C=C\CSc1cccnc1 62a_100000210063_100103147603 [0,1,1,0,0,0|1,0,1]=4 2121 B12R1.8 CC/C=C\CSc1cccnc1 62a_100103147603_100000210063 [0,1,1,0,0,0|1,0,1]=4 2122 B12R1.8 CC=CCNCc1ccccc1 2230a_100015324214_100000070051 [0,1,1,0,0,0|1,0,1]=4 2123 B12R1.8 CC=CCNCc1ccccc1 34a_100015324214_100000070051 [0,1,1,0,0,0|1,0,1]=4 2124 B12R1.8 CC=CCNCc1cccnn1 2230a_100159270163_100000070051 [0,1,1,0,0,0|1,0,1]=4 2125 B12R1.8 CC=CCNCc1cncnc1 2230a_100011243677_100000070051 [0,1,1,0,0,0|1,0,1]=4 2126 B12R1.8 CC=CCSCc1cccnc1 62a_100000070051_100000741622 [0,1,1,0,0,0|1,0,1]=4 2127 B12R1.8 CC=CCSCc1cccnc1 62a_100000741622_100000070051 [0,1,1,0,0,0|1,0,1]=4 2128 B12R1.8 CCC#CCOc1cccnc1 34a_100000210849_100009813939 [0,1,1,0,0,0|1,0,1]=4 2129 B12R1.8 CCC#CCOc1cccnc1 7a_100000210849_100009813939 [0,1,1,0,0,0|1,0,1]=4 2130 B12R1.8 CCC#CCSc1cccnc1 62a_100000210063_100009813939 [0,1,1,0,0,0|1,0,1]=4 2131 B12R1.8 CCC#CCSc1cccnc1 62a_100009813939_100000210063 [0,1,1,0,0,0|1,0,1]=4 2132 B12R1.8 CCC=NNCc1ccccc1 4a_100000007032_100000210100 [0,1,1,0,0,0|1,0,1]=4 2133 B12R1.8 CCC=NNCc1cccnc1 4a_100000738295_100000210100 [0,1,1,0,0,0|0,0,1]=3 2134 B12R1.8 CCCC=NNc1cccnc1 4a_100000728903_100000185831 [0,1,1,0,0,0|1,0,1]=4 2135 B12R1.8 CCCCC=Cc1cccnc1 271570a_100016275911_100000752921 [0,1,1,0,0,0|1,0,1]=4 2136 B12R1.8 CCCCCNc1ccccc1 34a_100000106764_100000718602 [0,1,1,0,0,0|2,0,0]=4 2137 B12R1.8 CCCCCNc1cccnn1 27a_100000209983_100016991348 [0,1,1,0,0,0|2,0,0]=4 2138 B12R1.8 CCCCCNc1cnccn1 27a_100000209983_100000211759 [0,1,1,0,0,0|2,0,0]=4 2139 B12R1.8 CCCCCOc1ccccc1 34a_100000210340_100000718602 [0,1,1,0,0,0|2,0,0]=4 2140 B12R1.8 CCCCCOc1ccccc1 7a_100000210340_100000210326 [0,1,1,0,0,0|2,0,0]=4 2141 B12R1.8 CCCCCOc1cccnc1 34a_100000210849_100000718602 [0,1,1,0,0,0|1,0,0]=3 2142 B12R1.8 CCCCCOc1cccnc1 7a_100000210849_100000210326 [0,1,1,0,0,0|1,0,0]=3 2143 B12R1.8 CCCCCOc1ccnnc1 34a_100015204005_100000718602 [0,1,1,0,0,0|2,0,0]=4 2144 B12R1.8 CCCCCOc1cncnc1 7a_100000754086_100000210326 [0,1,1,0,0,0|2,0,0]=4 2145 B12R1.8 CCCCCSc1ccccc1 62a_100000210326_100000041952 [0,1,1,0,0,0|2,0,0]=4 2146 B12R1.8 CCCCCSc1ccccc1 62a_100000719477_100000210326 [0,1,1,0,0,0|2,0,0]=4 2147 B12R1.8 CCCCCSc1cccnc1 62a_100000210063_100000210326 [0,1,1,0,0,0|1,0,0]=3 2148 B12R1.8 CCCCCSc1cccnc1 62a_100000210326_100000210063 [0,1,1,0,0,0|1,0,0]=3 2149 B12R1.8 CCCCCSc1cccnn1 62a_100000210326_100016991348 [0,1,1,0,0,0|2,0,0]=4 2150 B12R1.8 CCCCCSc1cccnn1 62a_100016991348_100000210326 [0,1,1,0,0,0|2,0,0]=4 2151 B12R1.8 CCCCCSc1ccnnc1 62a_100000210326_100000732662 [0,1,1,0,0,0|2,0,0]=4 2152 B12R1.8 CCCCCSc1ccnnc1 62a_100000732662_100000210326 [0,1,1,0,0,0|2,0,0]=4 2153 B12R1.8 CCCCCSc1cnccn1 62a_100000210326_100000211759 [0,1,1,0,0,0|2,0,0]=4 2154 B12R1.8 CCCCCSc1cnccn1 62a_100000211759_100000210326 [0,1,1,0,0,0|2,0,0]=4 2155 B12R1.8 CCCCCSc1cncnc1 62a_100000210326_100011206942 [0,1,1,0,0,0|2,0,0]=4 2156 B12R1.8 CCCCCSc1cncnc1 62a_100011206942_100000210326 [0,1,1,0,0,0|2,0,0]=4 2157 B12R1.8 CCCCNCc1ccccc1 207a_100000102301_100015611070 [0,1,1,0,0,0|1,0,0]=3 2158 B12R1.8 CCCCNCc1ccccc1 2230a_100000102301_100015291786 [0,1,1,0,0,0|1,0,0]=3 2159 B12R1.8 CCCCNCc1ccccc1 2230a_100015324214_100000210211 [0,1,1,0,0,0|1,0,0]=3 2160 B12R1.8 CCCCNCc1ccccc1 270004a_100000102301_100015611070 [0,1,1,0,0,0|1,0,0]=3 2161 B12R1.8 CCCCNCc1ccccc1 34a_100015324214_100000210210 [0,1,1,0,0,0|1,0,0]=3 2162 B12R1.8 CCCCNCc1ccccc1 7a_106832991798_100000211182 [0,1,1,0,0,0|1,0,0]=3 2163 B12R1.8 CCCCNCc1ccccn1 207a_100000102301_100000209966 [0,1,1,0,0,0|2,0,0]=4 2164 B12R1.8 CCCCNCc1ccccn1 2230a_100000102301_100000721315 [0,1,1,0,0,0|2,0,0]=4 2165 B12R1.8 CCCCNCc1ccccn1 270004a_100000102301_100000209966 [0,1,1,0,0,0|2,0,0]=4 2166 B12R1.8 CCCCNCc1ccccn1 7a_106832991798_100000721315 [0,1,1,0,0,0|2,0,0]=4 2167 B12R1.8 CCCCNCc1cccnc1 207a_100000102301_100000209961 [0,1,1,0,0,0|0,0,0]=2 2168 B12R1.8 CCCCNCc1cccnc1 2230a_100000102301_100000741622 [0,1,1,0,0,0|0,0,0]=2 2169 B12R1.8 CCCCNCc1cccnc1 270004a_100000102301_100000209961 [0,1,1,0,0,0|0,0,0]=2 2170 B12R1.8 CCCCNCc1cccnc1 7a_106832991798_100000741622 [0,1,1,0,0,0|0,0,0]=2 2171 B12R1.8 CCCCNCc1cccnn1 2230a_100000102301_100016990269 [0,1,1,0,0,0|1,0,0]=3 2172 B12R1.8 CCCCNCc1cccnn1 2230a_100159270163_100000210211 [0,1,1,0,0,0|1,0,0]=3 2173 B12R1.8 CCCCNCc1cccnn1 7a_106832991798_100016990269 [0,1,1,0,0,0|1,0,0]=3 2174 B12R1.8 CCCCNCc1ccncc1 207a_100000102301_100000186114 [0,1,1,0,0,0|2,0,0]=4 2175 B12R1.8 CCCCNCc1ccncc1 2230a_100000102301_100015193705 [0,1,1,0,0,0|2,0,0]=4 2176 B12R1.8 CCCCNCc1ccncc1 7a_106832991798_100015193705 [0,1,1,0,0,0|2,0,0]=4 2177 B12R1.8 CCCCNCc1ccnnc1 270004a_100000102301_100011934578 [0,1,1,0,0,0|1,0,0]=3 2178 B12R1.8 CCCCNCc1cnccn1 2230a_100000102301_100016995436 [0,1,1,0,0,0|1,0,0]=3 2179 B12R1.8 CCCCNCc1cnccn1 270004a_100000102301_100000749867 [0,1,1,0,0,0|1,0,0]=3 2180 B12R1.8 CCCCNCc1cnccn1 7a_106832991798_100016995436 [0,1,1,0,0,0|1,0,0]=3 2181 B12R1.8 CCCCNCc1cncnc1 2230a_100000102301_100015196519 [0,1,1,0,0,0|1,0,0]=3 2182 B12R1.8 CCCCNCc1cncnc1 2230a_100011243677_100000210211 [0,1,1,0,0,0|1,0,0]=3 2183 B12R1.8 CCCCNCc1cncnc1 270004a_100000102301_100000749868 [0,1,1,0,0,0|1,0,0]=3 2184 B12R1.8 CCCCNCc1cncnc1 7a_106832991798_100015196519 [0,1,1,0,0,0|1,0,0]=3 2185 B12R1.8 CCCCOCc1ccccc1 34a_100000210227_100015291786 [0,1,1,0,0,0|2,0,0]=4 2186 B12R1.8 CCCCOCc1ccccc1 34a_100000210790_100000210210 [0,1,1,0,0,0|2,0,0]=4 2187 B12R1.8 CCCCOCc1ccccc1 7a_100000210227_100000211182 [0,1,1,0,0,0|2,0,0]=4 2188 B12R1.8 CCCCOCc1ccccc1 7a_100000210790_100000210211 [0,1,1,0,0,0|2,0,0]=4 2189 B12R1.8 CCCCOCc1cccnc1 34a_100000210227_100000733263 [0,1,1,0,0,0|1,0,0]=3 2190 B12R1.8 CCCCOCc1cccnc1 7a_100000210227_100000741622 [0,1,1,0,0,0|1,0,0]=3 2191 B12R1.8 CCCCOCc1cccnn1 34a_100000210227_100016990269 [0,1,1,0,0,0|2,0,0]=4 2192 B12R1.8 CCCCOCc1cccnn1 7a_100000210227_100016990269 [0,1,1,0,0,0|2,0,0]=4 2193 B12R1.8 CCCCOCc1cnccn1 34a_100000210227_100016995436 [0,1,1,0,0,0|2,0,0]=4 2194 B12R1.8 CCCCOCc1cnccn1 7a_100000210227_100016995436 [0,1,1,0,0,0|2,0,0]=4 2195 B12R1.8 CCCCOCc1cncnc1 34a_100000210227_100015196519 [0,1,1,0,0,0|2,0,0]=4 2196 B12R1.8 CCCCOCc1cncnc1 7a_100000210227_100015196519 [0,1,1,0,0,0|2,0,0]=4 2197 B12R1.8 CCCCSCc1ccccc1 62a_100000210211_100015291786 [0,1,1,0,0,0|2,0,0]=4 2198 B12R1.8 CCCCSCc1ccccc1 62a_100000211182_100000210210 [0,1,1,0,0,0|2,0,0]=4 2199 B12R1.8 CCCCSCc1cccnc1 62a_100000210211_100000741622 [0,1,1,0,0,0|1,0,0]=3 2200 B12R1.8 CCCCSCc1cccnc1 62a_100000741622_100000210210 [0,1,1,0,0,0|1,0,0]=3 2201 B12R1.8 CCCCSCc1cccnn1 62a_100000210211_100016990269 [0,1,1,0,0,0|2,0,0]=4 2202 B12R1.8 CCCCSCc1cccnn1 62a_100016990269_100000210210 [0,1,1,0,0,0|2,0,0]=4 2203 B12R1.8 CCCCSCc1cnccn1 62a_100000210211_100016995436 [0,1,1,0,0,0|2,0,0]=4 2204 B12R1.8 CCCCSCc1cnccn1 62a_100016995436_100000210210 [0,1,1,0,0,0|2,0,0]=4 2205 B12R1.8 CCCCSCc1cncnc1 62a_100000210211_100015196519 [0,1,1,0,0,0|2,0,0]=4 2206 B12R1.8 CCCCSCc1cncnc1 62a_100015196519_100000210210 [0,1,1,0,0,0|2,0,0]=4 2207 B12R1.8 CCCNCCc1ccccc1 2230a_100000106460_100000210303 [0,1,1,0,0,0|1,0,0]=3 2208 B12R1.8 CCCNCCc1ccccc1 34a_100000106460_100000210303 [0,1,1,0,0,0|1,0,0]=3 2209 B12R1.8 CCCNCCc1cccnc1 2230a_100000736294_100000210303 [0,1,1,0,0,0|0,0,0]=2 2210 B12R1.8 CCCNN=Cc1ccccc1 4a_100000740057_100015611070 [0,1,1,0,0,0|1,0,1]=4 2211 B12R1.8 CCCNN=Cc1cccnc1 4a_100000740057_100000209961 [0,1,1,0,0,0|0,0,1]=3 2212 B12R1.8 CCCNN=Cc1ccnnc1 4a_100000740057_100011934578 [0,1,1,0,0,0|1,0,1]=4 2213 B12R1.8 CCCNN=Cc1cnccn1 4a_100000740057_100000749867 [0,1,1,0,0,0|1,0,1]=4 2214 B12R1.8 CCCNN=Cc1cncnc1 4a_100000740057_100000749868 [0,1,1,0,0,0|1,0,1]=4 2215 B12R1.8 CCCOCCc1ccccc1 34a_100000210258_100000765856 [0,1,1,0,0,0|2,0,0]=4 2216 B12R1.8 CCCOCCc1ccccc1 34a_100000210268_100000210303 [0,1,1,0,0,0|2,0,0]=4 2217 B12R1.8 CCCOCCc1ccccc1 7a_100000210268_100000210303 [0,1,1,0,0,0|2,0,0]=4 2218 B12R1.8 CCCOCCc1cccnc1 34a_100011217484_100000210303 [0,1,1,0,0,0|1,0,0]=3 2219 B12R1.8 CCCOCCc1cnccn1 34a_100011349526_100000210303 [0,1,1,0,0,0|2,0,0]=4 2220 B12R1.8 CCCOCCc1cncnc1 34a_100011709255_100000210303 [0,1,1,0,0,0|2,0,0]=4 2221 B12R1.8 CCCSCCc1ccccc1 62a_100000210303_100011218657 [0,1,1,0,0,0|2,0,0]=4 2222 B12R1.8 CCCSCCc1ccccc1 62a_100000765856_100000210303 [0,1,1,0,0,0|2,0,0]=4 2223 B12R1.8 CCCSCCc1cccnc1 62a_100000210303_200011713674 [0,1,1,0,0,0|1,0,0]=3 2224 B12R1.8 CCCSCCc1cccnc1 62a_200011713674_100000210303 [0,1,1,0,0,0|1,0,0]=3 2225 B12R1.8 CCCSCSc1ccccc1 62a_100000210303_100011218342 [0,1,1,0,0,0|2,0,0]=4 2226 B12R1.8 CCCSCSc1ccccc1 62a_100011218342_100000210303 [0,1,1,0,0,0|2,0,0]=4 2227 B12R1.8 CCNCCCc1ccccc1 2230a_100000211184_100000210202 [0,1,1,0,0,0|2,0,0]=4 2228 B12R1.8 CCNCCCc1ccccc1 2230a_100015525214_100000211621 [0,1,1,0,0,0|2,0,0]=4 2229 B12R1.8 CCNCCCc1ccccc1 34a_100000211184_100000210202 [0,1,1,0,0,0|2,0,0]=4 2230 B12R1.8 CCNCCCc1cccnc1 2230a_100011532358_100000210202 [0,1,1,0,0,0|1,0,0]=3 2231 B12R1.8 CCNCCCc1cccnc1 34a_100011532358_100000210202 [0,1,1,0,0,0|1,0,0]=3 2232 B12R1.8 CCNCCOc1cccnc1 2230a_100000754688_100000210202 [0,1,1,0,0,0|2,0,0]=4 2233 B12R1.8 CCNCOCc1ccccc1 2230a_100015525214_100000763385 [0,1,1,0,0,0|2,0,0]=4 2234 B12R1.8 CCNCSCc1ccccc1 2230a_100015525214_200011217039 [0,1,1,0,0,0|2,0,0]=4 2235 B12R1.8 CCOC/C=C/c1cccnc1 34a_200102594124_100000210202 [0,1,1,0,0,0|1,0,1]=4 2236 B12R1.8 CCOCC#Cc1cccnc1 34a_100011376247_100000210202 [0,1,1,0,0,0|1,0,1]=4 2237 B12R1.8 CCOCCCc1ccccc1 34a_100000210828_100000210202 [0,1,1,0,0,0|2,0,0]=4 2238 B12R1.8 CCOCCCc1ccccc1 34a_100121572206_100000211621 [0,1,1,0,0,0|2,0,0]=4 2239 B12R1.8 CCOCCCc1ccccc1 7a_100000210828_100000210202 [0,1,1,0,0,0|2,0,0]=4 2240 B12R1.8 CCOCCCc1cccnc1 34a_100000211284_100000210202 [0,1,1,0,0,0|1,0,0]=3 2241 B12R1.8 CCOCCOc1cccnc1 34a_100000210849_100000210147 [0,1,1,0,0,0|2,0,0]=4 2242 B12R1.8 CCOCCOc1cccnc1 7a_100000210849_100011215890 [0,1,1,0,0,0|2,0,0]=4 2243 B12R1.8 CCOCCSc1cccnc1 62a_100000210063_100011215890 [0,1,1,0,0,0|2,0,0]=4 2244 B12R1.8 CCOCCSc1cccnc1 62a_100000210147_100000210063 [0,1,1,0,0,0|2,0,0]=4 2245 B12R1.8 CCOCOCc1ccccc1 34a_100121572206_100000763385 [0,1,1,0,0,0|2,0,0]=4 2246 B12R1.8 CCOCSCc1ccccc1 34a_100121572206_200011217039 [0,1,1,0,0,0|2,0,0]=4 2247 B12R1.8 CCOCSCc1ccccc1 62a_100000211182_100000739092 [0,1,1,0,0,0|2,0,0]=4 2248 B12R1.8 CCOCSCc1ccccc1 62a_100000739092_100015291786 [0,1,1,0,0,0|2,0,0]=4 2249 B12R1.8 CCOCSCc1cccnc1 62a_100000739092_100000741622 [0,1,1,0,0,0|1,0,0]=3 2250 B12R1.8 CCOCSCc1cccnc1 62a_100000741622_100000739092 [0,1,1,0,0,0|1,0,0]=3 2251 B12R1.8 CCOCSCc1cccnn1 62a_100000739092_100016990269 [0,1,1,0,0,0|2,0,0]=4 2252 B12R1.8 CCOCSCc1cccnn1 62a_100016990269_100000739092 [0,1,1,0,0,0|2,0,0]=4 2253 B12R1.8 CCOCSCc1cnccn1 62a_100000739092_100016995436 [0,1,1,0,0,0|2,0,0]=4 2254 B12R1.8 CCOCSCc1cnccn1 62a_100016995436_100000739092 [0,1,1,0,0,0|2,0,0]=4 2255 B12R1.8 CCOCSCc1cncnc1 62a_100000739092_100015196519 [0,1,1,0,0,0|2,0,0]=4 2256 B12R1.8 CCOCSCc1cncnc1 62a_100015196519_100000739092 [0,1,1,0,0,0|2,0,0]=4 2257 B12R1.8 CCSCCCc1ccccc1 62a_100000210202_100000211621 [0,1,1,0,0,0|2,0,0]=4 2258 B12R1.8 CCSCCCc1ccccc1 62a_100000211621_100000210202 [0,1,1,0,0,0|2,0,0]=4 2259 B12R1.8 CCSCCOc1cccnc1 34a_100000210849_100000757381 [0,1,1,0,0,0|2,0,0]=4 2260 B12R1.8 CCSCCOc1cccnc1 7a_100000210849_100000757381 [0,1,1,0,0,0|2,0,0]=4 2261 B12R1.8 CCSCCSc1cccnc1 62a_100000210063_100000757381 [0,1,1,0,0,0|2,0,0]=4 2262 B12R1.8 CCSCCSc1cccnc1 62a_100000757381_100000210063 [0,1,1,0,0,0|2,0,0]=4 2263 B12R1.8 CCSCOCc1ccccc1 62a_100000210202_100000763385 [0,1,1,0,0,0|2,0,0]=4 2264 B12R1.8 CCSCOCc1ccccc1 62a_100000763385_100000210202 [0,1,1,0,0,0|2,0,0]=4 2265 B12R1.8 CCSCSCc1ccccc1 62a_100000210202_200011217039 [0,1,1,0,0,0|2,0,0]=4 2266 B12R1.8 CCSCSCc1ccccc1 62a_200011217039_100000210202 [0,1,1,0,0,0|2,0,0]=4 2267 B12R1.8 CNCCCCc1ccccc1 2230a_100015280158_200000210301 [0,1,1,0,0,0|1,0,0]=3 2268 B12R1.8 CNCCCCc1ccccc1 2230a_106832991635_100000701786 [0,1,1,0,0,0|1,0,0]=3 2269 B12R1.8 CNCCCCc1ccccc1 34a_100015280158_200000210301 [0,1,1,0,0,0|1,0,0]=3 2270 B12R1.8 CNCCCCc1ccccc1 34a_100102657272_100000701786 [0,1,1,0,0,0|1,0,0]=3 2271 B12R1.8 CNCCCCc1ccccc1 7a_106832991635_100000701786 [0,1,1,0,0,0|1,0,0]=3 2272 B12R1.8 CNCCCCc1ccncc1 2230a_106832991635_100020630000 [0,1,1,0,0,0|2,0,0]=4 2273 B12R1.8 CNCCCCc1ccncc1 7a_106832991635_100020630000 [0,1,1,0,0,0|2,0,0]=4 2274 B12R1.8 CNCCCOc1ccccc1 2230a_100000216521_200000210301 [0,1,1,0,0,0|2,0,0]=4 2275 B12R1.8 CNCCCOc1ccccc1 2230a_106832991635_100000199009 [0,1,1,0,0,0|2,0,0]=4 2276 B12R1.8 CNCCCOc1ccccc1 34a_100000216521_200000210301 [0,1,1,0,0,0|2,0,0]=4 2277 B12R1.8 CNCCCOc1ccccc1 34a_100102657272_100000199009 [0,1,1,0,0,0|2,0,0]=4 2278 B12R1.8 CNCCCOc1ccccc1 7a_106832991635_100000199009 [0,1,1,0,0,0|2,0,0]=4 2279 B12R1.8 CNCCCSc1ccccc1 2230a_100000184639_200000210301 [0,1,1,0,0,0|2,0,0]=4 2280 B12R1.8 CNCCCSc1ccccc1 2230a_106832991635_200011203293 [0,1,1,0,0,0|2,0,0]=4 2281 B12R1.8 CNCCCSc1ccccc1 34a_100102657272_200011203293 [0,1,1,0,0,0|2,0,0]=4 2282 B12R1.8 CNCCCSc1ccccc1 7a_106832991635_200011203293 [0,1,1,0,0,0|2,0,0]=4 2283 B12R1.8 CNCCOCc1ccccc1 2230a_100000753106_200000210301 [0,1,1,0,0,0|2,0,0]=4 2284 B12R1.8 CNCCOCc1ccccc1 2230a_106832991635_100000234347 [0,1,1,0,0,0|2,0,0]=4 2285 B12R1.8 CNCCOCc1ccccc1 34a_100000753106_200000210301 [0,1,1,0,0,0|2,0,0]=4 2286 B12R1.8 CNCCOCc1ccccc1 34a_100102657272_100000234347 [0,1,1,0,0,0|2,0,0]=4 2287 B12R1.8 CNCCOCc1ccccc1 7a_106832991635_100000234347 [0,1,1,0,0,0|2,0,0]=4 2288 B12R1.8 CNCCSCc1ccccc1 2230a_100000189534_200000210301 [0,1,1,0,0,0|2,0,0]=4 2289 B12R1.8 CNCCSCc1ccccc1 2230a_106832991635_200011297719 [0,1,1,0,0,0|2,0,0]=4 2290 B12R1.8 CNCCSCc1ccccc1 34a_100000189534_200000210301 [0,1,1,0,0,0|2,0,0]=4 2291 B12R1.8 CNCCSCc1ccccc1 34a_100102657272_200011297719 [0,1,1,0,0,0|2,0,0]=4 2292 B12R1.8 CNCCSCc1ccccc1 7a_100000189534_200000210301 [0,1,1,0,0,0|2,0,0]=4 2293 B12R1.8 COCCC#Cc1cccnc1 34a_200011376248_200000210301 [0,1,1,0,0,0|1,0,1]=4 2294 B12R1.8 COCCCCc1ccccc1 34a_100000703073_200000210301 [0,1,1,0,0,0|2,0,0]=4 2295 B12R1.8 COCCCCc1ccccc1 34a_100138415774_100000701786 [0,1,1,0,0,0|2,0,0]=4 2296 B12R1.8 COCCCCc1ccccc1 7a_100000703073_200000210301 [0,1,1,0,0,0|2,0,0]=4 2297 B12R1.8 COCCCCc1cccnc1 34a_100012039607_200000210301 [0,1,1,0,0,0|1,0,0]=3 2298 B12R1.8 COCCCCc1cccnc1 7a_100012039607_200000210301 [0,1,1,0,0,0|1,0,0]=3 2299 B12R1.8 COCCCOc1cccnc1 34a_100000210849_100000740836 [0,1,1,0,0,0|2,0,0]=4 2300 B12R1.8 COCCCOc1cccnc1 7a_100000210849_100000740836 [0,1,1,0,0,0|2,0,0]=4 2301 B12R1.8 COCCCSc1cccnc1 62a_100000210063_100000709357 [0,1,1,0,0,0|2,0,0]=4 2302 B12R1.8 COCCCSc1cccnc1 62a_100000709357_100000210063 [0,1,1,0,0,0|2,0,0]=4 2303 B12R1.8 COCCNCc1ccccc1 207a_100000209980_100015611070 [0,1,1,0,0,0|1,0,0]=3 2304 B12R1.8 COCCNCc1ccccc1 2230a_100000209980_100015291786 [0,1,1,0,0,0|1,0,0]=3 2305 B12R1.8 COCCNCc1ccccc1 2230a_100015324214_100011201679 [0,1,1,0,0,0|1,0,0]=3 2306 B12R1.8 COCCNCc1ccccc1 270004a_100000209980_100015611070 [0,1,1,0,0,0|1,0,0]=3 2307 B12R1.8 COCCNCc1ccccc1 34a_100000180844_200000210301 [0,1,1,0,0,0|1,0,0]=3 2308 B12R1.8 COCCNCc1ccccc1 34a_100015324214_100011201679 [0,1,1,0,0,0|1,0,0]=3 2309 B12R1.8 COCCNCc1ccccn1 207a_100000209980_100000209966 [0,1,1,0,0,0|2,0,0]=4 2310 B12R1.8 COCCNCc1ccccn1 2230a_100000209980_100000721315 [0,1,1,0,0,0|2,0,0]=4 2311 B12R1.8 COCCNCc1ccccn1 270004a_100000209980_100000209966 [0,1,1,0,0,0|2,0,0]=4 2312 B12R1.8 COCCNCc1cccnc1 207a_100000209980_100000209961 [0,1,1,0,0,0|0,0,0]=2 2313 B12R1.8 COCCNCc1cccnc1 2230a_100000209980_100000741622 [0,1,1,0,0,0|0,0,0]=2 2314 B12R1.8 COCCNCc1cccnc1 270004a_100000209980_100000209961 [0,1,1,0,0,0|0,0,0]=2 2315 B12R1.8 COCCNCc1cccnn1 2230a_100000209980_100016990269 [0,1,1,0,0,0|1,0,0]=3 2316 B12R1.8 COCCNCc1cccnn1 2230a_100159270163_100011201679 [0,1,1,0,0,0|1,0,0]=3 2317 B12R1.8 COCCNCc1ccncc1 207a_100000209980_100000186114 [0,1,1,0,0,0|2,0,0]=4 2318 B12R1.8 COCCNCc1ccncc1 2230a_100000209980_100015193705 [0,1,1,0,0,0|2,0,0]=4 2319 B12R1.8 COCCNCc1ccnnc1 270004a_100000209980_100011934578 [0,1,1,0,0,0|1,0,0]=3 2320 B12R1.8 COCCNCc1cnccn1 2230a_100000209980_100016995436 [0,1,1,0,0,0|1,0,0]=3 2321 B12R1.8 COCCNCc1cnccn1 270004a_100000209980_100000749867 [0,1,1,0,0,0|1,0,0]=3 2322 B12R1.8 COCCNCc1cncnc1 2230a_100000209980_100015196519 [0,1,1,0,0,0|1,0,0]=3 2323 B12R1.8 COCCNCc1cncnc1 2230a_100011243677_100011201679 [0,1,1,0,0,0|1,0,0]=3 2324 B12R1.8 COCCNCc1cncnc1 270004a_100000209980_100000749868 [0,1,1,0,0,0|1,0,0]=3 2325 B12R1.8 COCCOCc1ccccc1 34a_100000210237_100015291786 [0,1,1,0,0,0|2,0,0]=4 2326 B12R1.8 COCCOCc1ccccc1 34a_100000210790_100011201679 [0,1,1,0,0,0|2,0,0]=4 2327 B12R1.8 COCCOCc1ccccc1 34a_100000759325_200000210301 [0,1,1,0,0,0|2,0,0]=4 2328 B12R1.8 COCCOCc1ccccc1 34a_100138415774_100000234347 [0,1,1,0,0,0|2,0,0]=4 2329 B12R1.8 COCCOCc1ccccc1 7a_100000210790_100000233755 [0,1,1,0,0,0|2,0,0]=4 2330 B12R1.8 COCCOCc1ccccc1 7a_100000759325_200000210301 [0,1,1,0,0,0|2,0,0]=4 2331 B12R1.8 COCCOCc1cccnc1 34a_100000210237_100000733263 [0,1,1,0,0,0|1,0,0]=3 2332 B12R1.8 COCCOCc1cccnn1 34a_100000210237_100016990269 [0,1,1,0,0,0|2,0,0]=4 2333 B12R1.8 COCCOCc1cnccn1 34a_100000210237_100016995436 [0,1,1,0,0,0|2,0,0]=4 2334 B12R1.8 COCCOCc1cncnc1 34a_100000210237_100015196519 [0,1,1,0,0,0|2,0,0]=4 2335 B12R1.8 COCCSCc1ccccc1 34a_100011205989_200000210301 [0,1,1,0,0,0|2,0,0]=4 2336 B12R1.8 COCCSCc1ccccc1 34a_100138415774_200011297719 [0,1,1,0,0,0|2,0,0]=4 2337 B12R1.8 COCCSCc1ccccc1 62a_100000211182_100000233755 [0,1,1,0,0,0|2,0,0]=4 2338 B12R1.8 COCCSCc1ccccc1 62a_100000233755_100015291786 [0,1,1,0,0,0|2,0,0]=4 2339 B12R1.8 COCCSCc1ccccc1 7a_100011205989_200000210301 [0,1,1,0,0,0|2,0,0]=4 2340 B12R1.8 COCCSCc1cccnc1 62a_100000233755_100000741622 [0,1,1,0,0,0|1,0,0]=3 2341 B12R1.8 COCCSCc1cccnc1 62a_100000741622_100000233755 [0,1,1,0,0,0|1,0,0]=3 2342 B12R1.8 COCCSCc1cccnn1 62a_100000233755_100016990269 [0,1,1,0,0,0|2,0,0]=4 2343 B12R1.8 COCCSCc1cccnn1 62a_100016990269_100000233755 [0,1,1,0,0,0|2,0,0]=4 2344 B12R1.8 COCCSCc1cnccn1 62a_100000233755_100016995436 [0,1,1,0,0,0|2,0,0]=4 2345 B12R1.8 COCCSCc1cnccn1 62a_100016995436_100000233755 [0,1,1,0,0,0|2,0,0]=4 2346 B12R1.8 COCCSCc1cncnc1 62a_100000233755_100015196519 [0,1,1,0,0,0|2,0,0]=4 2347 B12R1.8 COCCSCc1cncnc1 62a_100015196519_100000233755 [0,1,1,0,0,0|2,0,0]=4 2348 B12R1.8 COCNCCc1ccccc1 2230a_100000106460_100000766300 [0,1,1,0,0,0|2,0,0]=4 2349 B12R1.8 COCNCCc1cccnc1 2230a_100000736294_100000766300 [0,1,1,0,0,0|1,0,0]=3 2350 B12R1.8 COCSCCc1cccnc1 62a_100000766300_200011713674 [0,1,1,0,0,0|2,0,0]=4 2351 B12R1.8 COCSCCc1cccnc1 62a_200011713674_100000766300 [0,1,1,0,0,0|2,0,0]=4 2352 B12R1.8 CSCCCCc1ccccc1 62a_100000701786_200000210301 [0,1,1,0,0,0|2,0,0]=4 2353 B12R1.8 CSCCCCc1ccccc1 62a_200000210301_100000701786 [0,1,1,0,0,0|2,0,0]=4 2354 B12R1.8 CSCCNCc1ccccc1 207a_100020590264_100015611070 [0,1,1,0,0,0|1,0,0]=3 2355 B12R1.8 CSCCNCc1ccccc1 2230a_100015324214_100000751147 [0,1,1,0,0,0|1,0,0]=3 2356 B12R1.8 CSCCNCc1ccccc1 2230a_100020590264_100015291786 [0,1,1,0,0,0|1,0,0]=3 2357 B12R1.8 CSCCNCc1ccccc1 270004a_100020590264_100015611070 [0,1,1,0,0,0|1,0,0]=3 2358 B12R1.8 CSCCNCc1ccccc1 34a_100015324214_100000212216 [0,1,1,0,0,0|1,0,0]=3 2359 B12R1.8 CSCCNCc1ccccn1 207a_100020590264_100000209966 [0,1,1,0,0,0|2,0,0]=4 2360 B12R1.8 CSCCNCc1ccccn1 2230a_100020590264_100000721315 [0,1,1,0,0,0|2,0,0]=4 2361 B12R1.8 CSCCNCc1ccccn1 270004a_100020590264_100000209966 [0,1,1,0,0,0|2,0,0]=4 2362 B12R1.8 CSCCNCc1cccnc1 207a_100020590264_100000209961 [0,1,1,0,0,0|0,0,0]=2 2363 B12R1.8 CSCCNCc1cccnc1 2230a_100020590264_100000741622 [0,1,1,0,0,0|0,0,0]=2 2364 B12R1.8 CSCCNCc1cccnc1 270004a_100020590264_100000209961 [0,1,1,0,0,0|0,0,0]=2 2365 B12R1.8 CSCCNCc1cccnn1 2230a_100020590264_100016990269 [0,1,1,0,0,0|1,0,0]=3 2366 B12R1.8 CSCCNCc1cccnn1 2230a_100159270163_100000751147 [0,1,1,0,0,0|1,0,0]=3 2367 B12R1.8 CSCCNCc1ccncc1 207a_100020590264_100000186114 [0,1,1,0,0,0|2,0,0]=4 2368 B12R1.8 CSCCNCc1ccncc1 2230a_100020590264_100015193705 [0,1,1,0,0,0|2,0,0]=4 2369 B12R1.8 CSCCNCc1ccnnc1 270004a_100020590264_100011934578 [0,1,1,0,0,0|1,0,0]=3 2370 B12R1.8 CSCCNCc1cnccn1 2230a_100020590264_100016995436 [0,1,1,0,0,0|1,0,0]=3 2371 B12R1.8 CSCCNCc1cnccn1 270004a_100020590264_100000749867 [0,1,1,0,0,0|1,0,0]=3 2372 B12R1.8 CSCCNCc1cncnc1 2230a_100011243677_100000751147 [0,1,1,0,0,0|1,0,0]=3 2373 B12R1.8 CSCCNCc1cncnc1 2230a_100020590264_100015196519 [0,1,1,0,0,0|1,0,0]=3 2374 B12R1.8 CSCCNCc1cncnc1 270004a_100020590264_100000749868 [0,1,1,0,0,0|1,0,0]=3 2375 B12R1.8 CSCCOCc1ccccc1 34a_100000210790_100000212216 [0,1,1,0,0,0|2,0,0]=4 2376 B12R1.8 CSCCOCc1ccccc1 34a_100000230434_100015291786 [0,1,1,0,0,0|2,0,0]=4 2377 B12R1.8 CSCCOCc1ccccc1 62a_100000234347_200000210301 [0,1,1,0,0,0|2,0,0]=4 2378 B12R1.8 CSCCOCc1ccccc1 62a_200000210301_100000234347 [0,1,1,0,0,0|2,0,0]=4 2379 B12R1.8 CSCCOCc1ccccc1 7a_100000210790_100000212216 [0,1,1,0,0,0|2,0,0]=4 2380 B12R1.8 CSCCOCc1ccccc1 7a_100000230434_100000211182 [0,1,1,0,0,0|2,0,0]=4 2381 B12R1.8 CSCCOCc1cccnc1 34a_100000230434_100000733263 [0,1,1,0,0,0|1,0,0]=3 2382 B12R1.8 CSCCOCc1cccnc1 7a_100000230434_100000741622 [0,1,1,0,0,0|1,0,0]=3 2383 B12R1.8 CSCCOCc1cccnn1 34a_100000230434_100016990269 [0,1,1,0,0,0|2,0,0]=4 2384 B12R1.8 CSCCOCc1cccnn1 7a_100000230434_100016990269 [0,1,1,0,0,0|2,0,0]=4 2385 B12R1.8 CSCCOCc1cnccn1 34a_100000230434_100016995436 [0,1,1,0,0,0|2,0,0]=4 2386 B12R1.8 CSCCOCc1cnccn1 7a_100000230434_100016995436 [0,1,1,0,0,0|2,0,0]=4 2387 B12R1.8 CSCCOCc1cncnc1 34a_100000230434_100015196519 [0,1,1,0,0,0|2,0,0]=4 2388 B12R1.8 CSCCOCc1cncnc1 7a_100000230434_100015196519 [0,1,1,0,0,0|2,0,0]=4 2389 B12R1.8 CSCCSCc1ccccc1 62a_100000211182_100000751147 [0,1,1,0,0,0|2,0,0]=4 2390 B12R1.8 CSCCSCc1ccccc1 62a_100000212216_100015291786 [0,1,1,0,0,0|2,0,0]=4 2391 B12R1.8 CSCCSCc1ccccc1 62a_200000210301_200011297719 [0,1,1,0,0,0|2,0,0]=4 2392 B12R1.8 CSCCSCc1ccccc1 62a_200011297719_200000210301 [0,1,1,0,0,0|2,0,0]=4 2393 B12R1.8 CSCCSCc1cccnc1 62a_100000212216_100000741622 [0,1,1,0,0,0|1,0,0]=3 2394 B12R1.8 CSCCSCc1cccnc1 62a_100000741622_100000751147 [0,1,1,0,0,0|1,0,0]=3 2395 B12R1.8 CSCCSCc1cccnn1 62a_100000212216_100016990269 [0,1,1,0,0,0|2,0,0]=4 2396 B12R1.8 CSCCSCc1cccnn1 62a_100016990269_100000751147 [0,1,1,0,0,0|2,0,0]=4 2397 B12R1.8 CSCCSCc1cnccn1 62a_100000212216_100016995436 [0,1,1,0,0,0|2,0,0]=4 2398 B12R1.8 CSCCSCc1cnccn1 62a_100016995436_100000751147 [0,1,1,0,0,0|2,0,0]=4 2399 B12R1.8 CSCCSCc1cncnc1 62a_100000212216_100015196519 [0,1,1,0,0,0|2,0,0]=4 2400 B12R1.8 CSCCSCc1cncnc1 62a_100015196519_100000751147 [0,1,1,0,0,0|2,0,0]=4 2401 B12R1.8 CSCNCCc1ccccc1 2230a_100000106460_100011218213 [0,1,1,0,0,0|2,0,0]=4 2402 B12R1.8 CSCNCCc1ccccc1 34a_100000106460_100011218213 [0,1,1,0,0,0|2,0,0]=4 2403 B12R1.8 CSCNCCc1cccnc1 2230a_100000736294_100011218213 [0,1,1,0,0,0|1,0,0]=3 2404 B12R1.8 CSCOCCc1cccnc1 34a_100011217484_100011218213 [0,1,1,0,0,0|2,0,0]=4 2405 B12R1.8 CSCSCCc1cccnc1 62a_100011218213_200011713674 [0,1,1,0,0,0|2,0,0]=4 2406 B12R1.8 CSCSCCc1cccnc1 62a_200011713674_100011218213 [0,1,1,0,0,0|2,0,0]=4 2407 B12R1.8 ClCCCOCc1ccccc1 34a_100000230001_100015291786 [0,1,1,0,0,0|2,0,0]=4 2408 B12R1.8 ClCCCOCc1cccnc1 34a_100000230001_100000733263 [0,1,1,0,0,0|1,0,0]=3 2409 B12R1.8 ClCCCOCc1cccnn1 34a_100000230001_100016990269 [0,1,1,0,0,0|2,0,0]=4 2410 B12R1.8 ClCCCOCc1cnccn1 34a_100000230001_100016995436 [0,1,1,0,0,0|2,0,0]=4 2411 B12R1.8 ClCCCOCc1cncnc1 34a_100000230001_100015196519 [0,1,1,0,0,0|2,0,0]=4 2412 B12R1.8 FCCCCNc1ccccc1 34a_100000106764_100000729493 [0,1,1,0,0,0|2,0,0]=4 2413 B12R1.8 FCCCCOc1ccccc1 34a_100000210340_100000729493 [0,1,1,0,0,0|2,0,0]=4 2414 B12R1.8 FCCCCOc1ccccc1 7a_100000210340_100000729493 [0,1,1,0,0,0|2,0,0]=4 2415 B12R1.8 FCCCCOc1cccnc1 34a_100000210849_100000729493 [0,1,1,0,0,0|1,0,0]=3 2416 B12R1.8 FCCCCOc1cccnc1 7a_100000210849_100000729493 [0,1,1,0,0,0|1,0,0]=3 2417 B12R1.8 FCCCCOc1ccnnc1 34a_100015204005_100000729493 [0,1,1,0,0,0|2,0,0]=4 2418 B12R1.8 FCCCCOc1cncnc1 7a_100000754086_100000729493 [0,1,1,0,0,0|2,0,0]=4 2419 B12R1.8 FCCCCSc1ccccc1 62a_100000719477_100000729493 [0,1,1,0,0,0|2,0,0]=4 2420 B12R1.8 FCCCCSc1ccccc1 62a_100000729493_100000041952 [0,1,1,0,0,0|2,0,0]=4 2421 B12R1.8 FCCCCSc1cccnc1 62a_100000210063_100000729493 [0,1,1,0,0,0|1,0,0]=3 2422 B12R1.8 FCCCCSc1cccnc1 62a_100000729493_100000210063 [0,1,1,0,0,0|1,0,0]=3 2423 B12R1.8 FCCCCSc1cccnn1 62a_100000729493_100016991348 [0,1,1,0,0,0|2,0,0]=4 2424 B12R1.8 FCCCCSc1cccnn1 62a_100016991348_100000729493 [0,1,1,0,0,0|2,0,0]=4 2425 B12R1.8 FCCCCSc1ccnnc1 62a_100000729493_100000732662 [0,1,1,0,0,0|2,0,0]=4 2426 B12R1.8 FCCCCSc1ccnnc1 62a_100000732662_100000729493 [0,1,1,0,0,0|2,0,0]=4 2427 B12R1.8 FCCCCSc1cnccn1 62a_100000211759_100000729493 [0,1,1,0,0,0|2,0,0]=4 2428 B12R1.8 FCCCCSc1cnccn1 62a_100000729493_100000211759 [0,1,1,0,0,0|2,0,0]=4 2429 B12R1.8 FCCCCSc1cncnc1 62a_100000729493_100011206942 [0,1,1,0,0,0|2,0,0]=4 2430 B12R1.8 FCCCCSc1cncnc1 62a_100011206942_100000729493 [0,1,1,0,0,0|2,0,0]=4 2431 B12R1.8 FCCCNCc1ccccc1 207a_100015189416_100015611070 [0,1,1,0,0,0|1,0,0]=3 2432 B12R1.8 FCCCNCc1ccccc1 2230a_100015189416_100015291786 [0,1,1,0,0,0|1,0,0]=3 2433 B12R1.8 FCCCNCc1ccccc1 2230a_100015324214_100011934791 [0,1,1,0,0,0|1,0,0]=3 2434 B12R1.8 FCCCNCc1ccccc1 270004a_100015189416_100015611070 [0,1,1,0,0,0|1,0,0]=3 2435 B12R1.8 FCCCNCc1ccccc1 34a_100015189416_100015291786 [0,1,1,0,0,0|1,0,0]=3 2436 B12R1.8 FCCCNCc1ccccc1 34a_100015324214_100011934791 [0,1,1,0,0,0|1,0,0]=3 2437 B12R1.8 FCCCNCc1ccccn1 207a_100015189416_100000209966 [0,1,1,0,0,0|2,0,0]=4 2438 B12R1.8 FCCCNCc1ccccn1 2230a_100015189416_100000721315 [0,1,1,0,0,0|2,0,0]=4 2439 B12R1.8 FCCCNCc1ccccn1 270004a_100015189416_100000209966 [0,1,1,0,0,0|2,0,0]=4 2440 B12R1.8 FCCCNCc1ccccn1 34a_100015189416_100000721315 [0,1,1,0,0,0|2,0,0]=4 2441 B12R1.8 FCCCNCc1cccnc1 207a_100015189416_100000209961 [0,1,1,0,0,0|0,0,0]=2 2442 B12R1.8 FCCCNCc1cccnc1 2230a_100015189416_100000741622 [0,1,1,0,0,0|0,0,0]=2 2443 B12R1.8 FCCCNCc1cccnc1 270004a_100015189416_100000209961 [0,1,1,0,0,0|0,0,0]=2 2444 B12R1.8 FCCCNCc1cccnc1 34a_100015189416_100000733263 [0,1,1,0,0,0|0,0,0]=2 2445 B12R1.8 FCCCNCc1cccnn1 2230a_100015189416_100016990269 [0,1,1,0,0,0|1,0,0]=3 2446 B12R1.8 FCCCNCc1cccnn1 2230a_100159270163_100011934791 [0,1,1,0,0,0|1,0,0]=3 2447 B12R1.8 FCCCNCc1cccnn1 34a_100015189416_100016990269 [0,1,1,0,0,0|1,0,0]=3 2448 B12R1.8 FCCCNCc1ccncc1 207a_100015189416_100000186114 [0,1,1,0,0,0|2,0,0]=4 2449 B12R1.8 FCCCNCc1ccncc1 2230a_100015189416_100015193705 [0,1,1,0,0,0|2,0,0]=4 2450 B12R1.8 FCCCNCc1ccnnc1 270004a_100015189416_100011934578 [0,1,1,0,0,0|1,0,0]=3 2451 B12R1.8 FCCCNCc1cnccn1 2230a_100015189416_100016995436 [0,1,1,0,0,0|1,0,0]=3 2452 B12R1.8 FCCCNCc1cnccn1 270004a_100015189416_100000749867 [0,1,1,0,0,0|1,0,0]=3 2453 B12R1.8 FCCCNCc1cnccn1 34a_100015189416_100016995436 [0,1,1,0,0,0|1,0,0]=3 2454 B12R1.8 FCCCNCc1cncnc1 2230a_100011243677_100011934791 [0,1,1,0,0,0|1,0,0]=3 2455 B12R1.8 FCCCNCc1cncnc1 2230a_100015189416_100015196519 [0,1,1,0,0,0|1,0,0]=3 2456 B12R1.8 FCCCNCc1cncnc1 270004a_100015189416_100000749868 [0,1,1,0,0,0|1,0,0]=3 2457 B12R1.8 FCCCNCc1cncnc1 34a_100015189416_100015196519 [0,1,1,0,0,0|1,0,0]=3 2458 B12R1.8 FCCCOCc1ccccc1 34a_100000210790_100011934791 [0,1,1,0,0,0|2,0,0]=4 2459 B12R1.8 FCCCOCc1ccccc1 34a_100000759539_100015291786 [0,1,1,0,0,0|2,0,0]=4 2460 B12R1.8 FCCCOCc1ccccc1 7a_100000210790_100011934791 [0,1,1,0,0,0|2,0,0]=4 2461 B12R1.8 FCCCOCc1cccnc1 34a_100000759539_100000733263 [0,1,1,0,0,0|1,0,0]=3 2462 B12R1.8 FCCCOCc1cccnn1 34a_100000759539_100016990269 [0,1,1,0,0,0|2,0,0]=4 2463 B12R1.8 FCCCOCc1cnccn1 34a_100000759539_100016995436 [0,1,1,0,0,0|2,0,0]=4 2464 B12R1.8 FCCCOCc1cncnc1 34a_100000759539_100015196519 [0,1,1,0,0,0|2,0,0]=4 2465 B12R1.8 FCCCSCc1ccccc1 62a_100000211182_100011934791 [0,1,1,0,0,0|2,0,0]=4 2466 B12R1.8 FCCCSCc1ccccc1 62a_100011934791_100015291786 [0,1,1,0,0,0|2,0,0]=4 2467 B12R1.8 FCCCSCc1cccnc1 62a_100000741622_100011934791 [0,1,1,0,0,0|1,0,0]=3 2468 B12R1.8 FCCCSCc1cccnc1 62a_100011934791_100000741622 [0,1,1,0,0,0|1,0,0]=3 2469 B12R1.8 FCCCSCc1cccnn1 62a_100011934791_100016990269 [0,1,1,0,0,0|2,0,0]=4 2470 B12R1.8 FCCCSCc1cccnn1 62a_100016990269_100011934791 [0,1,1,0,0,0|2,0,0]=4 2471 B12R1.8 FCCCSCc1cnccn1 62a_100011934791_100016995436 [0,1,1,0,0,0|2,0,0]=4 2472 B12R1.8 FCCCSCc1cnccn1 62a_100016995436_100011934791 [0,1,1,0,0,0|2,0,0]=4 2473 B12R1.8 FCCCSCc1cncnc1 62a_100011934791_100015196519 [0,1,1,0,0,0|2,0,0]=4 2474 B12R1.8 FCCCSCc1cncnc1 62a_100015196519_100011934791 [0,1,1,0,0,0|2,0,0]=4 2475 B12R1.8 FCCNCCc1ccccc1 2230a_100000106460_100011217306 [0,1,1,0,0,0|2,0,0]=4 2476 B12R1.8 FCCNCCc1ccccc1 34a_100000106460_100011217306 [0,1,1,0,0,0|2,0,0]=4 2477 B12R1.8 FCCNCCc1ccccc1 34a_100000724931_100000765856 [0,1,1,0,0,0|2,0,0]=4 2478 B12R1.8 FCCNCCc1cccnc1 2230a_100000736294_100011217306 [0,1,1,0,0,0|1,0,0]=3 2479 B12R1.8 FCCOCCc1ccccc1 34a_100000210268_100011217306 [0,1,1,0,0,0|2,0,0]=4 2480 B12R1.8 FCCOCCc1ccccc1 7a_100000210268_100011217306 [0,1,1,0,0,0|2,0,0]=4 2481 B12R1.8 FCCOCCc1cccnc1 34a_100011217484_100011217306 [0,1,1,0,0,0|1,0,0]=3 2482 B12R1.8 FCCOCCc1cnccn1 34a_100011349526_100011217306 [0,1,1,0,0,0|2,0,0]=4 2483 B12R1.8 FCCOCCc1cncnc1 34a_100011709255_100011217306 [0,1,1,0,0,0|2,0,0]=4 2484 B12R1.8 FCCSCCc1ccccc1 62a_100000765856_100011217306 [0,1,1,0,0,0|2,0,0]=4 2485 B12R1.8 FCCSCCc1ccccc1 62a_100011217306_100011218657 [0,1,1,0,0,0|2,0,0]=4 2486 B12R1.8 FCCSCCc1cccnc1 62a_100011217306_200011713674 [0,1,1,0,0,0|1,0,0]=3 2487 B12R1.8 FCCSCCc1cccnc1 62a_200011713674_100011217306 [0,1,1,0,0,0|1,0,0]=3 2488 B12R1.8 FCNCCCc1ccccc1 34a_100000211184_100015361967 [0,1,1,0,0,0|2,0,0]=4 2489 B12R1.8 FCNCCCc1cccnc1 34a_100011532358_100015361967 [0,1,1,0,0,0|1,0,0]=3 2490 B12R1.8 FCOCCCc1ccccc1 34a_100000210828_100015361967 [0,1,1,0,0,0|2,0,0]=4 2491 B12R1.8 FCOCCCc1ccccc1 7a_100000210828_100015361967 [0,1,1,0,0,0|2,0,0]=4 2492 B12R1.8 FCOCCCc1cccnc1 34a_100000211284_100015361967 [0,1,1,0,0,0|1,0,0]=3 2493 B12R1.8 FCSCCCc1ccccc1 62a_100000211621_100015361967 [0,1,1,0,0,0|2,0,0]=4 2494 B12R1.8 FCSCCCc1ccccc1 62a_100015361967_100000211621 [0,1,1,0,0,0|2,0,0]=4 2495 B12R1.8 N#CCCCOc1cccnc1 7a_100000210849_100000687738 [0,1,1,0,0,0|0,0,2]=4 2496 B12R1.8 N#CCCCSc1cccnc1 62a_100000210063_100000687738 [0,1,1,0,0,0|0,0,2]=4 2497 B12R1.8 N#CCCCSc1cccnc1 62a_100000687738_100000210063 [0,1,1,0,0,0|0,0,2]=4 2498 B12R1.8 N#CCCNCc1ccccc1 2230a_100015324214_100011215226 [0,1,1,0,0,0|1,0,1]=4 2499 B12R1.8 N#CCCNCc1ccccc1 270004a_100000720768_100015611070 [0,1,1,0,0,0|1,0,1]=4 2500 B12R1.8 N#CCCNCc1cccnc1 270004a_100000720768_100000209961 [0,1,1,0,0,0|0,0,1]=3 2501 B12R1.8 N#CCCNCc1cccnn1 2230a_100159270163_100011215226 [0,1,1,0,0,0|1,0,1]=4 2502 B12R1.8 N#CCCNCc1ccnnc1 270004a_100000720768_100011934578 [0,1,1,0,0,0|1,0,1]=4 2503 B12R1.8 N#CCCNCc1cnccn1 270004a_100000720768_100000749867 [0,1,1,0,0,0|1,0,1]=4 2504 B12R1.8 N#CCCNCc1cncnc1 2230a_100011243677_100011215226 [0,1,1,0,0,0|1,0,1]=4 2505 B12R1.8 N#CCCNCc1cncnc1 270004a_100000720768_100000749868 [0,1,1,0,0,0|1,0,1]=4 2506 B12R1.8 N#CCCSCc1cccnc1 62a_100000741622_100011215226 [0,1,1,0,0,0|0,0,2]=4 2507 B12R1.8 N#CCCSCc1cccnc1 62a_100011215226_100000741622 [0,1,1,0,0,0|0,0,2]=4 2508 B12R1.8 N#CCNCCc1cccnc1 2230a_100000736294_100011215382 [0,1,1,0,0,0|0,0,2]=4 2509 B12R1.8 N#CCSCCc1cccnc1 62a_100011215382_200011713674 [0,1,1,0,0,0|0,0,2]=4 2510 B12R1.8 N#CCSCCc1cccnc1 62a_200011713674_100011215382 [0,1,1,0,0,0|0,0,2]=4 2511 B12R1.8 NCCCOCc1ccccc1 34a_100000182051_100015291786 [0,1,1,0,0,0|1,0,0]=3 2512 B12R1.8 NCCCOCc1ccccn1 34a_100000182051_100000721315 [0,1,1,0,0,0|2,0,0]=4 2513 B12R1.8 NCCCOCc1cccnc1 34a_100000182051_100000733263 [0,1,1,0,0,0|0,0,0]=2 2514 B12R1.8 NCCCOCc1cccnn1 34a_100000182051_100016990269 [0,1,1,0,0,0|1,0,0]=3 2515 B12R1.8 NCCCOCc1cnccn1 34a_100000182051_100016995436 [0,1,1,0,0,0|1,0,0]=3 2516 B12R1.8 NCCCOCc1cncnc1 34a_100000182051_100015196519 [0,1,1,0,0,0|1,0,0]=3 2517 B12R1.8 NCCOCCc1ccccc1 34a_100000210304_100000765856 [0,1,1,0,0,0|1,0,0]=3 2518 B12R1.8 NOCCOCc1ccccc1 34a_100000700252_100015291786 [0,1,1,0,0,0|2,0,0]=4 2519 B12R1.8 NOCCOCc1cccnc1 34a_100000700252_100000733263 [0,1,1,0,0,0|1,0,0]=3 2520 B12R1.8 NOCCOCc1cccnn1 34a_100000700252_100016990269 [0,1,1,0,0,0|2,0,0]=4 2521 B12R1.8 NOCCOCc1cnccn1 34a_100000700252_100016995436 [0,1,1,0,0,0|2,0,0]=4 2522 B12R1.8 NOCCOCc1cncnc1 34a_100000700252_100015196519 [0,1,1,0,0,0|2,0,0]=4 2523 B12R1.8 O=CCCCOc1cccnc1 7a_100000210849_200011292268 [0,1,1,0,0,0|1,0,1]=4 2524 B12R1.8 O=CCCCSc1cccnc1 62a_100000210063_200011292268 [0,1,1,0,0,0|1,0,1]=4 2525 B12R1.8 O=CCCCSc1cccnc1 62a_200011292268_100000210063 [0,1,1,0,0,0|1,0,1]=4 2526 B12R1.8 O=CCNCCc1cccnc1 2230a_100000736294_200015260668 [0,1,1,0,0,0|1,0,1]=4 2527 B12R1.8 O=CCOCCc1cccnc1 34a_100011217484_200009817547 [0,1,1,0,0,0|1,0,1]=4 2528 B12R1.8 O=CCSCCc1cccnc1 62a_200011713674_200015260668 [0,1,1,0,0,0|1,0,1]=4 2529 B12R1.8 O=CCSCCc1cccnc1 62a_200015260668_200011713674 [0,1,1,0,0,0|1,0,1]=4 2530 B12R1.8 OCCCCNc1ccccc1 34a_100000106764_100011216708 [0,1,1,0,0,0|2,0,0]=4 2531 B12R1.8 OCCCCNc1cccnn1 27a_100000750430_100016991348 [0,1,1,0,0,0|2,0,0]=4 2532 B12R1.8 OCCCCNc1cnccn1 27a_100000750430_100000211759 [0,1,1,0,0,0|2,0,0]=4 2533 B12R1.8 OCCCCOc1ccccc1 34a_100000210340_100011216708 [0,1,1,0,0,0|2,0,0]=4 2534 B12R1.8 OCCCCOc1ccccc1 7a_100000210340_100000210776 [0,1,1,0,0,0|2,0,0]=4 2535 B12R1.8 OCCCCOc1cccnc1 34a_100000210849_100011216708 [0,1,1,0,0,0|1,0,0]=3 2536 B12R1.8 OCCCCOc1cccnc1 7a_100000210849_100000210776 [0,1,1,0,0,0|1,0,0]=3 2537 B12R1.8 OCCCCOc1ccnnc1 34a_100015204005_100011216708 [0,1,1,0,0,0|2,0,0]=4 2538 B12R1.8 OCCCCOc1cncnc1 7a_100000754086_100000210776 [0,1,1,0,0,0|2,0,0]=4 2539 B12R1.8 OCCCCSc1ccccc1 62a_100000210776_100000041952 [0,1,1,0,0,0|2,0,0]=4 2540 B12R1.8 OCCCCSc1ccccc1 62a_100000719477_100000210776 [0,1,1,0,0,0|2,0,0]=4 2541 B12R1.8 OCCCCSc1cccnc1 62a_100000210063_100000210776 [0,1,1,0,0,0|1,0,0]=3 2542 B12R1.8 OCCCCSc1cccnc1 62a_100000210776_100000210063 [0,1,1,0,0,0|1,0,0]=3 2543 B12R1.8 OCCCCSc1cccnn1 62a_100000210776_100016991348 [0,1,1,0,0,0|2,0,0]=4 2544 B12R1.8 OCCCCSc1cccnn1 62a_100016991348_100000210776 [0,1,1,0,0,0|2,0,0]=4 2545 B12R1.8 OCCCCSc1ccnnc1 62a_100000210776_100000732662 [0,1,1,0,0,0|2,0,0]=4 2546 B12R1.8 OCCCCSc1ccnnc1 62a_100000732662_100000210776 [0,1,1,0,0,0|2,0,0]=4 2547 B12R1.8 OCCCCSc1cnccn1 62a_100000210776_100000211759 [0,1,1,0,0,0|2,0,0]=4 2548 B12R1.8 OCCCCSc1cnccn1 62a_100000211759_100000210776 [0,1,1,0,0,0|2,0,0]=4 2549 B12R1.8 OCCCCSc1cncnc1 62a_100000210776_100011206942 [0,1,1,0,0,0|2,0,0]=4 2550 B12R1.8 OCCCCSc1cncnc1 62a_100011206942_100000210776 [0,1,1,0,0,0|2,0,0]=4 2551 B12R1.8 OCCCNCc1ccccc1 207a_100000182051_100015611070 [0,1,1,0,0,0|1,0,0]=3 2552 B12R1.8 OCCCNCc1ccccc1 2230a_100015324214_100000230001 [0,1,1,0,0,0|1,0,0]=3 2553 B12R1.8 OCCCNCc1ccccc1 270004a_100000182051_100015611070 [0,1,1,0,0,0|1,0,0]=3 2554 B12R1.8 OCCCNCc1ccccc1 34a_100015324214_100000230001 [0,1,1,0,0,0|1,0,0]=3 2555 B12R1.8 OCCCNCc1ccccn1 207a_100000182051_100000209966 [0,1,1,0,0,0|2,0,0]=4 2556 B12R1.8 OCCCNCc1ccccn1 270004a_100000182051_100000209966 [0,1,1,0,0,0|2,0,0]=4 2557 B12R1.8 OCCCNCc1cccnc1 207a_100000182051_100000209961 [0,1,1,0,0,0|0,0,0]=2 2558 B12R1.8 OCCCNCc1cccnc1 270004a_100000182051_100000209961 [0,1,1,0,0,0|0,0,0]=2 2559 B12R1.8 OCCCNCc1cccnn1 2230a_100159270163_100000230001 [0,1,1,0,0,0|1,0,0]=3 2560 B12R1.8 OCCCNCc1ccncc1 207a_100000182051_100000186114 [0,1,1,0,0,0|2,0,0]=4 2561 B12R1.8 OCCCNCc1ccnnc1 270004a_100000182051_100011934578 [0,1,1,0,0,0|1,0,0]=3 2562 B12R1.8 OCCCNCc1cnccn1 270004a_100000182051_100000749867 [0,1,1,0,0,0|1,0,0]=3 2563 B12R1.8 OCCCNCc1cncnc1 2230a_100011243677_100000230001 [0,1,1,0,0,0|1,0,0]=3 2564 B12R1.8 OCCCNCc1cncnc1 270004a_100000182051_100000749868 [0,1,1,0,0,0|1,0,0]=3 2565 B12R1.8 OCCCOCc1ccccc1 34a_100000210790_100000230001 [0,1,1,0,0,0|2,0,0]=4 2566 B12R1.8 OCCCOCc1ccccc1 7a_100000210790_100011215043 [0,1,1,0,0,0|2,0,0]=4 2567 B12R1.8 OCCCSCc1ccccc1 62a_100000211182_100011215043 [0,1,1,0,0,0|2,0,0]=4 2568 B12R1.8 OCCCSCc1ccccc1 62a_100011215043_100015291786 [0,1,1,0,0,0|2,0,0]=4 2569 B12R1.8 OCCCSCc1cccnc1 62a_100000741622_100011215043 [0,1,1,0,0,0|1,0,0]=3 2570 B12R1.8 OCCCSCc1cccnc1 62a_100011215043_100000741622 [0,1,1,0,0,0|1,0,0]=3 2571 B12R1.8 OCCCSCc1cccnn1 62a_100011215043_100016990269 [0,1,1,0,0,0|2,0,0]=4 2572 B12R1.8 OCCCSCc1cccnn1 62a_100016990269_100011215043 [0,1,1,0,0,0|2,0,0]=4 2573 B12R1.8 OCCCSCc1cnccn1 62a_100011215043_100016995436 [0,1,1,0,0,0|2,0,0]=4 2574 B12R1.8 OCCCSCc1cnccn1 62a_100016995436_100011215043 [0,1,1,0,0,0|2,0,0]=4 2575 B12R1.8 OCCCSCc1cncnc1 62a_100011215043_100015196519 [0,1,1,0,0,0|2,0,0]=4 2576 B12R1.8 OCCCSCc1cncnc1 62a_100015196519_100011215043 [0,1,1,0,0,0|2,0,0]=4 2577 B12R1.8 OCCNCCc1ccccc1 2230a_100000106460_100000211926 [0,1,1,0,0,0|2,0,0]=4 2578 B12R1.8 OCCNCCc1ccccc1 2230a_100016997473_100000765856 [0,1,1,0,0,0|2,0,0]=4 2579 B12R1.8 OCCNCCc1ccccc1 34a_100000106460_100000211926 [0,1,1,0,0,0|2,0,0]=4 2580 B12R1.8 OCCNCCc1ccccc1 34a_100016990907_100000765856 [0,1,1,0,0,0|2,0,0]=4 2581 B12R1.8 OCCNCCc1cccnc1 2230a_100000736294_100000211926 [0,1,1,0,0,0|1,0,0]=3 2582 B12R1.8 OCCNCCc1cccnc1 2230a_100016997473_200011713674 [0,1,1,0,0,0|1,0,0]=3 2583 B12R1.8 OCCNCSc1ccccc1 2230a_100016997473_100011218342 [0,1,1,0,0,0|2,0,0]=4 2584 B12R1.8 OCCNN=Cc1cccnc1 4a_100000210001_100000209961 [0,1,1,0,0,0|1,0,1]=4 2585 B12R1.8 OCCOCCc1ccccc1 34a_100000210268_100000211926 [0,1,1,0,0,0|2,0,0]=4 2586 B12R1.8 OCCOCCc1ccccc1 7a_100000210268_100000211926 [0,1,1,0,0,0|2,0,0]=4 2587 B12R1.8 OCCOCCc1cccnc1 34a_100011217484_100000211926 [0,1,1,0,0,0|1,0,0]=3 2588 B12R1.8 OCCOCCc1cnccn1 34a_100011349526_100000211926 [0,1,1,0,0,0|2,0,0]=4 2589 B12R1.8 OCCOCCc1cncnc1 34a_100011709255_100000211926 [0,1,1,0,0,0|2,0,0]=4 2590 B12R1.8 OCCSCCc1ccccc1 62a_100000211926_100011218657 [0,1,1,0,0,0|2,0,0]=4 2591 B12R1.8 OCCSCCc1ccccc1 62a_100000765856_100000211926 [0,1,1,0,0,0|2,0,0]=4 2592 B12R1.8 OCCSCCc1cccnc1 62a_100000211926_200011713674 [0,1,1,0,0,0|1,0,0]=3 2593 B12R1.8 OCCSCCc1cccnc1 62a_200011713674_100000211926 [0,1,1,0,0,0|1,0,0]=3 2594 B12R1.8 [13CH3]NCCCCc1ccccc1 2230a_100015280158_200025704644 [0,1,1,0,0,0|1,0,0]=3 2595 B12R1.8 [13CH3]NCCCCc1ccccc1 34a_100015280158_200025704644 [0,1,1,0,0,0|1,0,0]=3 2596 B12R1.8 [13CH3]NCCCOc1ccccc1 2230a_100000216521_200025704644 [0,1,1,0,0,0|2,0,0]=4 2597 B12R1.8 [13CH3]NCCCOc1ccccc1 34a_100000216521_200025704644 [0,1,1,0,0,0|2,0,0]=4 2598 B12R1.8 [13CH3]NCCCSc1ccccc1 2230a_100000184639_200025704644 [0,1,1,0,0,0|2,0,0]=4 2599 B12R1.8 [13CH3]NCCOCc1ccccc1 2230a_100000753106_200025704644 [0,1,1,0,0,0|2,0,0]=4 2600 B12R1.8 [13CH3]NCCOCc1ccccc1 34a_100000753106_200025704644 [0,1,1,0,0,0|2,0,0]=4 2601 B12R1.8 [13CH3]NCCSCc1ccccc1 2230a_100000189534_200025704644 [0,1,1,0,0,0|2,0,0]=4 2602 B12R1.8 [13CH3]NCCSCc1ccccc1 34a_100000189534_200025704644 [0,1,1,0,0,0|2,0,0]=4 2603 B12R1.8 [13CH3]NCCSCc1ccccc1 7a_100000189534_200025704644 [0,1,1,0,0,0|2,0,0]=4 2604 B12R1.8 [13CH3]OCCC#Cc1cccnc1 34a_200011376248_200025704644 [0,1,1,0,0,0|1,0,1]=4 2605 B12R1.8 [13CH3]OCCCCc1ccccc1 34a_100000703073_200025704644 [0,1,1,0,0,0|2,0,0]=4 2606 B12R1.8 [13CH3]OCCCCc1ccccc1 7a_100000703073_200025704644 [0,1,1,0,0,0|2,0,0]=4 2607 B12R1.8 [13CH3]OCCCCc1cccnc1 34a_100012039607_200025704644 [0,1,1,0,0,0|1,0,0]=3 2608 B12R1.8 [13CH3]OCCCCc1cccnc1 7a_100012039607_200025704644 [0,1,1,0,0,0|1,0,0]=3 2609 B12R1.8 [13CH3]OCCNCc1ccccc1 34a_100000180844_200025704644 [0,1,1,0,0,0|1,0,0]=3 2610 B12R1.8 [13CH3]OCCOCc1ccccc1 34a_100000759325_200025704644 [0,1,1,0,0,0|2,0,0]=4 2611 B12R1.8 [13CH3]OCCOCc1ccccc1 7a_100000759325_200025704644 [0,1,1,0,0,0|2,0,0]=4 2612 B12R1.8 [13CH3]OCCSCc1ccccc1 34a_100011205989_200025704644 [0,1,1,0,0,0|2,0,0]=4 2613 B12R1.8 [13CH3]OCCSCc1ccccc1 7a_100011205989_200025704644 [0,1,1,0,0,0|2,0,0]=4 2614 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_100000701786_200025704644 [0,1,1,0,0,0|2,0,0]=4 2615 B12R1.8 [13CH3]SCCCCc1ccccc1 62a_200025704644_100000701786 [0,1,1,0,0,0|2,0,0]=4 2616 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_100000234347_200025704644 [0,1,1,0,0,0|2,0,0]=4 2617 B12R1.8 [13CH3]SCCOCc1ccccc1 62a_200025704644_100000234347 [0,1,1,0,0,0|2,0,0]=4 2618 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200011297719_200025704644 [0,1,1,0,0,0|2,0,0]=4 2619 B12R1.8 [13CH3]SCCSCc1ccccc1 62a_200025704644_200011297719 [0,1,1,0,0,0|2,0,0]=4 2620 B12R1.27 C#CC(C)NCc1cccnc1 2230a_100000707721_100000741622 [0,1,1,0,0,0|0,0,2]=4 2621 B12R1.27 C#CC(C)NCc1cccnc1 270004a_100000707721_100000209961 [0,1,1,0,0,0|0,0,2]=4 2622 B12R1.27 C#CC(C)NCc1cccnc1 34a_100000707721_100000733263 [0,1,1,0,0,0|0,0,2]=4 2623 B12R1.27 CC(C#N)NCc1cccnc1 2230a_100000737613_100000741622 [0,1,1,0,0,0|1,0,1]=4 2624 B12R1.27 CC(CF)OCc1cccnc1 34a_100016041109_100000733263 [0,1,1,0,0,0|2,0,0]=4 2625 B12R1.27 CC(CF)OCc1cccnc1 7a_100016041109_100000741622 [0,1,1,0,0,0|2,0,0]=4 2626 B12R1.27 CC(CN)OCc1ccccc1 34a_100000210904_100015291786 [0,1,1,0,0,0|2,0,0]=4 2627 B12R1.27 CC(CN)OCc1cccnc1 34a_100000210904_100000733263 [0,1,1,0,0,0|1,0,0]=3 2628 B12R1.27 CC(CN)OCc1cccnn1 34a_100000210904_100016990269 [0,1,1,0,0,0|2,0,0]=4 2629 B12R1.27 CC(CN)OCc1cnccn1 34a_100000210904_100016995436 [0,1,1,0,0,0|2,0,0]=4 2630 B12R1.27 CC(CN)OCc1cncnc1 34a_100000210904_100015196519 [0,1,1,0,0,0|2,0,0]=4 2631 B12R1.27 CC(CO)NCc1ccccc1 2230a_100015324214_100012180447 [0,1,1,0,0,0|2,0,0]=4 2632 B12R1.27 CC(CO)NCc1ccccc1 34a_100015324214_100012180447 [0,1,1,0,0,0|2,0,0]=4 2633 B12R1.27 CC(CO)NCc1cccnn1 2230a_100159270163_100012180447 [0,1,1,0,0,0|2,0,0]=4 2634 B12R1.27 CC(CO)NCc1cncnc1 2230a_100011243677_100012180447 [0,1,1,0,0,0|2,0,0]=4 2635 B12R1.27 CC(CO)SCc1cccnc1 62a_100012180447_100000741622 [0,1,1,0,0,0|2,0,0]=4 2636 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000198484_100000210202 [0,1,1,0,0,0|1,0,1]=4 2637 B12R1.27 CCC(=O)CCc1cccnc1 1458a_100000210414_200011713674 [0,1,1,0,0,0|1,0,1]=4 2638 B12R1.27 CCC(=O)NCc1ccccc1 11a_100015324214_100000210414 [0,1,1,0,0,0|1,0,1]=4 2639 B12R1.27 CCC(=O)NCc1ccccc1 1626a_100015324214_100000210414 [0,1,1,0,0,0|1,0,1]=4 2640 B12R1.27 CCC(=O)NCc1ccccc1 240690a_100015324214_100000210414 [0,1,1,0,0,0|1,0,1]=4 2641 B12R1.27 CCC(=O)NCc1ccccc1 527a_100015324214_100000210414 [0,1,1,0,0,0|1,0,1]=4 2642 B12R1.27 CCC(=O)NCc1cccnc1 11a_100000210453_100000210414 [0,1,1,0,0,0|0,0,1]=3 2643 B12R1.27 CCC(=O)NCc1cccnc1 240690a_100000210453_100000210414 [0,1,1,0,0,0|0,0,1]=3 2644 B12R1.27 CCC(=O)NCc1cccnc1 527a_100000210453_100000210414 [0,1,1,0,0,0|0,0,1]=3 2645 B12R1.27 CCC(=O)NCc1cccnn1 11a_100159270163_100000210414 [0,1,1,0,0,0|1,0,1]=4 2646 B12R1.27 CCC(=O)NCc1cccnn1 240690a_100159270163_100000210414 [0,1,1,0,0,0|1,0,1]=4 2647 B12R1.27 CCC(=O)NCc1cccnn1 527a_100159270163_100000210414 [0,1,1,0,0,0|1,0,1]=4 2648 B12R1.27 CCC(=O)NCc1cnccn1 11a_100000737960_100000210414 [0,1,1,0,0,0|1,0,1]=4 2649 B12R1.27 CCC(=O)NCc1cnccn1 240690a_100000737960_100000210414 [0,1,1,0,0,0|1,0,1]=4 2650 B12R1.27 CCC(=O)NCc1cnccn1 527a_100000737960_100000210414 [0,1,1,0,0,0|1,0,1]=4 2651 B12R1.27 CCC(=O)NCc1cncnc1 11a_100011243677_100000210414 [0,1,1,0,0,0|1,0,1]=4 2652 B12R1.27 CCC(=O)NCc1cncnc1 240690a_100011243677_100000210414 [0,1,1,0,0,0|1,0,1]=4 2653 B12R1.27 CCC(=O)NCc1cncnc1 527a_100011243677_100000210414 [0,1,1,0,0,0|1,0,1]=4 2654 B12R1.27 CCC(=O)NNc1cccnc1 22a_100000728903_100000210414 [0,1,1,0,0,0|1,0,1]=4 2655 B12R1.27 CCC(C)COc1cccnc1 34a_100000210849_100000748023 [0,1,1,0,0,0|2,0,0]=4 2656 B12R1.27 CCC(C)COc1cccnc1 7a_100000210849_100000748023 [0,1,1,0,0,0|2,0,0]=4 2657 B12R1.27 CCC(C)CSc1cccnc1 62a_100000210063_100000748023 [0,1,1,0,0,0|2,0,0]=4 2658 B12R1.27 CCC(C)CSc1cccnc1 62a_100000748023_100000210063 [0,1,1,0,0,0|2,0,0]=4 2659 B12R1.27 CCC(C)NCc1ccccc1 207a_100000209981_100015611070 [0,1,1,0,0,0|1,0,0]=3 2660 B12R1.27 CCC(C)NCc1ccccc1 2230a_100000209981_100015291786 [0,1,1,0,0,0|1,0,0]=3 2661 B12R1.27 CCC(C)NCc1ccccc1 2230a_100015324214_100000758301 [0,1,1,0,0,0|1,0,0]=3 2662 B12R1.27 CCC(C)NCc1ccccc1 270004a_100000209981_100015611070 [0,1,1,0,0,0|1,0,0]=3 2663 B12R1.27 CCC(C)NCc1ccccc1 34a_100015324214_100011215416 [0,1,1,0,0,0|1,0,0]=3 2664 B12R1.27 CCC(C)NCc1ccccn1 207a_100000209981_100000209966 [0,1,1,0,0,0|2,0,0]=4 2665 B12R1.27 CCC(C)NCc1ccccn1 2230a_100000209981_100000721315 [0,1,1,0,0,0|2,0,0]=4 2666 B12R1.27 CCC(C)NCc1ccccn1 270004a_100000209981_100000209966 [0,1,1,0,0,0|2,0,0]=4 2667 B12R1.27 CCC(C)NCc1cccnc1 207a_100000209981_100000209961 [0,1,1,0,0,0|0,0,0]=2 2668 B12R1.27 CCC(C)NCc1cccnc1 2230a_100000209981_100000741622 [0,1,1,0,0,0|0,0,0]=2 2669 B12R1.27 CCC(C)NCc1cccnc1 270004a_100000209981_100000209961 [0,1,1,0,0,0|0,0,0]=2 2670 B12R1.27 CCC(C)NCc1cccnn1 2230a_100000209981_100016990269 [0,1,1,0,0,0|1,0,0]=3 2671 B12R1.27 CCC(C)NCc1cccnn1 2230a_100159270163_100000758301 [0,1,1,0,0,0|1,0,0]=3 2672 B12R1.27 CCC(C)NCc1ccncc1 207a_100000209981_100000186114 [0,1,1,0,0,0|2,0,0]=4 2673 B12R1.27 CCC(C)NCc1ccncc1 2230a_100000209981_100015193705 [0,1,1,0,0,0|2,0,0]=4 2674 B12R1.27 CCC(C)NCc1ccnnc1 270004a_100000209981_100011934578 [0,1,1,0,0,0|1,0,0]=3 2675 B12R1.27 CCC(C)NCc1cnccn1 2230a_100000209981_100016995436 [0,1,1,0,0,0|1,0,0]=3 2676 B12R1.27 CCC(C)NCc1cnccn1 270004a_100000209981_100000749867 [0,1,1,0,0,0|1,0,0]=3 2677 B12R1.27 CCC(C)NCc1cncnc1 2230a_100000209981_100015196519 [0,1,1,0,0,0|1,0,0]=3 2678 B12R1.27 CCC(C)NCc1cncnc1 2230a_100011243677_100000758301 [0,1,1,0,0,0|1,0,0]=3 2679 B12R1.27 CCC(C)NCc1cncnc1 270004a_100000209981_100000749868 [0,1,1,0,0,0|1,0,0]=3 2680 B12R1.27 CCC(C)OCc1ccccc1 34a_100000210790_100011215416 [0,1,1,0,0,0|2,0,0]=4 2681 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210228_100000211182 [0,1,1,0,0,0|2,0,0]=4 2682 B12R1.27 CCC(C)OCc1ccccc1 7a_100000210790_100000758301 [0,1,1,0,0,0|2,0,0]=4 2683 B12R1.27 CCC(C)OCc1cccnc1 7a_100000210228_100000741622 [0,1,1,0,0,0|1,0,0]=3 2684 B12R1.27 CCC(C)OCc1cccnn1 7a_100000210228_100016990269 [0,1,1,0,0,0|2,0,0]=4 2685 B12R1.27 CCC(C)OCc1cnccn1 7a_100000210228_100016995436 [0,1,1,0,0,0|2,0,0]=4 2686 B12R1.27 CCC(C)OCc1cncnc1 7a_100000210228_100015196519 [0,1,1,0,0,0|2,0,0]=4 2687 B12R1.27 CCC(C)SCc1ccccc1 62a_100000211182_100000758301 [0,1,1,0,0,0|2,0,0]=4 2688 B12R1.27 CCC(C)SCc1ccccc1 62a_100000758301_100015291786 [0,1,1,0,0,0|2,0,0]=4 2689 B12R1.27 CCC(C)SCc1cccnc1 62a_100000741622_100000758301 [0,1,1,0,0,0|1,0,0]=3 2690 B12R1.27 CCC(C)SCc1cccnc1 62a_100000758301_100000741622 [0,1,1,0,0,0|1,0,0]=3 2691 B12R1.27 CCC(C)SCc1cccnn1 62a_100000758301_100016990269 [0,1,1,0,0,0|2,0,0]=4 2692 B12R1.27 CCC(C)SCc1cccnn1 62a_100016990269_100000758301 [0,1,1,0,0,0|2,0,0]=4 2693 B12R1.27 CCC(C)SCc1cnccn1 62a_100000758301_100016995436 [0,1,1,0,0,0|2,0,0]=4 2694 B12R1.27 CCC(C)SCc1cnccn1 62a_100016995436_100000758301 [0,1,1,0,0,0|2,0,0]=4 2695 B12R1.27 CCC(C)SCc1cncnc1 62a_100000758301_100015196519 [0,1,1,0,0,0|2,0,0]=4 2696 B12R1.27 CCC(C)SCc1cncnc1 62a_100015196519_100000758301 [0,1,1,0,0,0|2,0,0]=4 2697 B12R1.27 CCC(O)COc1cccnc1 34a_100000210849_100011218378 [0,1,1,0,0,0|2,0,0]=4 2698 B12R1.27 CCC(O)COc1cccnc1 7a_100000210849_100011218378 [0,1,1,0,0,0|2,0,0]=4 2699 B12R1.27 CCC(O)CSc1cccnc1 62a_100000210063_100011218378 [0,1,1,0,0,0|2,0,0]=4 2700 B12R1.27 CCC(O)CSc1cccnc1 62a_100011218378_100000210063 [0,1,1,0,0,0|2,0,0]=4 2701 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000225621_200011713674 [0,1,1,0,0,0|2,0,0]=4 2702 B12R1.27 CCN(C)CCc1cccnc1 2230a_100000763209_100000210202 [0,1,1,0,0,0|2,0,0]=4 2703 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000225621_200011713674 [0,1,1,0,0,0|2,0,0]=4 2704 B12R1.27 CCN(C)CCc1cccnc1 269982a_100000763209_100000204670 [0,1,1,0,0,0|2,0,0]=4 2705 B12R1.27 CC[C@H](C)COc1cccnc1 34a_100000210849_100009816398 [0,1,1,0,0,0|2,0,0]=4 2706 B12R1.27 CC[C@H](C)COc1cccnc1 7a_100000210849_100009816398 [0,1,1,0,0,0|2,0,0]=4 2707 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100000210063_100009816398 [0,1,1,0,0,0|2,0,0]=4 2708 B12R1.27 CC[C@H](C)CSc1cccnc1 62a_100009816398_100000210063 [0,1,1,0,0,0|2,0,0]=4 2709 B12R1.27 CN(CF)CCc1cccnc1 269982a_100000763209_100015361967 [0,1,1,0,0,0|2,0,0]=4 2710 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100000210453_106832991635 [0,1,1,0,0,0|1,0,1]=4 2711 B12R1.27 CNC(=O)NCc1cccnc1 2708a_100102657272_100000210453 [0,1,1,0,0,0|1,0,1]=4 2712 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100000210453_100102657272 [0,1,1,0,0,0|1,0,1]=4 2713 B12R1.27 CNC(=O)NCc1cccnc1 273464a_100102657272_100000210453 [0,1,1,0,0,0|1,0,1]=4 2714 B12R1.27 CNC(=O)NCc1cccnc1 512a_100000210453_100102657272 [0,1,1,0,0,0|1,0,1]=4 2715 B12R1.27 CNC(=O)NCc1cccnc1 512a_106832991638_100000210453 [0,1,1,0,0,0|1,0,1]=4 2716 B12R1.27 COC(C)SCc1cccnc1 62a_100000741622_100009879195 [0,1,1,0,0,0|2,0,0]=4 2717 B12R1.27 COC(C)SCc1cccnc1 62a_100009879195_100000741622 [0,1,1,0,0,0|2,0,0]=4 2718 B12R1.27 C[C@@H](CO)COc1cccnc1 34a_100000210849_100000059175 [0,1,1,0,0,0|2,0,0]=4 2719 B12R1.27 C[C@@H](CO)COc1cccnc1 7a_100000210849_100000059175 [0,1,1,0,0,0|2,0,0]=4 2720 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000059175_100000210063 [0,1,1,0,0,0|2,0,0]=4 2721 B12R1.27 C[C@@H](CO)CSc1cccnc1 62a_100000210063_100000059175 [0,1,1,0,0,0|2,0,0]=4 2722 B12R1.27 C[C@H](CF)NCc1ccccc1 207a_100102880703_100015611070 [0,1,1,0,0,0|2,0,0]=4 2723 B12R1.27 C[C@H](CF)NCc1ccccc1 270004a_100102880703_100015611070 [0,1,1,0,0,0|2,0,0]=4 2724 B12R1.27 C[C@H](CF)NCc1cccnc1 207a_100102880703_100000209961 [0,1,1,0,0,0|1,0,0]=3 2725 B12R1.27 C[C@H](CF)NCc1cccnc1 270004a_100102880703_100000209961 [0,1,1,0,0,0|1,0,0]=3 2726 B12R1.27 C[C@H](CF)NCc1ccnnc1 270004a_100102880703_100011934578 [0,1,1,0,0,0|2,0,0]=4 2727 B12R1.27 C[C@H](CF)NCc1cnccn1 270004a_100102880703_100000749867 [0,1,1,0,0,0|2,0,0]=4 2728 B12R1.27 C[C@H](CF)NCc1cncnc1 270004a_100102880703_100000749868 [0,1,1,0,0,0|2,0,0]=4 2729 B12R1.27 C[C@H](CO)NCc1ccccc1 207a_100000737577_100015611070 [0,1,1,0,0,0|2,0,0]=4 2730 B12R1.27 C[C@H](CO)NCc1ccccc1 2230a_100000737577_100015291786 [0,1,1,0,0,0|2,0,0]=4 2731 B12R1.27 C[C@H](CO)NCc1ccccc1 270004a_100000737577_100015611070 [0,1,1,0,0,0|2,0,0]=4 2732 B12R1.27 C[C@H](CO)NCc1cccnc1 207a_100000737577_100000209961 [0,1,1,0,0,0|1,0,0]=3 2733 B12R1.27 C[C@H](CO)NCc1cccnc1 2230a_100000737577_100000741622 [0,1,1,0,0,0|1,0,0]=3 2734 B12R1.27 C[C@H](CO)NCc1cccnc1 270004a_100000737577_100000209961 [0,1,1,0,0,0|1,0,0]=3 2735 B12R1.27 C[C@H](CO)NCc1cccnn1 2230a_100000737577_100016990269 [0,1,1,0,0,0|2,0,0]=4 2736 B12R1.27 C[C@H](CO)NCc1ccnnc1 270004a_100000737577_100011934578 [0,1,1,0,0,0|2,0,0]=4 2737 B12R1.27 C[C@H](CO)NCc1cnccn1 2230a_100000737577_100016995436 [0,1,1,0,0,0|2,0,0]=4 2738 B12R1.27 C[C@H](CO)NCc1cnccn1 270004a_100000737577_100000749867 [0,1,1,0,0,0|2,0,0]=4 2739 B12R1.27 C[C@H](CO)NCc1cncnc1 2230a_100000737577_100015196519 [0,1,1,0,0,0|2,0,0]=4 2740 B12R1.27 C[C@H](CO)NCc1cncnc1 270004a_100000737577_100000749868 [0,1,1,0,0,0|2,0,0]=4 2741 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100000741622_100016084084 [0,1,1,0,0,0|2,0,0]=4 2742 B12R1.27 C[C@H](CO)SCc1cccnc1 62a_100016084084_100000741622 [0,1,1,0,0,0|2,0,0]=4 2743 B12R1.27 O=C(CF)CCc1cccnc1 1458a_100000198484_100015361967 [0,1,1,0,0,0|1,0,1]=4 2744 B12R1.27 O=C(CO)CCc1cccnc1 1458a_100000210174_200011713674 [0,1,1,0,0,0|1,0,1]=4 2745 B12R1.27 O=C(CO)NCc1cccnc1 240690a_100000210453_100000210174 [0,1,1,0,0,0|1,0,1]=4 2746 B12R1.27 O=C(CO)NCc1cccnc1 527a_100000210453_100000210174 [0,1,1,0,0,0|1,0,1]=4 2747 B12R1.27 OCC(O)COc1cccnc1 34a_100000210849_100011219619 [0,1,1,0,0,0|2,0,0]=4 2748 B12R1.27 OCC(O)COc1cccnc1 7a_100000210849_100011219619 [0,1,1,0,0,0|2,0,0]=4 2749 B12R1.27 OCC(O)CSc1cccnc1 62a_100000210063_100011219619 [0,1,1,0,0,0|2,0,0]=4 2750 B12R1.27 OCC(O)CSc1cccnc1 62a_100011219619_100000210063 [0,1,1,0,0,0|2,0,0]=4 2751 B12R1.27 OC[C@H](O)COc1cccnc1 34a_100000210849_100009815848 [0,1,1,0,0,0|2,0,0]=4 2752 B12R1.27 OC[C@H](O)COc1cccnc1 7a_100000210849_100009815848 [0,1,1,0,0,0|2,0,0]=4 2753 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100000210063_100009815848 [0,1,1,0,0,0|2,0,0]=4 2754 B12R1.27 OC[C@H](O)CSc1cccnc1 62a_100009815848_100000210063 [0,1,1,0,0,0|2,0,0]=4 2755 B12R1.27 O[C@@H](CF)COc1cccnc1 34a_100000210849_100015614560 [0,1,1,0,0,0|2,0,0]=4 2756 B12R1.27 O[C@@H](CF)COc1cccnc1 7a_100000210849_100015614560 [0,1,1,0,0,0|2,0,0]=4 2757 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100000210063_100015614560 [0,1,1,0,0,0|2,0,0]=4 2758 B12R1.27 O[C@@H](CF)CSc1cccnc1 62a_100015614560_100000210063 [0,1,1,0,0,0|2,0,0]=4 2759 B12R1.28 BrCCOCc1cncc(c1)Br 34a_100000211926_100000738771 [0,1,1,0,0,0|2,0,0]=4 2760 B12R1.28 C#CCNCc1cncc(c1)Br 34a_100000212058_100000738771 [0,1,1,0,0,0|0,0,2]=4 2761 B12R1.28 C#CCNCc1cncc(c1)C 2230a_100000692839_100000038162 [0,1,1,0,0,0|0,0,2]=4 2762 B12R1.28 C#CCNCc1cncc(c1)C 34a_100000212058_100000716715 [0,1,1,0,0,0|0,0,2]=4 2763 B12R1.28 C#CCNCc1cncc(c1)C 34a_100000692839_100000184674 [0,1,1,0,0,0|0,0,2]=4 2764 B12R1.28 C#CCNCc1cncc(c1)Cl 2230a_200020614424_100000038162 [0,1,1,0,0,0|0,0,2]=4 2765 B12R1.28 C#CCNCc1cncc(c1)Cl 34a_100000212058_100016992070 [0,1,1,0,0,0|0,0,2]=4 2766 B12R1.28 C#CCNCc1cncc(c1)F 2230a_100011962886_100000038162 [0,1,1,0,0,0|0,0,2]=4 2767 B12R1.28 C#CCNCc1cncc(c1)F 34a_100000212058_100000725299 [0,1,1,0,0,0|0,0,2]=4 2768 B12R1.28 C#CCNCc1cncc(c1)F 34a_100011962886_100000184674 [0,1,1,0,0,0|0,0,2]=4 2769 B12R1.28 C=CCNCc1cncc(c1)Br 2230a_100020586998_100000738771 [0,1,1,0,0,0|0,0,2]=4 2770 B12R1.28 C=CCNCc1cncc(c1)Br 270004a_100020586998_100000687066 [0,1,1,0,0,0|0,0,2]=4 2771 B12R1.28 C=CCNCc1cncc(c1)C 2230a_100000692839_100000210623 [0,1,1,0,0,0|0,0,2]=4 2772 B12R1.28 C=CCNCc1cncc(c1)C 2230a_100020586998_100000716715 [0,1,1,0,0,0|0,0,2]=4 2773 B12R1.28 C=CCNCc1cncc(c1)C 270004a_100020586998_100011998712 [0,1,1,0,0,0|0,0,2]=4 2774 B12R1.28 C=CCNCc1cncc(c1)C 34a_100000692839_100015514636 [0,1,1,0,0,0|0,0,2]=4 2775 B12R1.28 C=CCNCc1cncc(c1)Cl 2230a_100020586998_100016992070 [0,1,1,0,0,0|0,0,2]=4 2776 B12R1.28 C=CCNCc1cncc(c1)Cl 2230a_200020614424_100000210623 [0,1,1,0,0,0|0,0,2]=4 2777 B12R1.28 C=CCNCc1cncc(c1)Cl 270004a_100020586998_100000088910 [0,1,1,0,0,0|0,0,2]=4 2778 B12R1.28 C=CCNCc1cncc(c1)F 2230a_100011962886_100000210623 [0,1,1,0,0,0|0,0,2]=4 2779 B12R1.28 C=CCNCc1cncc(c1)F 2230a_100020586998_100000725299 [0,1,1,0,0,0|0,0,2]=4 2780 B12R1.28 C=CCNCc1cncc(c1)F 270004a_100020586998_100011361476 [0,1,1,0,0,0|0,0,2]=4 2781 B12R1.28 C=CCNCc1cncc(c1)F 34a_100011962886_100015514636 [0,1,1,0,0,0|0,0,2]=4 2782 B12R1.28 C=CCNCc1cncc(c1)O 270004a_100020586998_100012187055 [0,1,1,0,0,0|0,0,2]=4 2783 B12R1.28 CCCC=Cc1cncc(c1)Br 271570a_100016258520_100000728054 [0,1,1,0,0,0|1,0,1]=4 2784 B12R1.28 CCCC=Cc1cncc(c1)C 271570a_100016258520_100000760492 [0,1,1,0,0,0|1,0,1]=4 2785 B12R1.28 CCCC=Cc1cncc(c1)Cl 271570a_100016258520_100000049639 [0,1,1,0,0,0|1,0,1]=4 2786 B12R1.28 CCCC=Cc1cncc(c1)F 271570a_100016258520_100000744099 [0,1,1,0,0,0|1,0,1]=4 2787 B12R1.28 CCCC=Cc1cncc(c1)N 271570a_100016258520_100000687067 [0,1,1,0,0,0|1,0,1]=4 2788 B12R1.28 CCCC=Cc1cncc(c1)O 271570a_100016258520_100000754920 [0,1,1,0,0,0|1,0,1]=4 2789 B12R1.28 CCCCOc1cncc(c1)Br 34a_100000754920_100000210210 [0,1,1,0,0,0|2,0,0]=4 2790 B12R1.28 CCCCOc1cncc(c1)Br 7a_100000754920_100000210211 [0,1,1,0,0,0|2,0,0]=4 2791 B12R1.28 CCCCOc1cncc(c1)C 34a_100011830280_100000210210 [0,1,1,0,0,0|2,0,0]=4 2792 B12R1.28 CCCCOc1cncc(c1)C 7a_100011830280_100000210211 [0,1,1,0,0,0|2,0,0]=4 2793 B12R1.28 CCCCOc1cncc(c1)Cl 7a_100000032511_100000210211 [0,1,1,0,0,0|2,0,0]=4 2794 B12R1.28 CCCCOc1cncc(c1)F 34a_100011830296_100000210210 [0,1,1,0,0,0|2,0,0]=4 2795 B12R1.28 CCCCOc1cncc(c1)F 7a_100011830296_100000210211 [0,1,1,0,0,0|2,0,0]=4 2796 B12R1.28 CCCCOc1cncc(c1)N 34a_100011997051_100000210210 [0,1,1,0,0,0|2,0,0]=4 2797 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000210211_100000728054 [0,1,1,0,0,0|2,0,0]=4 2798 B12R1.28 CCCCSc1cncc(c1)Br 62a_100000728054_100000210210 [0,1,1,0,0,0|2,0,0]=4 2799 B12R1.28 CCCCSc1cncc(c1)C 62a_100000210211_100000760492 [0,1,1,0,0,0|2,0,0]=4 2800 B12R1.28 CCCCSc1cncc(c1)C 62a_100000760492_100000210210 [0,1,1,0,0,0|2,0,0]=4 2801 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000049639_100000210210 [0,1,1,0,0,0|2,0,0]=4 2802 B12R1.28 CCCCSc1cncc(c1)Cl 62a_100000210211_100000049639 [0,1,1,0,0,0|2,0,0]=4 2803 B12R1.28 CCCCSc1cncc(c1)F 62a_100000210211_100000744099 [0,1,1,0,0,0|2,0,0]=4 2804 B12R1.28 CCCCSc1cncc(c1)F 62a_100000744099_100000210210 [0,1,1,0,0,0|2,0,0]=4 2805 B12R1.28 CCCCSc1cncc(c1)N 62a_100000210211_100000687067 [0,1,1,0,0,0|2,0,0]=4 2806 B12R1.28 CCCCSc1cncc(c1)N 62a_100000687067_100000210210 [0,1,1,0,0,0|2,0,0]=4 2807 B12R1.28 CCCCSc1cncc(c1)O 62a_100000210211_100000754920 [0,1,1,0,0,0|2,0,0]=4 2808 B12R1.28 CCCCSc1cncc(c1)O 62a_100000754920_100000210210 [0,1,1,0,0,0|2,0,0]=4 2809 B12R1.28 CCCNCc1cc(ccn1)Br 270004a_100020643023_100009818557 [0,1,1,0,0,0|2,0,0]=4 2810 B12R1.28 CCCNCc1cc(ccn1)C 207a_100020643023_100011361488 [0,1,1,0,0,0|2,0,0]=4 2811 B12R1.28 CCCNCc1cc(ccn1)C 270004a_100020643023_100011361488 [0,1,1,0,0,0|2,0,0]=4 2812 B12R1.28 CCCNCc1cc(ccn1)Cl 270004a_100020643023_100011998288 [0,1,1,0,0,0|2,0,0]=4 2813 B12R1.28 CCCNCc1cccc(=O)[nH]1 207a_100020643023_100011935257 [0,1,1,0,0,0|2,0,0]=4 2814 B12R1.28 CCCNCc1cccc(=O)[nH]1 2230a_100000696482_100000210303 [0,1,1,0,0,0|2,0,0]=4 2815 B12R1.28 CCCNCc1cccc(c1)Br 207a_100020643023_100000210085 [0,1,1,0,0,0|1,0,0]=3 2816 B12R1.28 CCCNCc1cccc(c1)Br 2230a_100000174977_100000210303 [0,1,1,0,0,0|1,0,0]=3 2817 B12R1.28 CCCNCc1cccc(c1)Br 270004a_100020643023_100000210085 [0,1,1,0,0,0|1,0,0]=3 2818 B12R1.28 CCCNCc1cccc(c1)Br 34a_100000174977_100000210303 [0,1,1,0,0,0|1,0,0]=3 2819 B12R1.28 CCCNCc1cccc(c1)C 207a_100020643023_100000211157 [0,1,1,0,0,0|1,0,0]=3 2820 B12R1.28 CCCNCc1cccc(c1)C 2230a_100000185548_100000210303 [0,1,1,0,0,0|1,0,0]=3 2821 B12R1.28 CCCNCc1cccc(c1)C 270004a_100020643023_100000211157 [0,1,1,0,0,0|1,0,0]=3 2822 B12R1.28 CCCNCc1cccc(c1)C 34a_100000185548_100000210303 [0,1,1,0,0,0|1,0,0]=3 2823 B12R1.28 CCCNCc1cccc(c1)Cl 207a_100020643023_100000210801 [0,1,1,0,0,0|1,0,0]=3 2824 B12R1.28 CCCNCc1cccc(c1)Cl 2230a_100000174878_100000210303 [0,1,1,0,0,0|1,0,0]=3 2825 B12R1.28 CCCNCc1cccc(c1)Cl 270004a_100020643023_100000210801 [0,1,1,0,0,0|1,0,0]=3 2826 B12R1.28 CCCNCc1cccc(c1)Cl 34a_100000174878_100000210303 [0,1,1,0,0,0|1,0,0]=3 2827 B12R1.28 CCCNCc1cccc(c1)F 207a_100020643023_100000210812 [0,1,1,0,0,0|1,0,0]=3 2828 B12R1.28 CCCNCc1cccc(c1)F 2230a_100000174948_100000210303 [0,1,1,0,0,0|1,0,0]=3 2829 B12R1.28 CCCNCc1cccc(c1)F 270004a_100020643023_100000210812 [0,1,1,0,0,0|1,0,0]=3 2830 B12R1.28 CCCNCc1cccc(c1)F 34a_100000174948_100000210303 [0,1,1,0,0,0|1,0,0]=3 2831 B12R1.28 CCCNCc1cccc(c1)I 207a_100020643023_100000014684 [0,1,1,0,0,0|1,0,0]=3 2832 B12R1.28 CCCNCc1cccc(c1)I 2230a_100000106179_100000210303 [0,1,1,0,0,0|1,0,0]=3 2833 B12R1.28 CCCNCc1cccc(c1)I 270004a_100020643023_100000014684 [0,1,1,0,0,0|1,0,0]=3 2834 B12R1.28 CCCNCc1cccc(c1)I 34a_100000106179_100000210303 [0,1,1,0,0,0|1,0,0]=3 2835 B12R1.28 CCCNCc1cccc(c1)O 207a_100020643023_100000188321 [0,1,1,0,0,0|1,0,0]=3 2836 B12R1.28 CCCNCc1cccc(c1)O 2230a_100000743036_100000210303 [0,1,1,0,0,0|1,0,0]=3 2837 B12R1.28 CCCNCc1cccc(c1)O 270004a_100020643023_100000188321 [0,1,1,0,0,0|1,0,0]=3 2838 B12R1.28 CCCNCc1cccc(c1)O 271570a_203496583355_100015184641 [0,1,1,0,0,0|1,0,0]=3 2839 B12R1.28 CCCNCc1cccc(c1)O 34a_100000743036_100000210303 [0,1,1,0,0,0|1,0,0]=3 2840 B12R1.28 CCCNCc1cccc(n1)Br 2230a_100016987751_100000210303 [0,1,1,0,0,0|2,0,0]=4 2841 B12R1.28 CCCNCc1cccc(n1)Br 270004a_100020643023_100000688028 [0,1,1,0,0,0|2,0,0]=4 2842 B12R1.28 CCCNCc1cccc(n1)C 207a_100020643023_100011215050 [0,1,1,0,0,0|2,0,0]=4 2843 B12R1.28 CCCNCc1cccc(n1)C 270004a_100020643023_100011215050 [0,1,1,0,0,0|2,0,0]=4 2844 B12R1.28 CCCNCc1cccc(n1)C 34a_100000701342_100000210303 [0,1,1,0,0,0|2,0,0]=4 2845 B12R1.28 CCCNCc1cccc(n1)Cl 2230a_100016990191_100000210303 [0,1,1,0,0,0|2,0,0]=4 2846 B12R1.28 CCCNCc1cccc(n1)Cl 270004a_100020643023_100011361687 [0,1,1,0,0,0|2,0,0]=4 2847 B12R1.28 CCCNCc1cccc(n1)F 2230a_100015188798_100000210303 [0,1,1,0,0,0|2,0,0]=4 2848 B12R1.28 CCCNCc1cccc(n1)F 270004a_100020643023_100000050434 [0,1,1,0,0,0|2,0,0]=4 2849 B12R1.28 CCCNCc1cccc(n1)F 34a_100015188798_100000210303 [0,1,1,0,0,0|2,0,0]=4 2850 B12R1.28 CCCNCc1ccnc(c1)Br 2230a_100025757509_100000210303 [0,1,1,0,0,0|2,0,0]=4 2851 B12R1.28 CCCNCc1ccnc(c1)Br 270004a_100020643023_100009814634 [0,1,1,0,0,0|2,0,0]=4 2852 B12R1.28 CCCNCc1ccnc(c1)Br 34a_100025757509_100000210303 [0,1,1,0,0,0|2,0,0]=4 2853 B12R1.28 CCCNCc1ccnc(c1)C 207a_100020643023_100011361630 [0,1,1,0,0,0|2,0,0]=4 2854 B12R1.28 CCCNCc1ccnc(c1)C 270004a_100020643023_100011361630 [0,1,1,0,0,0|2,0,0]=4 2855 B12R1.28 CCCNCc1ccnc(c1)C 34a_100011934566_100000210303 [0,1,1,0,0,0|2,0,0]=4 2856 B12R1.28 CCCNCc1ccnc(c1)Cl 2230a_100015205668_100000210303 [0,1,1,0,0,0|2,0,0]=4 2857 B12R1.28 CCCNCc1ccnc(c1)Cl 270004a_100020643023_100011290808 [0,1,1,0,0,0|2,0,0]=4 2858 B12R1.28 CCCNCc1ccnc(c1)Cl 34a_100015205668_100000210303 [0,1,1,0,0,0|2,0,0]=4 2859 B12R1.28 CCCNCc1ccnc(c1)F 2230a_100015188774_100000210303 [0,1,1,0,0,0|2,0,0]=4 2860 B12R1.28 CCCNCc1ccnc(c1)F 270004a_100020643023_100000068331 [0,1,1,0,0,0|2,0,0]=4 2861 B12R1.28 CCCNCc1ccnc(c1)F 34a_100015188774_100000210303 [0,1,1,0,0,0|2,0,0]=4 2862 B12R1.28 CCCNCc1ccnc(c1)O 207a_100020643023_100000688113 [0,1,1,0,0,0|2,0,0]=4 2863 B12R1.28 CCCNCc1cncc(c1)Br 207a_100020643023_100000687066 [0,1,1,0,0,0|0,0,0]=2 2864 B12R1.28 CCCNCc1cncc(c1)Br 270004a_100020643023_100000687066 [0,1,1,0,0,0|0,0,0]=2 2865 B12R1.28 CCCNCc1cncc(c1)C 207a_100020643023_100011998712 [0,1,1,0,0,0|0,0,0]=2 2866 B12R1.28 CCCNCc1cncc(c1)C 2230a_100000692839_100000210303 [0,1,1,0,0,0|0,0,0]=2 2867 B12R1.28 CCCNCc1cncc(c1)C 270004a_100020643023_100011998712 [0,1,1,0,0,0|0,0,0]=2 2868 B12R1.28 CCCNCc1cncc(c1)C 34a_100000692839_100000210303 [0,1,1,0,0,0|0,0,0]=2 2869 B12R1.28 CCCNCc1cncc(c1)Cl 207a_100020643023_100000088910 [0,1,1,0,0,0|0,0,0]=2 2870 B12R1.28 CCCNCc1cncc(c1)Cl 2230a_200020614424_100000210303 [0,1,1,0,0,0|0,0,0]=2 2871 B12R1.28 CCCNCc1cncc(c1)Cl 270004a_100020643023_100000088910 [0,1,1,0,0,0|0,0,0]=2 2872 B12R1.28 CCCNCc1cncc(c1)F 207a_100020643023_100011361476 [0,1,1,0,0,0|0,0,0]=2 2873 B12R1.28 CCCNCc1cncc(c1)F 2230a_100011962886_100000210303 [0,1,1,0,0,0|0,0,0]=2 2874 B12R1.28 CCCNCc1cncc(c1)F 270004a_100020643023_100011361476 [0,1,1,0,0,0|0,0,0]=2 2875 B12R1.28 CCCNCc1cncc(c1)F 34a_100011962886_100000210303 [0,1,1,0,0,0|0,0,0]=2 2876 B12R1.28 CCCNCc1cncc(c1)O 207a_100020643023_100012187055 [0,1,1,0,0,0|0,0,0]=2 2877 B12R1.28 CCCNCc1cncc(c1)O 270004a_100020643023_100012187055 [0,1,1,0,0,0|0,0,0]=2 2878 B12R1.28 CCCNCc1cncc(n1)C 207a_100020643023_100000100294 [0,1,1,0,0,0|1,0,0]=3 2879 B12R1.28 CCCNCc1cncc(n1)C 270004a_100020643023_100000100294 [0,1,1,0,0,0|1,0,0]=3 2880 B12R1.28 CCCOCc1cc(cnn1)C 34a_100016212594_100000210303 [0,1,1,0,0,0|2,0,0]=4 2881 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 34a_100000037817_100000210303 [0,1,1,0,0,0|1,0,1]=4 2882 B12R1.28 CCCOCc1ccc[n+](c1)[O-] 7a_100000037817_100000210303 [0,1,1,0,0,0|1,0,1]=4 2883 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000210258_100000698116 [0,1,1,0,0,0|2,0,0]=4 2884 B12R1.28 CCCOCc1cccc(c1)Br 34a_100000687537_100000210303 [0,1,1,0,0,0|2,0,0]=4 2885 B12R1.28 CCCOCc1cccc(c1)Br 7a_100000687537_100000210303 [0,1,1,0,0,0|2,0,0]=4 2886 B12R1.28 CCCOCc1cccc(c1)C 34a_100000210258_100000211840 [0,1,1,0,0,0|2,0,0]=4 2887 B12R1.28 CCCOCc1cccc(c1)C 34a_100011217746_100000210303 [0,1,1,0,0,0|2,0,0]=4 2888 B12R1.28 CCCOCc1cccc(c1)C 7a_100011217746_100000210303 [0,1,1,0,0,0|2,0,0]=4 2889 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000210258_100000187163 [0,1,1,0,0,0|2,0,0]=4 2890 B12R1.28 CCCOCc1cccc(c1)Cl 34a_100000241301_100000210303 [0,1,1,0,0,0|2,0,0]=4 2891 B12R1.28 CCCOCc1cccc(c1)Cl 7a_100000241301_100000210303 [0,1,1,0,0,0|2,0,0]=4 2892 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210258_100000187166 [0,1,1,0,0,0|2,0,0]=4 2893 B12R1.28 CCCOCc1cccc(c1)F 34a_100000210976_100000210303 [0,1,1,0,0,0|2,0,0]=4 2894 B12R1.28 CCCOCc1cccc(c1)F 7a_100000210976_100000210303 [0,1,1,0,0,0|2,0,0]=4 2895 B12R1.28 CCCOCc1cccc(c1)I 34a_100000210258_100011218688 [0,1,1,0,0,0|2,0,0]=4 2896 B12R1.28 CCCOCc1cccc(c1)I 34a_100011215336_100000210303 [0,1,1,0,0,0|2,0,0]=4 2897 B12R1.28 CCCOCc1cccc(c1)I 7a_100011215336_100000210303 [0,1,1,0,0,0|2,0,0]=4 2898 B12R1.28 CCCOCc1cccc(c1)N 34a_100000211919_100000210303 [0,1,1,0,0,0|2,0,0]=4 2899 B12R1.28 CCCOCc1cccc(c1)O 34a_100000210258_100011660834 [0,1,1,0,0,0|2,0,0]=4 2900 B12R1.28 CCCOCc1cncc(c1)Br 34a_100000210258_100000738771 [0,1,1,0,0,0|1,0,0]=3 2901 B12R1.28 CCCOCc1cncc(c1)Br 34a_100011259137_100000210303 [0,1,1,0,0,0|1,0,0]=3 2902 B12R1.28 CCCOCc1cncc(c1)Br 7a_100011259137_100000210303 [0,1,1,0,0,0|1,0,0]=3 2903 B12R1.28 CCCOCc1cncc(c1)C 34a_100000210258_100000716715 [0,1,1,0,0,0|1,0,0]=3 2904 B12R1.28 CCCOCc1cncc(c1)C 34a_100011998709_100000210303 [0,1,1,0,0,0|1,0,0]=3 2905 B12R1.28 CCCOCc1cncc(c1)C 7a_100011998709_100000210303 [0,1,1,0,0,0|1,0,0]=3 2906 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000092867_100000210303 [0,1,1,0,0,0|1,0,0]=3 2907 B12R1.28 CCCOCc1cncc(c1)Cl 34a_100000210258_100016992070 [0,1,1,0,0,0|1,0,0]=3 2908 B12R1.28 CCCOCc1cncc(c1)Cl 7a_100000092867_100000210303 [0,1,1,0,0,0|1,0,0]=3 2909 B12R1.28 CCCOCc1cncc(c1)F 34a_100000210258_100000725299 [0,1,1,0,0,0|1,0,0]=3 2910 B12R1.28 CCCOCc1cncc(c1)F 34a_100011962875_100000210303 [0,1,1,0,0,0|1,0,0]=3 2911 B12R1.28 CCCOCc1cncc(c1)F 7a_100011962875_100000210303 [0,1,1,0,0,0|1,0,0]=3 2912 B12R1.28 CCCOCc1cncc(c1)N 34a_100000085308_100000210303 [0,1,1,0,0,0|1,0,0]=3 2913 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000210303_100000211773 [0,1,1,0,0,0|2,0,0]=4 2914 B12R1.28 CCCSCc1cccc(c1)Br 62a_100000211773_100000210303 [0,1,1,0,0,0|2,0,0]=4 2915 B12R1.28 CCCSCc1cccc(c1)C 62a_100000210303_100000211840 [0,1,1,0,0,0|2,0,0]=4 2916 B12R1.28 CCCSCc1cccc(c1)C 62a_100000211840_100000210303 [0,1,1,0,0,0|2,0,0]=4 2917 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000187163_100000210303 [0,1,1,0,0,0|2,0,0]=4 2918 B12R1.28 CCCSCc1cccc(c1)Cl 62a_100000210303_100000187163 [0,1,1,0,0,0|2,0,0]=4 2919 B12R1.28 CCCSCc1cccc(c1)F 62a_100000210303_100000230114 [0,1,1,0,0,0|2,0,0]=4 2920 B12R1.28 CCCSCc1cccc(c1)F 62a_100000230114_100000210303 [0,1,1,0,0,0|2,0,0]=4 2921 B12R1.28 CCCSCc1cccc(c1)I 62a_100000210303_100011218688 [0,1,1,0,0,0|2,0,0]=4 2922 B12R1.28 CCCSCc1cccc(c1)I 62a_100011218688_100000210303 [0,1,1,0,0,0|2,0,0]=4 2923 B12R1.28 CCCSCc1cccc(c1)O 62a_100000210303_100011660834 [0,1,1,0,0,0|2,0,0]=4 2924 B12R1.28 CCCSCc1cccc(c1)O 62a_100011660834_100000210303 [0,1,1,0,0,0|2,0,0]=4 2925 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000210303_100000738771 [0,1,1,0,0,0|1,0,0]=3 2926 B12R1.28 CCCSCc1cncc(c1)Br 62a_100000738771_100000210303 [0,1,1,0,0,0|1,0,0]=3 2927 B12R1.28 CCCSCc1cncc(c1)C 62a_100000210303_100000716715 [0,1,1,0,0,0|1,0,0]=3 2928 B12R1.28 CCCSCc1cncc(c1)C 62a_100000716715_100000210303 [0,1,1,0,0,0|1,0,0]=3 2929 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100000210303_100016992070 [0,1,1,0,0,0|1,0,0]=3 2930 B12R1.28 CCCSCc1cncc(c1)Cl 62a_100016992070_100000210303 [0,1,1,0,0,0|1,0,0]=3 2931 B12R1.28 CCCSCc1cncc(c1)F 62a_100000210303_100000725299 [0,1,1,0,0,0|1,0,0]=3 2932 B12R1.28 CCCSCc1cncc(c1)F 62a_100000725299_100000210303 [0,1,1,0,0,0|1,0,0]=3 2933 B12R1.28 COCNCc1cccc(c1)Br 2230a_100000174977_100000766300 [0,1,1,0,0,0|2,0,0]=4 2934 B12R1.28 COCNCc1cccc(c1)C 2230a_100000185548_100000766300 [0,1,1,0,0,0|2,0,0]=4 2935 B12R1.28 COCNCc1cccc(c1)Cl 2230a_100000174878_100000766300 [0,1,1,0,0,0|2,0,0]=4 2936 B12R1.28 COCNCc1cccc(c1)F 2230a_100000174948_100000766300 [0,1,1,0,0,0|2,0,0]=4 2937 B12R1.28 COCNCc1cccc(c1)I 2230a_100000106179_100000766300 [0,1,1,0,0,0|2,0,0]=4 2938 B12R1.28 COCNCc1cccc(c1)O 2230a_100000743036_100000766300 [0,1,1,0,0,0|2,0,0]=4 2939 B12R1.28 COCNCc1cncc(c1)C 2230a_100000692839_100000766300 [0,1,1,0,0,0|1,0,0]=3 2940 B12R1.28 COCNCc1cncc(c1)Cl 2230a_200020614424_100000766300 [0,1,1,0,0,0|1,0,0]=3 2941 B12R1.28 COCNCc1cncc(c1)F 2230a_100011962886_100000766300 [0,1,1,0,0,0|1,0,0]=3 2942 B12R1.28 COCSCc1cncc(c1)Br 62a_100000738771_100000766300 [0,1,1,0,0,0|2,0,0]=4 2943 B12R1.28 COCSCc1cncc(c1)Br 62a_100000766300_100000738771 [0,1,1,0,0,0|2,0,0]=4 2944 B12R1.28 COCSCc1cncc(c1)C 62a_100000716715_100000766300 [0,1,1,0,0,0|2,0,0]=4 2945 B12R1.28 COCSCc1cncc(c1)C 62a_100000766300_100000716715 [0,1,1,0,0,0|2,0,0]=4 2946 B12R1.28 COCSCc1cncc(c1)Cl 62a_100000766300_100016992070 [0,1,1,0,0,0|2,0,0]=4 2947 B12R1.28 COCSCc1cncc(c1)Cl 62a_100016992070_100000766300 [0,1,1,0,0,0|2,0,0]=4 2948 B12R1.28 COCSCc1cncc(c1)F 62a_100000725299_100000766300 [0,1,1,0,0,0|2,0,0]=4 2949 B12R1.28 COCSCc1cncc(c1)F 62a_100000766300_100000725299 [0,1,1,0,0,0|2,0,0]=4 2950 B12R1.28 CSCNCc1cccc(c1)Br 2230a_100000174977_100011218213 [0,1,1,0,0,0|2,0,0]=4 2951 B12R1.28 CSCNCc1cccc(c1)Br 34a_100000174977_100011218213 [0,1,1,0,0,0|2,0,0]=4 2952 B12R1.28 CSCNCc1cccc(c1)C 2230a_100000185548_100011218213 [0,1,1,0,0,0|2,0,0]=4 2953 B12R1.28 CSCNCc1cccc(c1)C 34a_100000185548_100011218213 [0,1,1,0,0,0|2,0,0]=4 2954 B12R1.28 CSCNCc1cccc(c1)Cl 2230a_100000174878_100011218213 [0,1,1,0,0,0|2,0,0]=4 2955 B12R1.28 CSCNCc1cccc(c1)Cl 34a_100000174878_100011218213 [0,1,1,0,0,0|2,0,0]=4 2956 B12R1.28 CSCNCc1cccc(c1)F 2230a_100000174948_100011218213 [0,1,1,0,0,0|2,0,0]=4 2957 B12R1.28 CSCNCc1cccc(c1)F 34a_100000174948_100011218213 [0,1,1,0,0,0|2,0,0]=4 2958 B12R1.28 CSCNCc1cccc(c1)I 2230a_100000106179_100011218213 [0,1,1,0,0,0|2,0,0]=4 2959 B12R1.28 CSCNCc1cccc(c1)I 34a_100000106179_100011218213 [0,1,1,0,0,0|2,0,0]=4 2960 B12R1.28 CSCNCc1cccc(c1)O 2230a_100000743036_100011218213 [0,1,1,0,0,0|2,0,0]=4 2961 B12R1.28 CSCNCc1cccc(c1)O 34a_100000743036_100011218213 [0,1,1,0,0,0|2,0,0]=4 2962 B12R1.28 CSCNCc1cncc(c1)C 2230a_100000692839_100011218213 [0,1,1,0,0,0|1,0,0]=3 2963 B12R1.28 CSCNCc1cncc(c1)C 34a_100000692839_100011218213 [0,1,1,0,0,0|1,0,0]=3 2964 B12R1.28 CSCNCc1cncc(c1)Cl 2230a_200020614424_100011218213 [0,1,1,0,0,0|1,0,0]=3 2965 B12R1.28 CSCNCc1cncc(c1)F 2230a_100011962886_100011218213 [0,1,1,0,0,0|1,0,0]=3 2966 B12R1.28 CSCNCc1cncc(c1)F 34a_100011962886_100011218213 [0,1,1,0,0,0|1,0,0]=3 2967 B12R1.28 CSCOCc1cncc(c1)Br 34a_100011259137_100011218213 [0,1,1,0,0,0|2,0,0]=4 2968 B12R1.28 CSCOCc1cncc(c1)C 34a_100011998709_100011218213 [0,1,1,0,0,0|2,0,0]=4 2969 B12R1.28 CSCOCc1cncc(c1)Cl 34a_100000092867_100011218213 [0,1,1,0,0,0|2,0,0]=4 2970 B12R1.28 CSCOCc1cncc(c1)F 34a_100011962875_100011218213 [0,1,1,0,0,0|2,0,0]=4 2971 B12R1.28 CSCOCc1cncc(c1)N 34a_100000085308_100011218213 [0,1,1,0,0,0|2,0,0]=4 2972 B12R1.28 CSCSCc1cncc(c1)Br 62a_100000738771_100011218213 [0,1,1,0,0,0|2,0,0]=4 2973 B12R1.28 CSCSCc1cncc(c1)Br 62a_100011218213_100000738771 [0,1,1,0,0,0|2,0,0]=4 2974 B12R1.28 CSCSCc1cncc(c1)C 62a_100000716715_100011218213 [0,1,1,0,0,0|2,0,0]=4 2975 B12R1.28 CSCSCc1cncc(c1)C 62a_100011218213_100000716715 [0,1,1,0,0,0|2,0,0]=4 2976 B12R1.28 CSCSCc1cncc(c1)Cl 62a_100011218213_100016992070 [0,1,1,0,0,0|2,0,0]=4 2977 B12R1.28 CSCSCc1cncc(c1)Cl 62a_100016992070_100011218213 [0,1,1,0,0,0|2,0,0]=4 2978 B12R1.28 CSCSCc1cncc(c1)F 62a_100000725299_100011218213 [0,1,1,0,0,0|2,0,0]=4 2979 B12R1.28 CSCSCc1cncc(c1)F 62a_100011218213_100000725299 [0,1,1,0,0,0|2,0,0]=4 2980 B12R1.28 Cc1cccc(c1)CNCCF 2230a_100000185548_100011217306 [0,1,1,0,0,0|2,0,0]=4 2981 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000185548_100011217306 [0,1,1,0,0,0|2,0,0]=4 2982 B12R1.28 Cc1cccc(c1)CNCCF 34a_100000724931_100000211840 [0,1,1,0,0,0|2,0,0]=4 2983 B12R1.28 Cc1cccc(c1)CNCCO 207a_100000210304_100000211157 [0,1,1,0,0,0|2,0,0]=4 2984 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100000185548_100000211926 [0,1,1,0,0,0|2,0,0]=4 2985 B12R1.28 Cc1cccc(c1)CNCCO 2230a_100016997473_100000211840 [0,1,1,0,0,0|2,0,0]=4 2986 B12R1.28 Cc1cccc(c1)CNCCO 270004a_100000210304_100000211157 [0,1,1,0,0,0|2,0,0]=4 2987 B12R1.28 Cc1cccc(c1)CNCCO 34a_100000185548_100000211926 [0,1,1,0,0,0|2,0,0]=4 2988 B12R1.28 Cc1cccc(c1)CNCCO 34a_100016990907_100000211840 [0,1,1,0,0,0|2,0,0]=4 2989 B12R1.28 Cc1cccc(c1)COCCN 34a_100000210304_100000211840 [0,1,1,0,0,0|2,0,0]=4 2990 B12R1.28 Cc1cncc(c1)CNCC#N 2230a_100000692839_100011215382 [0,1,1,0,0,0|1,0,1]=4 2991 B12R1.28 Cc1cncc(c1)CNCC=O 2230a_100000692839_200015260668 [0,1,1,0,0,0|1,0,1]=4 2992 B12R1.28 Cc1cncc(c1)CNCC=O 34a_100000692839_200009817547 [0,1,1,0,0,0|1,0,1]=4 2993 B12R1.28 Cc1cncc(c1)CNCCF 2230a_100000692839_100011217306 [0,1,1,0,0,0|1,0,0]=3 2994 B12R1.28 Cc1cncc(c1)CNCCF 34a_100000692839_100011217306 [0,1,1,0,0,0|1,0,0]=3 2995 B12R1.28 Cc1cncc(c1)CNCCF 34a_100000724931_100000716715 [0,1,1,0,0,0|1,0,0]=3 2996 B12R1.28 Cc1cncc(c1)CNCCO 207a_100000210304_100011998712 [0,1,1,0,0,0|1,0,0]=3 2997 B12R1.28 Cc1cncc(c1)CNCCO 2230a_100000692839_100000211926 [0,1,1,0,0,0|1,0,0]=3 2998 B12R1.28 Cc1cncc(c1)CNCCO 2230a_100016997473_100000716715 [0,1,1,0,0,0|1,0,0]=3 2999 B12R1.28 Cc1cncc(c1)CNCCO 270004a_100000210304_100011998712 [0,1,1,0,0,0|1,0,0]=3 3000 B12R1.28 Cc1cncc(c1)CNCCO 34a_100000692839_100000211926 [0,1,1,0,0,0|1,0,0]=3 3001 B12R1.28 Cc1cncc(c1)CNCCO 34a_100016990907_100000716715 [0,1,1,0,0,0|1,0,0]=3 3002 B12R1.28 Cc1cncc(c1)COCCBr 34a_100000211926_100000716715 [0,1,1,0,0,0|2,0,0]=4 3003 B12R1.28 Cc1cncc(c1)COCCF 34a_100011998709_100011217306 [0,1,1,0,0,0|2,0,0]=4 3004 B12R1.28 Cc1cncc(c1)COCCF 7a_100011998709_100011217306 [0,1,1,0,0,0|2,0,0]=4 3005 B12R1.28 Cc1cncc(c1)COCCN 34a_100000210304_100000716715 [0,1,1,0,0,0|1,0,0]=3 3006 B12R1.28 Cc1cncc(c1)COCCO 34a_100011998709_100000211926 [0,1,1,0,0,0|2,0,0]=4 3007 B12R1.28 Cc1cncc(c1)COCCO 7a_100011998709_100000211926 [0,1,1,0,0,0|2,0,0]=4 3008 B12R1.28 Cc1cncc(c1)CSCCF 62a_100000716715_100011217306 [0,1,1,0,0,0|2,0,0]=4 3009 B12R1.28 Cc1cncc(c1)CSCCF 62a_100011217306_100000716715 [0,1,1,0,0,0|2,0,0]=4 3010 B12R1.28 Cc1cncc(c1)CSCCO 62a_100000211926_100000716715 [0,1,1,0,0,0|2,0,0]=4 3011 B12R1.28 Cc1cncc(c1)CSCCO 62a_100000716715_100000211926 [0,1,1,0,0,0|2,0,0]=4 3012 B12R1.28 Cc1cncc(c1)OCCCF 34a_100011830280_100011934791 [0,1,1,0,0,0|2,0,0]=4 3013 B12R1.28 Cc1cncc(c1)OCCCF 7a_100011830280_100011934791 [0,1,1,0,0,0|2,0,0]=4 3014 B12R1.28 Cc1cncc(c1)OCCCO 34a_100011830280_100000230001 [0,1,1,0,0,0|2,0,0]=4 3015 B12R1.28 Cc1cncc(c1)OCCCO 7a_100011830280_100011215043 [0,1,1,0,0,0|2,0,0]=4 3016 B12R1.28 Cc1cncc(c1)SCCCF 62a_100000760492_100011934791 [0,1,1,0,0,0|2,0,0]=4 3017 B12R1.28 Cc1cncc(c1)SCCCF 62a_100011934791_100000760492 [0,1,1,0,0,0|2,0,0]=4 3018 B12R1.28 Cc1cncc(c1)SCCCO 62a_100000760492_100011215043 [0,1,1,0,0,0|2,0,0]=4 3019 B12R1.28 Cc1cncc(c1)SCCCO 62a_100011215043_100000760492 [0,1,1,0,0,0|2,0,0]=4 3020 B12R1.28 Cc1cncc(n1)CNCCO 207a_100000210304_100000100294 [0,1,1,0,0,0|2,0,0]=4 3021 B12R1.28 Cc1cncc(n1)CNCCO 270004a_100000210304_100000100294 [0,1,1,0,0,0|2,0,0]=4 3022 B12R1.28 Clc1cncc(c1)COCCBr 34a_100000211926_100016992070 [0,1,1,0,0,0|2,0,0]=4 3023 B12R1.28 FCCCOc1cncc(c1)Br 34a_100000754920_100011934791 [0,1,1,0,0,0|2,0,0]=4 3024 B12R1.28 FCCCOc1cncc(c1)Br 7a_100000754920_100011934791 [0,1,1,0,0,0|2,0,0]=4 3025 B12R1.28 FCCCOc1cncc(c1)Cl 7a_100000032511_100011934791 [0,1,1,0,0,0|2,0,0]=4 3026 B12R1.28 FCCCOc1cncc(c1)F 34a_100011830296_100011934791 [0,1,1,0,0,0|2,0,0]=4 3027 B12R1.28 FCCCOc1cncc(c1)F 7a_100011830296_100011934791 [0,1,1,0,0,0|2,0,0]=4 3028 B12R1.28 FCCCSc1cncc(c1)Br 62a_100000728054_100011934791 [0,1,1,0,0,0|2,0,0]=4 3029 B12R1.28 FCCCSc1cncc(c1)Br 62a_100011934791_100000728054 [0,1,1,0,0,0|2,0,0]=4 3030 B12R1.28 FCCCSc1cncc(c1)Cl 62a_100000049639_100011934791 [0,1,1,0,0,0|2,0,0]=4 3031 B12R1.28 FCCCSc1cncc(c1)Cl 62a_100011934791_100000049639 [0,1,1,0,0,0|2,0,0]=4 3032 B12R1.28 FCCCSc1cncc(c1)F 62a_100000744099_100011934791 [0,1,1,0,0,0|2,0,0]=4 3033 B12R1.28 FCCCSc1cncc(c1)F 62a_100011934791_100000744099 [0,1,1,0,0,0|2,0,0]=4 3034 B12R1.28 FCCNCc1cccc(c1)Br 2230a_100000174977_100011217306 [0,1,1,0,0,0|2,0,0]=4 3035 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000174977_100011217306 [0,1,1,0,0,0|2,0,0]=4 3036 B12R1.28 FCCNCc1cccc(c1)Br 34a_100000724931_100000698116 [0,1,1,0,0,0|2,0,0]=4 3037 B12R1.28 FCCNCc1cccc(c1)Cl 2230a_100000174878_100011217306 [0,1,1,0,0,0|2,0,0]=4 3038 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000174878_100011217306 [0,1,1,0,0,0|2,0,0]=4 3039 B12R1.28 FCCNCc1cccc(c1)Cl 34a_100000724931_100000187163 [0,1,1,0,0,0|2,0,0]=4 3040 B12R1.28 FCCNCc1cccc(c1)F 2230a_100000174948_100011217306 [0,1,1,0,0,0|2,0,0]=4 3041 B12R1.28 FCCNCc1cccc(c1)F 34a_100000174948_100011217306 [0,1,1,0,0,0|2,0,0]=4 3042 B12R1.28 FCCNCc1cccc(c1)F 34a_100000724931_100000187166 [0,1,1,0,0,0|2,0,0]=4 3043 B12R1.28 FCCNCc1cccc(c1)I 2230a_100000106179_100011217306 [0,1,1,0,0,0|2,0,0]=4 3044 B12R1.28 FCCNCc1cccc(c1)I 34a_100000106179_100011217306 [0,1,1,0,0,0|2,0,0]=4 3045 B12R1.28 FCCNCc1cccc(c1)I 34a_100000724931_100011218688 [0,1,1,0,0,0|2,0,0]=4 3046 B12R1.28 FCCNCc1cncc(c1)Br 34a_100000724931_100000738771 [0,1,1,0,0,0|1,0,0]=3 3047 B12R1.28 FCCNCc1cncc(c1)Cl 2230a_200020614424_100011217306 [0,1,1,0,0,0|1,0,0]=3 3048 B12R1.28 FCCNCc1cncc(c1)Cl 34a_100000724931_100016992070 [0,1,1,0,0,0|1,0,0]=3 3049 B12R1.28 FCCNCc1cncc(c1)F 2230a_100011962886_100011217306 [0,1,1,0,0,0|1,0,0]=3 3050 B12R1.28 FCCNCc1cncc(c1)F 34a_100000724931_100000725299 [0,1,1,0,0,0|1,0,0]=3 3051 B12R1.28 FCCNCc1cncc(c1)F 34a_100011962886_100011217306 [0,1,1,0,0,0|1,0,0]=3 3052 B12R1.28 FCCOCc1cncc(c1)Br 34a_100011259137_100011217306 [0,1,1,0,0,0|2,0,0]=4 3053 B12R1.28 FCCOCc1cncc(c1)Br 7a_100011259137_100011217306 [0,1,1,0,0,0|2,0,0]=4 3054 B12R1.28 FCCOCc1cncc(c1)Cl 34a_100000092867_100011217306 [0,1,1,0,0,0|2,0,0]=4 3055 B12R1.28 FCCOCc1cncc(c1)Cl 7a_100000092867_100011217306 [0,1,1,0,0,0|2,0,0]=4 3056 B12R1.28 FCCOCc1cncc(c1)F 34a_100011962875_100011217306 [0,1,1,0,0,0|2,0,0]=4 3057 B12R1.28 FCCOCc1cncc(c1)F 7a_100011962875_100011217306 [0,1,1,0,0,0|2,0,0]=4 3058 B12R1.28 FCCSCc1cncc(c1)Br 62a_100000738771_100011217306 [0,1,1,0,0,0|2,0,0]=4 3059 B12R1.28 FCCSCc1cncc(c1)Br 62a_100011217306_100000738771 [0,1,1,0,0,0|2,0,0]=4 3060 B12R1.28 FCCSCc1cncc(c1)Cl 62a_100011217306_100016992070 [0,1,1,0,0,0|2,0,0]=4 3061 B12R1.28 FCCSCc1cncc(c1)Cl 62a_100016992070_100011217306 [0,1,1,0,0,0|2,0,0]=4 3062 B12R1.28 FCCSCc1cncc(c1)F 62a_100000725299_100011217306 [0,1,1,0,0,0|2,0,0]=4 3063 B12R1.28 FCCSCc1cncc(c1)F 62a_100011217306_100000725299 [0,1,1,0,0,0|2,0,0]=4 3064 B12R1.28 Fc1cncc(c1)COCCBr 34a_100000211926_100000725299 [0,1,1,0,0,0|2,0,0]=4 3065 B12R1.28 N#CCNCc1cncc(c1)Cl 2230a_200020614424_100011215382 [0,1,1,0,0,0|1,0,1]=4 3066 B12R1.28 N#CCNCc1cncc(c1)F 2230a_100011962886_100011215382 [0,1,1,0,0,0|1,0,1]=4 3067 B12R1.28 NCCOCc1cccc(c1)Br 34a_100000210304_100000698116 [0,1,1,0,0,0|2,0,0]=4 3068 B12R1.28 NCCOCc1cccc(c1)Cl 34a_100000210304_100000187163 [0,1,1,0,0,0|2,0,0]=4 3069 B12R1.28 NCCOCc1cccc(c1)F 34a_100000210304_100000187166 [0,1,1,0,0,0|2,0,0]=4 3070 B12R1.28 NCCOCc1cccc(c1)I 34a_100000210304_100011218688 [0,1,1,0,0,0|2,0,0]=4 3071 B12R1.28 NCCOCc1cccc(c1)O 34a_100000210304_100011660834 [0,1,1,0,0,0|2,0,0]=4 3072 B12R1.28 NCCOCc1cncc(c1)Br 34a_100000210304_100000738771 [0,1,1,0,0,0|1,0,0]=3 3073 B12R1.28 NCCOCc1cncc(c1)Cl 34a_100000210304_100016992070 [0,1,1,0,0,0|1,0,0]=3 3074 B12R1.28 NCCOCc1cncc(c1)F 34a_100000210304_100000725299 [0,1,1,0,0,0|1,0,0]=3 3075 B12R1.28 Nc1cncc(c1)COCCF 34a_100000085308_100011217306 [0,1,1,0,0,0|2,0,0]=4 3076 B12R1.28 Nc1cncc(c1)COCCO 34a_100000085308_100000211926 [0,1,1,0,0,0|2,0,0]=4 3077 B12R1.28 Nc1cncc(c1)OCCCF 34a_100011997051_100011934791 [0,1,1,0,0,0|2,0,0]=4 3078 B12R1.28 Nc1cncc(c1)OCCCO 34a_100011997051_100000230001 [0,1,1,0,0,0|2,0,0]=4 3079 B12R1.28 Nc1cncc(c1)SCCCF 62a_100000687067_100011934791 [0,1,1,0,0,0|2,0,0]=4 3080 B12R1.28 Nc1cncc(c1)SCCCF 62a_100011934791_100000687067 [0,1,1,0,0,0|2,0,0]=4 3081 B12R1.28 Nc1cncc(c1)SCCCO 62a_100000687067_100011215043 [0,1,1,0,0,0|2,0,0]=4 3082 B12R1.28 Nc1cncc(c1)SCCCO 62a_100011215043_100000687067 [0,1,1,0,0,0|2,0,0]=4 3083 B12R1.28 O=CCNCc1cncc(c1)Cl 2230a_200020614424_200015260668 [0,1,1,0,0,0|1,0,1]=4 3084 B12R1.28 O=CCNCc1cncc(c1)F 2230a_100011962886_200015260668 [0,1,1,0,0,0|1,0,1]=4 3085 B12R1.28 O=CCNCc1cncc(c1)F 34a_100011962886_200009817547 [0,1,1,0,0,0|1,0,1]=4 3086 B12R1.28 OCCCOc1cncc(c1)Br 34a_100000754920_100000230001 [0,1,1,0,0,0|2,0,0]=4 3087 B12R1.28 OCCCOc1cncc(c1)Br 7a_100000754920_100011215043 [0,1,1,0,0,0|2,0,0]=4 3088 B12R1.28 OCCCOc1cncc(c1)Cl 7a_100000032511_100011215043 [0,1,1,0,0,0|2,0,0]=4 3089 B12R1.28 OCCCOc1cncc(c1)F 34a_100011830296_100000230001 [0,1,1,0,0,0|2,0,0]=4 3090 B12R1.28 OCCCOc1cncc(c1)F 7a_100011830296_100011215043 [0,1,1,0,0,0|2,0,0]=4 3091 B12R1.28 OCCCSc1cncc(c1)Br 62a_100000728054_100011215043 [0,1,1,0,0,0|2,0,0]=4 3092 B12R1.28 OCCCSc1cncc(c1)Br 62a_100011215043_100000728054 [0,1,1,0,0,0|2,0,0]=4 3093 B12R1.28 OCCCSc1cncc(c1)Cl 62a_100000049639_100011215043 [0,1,1,0,0,0|2,0,0]=4 3094 B12R1.28 OCCCSc1cncc(c1)Cl 62a_100011215043_100000049639 [0,1,1,0,0,0|2,0,0]=4 3095 B12R1.28 OCCCSc1cncc(c1)F 62a_100000744099_100011215043 [0,1,1,0,0,0|2,0,0]=4 3096 B12R1.28 OCCCSc1cncc(c1)F 62a_100011215043_100000744099 [0,1,1,0,0,0|2,0,0]=4 3097 B12R1.28 OCCCSc1cncc(c1)O 62a_100000754920_100011215043 [0,1,1,0,0,0|2,0,0]=4 3098 B12R1.28 OCCCSc1cncc(c1)O 62a_100011215043_100000754920 [0,1,1,0,0,0|2,0,0]=4 3099 B12R1.28 OCCNCc1cccc(c1)Br 207a_100000210304_100000210085 [0,1,1,0,0,0|2,0,0]=4 3100 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100000174977_100000211926 [0,1,1,0,0,0|2,0,0]=4 3101 B12R1.28 OCCNCc1cccc(c1)Br 2230a_100016997473_100000698116 [0,1,1,0,0,0|2,0,0]=4 3102 B12R1.28 OCCNCc1cccc(c1)Br 270004a_100000210304_100000210085 [0,1,1,0,0,0|2,0,0]=4 3103 B12R1.28 OCCNCc1cccc(c1)Br 34a_100000174977_100000211926 [0,1,1,0,0,0|2,0,0]=4 3104 B12R1.28 OCCNCc1cccc(c1)Br 34a_100016990907_100000698116 [0,1,1,0,0,0|2,0,0]=4 3105 B12R1.28 OCCNCc1cccc(c1)Cl 207a_100000210304_100000210801 [0,1,1,0,0,0|2,0,0]=4 3106 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100000174878_100000211926 [0,1,1,0,0,0|2,0,0]=4 3107 B12R1.28 OCCNCc1cccc(c1)Cl 2230a_100016997473_100000181238 [0,1,1,0,0,0|2,0,0]=4 3108 B12R1.28 OCCNCc1cccc(c1)Cl 270004a_100000210304_100000210801 [0,1,1,0,0,0|2,0,0]=4 3109 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100000174878_100000211926 [0,1,1,0,0,0|2,0,0]=4 3110 B12R1.28 OCCNCc1cccc(c1)Cl 34a_100016990907_100000187163 [0,1,1,0,0,0|2,0,0]=4 3111 B12R1.28 OCCNCc1cccc(c1)F 207a_100000210304_100000210812 [0,1,1,0,0,0|2,0,0]=4 3112 B12R1.28 OCCNCc1cccc(c1)F 2230a_100000174948_100000211926 [0,1,1,0,0,0|2,0,0]=4 3113 B12R1.28 OCCNCc1cccc(c1)F 2230a_100016997473_100000230114 [0,1,1,0,0,0|2,0,0]=4 3114 B12R1.28 OCCNCc1cccc(c1)F 270004a_100000210304_100000210812 [0,1,1,0,0,0|2,0,0]=4 3115 B12R1.28 OCCNCc1cccc(c1)F 34a_100000174948_100000211926 [0,1,1,0,0,0|2,0,0]=4 3116 B12R1.28 OCCNCc1cccc(c1)F 34a_100016990907_100000187166 [0,1,1,0,0,0|2,0,0]=4 3117 B12R1.28 OCCNCc1cccc(c1)I 207a_100000210304_100000014684 [0,1,1,0,0,0|2,0,0]=4 3118 B12R1.28 OCCNCc1cccc(c1)I 2230a_100000106179_100000211926 [0,1,1,0,0,0|2,0,0]=4 3119 B12R1.28 OCCNCc1cccc(c1)I 2230a_100016997473_100011218688 [0,1,1,0,0,0|2,0,0]=4 3120 B12R1.28 OCCNCc1cccc(c1)I 270004a_100000210304_100000014684 [0,1,1,0,0,0|2,0,0]=4 3121 B12R1.28 OCCNCc1cccc(c1)I 34a_100000106179_100000211926 [0,1,1,0,0,0|2,0,0]=4 3122 B12R1.28 OCCNCc1cccc(c1)I 34a_100016990907_100011218688 [0,1,1,0,0,0|2,0,0]=4 3123 B12R1.28 OCCNCc1cccc(c1)O 207a_100000210304_100000188321 [0,1,1,0,0,0|2,0,0]=4 3124 B12R1.28 OCCNCc1cccc(c1)O 2230a_100000743036_100000211926 [0,1,1,0,0,0|2,0,0]=4 3125 B12R1.28 OCCNCc1cccc(c1)O 2230a_100016997473_100011660834 [0,1,1,0,0,0|2,0,0]=4 3126 B12R1.28 OCCNCc1cccc(c1)O 270004a_100000210304_100000188321 [0,1,1,0,0,0|2,0,0]=4 3127 B12R1.28 OCCNCc1cccc(c1)O 34a_100000743036_100000211926 [0,1,1,0,0,0|2,0,0]=4 3128 B12R1.28 OCCNCc1cccc(c1)O 34a_100016990907_100011660834 [0,1,1,0,0,0|2,0,0]=4 3129 B12R1.28 OCCNCc1cncc(c1)Br 207a_100000210304_100000687066 [0,1,1,0,0,0|1,0,0]=3 3130 B12R1.28 OCCNCc1cncc(c1)Br 2230a_100016997473_100000738771 [0,1,1,0,0,0|1,0,0]=3 3131 B12R1.28 OCCNCc1cncc(c1)Br 270004a_100000210304_100000687066 [0,1,1,0,0,0|1,0,0]=3 3132 B12R1.28 OCCNCc1cncc(c1)Br 34a_100016990907_100000738771 [0,1,1,0,0,0|1,0,0]=3 3133 B12R1.28 OCCNCc1cncc(c1)Cl 207a_100000210304_100000088910 [0,1,1,0,0,0|1,0,0]=3 3134 B12R1.28 OCCNCc1cncc(c1)Cl 2230a_100016997473_100016992070 [0,1,1,0,0,0|1,0,0]=3 3135 B12R1.28 OCCNCc1cncc(c1)Cl 2230a_200020614424_100000211926 [0,1,1,0,0,0|1,0,0]=3 3136 B12R1.28 OCCNCc1cncc(c1)Cl 270004a_100000210304_100000088910 [0,1,1,0,0,0|1,0,0]=3 3137 B12R1.28 OCCNCc1cncc(c1)Cl 34a_100016990907_100016992070 [0,1,1,0,0,0|1,0,0]=3 3138 B12R1.28 OCCNCc1cncc(c1)F 207a_100000210304_100011361476 [0,1,1,0,0,0|1,0,0]=3 3139 B12R1.28 OCCNCc1cncc(c1)F 2230a_100011962886_100000211926 [0,1,1,0,0,0|1,0,0]=3 3140 B12R1.28 OCCNCc1cncc(c1)F 2230a_100016997473_100000725299 [0,1,1,0,0,0|1,0,0]=3 3141 B12R1.28 OCCNCc1cncc(c1)F 270004a_100000210304_100011361476 [0,1,1,0,0,0|1,0,0]=3 3142 B12R1.28 OCCNCc1cncc(c1)F 34a_100011962886_100000211926 [0,1,1,0,0,0|1,0,0]=3 3143 B12R1.28 OCCNCc1cncc(c1)F 34a_100016990907_100000725299 [0,1,1,0,0,0|1,0,0]=3 3144 B12R1.28 OCCNCc1cncc(c1)O 207a_100000210304_100012187055 [0,1,1,0,0,0|1,0,0]=3 3145 B12R1.28 OCCNCc1cncc(c1)O 270004a_100000210304_100012187055 [0,1,1,0,0,0|1,0,0]=3 3146 B12R1.28 OCCOCc1cncc(c1)Br 34a_100011259137_100000211926 [0,1,1,0,0,0|2,0,0]=4 3147 B12R1.28 OCCOCc1cncc(c1)Br 7a_100011259137_100000211926 [0,1,1,0,0,0|2,0,0]=4 3148 B12R1.28 OCCOCc1cncc(c1)Cl 34a_100000092867_100000211926 [0,1,1,0,0,0|2,0,0]=4 3149 B12R1.28 OCCOCc1cncc(c1)Cl 7a_100000092867_100000211926 [0,1,1,0,0,0|2,0,0]=4 3150 B12R1.28 OCCOCc1cncc(c1)F 34a_100011962875_100000211926 [0,1,1,0,0,0|2,0,0]=4 3151 B12R1.28 OCCOCc1cncc(c1)F 7a_100011962875_100000211926 [0,1,1,0,0,0|2,0,0]=4 3152 B12R1.28 OCCSCc1cncc(c1)Br 62a_100000211926_100000738771 [0,1,1,0,0,0|2,0,0]=4 3153 B12R1.28 OCCSCc1cncc(c1)Br 62a_100000738771_100000211926 [0,1,1,0,0,0|2,0,0]=4 3154 B12R1.28 OCCSCc1cncc(c1)Cl 62a_100000211926_100016992070 [0,1,1,0,0,0|2,0,0]=4 3155 B12R1.28 OCCSCc1cncc(c1)Cl 62a_100016992070_100000211926 [0,1,1,0,0,0|2,0,0]=4 3156 B12R1.28 OCCSCc1cncc(c1)F 62a_100000211926_100000725299 [0,1,1,0,0,0|2,0,0]=4 3157 B12R1.28 OCCSCc1cncc(c1)F 62a_100000725299_100000211926 [0,1,1,0,0,0|2,0,0]=4 3158 B12R1.28 Oc1cccc(c1)CNCCF 2230a_100000743036_100011217306 [0,1,1,0,0,0|2,0,0]=4 3159 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000724931_100011660834 [0,1,1,0,0,0|2,0,0]=4 3160 B12R1.28 Oc1cccc(c1)CNCCF 34a_100000743036_100011217306 [0,1,1,0,0,0|2,0,0]=4 3161 B12R1.28 Oc1cncc(c1)SCCCF 62a_100000754920_100011934791 [0,1,1,0,0,0|2,0,0]=4 3162 B12R1.28 Oc1cncc(c1)SCCCF 62a_100011934791_100000754920 [0,1,1,0,0,0|2,0,0]=4 3163 B12R1.32 C#CCN(C)Cc1cccnc1 2230a_100000184577_100000038162 [0,1,1,0,0,0|0,0,2]=4 3164 B12R1.32 C#CCN(C)Cc1cccnc1 2230a_100000225692_100000741622 [0,1,1,0,0,0|0,0,2]=4 3165 B12R1.32 C#CCN(C)Cc1cccnc1 270004a_100000225692_100000209961 [0,1,1,0,0,0|0,0,2]=4 3166 B12R1.32 C#CCN(C)Cc1cccnc1 34a_100000225692_100000733263 [0,1,1,0,0,0|0,0,2]=4 3167 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000184577_100000210623 [0,1,1,0,0,0|0,0,2]=4 3168 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000201331_200000210301 [0,1,1,0,0,0|0,0,2]=4 3169 B12R1.32 C=CCN(C)Cc1cccnc1 2230a_100000225617_100000741622 [0,1,1,0,0,0|0,0,2]=4 3170 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000184577_100000210623 [0,1,1,0,0,0|0,0,2]=4 3171 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000201331_200000210301 [0,1,1,0,0,0|0,0,2]=4 3172 B12R1.32 C=CCN(C)Cc1cccnc1 269982a_100000225617_100000733263 [0,1,1,0,0,0|0,0,2]=4 3173 B12R1.32 C=CCN(C)Cc1cccnc1 270004a_100000225617_100000209961 [0,1,1,0,0,0|0,0,2]=4 3174 B12R1.32 C=CCN([13CH3])Cc1cccnc1 2230a_100000201331_200025704644 [0,1,1,0,0,0|0,0,2]=4 3175 B12R1.32 C=CCN([13CH3])Cc1cccnc1 269982a_100000201331_200025704644 [0,1,1,0,0,0|0,0,2]=4 3176 B12R1.32 CC(CCO)Oc1cccnc1 34a_100000210849_100009893172 [0,1,1,0,0,0|2,0,0]=4 3177 B12R1.32 CC(CCO)Oc1cccnc1 7a_100000210849_100009893172 [0,1,1,0,0,0|2,0,0]=4 3178 B12R1.32 CC(CCO)Sc1cccnc1 62a_100000210063_100009893172 [0,1,1,0,0,0|2,0,0]=4 3179 B12R1.32 CC(CCO)Sc1cccnc1 62a_100009893172_100000210063 [0,1,1,0,0,0|2,0,0]=4 3180 B12R1.32 CCCC(=O)Cc1ccccc1 1458a_100000211992_100015291786 [0,1,1,0,0,0|2,0,0]=4 3181 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000211992_100000733263 [0,1,1,0,0,0|1,0,0]=3 3182 B12R1.32 CCCC(=O)Cc1cccnc1 1458a_100000737805_100000210303 [0,1,1,0,0,0|1,0,0]=3 3183 B12R1.32 CCCC(=O)Cc1cccnn1 1458a_100000211992_100016990269 [0,1,1,0,0,0|2,0,0]=4 3184 B12R1.32 CCCC(=O)Cc1cnccn1 1458a_100000211992_100016995436 [0,1,1,0,0,0|2,0,0]=4 3185 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000211992_100015196519 [0,1,1,0,0,0|2,0,0]=4 3186 B12R1.32 CCCC(=O)Cc1cncnc1 1458a_100000721575_100000210303 [0,1,1,0,0,0|2,0,0]=4 3187 B12R1.32 CCCC(C)Oc1cccnc1 34a_100000210849_100000766640 [0,1,1,0,0,0|2,0,0]=4 3188 B12R1.32 CCCC(C)Oc1cccnc1 7a_100000210849_100000766640 [0,1,1,0,0,0|2,0,0]=4 3189 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000210063_100000766640 [0,1,1,0,0,0|2,0,0]=4 3190 B12R1.32 CCCC(C)Sc1cccnc1 62a_100000766640_100000210063 [0,1,1,0,0,0|2,0,0]=4 3191 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000184400_200000210301 [0,1,1,0,0,0|1,0,0]=3 3192 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000186898_100000210303 [0,1,1,0,0,0|1,0,0]=3 3193 B12R1.32 CCCN(C)Cc1ccccc1 2230a_100000747261_100015291786 [0,1,1,0,0,0|1,0,0]=3 3194 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000184400_200000210301 [0,1,1,0,0,0|1,0,0]=3 3195 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000186898_100000210303 [0,1,1,0,0,0|1,0,0]=3 3196 B12R1.32 CCCN(C)Cc1ccccc1 269982a_100000747261_100000211182 [0,1,1,0,0,0|1,0,0]=3 3197 B12R1.32 CCCN(C)Cc1ccccc1 270004a_100000747261_100015611070 [0,1,1,0,0,0|1,0,0]=3 3198 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000207498_100000210303 [0,1,1,0,0,0|2,0,0]=4 3199 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100000747261_100000721315 [0,1,1,0,0,0|2,0,0]=4 3200 B12R1.32 CCCN(C)Cc1ccccn1 2230a_100160999930_200000210301 [0,1,1,0,0,0|2,0,0]=4 3201 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000207498_100000210303 [0,1,1,0,0,0|2,0,0]=4 3202 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100000747261_100000721315 [0,1,1,0,0,0|2,0,0]=4 3203 B12R1.32 CCCN(C)Cc1ccccn1 269982a_100160999930_200000210301 [0,1,1,0,0,0|2,0,0]=4 3204 B12R1.32 CCCN(C)Cc1ccccn1 270004a_100000747261_100000209966 [0,1,1,0,0,0|2,0,0]=4 3205 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000184577_100000210303 [0,1,1,0,0,0|0,0,0]=2 3206 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100000747261_100000741622 [0,1,1,0,0,0|0,0,0]=2 3207 B12R1.32 CCCN(C)Cc1cccnc1 2230a_100160553015_200000210301 [0,1,1,0,0,0|0,0,0]=2 3208 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000184577_100000210303 [0,1,1,0,0,0|0,0,0]=2 3209 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100000747261_100000733263 [0,1,1,0,0,0|0,0,0]=2 3210 B12R1.32 CCCN(C)Cc1cccnc1 269982a_100160553015_200000210301 [0,1,1,0,0,0|0,0,0]=2 3211 B12R1.32 CCCN(C)Cc1cccnc1 270004a_100000747261_100000209961 [0,1,1,0,0,0|0,0,0]=2 3212 B12R1.32 CCCN(C)Cc1cccnn1 2230a_100000747261_100016990269 [0,1,1,0,0,0|1,0,0]=3 3213 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000187231_100000210303 [0,1,1,0,0,0|2,0,0]=4 3214 B12R1.32 CCCN(C)Cc1ccncc1 2230a_100000747261_100015193705 [0,1,1,0,0,0|2,0,0]=4 3215 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000187231_100000210303 [0,1,1,0,0,0|2,0,0]=4 3216 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100000747261_100015193705 [0,1,1,0,0,0|2,0,0]=4 3217 B12R1.32 CCCN(C)Cc1ccncc1 269982a_100160551226_200000210301 [0,1,1,0,0,0|2,0,0]=4 3218 B12R1.32 CCCN(C)Cc1ccnnc1 270004a_100000747261_100011934578 [0,1,1,0,0,0|1,0,0]=3 3219 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100000747261_100016995436 [0,1,1,0,0,0|1,0,0]=3 3220 B12R1.32 CCCN(C)Cc1cnccn1 2230a_100011269079_100000210303 [0,1,1,0,0,0|1,0,0]=3 3221 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100000747261_100016995436 [0,1,1,0,0,0|1,0,0]=3 3222 B12R1.32 CCCN(C)Cc1cnccn1 269982a_100011269079_100000210303 [0,1,1,0,0,0|1,0,0]=3 3223 B12R1.32 CCCN(C)Cc1cnccn1 270004a_100000747261_100000749867 [0,1,1,0,0,0|1,0,0]=3 3224 B12R1.32 CCCN(C)Cc1cncnc1 2230a_100000747261_100015196519 [0,1,1,0,0,0|1,0,0]=3 3225 B12R1.32 CCCN(C)Cc1cncnc1 269982a_100000747261_100016991940 [0,1,1,0,0,0|1,0,0]=3 3226 B12R1.32 CCCN(C)Cc1cncnc1 270004a_100000747261_100000749868 [0,1,1,0,0,0|1,0,0]=3 3227 B12R1.32 CCCN([13CH3])Cc1ccccc1 2230a_100000184400_200025704644 [0,1,1,0,0,0|1,0,0]=3 3228 B12R1.32 CCCN([13CH3])Cc1ccccc1 269982a_100000184400_200025704644 [0,1,1,0,0,0|1,0,0]=3 3229 B12R1.32 CCCN([13CH3])Cc1ccccn1 2230a_100160999930_200025704644 [0,1,1,0,0,0|2,0,0]=4 3230 B12R1.32 CCCN([13CH3])Cc1ccccn1 269982a_100160999930_200025704644 [0,1,1,0,0,0|2,0,0]=4 3231 B12R1.32 CCCN([13CH3])Cc1cccnc1 2230a_100160553015_200025704644 [0,1,1,0,0,0|0,0,0]=2 3232 B12R1.32 CCCN([13CH3])Cc1cccnc1 269982a_100160553015_200025704644 [0,1,1,0,0,0|0,0,0]=2 3233 B12R1.32 CCCN([13CH3])Cc1ccncc1 269982a_100160551226_200025704644 [0,1,1,0,0,0|2,0,0]=4 3234 B12R1.32 CCNC(=O)Cc1cccnc1 11a_100015525214_100000737805 [0,1,1,0,0,0|2,0,0]=4 3235 B12R1.32 CCNC(=O)Cc1cccnc1 240690a_100015525214_100000737805 [0,1,1,0,0,0|2,0,0]=4 3236 B12R1.32 CCNC(=O)Cc1cccnc1 527a_100015525214_100000737805 [0,1,1,0,0,0|2,0,0]=4 3237 B12R1.32 CCNC(C)Cc1cccnc1 2230a_100011207255_100000210202 [0,1,1,0,0,0|2,0,0]=4 3238 B12R1.32 CCNC(C)Cc1cccnc1 270004a_100015525214_100015187140 [0,1,1,0,0,0|2,0,0]=4 3239 B12R1.32 CN(CC#N)Cc1cccnc1 2230a_100000184577_100011215382 [0,1,1,0,0,0|1,0,1]=4 3240 B12R1.32 CN(CC#N)Cc1cccnc1 2230a_100000748184_100000741622 [0,1,1,0,0,0|1,0,1]=4 3241 B12R1.32 CN(CC#N)Cc1cccnc1 269982a_100000184577_100011214920 [0,1,1,0,0,0|1,0,1]=4 3242 B12R1.32 CN(CC=O)Cc1cccnc1 2230a_100000184577_200015260668 [0,1,1,0,0,0|1,0,1]=4 3243 B12R1.32 CN(CC=O)Cc1cccnc1 269982a_100000184577_200015260668 [0,1,1,0,0,0|1,0,1]=4 3244 B12R1.32 CN(CCF)Cc1ccccc1 2230a_100000186898_100011217306 [0,1,1,0,0,0|2,0,0]=4 3245 B12R1.32 CN(CCF)Cc1ccccc1 269982a_100000186898_100011217306 [0,1,1,0,0,0|2,0,0]=4 3246 B12R1.32 CN(CCF)Cc1cccnc1 2230a_100000184577_100011217306 [0,1,1,0,0,0|1,0,0]=3 3247 B12R1.32 CN(CCF)Cc1cccnc1 269982a_100000184577_100011217306 [0,1,1,0,0,0|1,0,0]=3 3248 B12R1.32 CN(CCF)Cc1cnccn1 2230a_100011269079_100011217306 [0,1,1,0,0,0|2,0,0]=4 3249 B12R1.32 CN(CCF)Cc1cnccn1 269982a_100011269079_100011217306 [0,1,1,0,0,0|2,0,0]=4 3250 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000180844_200000210301 [0,1,1,0,0,0|2,0,0]=4 3251 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000186898_100000211926 [0,1,1,0,0,0|2,0,0]=4 3252 B12R1.32 CN(CCO)Cc1ccccc1 2230a_100000210263_100015291786 [0,1,1,0,0,0|2,0,0]=4 3253 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000180844_200000210301 [0,1,1,0,0,0|2,0,0]=4 3254 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000186898_100000211926 [0,1,1,0,0,0|2,0,0]=4 3255 B12R1.32 CN(CCO)Cc1ccccc1 269982a_100000210263_100000211182 [0,1,1,0,0,0|2,0,0]=4 3256 B12R1.32 CN(CCO)Cc1ccccc1 270004a_100000210263_100015611070 [0,1,1,0,0,0|2,0,0]=4 3257 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000184577_100000211926 [0,1,1,0,0,0|1,0,0]=3 3258 B12R1.32 CN(CCO)Cc1cccnc1 2230a_100000210263_100000741622 [0,1,1,0,0,0|1,0,0]=3 3259 B12R1.32 CN(CCO)Cc1cccnc1 2230a_200000200437_200000210301 [0,1,1,0,0,0|1,0,0]=3 3260 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000184577_100000211926 [0,1,1,0,0,0|1,0,0]=3 3261 B12R1.32 CN(CCO)Cc1cccnc1 269982a_100000210263_100000733263 [0,1,1,0,0,0|1,0,0]=3 3262 B12R1.32 CN(CCO)Cc1cccnc1 269982a_200000200437_200000210301 [0,1,1,0,0,0|1,0,0]=3 3263 B12R1.32 CN(CCO)Cc1cccnc1 270004a_100000210263_100000209961 [0,1,1,0,0,0|1,0,0]=3 3264 B12R1.32 CN(CCO)Cc1cccnn1 2230a_100000210263_100016990269 [0,1,1,0,0,0|2,0,0]=4 3265 B12R1.32 CN(CCO)Cc1ccnnc1 270004a_100000210263_100011934578 [0,1,1,0,0,0|2,0,0]=4 3266 B12R1.32 CN(CCO)Cc1cnccn1 2230a_100000210263_100016995436 [0,1,1,0,0,0|2,0,0]=4 3267 B12R1.32 CN(CCO)Cc1cnccn1 2230a_100011269079_100000211926 [0,1,1,0,0,0|2,0,0]=4 3268 B12R1.32 CN(CCO)Cc1cnccn1 269982a_100000210263_100016995436 [0,1,1,0,0,0|2,0,0]=4 3269 B12R1.32 CN(CCO)Cc1cnccn1 269982a_100011269079_100000211926 [0,1,1,0,0,0|2,0,0]=4 3270 B12R1.32 CN(CCO)Cc1cnccn1 270004a_100000210263_100000749867 [0,1,1,0,0,0|2,0,0]=4 3271 B12R1.32 CN(CCO)Cc1cncnc1 2230a_100000210263_100015196519 [0,1,1,0,0,0|2,0,0]=4 3272 B12R1.32 CN(CCO)Cc1cncnc1 269982a_100000210263_100016991940 [0,1,1,0,0,0|2,0,0]=4 3273 B12R1.32 CN(CCO)Cc1cncnc1 270004a_100000210263_100000749868 [0,1,1,0,0,0|2,0,0]=4 3274 B12R1.32 COCC(=O)Cc1cccnc1 1458a_100000210968_100000733263 [0,1,1,0,0,0|2,0,0]=4 3275 B12R1.32 COCN(C)Cc1ccccc1 2230a_100000186898_100000766300 [0,1,1,0,0,0|2,0,0]=4 3276 B12R1.32 COCN(C)Cc1ccccc1 269982a_100000186898_100000766300 [0,1,1,0,0,0|2,0,0]=4 3277 B12R1.32 COCN(C)Cc1cccnc1 2230a_100000184577_100000766300 [0,1,1,0,0,0|1,0,0]=3 3278 B12R1.32 COCN(C)Cc1cccnc1 269982a_100000184577_100000766300 [0,1,1,0,0,0|1,0,0]=3 3279 B12R1.32 COCN(C)Cc1cnccn1 2230a_100011269079_100000766300 [0,1,1,0,0,0|2,0,0]=4 3280 B12R1.32 COCN(C)Cc1cnccn1 269982a_100011269079_100000766300 [0,1,1,0,0,0|2,0,0]=4 3281 B12R1.32 CSCC(=O)Cc1cccnc1 1458a_100000184570_100000733263 [0,1,1,0,0,0|2,0,0]=4 3282 B12R1.32 CSCN(C)Cc1ccccc1 2230a_100000186898_100011218213 [0,1,1,0,0,0|2,0,0]=4 3283 B12R1.32 CSCN(C)Cc1ccccc1 269982a_100000186898_100011218213 [0,1,1,0,0,0|2,0,0]=4 3284 B12R1.32 CSCN(C)Cc1cccnc1 2230a_100000184577_100011218213 [0,1,1,0,0,0|1,0,0]=3 3285 B12R1.32 CSCN(C)Cc1cccnc1 269982a_100000184577_100011218213 [0,1,1,0,0,0|1,0,0]=3 3286 B12R1.32 CSCN(C)Cc1cnccn1 2230a_100011269079_100011218213 [0,1,1,0,0,0|2,0,0]=4 3287 B12R1.32 CSCN(C)Cc1cnccn1 269982a_100011269079_100011218213 [0,1,1,0,0,0|2,0,0]=4 3288 B12R1.32 O=C(CCF)Cc1cccnc1 1458a_100000737805_100011217306 [0,1,1,0,0,0|1,0,1]=4 3289 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100000737805_100000211926 [0,1,1,0,0,0|1,0,1]=4 3290 B12R1.32 O=C(CCO)Cc1cccnc1 1458a_100011216618_100000733263 [0,1,1,0,0,0|1,0,1]=4 3291 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 2230a_100000180844_200025704644 [0,1,1,0,0,0|2,0,0]=4 3292 B12R1.32 [13CH3]N(CCO)Cc1ccccc1 269982a_100000180844_200025704644 [0,1,1,0,0,0|2,0,0]=4 3293 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 2230a_200000200437_200025704644 [0,1,1,0,0,0|1,0,0]=3 3294 B12R1.32 [13CH3]N(CCO)Cc1cccnc1 269982a_200000200437_200025704644 [0,1,1,0,0,0|1,0,0]=3 3295 B12R1.252 C=C(C)CNCc1ccccc1 2230a_100015324214_100000748629 [0,1,1,0,0,0|1,0,1]=4 3296 B12R1.252 C=C(C)CNCc1ccccc1 34a_100015324214_100000748629 [0,1,1,0,0,0|1,0,1]=4 3297 B12R1.252 C=C(C)CNCc1cccnn1 2230a_100159270163_100000748629 [0,1,1,0,0,0|1,0,1]=4 3298 B12R1.252 C=C(C)CNCc1cncnc1 2230a_100011243677_100000748629 [0,1,1,0,0,0|1,0,1]=4 3299 B12R1.252 C=C(C)COCc1cccnc1 34a_100000210245_100000733263 [0,1,1,0,0,0|1,0,1]=4 3300 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000741622_100000211660 [0,1,1,0,0,0|1,0,1]=4 3301 B12R1.252 C=C(C)CSCc1cccnc1 62a_100000748629_100000741622 [0,1,1,0,0,0|1,0,1]=4 3302 B12R1.252 CC(=O)COCc1cccnc1 34a_100000211253_100000733263 [0,1,1,0,0,0|1,0,1]=4 3303 B12R1.252 CC(=O)NNCc1cccnc1 22a_100000738295_100000070787 [0,1,1,0,0,0|1,0,1]=4 3304 B12R1.252 CC(Br)COCc1ccccc1 34a_100012180447_100015291786 [0,1,1,0,0,0|2,0,0]=4 3305 B12R1.252 CC(Br)COCc1cccnc1 34a_100012180447_100000733263 [0,1,1,0,0,0|1,0,0]=3 3306 B12R1.252 CC(Br)COCc1cccnn1 34a_100012180447_100016990269 [0,1,1,0,0,0|2,0,0]=4 3307 B12R1.252 CC(Br)COCc1cnccn1 34a_100012180447_100016995436 [0,1,1,0,0,0|2,0,0]=4 3308 B12R1.252 CC(Br)COCc1cncnc1 34a_100012180447_100015196519 [0,1,1,0,0,0|2,0,0]=4 3309 B12R1.252 CC(C)CC=Cc1cccnc1 271570a_100016259101_100000752921 [0,1,1,0,0,0|1,0,1]=4 3310 B12R1.252 CC(C)CCOc1cccnc1 34a_100000210849_100000210312 [0,1,1,0,0,0|2,0,0]=4 3311 B12R1.252 CC(C)CCOc1cccnc1 7a_100000210849_100000210626 [0,1,1,0,0,0|2,0,0]=4 3312 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210063_100000210312 [0,1,1,0,0,0|2,0,0]=4 3313 B12R1.252 CC(C)CCSc1cccnc1 62a_100000210312_100000210063 [0,1,1,0,0,0|2,0,0]=4 3314 B12R1.252 CC(C)CNCc1ccccc1 207a_100000210953_100015611070 [0,1,1,0,0,0|1,0,0]=3 3315 B12R1.252 CC(C)CNCc1ccccc1 2230a_100000210953_100015291786 [0,1,1,0,0,0|1,0,0]=3 3316 B12R1.252 CC(C)CNCc1ccccc1 2230a_100015324214_100000210760 [0,1,1,0,0,0|1,0,0]=3 3317 B12R1.252 CC(C)CNCc1ccccc1 270004a_100000210953_100015611070 [0,1,1,0,0,0|1,0,0]=3 3318 B12R1.252 CC(C)CNCc1ccccc1 270004a_100015324214_100000210432 [0,1,1,0,0,0|1,0,0]=3 3319 B12R1.252 CC(C)CNCc1ccccc1 34a_100000210953_100015291786 [0,1,1,0,0,0|1,0,0]=3 3320 B12R1.252 CC(C)CNCc1ccccc1 34a_100015324214_100000210624 [0,1,1,0,0,0|1,0,0]=3 3321 B12R1.252 CC(C)CNCc1ccccn1 207a_100000210953_100000209966 [0,1,1,0,0,0|2,0,0]=4 3322 B12R1.252 CC(C)CNCc1ccccn1 2230a_100000210953_100000721315 [0,1,1,0,0,0|2,0,0]=4 3323 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210449_100000210432 [0,1,1,0,0,0|2,0,0]=4 3324 B12R1.252 CC(C)CNCc1ccccn1 270004a_100000210953_100000209966 [0,1,1,0,0,0|2,0,0]=4 3325 B12R1.252 CC(C)CNCc1ccccn1 34a_100000210953_100000721315 [0,1,1,0,0,0|2,0,0]=4 3326 B12R1.252 CC(C)CNCc1cccnc1 207a_100000210953_100000209961 [0,1,1,0,0,0|0,0,0]=2 3327 B12R1.252 CC(C)CNCc1cccnc1 2230a_100000210953_100000741622 [0,1,1,0,0,0|0,0,0]=2 3328 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210453_100000210432 [0,1,1,0,0,0|0,0,0]=2 3329 B12R1.252 CC(C)CNCc1cccnc1 270004a_100000210953_100000209961 [0,1,1,0,0,0|0,0,0]=2 3330 B12R1.252 CC(C)CNCc1cccnc1 34a_100000210953_100000733263 [0,1,1,0,0,0|0,0,0]=2 3331 B12R1.252 CC(C)CNCc1cccnn1 2230a_100000210953_100016990269 [0,1,1,0,0,0|1,0,0]=3 3332 B12R1.252 CC(C)CNCc1cccnn1 2230a_100159270163_100000210760 [0,1,1,0,0,0|1,0,0]=3 3333 B12R1.252 CC(C)CNCc1cccnn1 34a_100000210953_100016990269 [0,1,1,0,0,0|1,0,0]=3 3334 B12R1.252 CC(C)CNCc1ccncc1 207a_100000210953_100000186114 [0,1,1,0,0,0|2,0,0]=4 3335 B12R1.252 CC(C)CNCc1ccncc1 2230a_100000210953_100015193705 [0,1,1,0,0,0|2,0,0]=4 3336 B12R1.252 CC(C)CNCc1ccnnc1 270004a_100000210953_100011934578 [0,1,1,0,0,0|1,0,0]=3 3337 B12R1.252 CC(C)CNCc1cnccn1 2230a_100000210953_100016995436 [0,1,1,0,0,0|1,0,0]=3 3338 B12R1.252 CC(C)CNCc1cnccn1 270004a_100000210953_100000749867 [0,1,1,0,0,0|1,0,0]=3 3339 B12R1.252 CC(C)CNCc1cnccn1 34a_100000210953_100016995436 [0,1,1,0,0,0|1,0,0]=3 3340 B12R1.252 CC(C)CNCc1cncnc1 2230a_100000210953_100015196519 [0,1,1,0,0,0|1,0,0]=3 3341 B12R1.252 CC(C)CNCc1cncnc1 2230a_100011243677_100000210760 [0,1,1,0,0,0|1,0,0]=3 3342 B12R1.252 CC(C)CNCc1cncnc1 270004a_100000210953_100000749868 [0,1,1,0,0,0|1,0,0]=3 3343 B12R1.252 CC(C)CNCc1cncnc1 270004a_100011243677_100000210432 [0,1,1,0,0,0|1,0,0]=3 3344 B12R1.252 CC(C)CNCc1cncnc1 34a_100000210953_100015196519 [0,1,1,0,0,0|1,0,0]=3 3345 B12R1.252 CC(C)COCc1ccccc1 34a_100000210257_100015291786 [0,1,1,0,0,0|2,0,0]=4 3346 B12R1.252 CC(C)COCc1ccccc1 34a_100000210790_100000210624 [0,1,1,0,0,0|2,0,0]=4 3347 B12R1.252 CC(C)COCc1ccccc1 7a_100000210790_100000210760 [0,1,1,0,0,0|2,0,0]=4 3348 B12R1.252 CC(C)COCc1cccnc1 34a_100000210257_100000733263 [0,1,1,0,0,0|1,0,0]=3 3349 B12R1.252 CC(C)COCc1cccnn1 34a_100000210257_100016990269 [0,1,1,0,0,0|2,0,0]=4 3350 B12R1.252 CC(C)COCc1cnccn1 34a_100000210257_100016995436 [0,1,1,0,0,0|2,0,0]=4 3351 B12R1.252 CC(C)COCc1cncnc1 34a_100000210257_100015196519 [0,1,1,0,0,0|2,0,0]=4 3352 B12R1.252 CC(C)CSCc1ccccc1 62a_100000210624_100015291786 [0,1,1,0,0,0|2,0,0]=4 3353 B12R1.252 CC(C)CSCc1ccccc1 62a_100000211182_100000210760 [0,1,1,0,0,0|2,0,0]=4 3354 B12R1.252 CC(C)CSCc1cccnc1 62a_100000210624_100000741622 [0,1,1,0,0,0|1,0,0]=3 3355 B12R1.252 CC(C)CSCc1cccnc1 62a_100000741622_100000210760 [0,1,1,0,0,0|1,0,0]=3 3356 B12R1.252 CC(C)CSCc1cccnn1 62a_100000210624_100016990269 [0,1,1,0,0,0|2,0,0]=4 3357 B12R1.252 CC(C)CSCc1cccnn1 62a_100016990269_100000210760 [0,1,1,0,0,0|2,0,0]=4 3358 B12R1.252 CC(C)CSCc1cnccn1 62a_100000210624_100016995436 [0,1,1,0,0,0|2,0,0]=4 3359 B12R1.252 CC(C)CSCc1cnccn1 62a_100016995436_100000210760 [0,1,1,0,0,0|2,0,0]=4 3360 B12R1.252 CC(C)CSCc1cncnc1 62a_100000210624_100015196519 [0,1,1,0,0,0|2,0,0]=4 3361 B12R1.252 CC(C)CSCc1cncnc1 62a_100015196519_100000210760 [0,1,1,0,0,0|2,0,0]=4 3362 B12R1.252 CC(C)NCCc1cccnc1 2230a_100000736294_100000210206 [0,1,1,0,0,0|2,0,0]=4 3363 B12R1.252 CC(C)NCCc1cccnc1 2230a_100138425928_200011713674 [0,1,1,0,0,0|2,0,0]=4 3364 B12R1.252 CC(C)OCCc1cccnc1 34a_100011217484_100000210206 [0,1,1,0,0,0|2,0,0]=4 3365 B12R1.252 CC(C)SCCc1cccnc1 62a_100000210206_200011713674 [0,1,1,0,0,0|2,0,0]=4 3366 B12R1.252 CC(C)SCCc1cccnc1 62a_200011713674_100000210206 [0,1,1,0,0,0|2,0,0]=4 3367 B12R1.252 CC(F)COCc1ccccc1 34a_100015925927_100015291786 [0,1,1,0,0,0|2,0,0]=4 3368 B12R1.252 CC(F)COCc1cccnc1 34a_100015925927_100000733263 [0,1,1,0,0,0|1,0,0]=3 3369 B12R1.252 CC(F)COCc1cccnn1 34a_100015925927_100016990269 [0,1,1,0,0,0|2,0,0]=4 3370 B12R1.252 CC(F)COCc1cnccn1 34a_100015925927_100016995436 [0,1,1,0,0,0|2,0,0]=4 3371 B12R1.252 CC(F)COCc1cncnc1 34a_100015925927_100015196519 [0,1,1,0,0,0|2,0,0]=4 3372 B12R1.252 CC(O)CCOc1cccnc1 34a_100000210849_100012276601 [0,1,1,0,0,0|2,0,0]=4 3373 B12R1.252 CC(O)CCOc1cccnc1 7a_100000210849_100012276601 [0,1,1,0,0,0|2,0,0]=4 3374 B12R1.252 CC(O)CCSc1cccnc1 62a_100000210063_100012276601 [0,1,1,0,0,0|2,0,0]=4 3375 B12R1.252 CC(O)CCSc1cccnc1 62a_100012276601_100000210063 [0,1,1,0,0,0|2,0,0]=4 3376 B12R1.252 CC(O)CNCc1ccccc1 207a_100000210904_100015611070 [0,1,1,0,0,0|1,0,0]=3 3377 B12R1.252 CC(O)CNCc1ccccc1 2230a_100000210904_100015291786 [0,1,1,0,0,0|1,0,0]=3 3378 B12R1.252 CC(O)CNCc1ccccc1 2230a_100015324214_100011218427 [0,1,1,0,0,0|1,0,0]=3 3379 B12R1.252 CC(O)CNCc1ccccc1 270004a_100000210904_100015611070 [0,1,1,0,0,0|1,0,0]=3 3380 B12R1.252 CC(O)CNCc1ccccc1 34a_100000210904_100015291786 [0,1,1,0,0,0|1,0,0]=3 3381 B12R1.252 CC(O)CNCc1ccccc1 34a_100015324214_100011218427 [0,1,1,0,0,0|1,0,0]=3 3382 B12R1.252 CC(O)CNCc1ccccn1 207a_100000210904_100000209966 [0,1,1,0,0,0|2,0,0]=4 3383 B12R1.252 CC(O)CNCc1ccccn1 2230a_100000210904_100000721315 [0,1,1,0,0,0|2,0,0]=4 3384 B12R1.252 CC(O)CNCc1ccccn1 270004a_100000210904_100000209966 [0,1,1,0,0,0|2,0,0]=4 3385 B12R1.252 CC(O)CNCc1ccccn1 34a_100000210904_100000721315 [0,1,1,0,0,0|2,0,0]=4 3386 B12R1.252 CC(O)CNCc1cccnc1 207a_100000210904_100000209961 [0,1,1,0,0,0|0,0,0]=2 3387 B12R1.252 CC(O)CNCc1cccnc1 2230a_100000210904_100000741622 [0,1,1,0,0,0|0,0,0]=2 3388 B12R1.252 CC(O)CNCc1cccnc1 270004a_100000210904_100000209961 [0,1,1,0,0,0|0,0,0]=2 3389 B12R1.252 CC(O)CNCc1cccnc1 34a_100000210904_100000733263 [0,1,1,0,0,0|0,0,0]=2 3390 B12R1.252 CC(O)CNCc1cccnn1 2230a_100000210904_100016990269 [0,1,1,0,0,0|1,0,0]=3 3391 B12R1.252 CC(O)CNCc1cccnn1 2230a_100159270163_100011218427 [0,1,1,0,0,0|1,0,0]=3 3392 B12R1.252 CC(O)CNCc1cccnn1 34a_100000210904_100016990269 [0,1,1,0,0,0|1,0,0]=3 3393 B12R1.252 CC(O)CNCc1ccncc1 207a_100000210904_100000186114 [0,1,1,0,0,0|2,0,0]=4 3394 B12R1.252 CC(O)CNCc1ccncc1 2230a_100000210904_100015193705 [0,1,1,0,0,0|2,0,0]=4 3395 B12R1.252 CC(O)CNCc1ccnnc1 270004a_100000210904_100011934578 [0,1,1,0,0,0|1,0,0]=3 3396 B12R1.252 CC(O)CNCc1cnccn1 2230a_100000210904_100016995436 [0,1,1,0,0,0|1,0,0]=3 3397 B12R1.252 CC(O)CNCc1cnccn1 270004a_100000210904_100000749867 [0,1,1,0,0,0|1,0,0]=3 3398 B12R1.252 CC(O)CNCc1cnccn1 34a_100000210904_100016995436 [0,1,1,0,0,0|1,0,0]=3 3399 B12R1.252 CC(O)CNCc1cncnc1 2230a_100000210904_100015196519 [0,1,1,0,0,0|1,0,0]=3 3400 B12R1.252 CC(O)CNCc1cncnc1 2230a_100011243677_100011218427 [0,1,1,0,0,0|1,0,0]=3 3401 B12R1.252 CC(O)CNCc1cncnc1 270004a_100000210904_100000749868 [0,1,1,0,0,0|1,0,0]=3 3402 B12R1.252 CC(O)CNCc1cncnc1 34a_100000210904_100015196519 [0,1,1,0,0,0|1,0,0]=3 3403 B12R1.252 CC(O)COCc1ccccc1 34a_100000210790_100011218427 [0,1,1,0,0,0|2,0,0]=4 3404 B12R1.252 CC(O)COCc1ccccc1 7a_100000210790_100011218427 [0,1,1,0,0,0|2,0,0]=4 3405 B12R1.252 CC(O)CSCc1ccccc1 62a_100000211182_100011218427 [0,1,1,0,0,0|2,0,0]=4 3406 B12R1.252 CC(O)CSCc1ccccc1 62a_100011218427_100015291786 [0,1,1,0,0,0|2,0,0]=4 3407 B12R1.252 CC(O)CSCc1cccnc1 62a_100000741622_100011218427 [0,1,1,0,0,0|1,0,0]=3 3408 B12R1.252 CC(O)CSCc1cccnc1 62a_100011218427_100000741622 [0,1,1,0,0,0|1,0,0]=3 3409 B12R1.252 CC(O)CSCc1cccnn1 62a_100011218427_100016990269 [0,1,1,0,0,0|2,0,0]=4 3410 B12R1.252 CC(O)CSCc1cccnn1 62a_100016990269_100011218427 [0,1,1,0,0,0|2,0,0]=4 3411 B12R1.252 CC(O)CSCc1cnccn1 62a_100011218427_100016995436 [0,1,1,0,0,0|2,0,0]=4 3412 B12R1.252 CC(O)CSCc1cnccn1 62a_100016995436_100011218427 [0,1,1,0,0,0|2,0,0]=4 3413 B12R1.252 CC(O)CSCc1cncnc1 62a_100011218427_100015196519 [0,1,1,0,0,0|2,0,0]=4 3414 B12R1.252 CC(O)CSCc1cncnc1 62a_100015196519_100011218427 [0,1,1,0,0,0|2,0,0]=4 3415 B12R1.252 C[C@@H](Cl)COCc1ccccc1 34a_100016084084_100015291786 [0,1,1,0,0,0|2,0,0]=4 3416 B12R1.252 C[C@@H](Cl)COCc1cccnc1 34a_100016084084_100000733263 [0,1,1,0,0,0|1,0,0]=3 3417 B12R1.252 C[C@@H](Cl)COCc1cccnn1 34a_100016084084_100016990269 [0,1,1,0,0,0|2,0,0]=4 3418 B12R1.252 C[C@@H](Cl)COCc1cnccn1 34a_100016084084_100016995436 [0,1,1,0,0,0|2,0,0]=4 3419 B12R1.252 C[C@@H](Cl)COCc1cncnc1 34a_100016084084_100015196519 [0,1,1,0,0,0|2,0,0]=4 3420 B12R1.252 C[C@@H](N)COCc1ccccc1 34a_100000737577_100015291786 [0,1,1,0,0,0|2,0,0]=4 3421 B12R1.252 C[C@@H](N)COCc1cccnc1 34a_100000737577_100000733263 [0,1,1,0,0,0|1,0,0]=3 3422 B12R1.252 C[C@@H](N)COCc1cccnn1 34a_100000737577_100016990269 [0,1,1,0,0,0|2,0,0]=4 3423 B12R1.252 C[C@@H](N)COCc1cnccn1 34a_100000737577_100016995436 [0,1,1,0,0,0|2,0,0]=4 3424 B12R1.252 C[C@@H](N)COCc1cncnc1 34a_100000737577_100015196519 [0,1,1,0,0,0|2,0,0]=4 3425 B12R1.252 C[C@@H](O)CNCc1ccccc1 2230a_100015324214_100009817552 [0,1,1,0,0,0|1,0,0]=3 3426 B12R1.252 C[C@@H](O)CNCc1ccccc1 34a_100015324214_100009817552 [0,1,1,0,0,0|1,0,0]=3 3427 B12R1.252 C[C@@H](O)CNCc1cccnn1 2230a_100159270163_100009817552 [0,1,1,0,0,0|1,0,0]=3 3428 B12R1.252 C[C@@H](O)CNCc1cncnc1 2230a_100011243677_100009817552 [0,1,1,0,0,0|1,0,0]=3 3429 B12R1.252 C[C@@H](O)COCc1ccccc1 34a_100000210790_100009817552 [0,1,1,0,0,0|2,0,0]=4 3430 B12R1.252 C[C@@H](O)COCc1ccccc1 7a_100000210790_100009817552 [0,1,1,0,0,0|2,0,0]=4 3431 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100000211182_100009817552 [0,1,1,0,0,0|2,0,0]=4 3432 B12R1.252 C[C@@H](O)CSCc1ccccc1 62a_100009817552_100015291786 [0,1,1,0,0,0|2,0,0]=4 3433 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100000741622_100009817552 [0,1,1,0,0,0|1,0,0]=3 3434 B12R1.252 C[C@@H](O)CSCc1cccnc1 62a_100009817552_100000741622 [0,1,1,0,0,0|1,0,0]=3 3435 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100009817552_100016990269 [0,1,1,0,0,0|2,0,0]=4 3436 B12R1.252 C[C@@H](O)CSCc1cccnn1 62a_100016990269_100009817552 [0,1,1,0,0,0|2,0,0]=4 3437 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100009817552_100016995436 [0,1,1,0,0,0|2,0,0]=4 3438 B12R1.252 C[C@@H](O)CSCc1cnccn1 62a_100016995436_100009817552 [0,1,1,0,0,0|2,0,0]=4 3439 B12R1.252 C[C@@H](O)CSCc1cncnc1 62a_100009817552_100015196519 [0,1,1,0,0,0|2,0,0]=4 3440 B12R1.252 C[C@@H](O)CSCc1cncnc1 62a_100015196519_100009817552 [0,1,1,0,0,0|2,0,0]=4 3441 B12R1.252 FC(F)CNCc1ccccc1 207a_100000765723_100015611070 [0,1,1,0,0,0|2,0,0]=4 3442 B12R1.252 FC(F)CNCc1ccccc1 2230a_100015324214_100011934356 [0,1,1,0,0,0|2,0,0]=4 3443 B12R1.252 FC(F)CNCc1ccccc1 270004a_100000765723_100015611070 [0,1,1,0,0,0|2,0,0]=4 3444 B12R1.252 FC(F)CNCc1ccccc1 34a_100000765723_100015291786 [0,1,1,0,0,0|2,0,0]=4 3445 B12R1.252 FC(F)CNCc1ccccc1 34a_100015324214_100011934356 [0,1,1,0,0,0|2,0,0]=4 3446 B12R1.252 FC(F)CNCc1cccnc1 207a_100000765723_100000209961 [0,1,1,0,0,0|1,0,0]=3 3447 B12R1.252 FC(F)CNCc1cccnc1 270004a_100000765723_100000209961 [0,1,1,0,0,0|1,0,0]=3 3448 B12R1.252 FC(F)CNCc1cccnc1 34a_100000765723_100000733263 [0,1,1,0,0,0|1,0,0]=3 3449 B12R1.252 FC(F)CNCc1cccnn1 2230a_100159270163_100011934356 [0,1,1,0,0,0|2,0,0]=4 3450 B12R1.252 FC(F)CNCc1cccnn1 34a_100000765723_100016990269 [0,1,1,0,0,0|2,0,0]=4 3451 B12R1.252 FC(F)CNCc1ccnnc1 270004a_100000765723_100011934578 [0,1,1,0,0,0|2,0,0]=4 3452 B12R1.252 FC(F)CNCc1cnccn1 270004a_100000765723_100000749867 [0,1,1,0,0,0|2,0,0]=4 3453 B12R1.252 FC(F)CNCc1cnccn1 34a_100000765723_100016995436 [0,1,1,0,0,0|2,0,0]=4 3454 B12R1.252 FC(F)CNCc1cncnc1 2230a_100011243677_100011934356 [0,1,1,0,0,0|2,0,0]=4 3455 B12R1.252 FC(F)CNCc1cncnc1 270004a_100000765723_100000749868 [0,1,1,0,0,0|2,0,0]=4 3456 B12R1.252 FC(F)CNCc1cncnc1 34a_100000765723_100015196519 [0,1,1,0,0,0|2,0,0]=4 3457 B12R1.252 FC(F)COCc1cccnc1 34a_100000743014_100000733263 [0,1,1,0,0,0|2,0,0]=4 3458 B12R1.252 FC(F)CSCc1cccnc1 62a_100000741622_100011934356 [0,1,1,0,0,0|2,0,0]=4 3459 B12R1.252 FC(F)CSCc1cccnc1 62a_100011934356_100000741622 [0,1,1,0,0,0|2,0,0]=4 3460 B12R1.252 NC(=O)CCOc1cccnc1 34a_100000210849_100000731001 [0,1,1,0,0,0|1,0,1]=4 3461 B12R1.252 NC(=O)CCOc1cccnc1 7a_100000210849_100000744528 [0,1,1,0,0,0|1,0,1]=4 3462 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000210063_100000744528 [0,1,1,0,0,0|1,0,1]=4 3463 B12R1.252 NC(=O)CCSc1cccnc1 62a_100000744528_100000210063 [0,1,1,0,0,0|1,0,1]=4 3464 B12R1.252 NC(=O)CNCc1cccnc1 2230a_100000711301_100000741622 [0,1,1,0,0,0|1,0,1]=4 3465 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000741622_100000747473 [0,1,1,0,0,0|1,0,1]=4 3466 B12R1.252 NC(=O)CSCc1cccnc1 62a_100000747473_100000741622 [0,1,1,0,0,0|1,0,1]=4 3467 B12R1.252 O=C(O)CNCc1cccnc1 269956a_100016091260_100000733263 [0,1,1,0,0,0|1,0,1]=4 3468 B12R1.267 BrCCOCc1cccnc1Br 34a_100000211926_100010140945 [0,1,1,0,0,0|2,0,0]=4 3469 B12R1.267 C#CCNCc1cccnc1Br 2230a_100009818023_100000038162 [0,1,1,0,0,0|0,0,2]=4 3470 B12R1.267 C#CCNCc1cccnc1Br 34a_100000212058_100010140945 [0,1,1,0,0,0|0,0,2]=4 3471 B12R1.267 C#CCNCc1cccnc1Br 34a_100009818023_100000184674 [0,1,1,0,0,0|0,0,2]=4 3472 B12R1.267 C#CCNCc1cccnc1C 34a_100000212058_100000732876 [0,1,1,0,0,0|0,0,2]=4 3473 B12R1.267 C#CCNCc1cccnc1Cl 2230a_100015189234_100000038162 [0,1,1,0,0,0|0,0,2]=4 3474 B12R1.267 C#CCNCc1cccnc1Cl 34a_100000212058_100000045678 [0,1,1,0,0,0|0,0,2]=4 3475 B12R1.267 C#CCNCc1cccnc1Cl 34a_100015189234_100000184674 [0,1,1,0,0,0|0,0,2]=4 3476 B12R1.267 C#CCNCc1cccnc1F 34a_100000212058_100000099810 [0,1,1,0,0,0|0,0,2]=4 3477 B12R1.267 C#CCNCc1cccnc1F 34a_100000724633_100000184674 [0,1,1,0,0,0|0,0,2]=4 3478 B12R1.267 C#CCNCc1cnccc1C 34a_100000212058_100000690890 [0,1,1,0,0,0|0,0,2]=4 3479 B12R1.267 C=CCNCc1cccnc1Br 2230a_100009818023_100000210623 [0,1,1,0,0,0|0,0,2]=4 3480 B12R1.267 C=CCNCc1cccnc1Br 2230a_100020586998_100010140945 [0,1,1,0,0,0|0,0,2]=4 3481 B12R1.267 C=CCNCc1cccnc1Br 34a_100009818023_100015514636 [0,1,1,0,0,0|0,0,2]=4 3482 B12R1.267 C=CCNCc1cccnc1C 2230a_100020586998_100000732876 [0,1,1,0,0,0|0,0,2]=4 3483 B12R1.267 C=CCNCc1cccnc1C 270004a_100020586998_100000751968 [0,1,1,0,0,0|0,0,2]=4 3484 B12R1.267 C=CCNCc1cccnc1Cl 2230a_100015189234_100000210623 [0,1,1,0,0,0|0,0,2]=4 3485 B12R1.267 C=CCNCc1cccnc1Cl 2230a_100020586998_100000045678 [0,1,1,0,0,0|0,0,2]=4 3486 B12R1.267 C=CCNCc1cccnc1Cl 34a_100015189234_100015514636 [0,1,1,0,0,0|0,0,2]=4 3487 B12R1.267 C=CCNCc1cccnc1F 2230a_100020586998_100000099810 [0,1,1,0,0,0|0,0,2]=4 3488 B12R1.267 C=CCNCc1cccnc1F 34a_100000724633_100015514636 [0,1,1,0,0,0|0,0,2]=4 3489 B12R1.267 C=CCNCc1cccnc1O 270004a_100020586998_100011998315 [0,1,1,0,0,0|0,0,2]=4 3490 B12R1.267 C=CCNCc1cnccc1Br 270004a_100020586998_100009816821 [0,1,1,0,0,0|0,0,2]=4 3491 B12R1.267 C=CCNCc1cnccc1C 2230a_100020586998_100000690890 [0,1,1,0,0,0|0,0,2]=4 3492 B12R1.267 C=CCNCc1cnccc1C 270004a_100020586998_100000685662 [0,1,1,0,0,0|0,0,2]=4 3493 B12R1.267 C=CCNCc1cnccc1Cl 270004a_100020586998_100000050567 [0,1,1,0,0,0|0,0,2]=4 3494 B12R1.267 CCCC=Cc1cccnc1Br 271570a_100016258520_100010202626 [0,1,1,0,0,0|1,0,1]=4 3495 B12R1.267 CCCC=Cc1cccnc1C 271570a_100016258520_100000751574 [0,1,1,0,0,0|1,0,1]=4 3496 B12R1.267 CCCC=Cc1cccnc1Cl 271570a_100016258520_100000036424 [0,1,1,0,0,0|1,0,1]=4 3497 B12R1.267 CCCC=Cc1cccnc1F 271570a_100016258520_100009816115 [0,1,1,0,0,0|1,0,1]=4 3498 B12R1.267 CCCC=Cc1cccnc1N 271570a_100016258520_100000045569 [0,1,1,0,0,0|1,0,1]=4 3499 B12R1.267 CCCC=Cc1cnccc1Br 271570a_100016258520_100010138639 [0,1,1,0,0,0|1,0,1]=4 3500 B12R1.267 CCCC=Cc1cnccc1C 271570a_100016258520_100000761580 [0,1,1,0,0,0|1,0,1]=4 3501 B12R1.267 CCCC=Cc1cnccc1Cl 271570a_100016258520_100009995489 [0,1,1,0,0,0|1,0,1]=4 3502 B12R1.267 CCCC=Cc1cnccc1F 271570a_100016258520_100009820683 [0,1,1,0,0,0|1,0,1]=4 3503 B12R1.267 CCCC=Cc1cnccc1N 271570a_100016258520_100000047001 [0,1,1,0,0,0|1,0,1]=4 3504 B12R1.267 CCCCOc1cccnc1Br 34a_100000744436_100000210210 [0,1,1,0,0,0|2,0,0]=4 3505 B12R1.267 CCCCOc1cccnc1Br 7a_100000744436_100000210211 [0,1,1,0,0,0|2,0,0]=4 3506 B12R1.267 CCCCOc1cccnc1C 34a_100000745507_100000210210 [0,1,1,0,0,0|2,0,0]=4 3507 B12R1.267 CCCCOc1cccnc1C 7a_100000745507_100000210211 [0,1,1,0,0,0|2,0,0]=4 3508 B12R1.267 CCCCOc1cccnc1Cl 34a_100000757616_100000210210 [0,1,1,0,0,0|2,0,0]=4 3509 B12R1.267 CCCCOc1cccnc1Cl 7a_100000757616_100000210211 [0,1,1,0,0,0|2,0,0]=4 3510 B12R1.267 CCCCOc1cccnc1F 34a_100000061740_100000210210 [0,1,1,0,0,0|2,0,0]=4 3511 B12R1.267 CCCCOc1cccnc1F 7a_100000061740_100000210211 [0,1,1,0,0,0|2,0,0]=4 3512 B12R1.267 CCCCOc1cccnc1I 34a_100000034122_100000210210 [0,1,1,0,0,0|2,0,0]=4 3513 B12R1.267 CCCCOc1cccnc1I 7a_100000034122_100000210211 [0,1,1,0,0,0|2,0,0]=4 3514 B12R1.267 CCCCOc1cccnc1N 34a_100000211975_100000210210 [0,1,1,0,0,0|2,0,0]=4 3515 B12R1.267 CCCCOc1cccnc1N 7a_100000211975_100000210211 [0,1,1,0,0,0|2,0,0]=4 3516 B12R1.267 CCCCOc1cnccc1C 34a_100011997053_100000210210 [0,1,1,0,0,0|2,0,0]=4 3517 B12R1.267 CCCCOc1cnccc1C 7a_100011997053_100000210211 [0,1,1,0,0,0|2,0,0]=4 3518 B12R1.267 CCCCOc1cnccc1Cl 34a_100011996695_100000210210 [0,1,1,0,0,0|2,0,0]=4 3519 B12R1.267 CCCCOc1cnccc1I 34a_100000050107_100000210210 [0,1,1,0,0,0|2,0,0]=4 3520 B12R1.267 CCCCOc1cnccc1N 34a_100000753702_100000210210 [0,1,1,0,0,0|2,0,0]=4 3521 B12R1.267 CCCCSc1cccnc1Br 62a_100000210211_100010202626 [0,1,1,0,0,0|2,0,0]=4 3522 B12R1.267 CCCCSc1cccnc1Br 62a_100010202626_100000210210 [0,1,1,0,0,0|2,0,0]=4 3523 B12R1.267 CCCCSc1cccnc1C 62a_100000210211_100000751574 [0,1,1,0,0,0|2,0,0]=4 3524 B12R1.267 CCCCSc1cccnc1C 62a_100000751574_100000210210 [0,1,1,0,0,0|2,0,0]=4 3525 B12R1.267 CCCCSc1cccnc1Cl 62a_100000036424_100000210210 [0,1,1,0,0,0|2,0,0]=4 3526 B12R1.267 CCCCSc1cccnc1Cl 62a_100000210211_100000036424 [0,1,1,0,0,0|2,0,0]=4 3527 B12R1.267 CCCCSc1cccnc1F 62a_100000210211_100009816115 [0,1,1,0,0,0|2,0,0]=4 3528 B12R1.267 CCCCSc1cccnc1F 62a_100009816115_100000210210 [0,1,1,0,0,0|2,0,0]=4 3529 B12R1.267 CCCCSc1cccnc1N 62a_100000045569_100000210210 [0,1,1,0,0,0|2,0,0]=4 3530 B12R1.267 CCCCSc1cccnc1N 62a_100000210211_100000045569 [0,1,1,0,0,0|2,0,0]=4 3531 B12R1.267 CCCCSc1cccnc1O 62a_100000210211_100000760158 [0,1,1,0,0,0|2,0,0]=4 3532 B12R1.267 CCCCSc1cccnc1O 62a_100000760158_100000210210 [0,1,1,0,0,0|2,0,0]=4 3533 B12R1.267 CCCCSc1cnccc1Br 62a_100000210211_100010138639 [0,1,1,0,0,0|2,0,0]=4 3534 B12R1.267 CCCCSc1cnccc1Br 62a_100010138639_100000210210 [0,1,1,0,0,0|2,0,0]=4 3535 B12R1.267 CCCCSc1cnccc1C 62a_100000210211_100000761580 [0,1,1,0,0,0|2,0,0]=4 3536 B12R1.267 CCCCSc1cnccc1C 62a_100000761580_100000210210 [0,1,1,0,0,0|2,0,0]=4 3537 B12R1.267 CCCCSc1cnccc1Cl 62a_100000210211_100009995489 [0,1,1,0,0,0|2,0,0]=4 3538 B12R1.267 CCCCSc1cnccc1Cl 62a_100009995489_100000210210 [0,1,1,0,0,0|2,0,0]=4 3539 B12R1.267 CCCCSc1cnccc1F 62a_100000210211_100009820683 [0,1,1,0,0,0|2,0,0]=4 3540 B12R1.267 CCCCSc1cnccc1F 62a_100009820683_100000210210 [0,1,1,0,0,0|2,0,0]=4 3541 B12R1.267 CCCCSc1cnccc1N 62a_100000047001_100000210210 [0,1,1,0,0,0|2,0,0]=4 3542 B12R1.267 CCCCSc1cnccc1N 62a_100000210211_100000047001 [0,1,1,0,0,0|2,0,0]=4 3543 B12R1.267 CCCNCc1ccccc1Br 207a_100020643023_100000211189 [0,1,1,0,0,0|1,0,0]=3 3544 B12R1.267 CCCNCc1ccccc1Br 2230a_100000689332_100000210303 [0,1,1,0,0,0|1,0,0]=3 3545 B12R1.267 CCCNCc1ccccc1Br 270004a_100020643023_100000211189 [0,1,1,0,0,0|1,0,0]=3 3546 B12R1.267 CCCNCc1ccccc1Br 34a_100000689332_100000210303 [0,1,1,0,0,0|1,0,0]=3 3547 B12R1.267 CCCNCc1ccccc1C 207a_100020643023_100000211143 [0,1,1,0,0,0|1,0,0]=3 3548 B12R1.267 CCCNCc1ccccc1C 270004a_100020643023_100000211143 [0,1,1,0,0,0|1,0,0]=3 3549 B12R1.267 CCCNCc1ccccc1C 34a_100000174972_100000210303 [0,1,1,0,0,0|1,0,0]=3 3550 B12R1.267 CCCNCc1ccccc1Cl 207a_100020643023_100000210073 [0,1,1,0,0,0|1,0,0]=3 3551 B12R1.267 CCCNCc1ccccc1Cl 2230a_100000174879_100000210303 [0,1,1,0,0,0|1,0,0]=3 3552 B12R1.267 CCCNCc1ccccc1Cl 270004a_100020643023_100000210073 [0,1,1,0,0,0|1,0,0]=3 3553 B12R1.267 CCCNCc1ccccc1Cl 34a_100000174879_100000210303 [0,1,1,0,0,0|1,0,0]=3 3554 B12R1.267 CCCNCc1ccccc1F 207a_100020643023_100000210811 [0,1,1,0,0,0|1,0,0]=3 3555 B12R1.267 CCCNCc1ccccc1F 270004a_100020643023_100000210811 [0,1,1,0,0,0|1,0,0]=3 3556 B12R1.267 CCCNCc1ccccc1F 34a_100000174869_100000210303 [0,1,1,0,0,0|1,0,0]=3 3557 B12R1.267 CCCNCc1ccccc1I 207a_100020643023_100000010305 [0,1,1,0,0,0|1,0,0]=3 3558 B12R1.267 CCCNCc1ccccc1I 270004a_100020643023_100000010305 [0,1,1,0,0,0|1,0,0]=3 3559 B12R1.267 CCCNCc1ccccc1O 271570a_203496583355_100000196483 [0,1,1,0,0,0|1,0,0]=3 3560 B12R1.267 CCCNCc1ccccc1O 34a_100000185550_100000210303 [0,1,1,0,0,0|1,0,0]=3 3561 B12R1.267 CCCNCc1cccnc1Br 2230a_100009818023_100000210303 [0,1,1,0,0,0|0,0,0]=2 3562 B12R1.267 CCCNCc1cccnc1Br 34a_100009818023_100000210303 [0,1,1,0,0,0|0,0,0]=2 3563 B12R1.267 CCCNCc1cccnc1C 207a_100020643023_100000751968 [0,1,1,0,0,0|0,0,0]=2 3564 B12R1.267 CCCNCc1cccnc1C 270004a_100020643023_100000751968 [0,1,1,0,0,0|0,0,0]=2 3565 B12R1.267 CCCNCc1cccnc1Cl 2230a_100015189234_100000210303 [0,1,1,0,0,0|0,0,0]=2 3566 B12R1.267 CCCNCc1cccnc1Cl 34a_100015189234_100000210303 [0,1,1,0,0,0|0,0,0]=2 3567 B12R1.267 CCCNCc1cccnc1F 34a_100000724633_100000210303 [0,1,1,0,0,0|0,0,0]=2 3568 B12R1.267 CCCNCc1cccnc1O 207a_100020643023_100011998315 [0,1,1,0,0,0|0,0,0]=2 3569 B12R1.267 CCCNCc1cccnc1O 270004a_100020643023_100011998315 [0,1,1,0,0,0|0,0,0]=2 3570 B12R1.267 CCCNCc1ccncc1Br 270004a_100020643023_100000755692 [0,1,1,0,0,0|2,0,0]=4 3571 B12R1.267 CCCNCc1ccncc1Cl 207a_100020643023_100011934409 [0,1,1,0,0,0|2,0,0]=4 3572 B12R1.267 CCCNCc1ccncc1Cl 270004a_100020643023_100011934409 [0,1,1,0,0,0|2,0,0]=4 3573 B12R1.267 CCCNCc1ccncc1F 34a_100011935246_100000210303 [0,1,1,0,0,0|2,0,0]=4 3574 B12R1.267 CCCNCc1cnccc1Br 270004a_100020643023_100009816821 [0,1,1,0,0,0|0,0,0]=2 3575 B12R1.267 CCCNCc1cnccc1C 207a_100020643023_100000685662 [0,1,1,0,0,0|0,0,0]=2 3576 B12R1.267 CCCNCc1cnccc1C 270004a_100020643023_100000685662 [0,1,1,0,0,0|0,0,0]=2 3577 B12R1.267 CCCNCc1cnccc1Cl 270004a_100020643023_100000050567 [0,1,1,0,0,0|0,0,0]=2 3578 B12R1.267 CCCNCc1ncccc1Br 207a_100020643023_100011934733 [0,1,1,0,0,0|2,0,0]=4 3579 B12R1.267 CCCNCc1ncccc1Br 270004a_100020643023_100011934733 [0,1,1,0,0,0|2,0,0]=4 3580 B12R1.267 CCCNCc1ncccc1C 207a_100020643023_100000698913 [0,1,1,0,0,0|2,0,0]=4 3581 B12R1.267 CCCNCc1ncccc1C 270004a_100020643023_100000698913 [0,1,1,0,0,0|2,0,0]=4 3582 B12R1.267 CCCNCc1ncccc1C 34a_100011223789_100000210303 [0,1,1,0,0,0|2,0,0]=4 3583 B12R1.267 CCCNCc1ncccc1Cl 207a_100020643023_100012001307 [0,1,1,0,0,0|2,0,0]=4 3584 B12R1.267 CCCNCc1ncccc1Cl 2230a_100015189233_100000210303 [0,1,1,0,0,0|2,0,0]=4 3585 B12R1.267 CCCNCc1ncccc1Cl 270004a_100020643023_100012001307 [0,1,1,0,0,0|2,0,0]=4 3586 B12R1.267 CCCNCc1ncccc1F 207a_100020643023_100011934734 [0,1,1,0,0,0|2,0,0]=4 3587 B12R1.267 CCCNCc1ncccc1F 270004a_100020643023_100011934734 [0,1,1,0,0,0|2,0,0]=4 3588 B12R1.267 CCCNCc1ncccc1F 34a_100000690088_100000210303 [0,1,1,0,0,0|2,0,0]=4 3589 B12R1.267 CCCNCc1nccnc1C 2230a_100020641712_100000210303 [0,1,1,0,0,0|1,0,0]=3 3590 B12R1.267 CCCNCc1nccnc1C 270004a_100020643023_100000050726 [0,1,1,0,0,0|1,0,0]=3 3591 B12R1.267 CCCNCc1nccnc1C 34a_100020641712_100000210303 [0,1,1,0,0,0|1,0,0]=3 3592 B12R1.267 CCCNCc1nccnc1Cl 2230a_100000729963_100000210303 [0,1,1,0,0,0|1,0,0]=3 3593 B12R1.267 CCCOCc1ccccc1Br 34a_100000210258_100000184730 [0,1,1,0,0,0|2,0,0]=4 3594 B12R1.267 CCCOCc1ccccc1Br 34a_100000756307_100000210303 [0,1,1,0,0,0|2,0,0]=4 3595 B12R1.267 CCCOCc1ccccc1Br 7a_100000756307_100000210303 [0,1,1,0,0,0|2,0,0]=4 3596 B12R1.267 CCCOCc1ccccc1C 34a_100000210258_100000211839 [0,1,1,0,0,0|2,0,0]=4 3597 B12R1.267 CCCOCc1ccccc1C 34a_100000698903_100000210303 [0,1,1,0,0,0|2,0,0]=4 3598 B12R1.267 CCCOCc1ccccc1C 7a_100000698903_100000210303 [0,1,1,0,0,0|2,0,0]=4 3599 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210258_100000187162 [0,1,1,0,0,0|2,0,0]=4 3600 B12R1.267 CCCOCc1ccccc1Cl 34a_100000210847_100000210303 [0,1,1,0,0,0|2,0,0]=4 3601 B12R1.267 CCCOCc1ccccc1Cl 7a_100000210847_100000210303 [0,1,1,0,0,0|2,0,0]=4 3602 B12R1.267 CCCOCc1ccccc1F 34a_100000210258_100000211605 [0,1,1,0,0,0|2,0,0]=4 3603 B12R1.267 CCCOCc1ccccc1F 34a_100000211962_100000210303 [0,1,1,0,0,0|2,0,0]=4 3604 B12R1.267 CCCOCc1ccccc1F 7a_100000211962_100000210303 [0,1,1,0,0,0|2,0,0]=4 3605 B12R1.267 CCCOCc1ccccc1I 34a_100000187465_100000210303 [0,1,1,0,0,0|2,0,0]=4 3606 B12R1.267 CCCOCc1ccccc1I 34a_100000210258_100011215278 [0,1,1,0,0,0|2,0,0]=4 3607 B12R1.267 CCCOCc1ccccc1I 7a_100000187465_100000210303 [0,1,1,0,0,0|2,0,0]=4 3608 B12R1.267 CCCOCc1ccccc1N 34a_100000212039_100000210303 [0,1,1,0,0,0|2,0,0]=4 3609 B12R1.267 CCCOCc1cccnc1Br 34a_100000210258_100010140945 [0,1,1,0,0,0|1,0,0]=3 3610 B12R1.267 CCCOCc1cccnc1Br 34a_100000719692_100000210303 [0,1,1,0,0,0|1,0,0]=3 3611 B12R1.267 CCCOCc1cccnc1Br 7a_100000719692_100000210303 [0,1,1,0,0,0|1,0,0]=3 3612 B12R1.267 CCCOCc1cccnc1C 34a_100000210258_100000732876 [0,1,1,0,0,0|1,0,0]=3 3613 B12R1.267 CCCOCc1cccnc1C 34a_100000729262_100000210303 [0,1,1,0,0,0|1,0,0]=3 3614 B12R1.267 CCCOCc1cccnc1C 7a_100000729262_100000210303 [0,1,1,0,0,0|1,0,0]=3 3615 B12R1.267 CCCOCc1cccnc1Cl 34a_100000210258_100000045678 [0,1,1,0,0,0|1,0,0]=3 3616 B12R1.267 CCCOCc1cccnc1Cl 34a_100000748726_100000210303 [0,1,1,0,0,0|1,0,0]=3 3617 B12R1.267 CCCOCc1cccnc1Cl 7a_100000748726_100000210303 [0,1,1,0,0,0|1,0,0]=3 3618 B12R1.267 CCCOCc1cccnc1F 34a_100000079888_100000210303 [0,1,1,0,0,0|1,0,0]=3 3619 B12R1.267 CCCOCc1cccnc1F 34a_100000210258_100000099810 [0,1,1,0,0,0|1,0,0]=3 3620 B12R1.267 CCCOCc1cccnc1F 7a_100000079888_100000210303 [0,1,1,0,0,0|1,0,0]=3 3621 B12R1.267 CCCOCc1cnccc1C 34a_100000210258_100000690890 [0,1,1,0,0,0|1,0,0]=3 3622 B12R1.267 CCCOCc1cnccc1C 34a_100011996381_100000210303 [0,1,1,0,0,0|1,0,0]=3 3623 B12R1.267 CCCOCc1cnccc1Cl 34a_100000117392_100000210303 [0,1,1,0,0,0|1,0,0]=3 3624 B12R1.267 CCCOCc1nccnc1Cl 34a_100000057004_100000210303 [0,1,1,0,0,0|2,0,0]=4 3625 B12R1.267 CCCSCc1ccccc1Br 62a_100000184730_100000210303 [0,1,1,0,0,0|2,0,0]=4 3626 B12R1.267 CCCSCc1ccccc1Br 62a_100000210303_100000184730 [0,1,1,0,0,0|2,0,0]=4 3627 B12R1.267 CCCSCc1ccccc1C 62a_100000210303_100000211839 [0,1,1,0,0,0|2,0,0]=4 3628 B12R1.267 CCCSCc1ccccc1C 62a_100000211839_100000210303 [0,1,1,0,0,0|2,0,0]=4 3629 B12R1.267 CCCSCc1ccccc1Cl 62a_100000187162_100000210303 [0,1,1,0,0,0|2,0,0]=4 3630 B12R1.267 CCCSCc1ccccc1Cl 62a_100000210303_100000187162 [0,1,1,0,0,0|2,0,0]=4 3631 B12R1.267 CCCSCc1ccccc1F 62a_100000210303_100000211605 [0,1,1,0,0,0|2,0,0]=4 3632 B12R1.267 CCCSCc1ccccc1F 62a_100000211605_100000210303 [0,1,1,0,0,0|2,0,0]=4 3633 B12R1.267 CCCSCc1ccccc1I 62a_100000210303_100011216222 [0,1,1,0,0,0|2,0,0]=4 3634 B12R1.267 CCCSCc1ccccc1I 62a_100011216222_100000210303 [0,1,1,0,0,0|2,0,0]=4 3635 B12R1.267 CCCSCc1ccccc1O 271570a_203496583355_200000173363 [0,1,1,0,0,0|2,0,0]=4 3636 B12R1.267 CCCSCc1cccnc1Br 62a_100000210303_100010140945 [0,1,1,0,0,0|1,0,0]=3 3637 B12R1.267 CCCSCc1cccnc1Br 62a_100010140945_100000210303 [0,1,1,0,0,0|1,0,0]=3 3638 B12R1.267 CCCSCc1cccnc1C 62a_100000210303_100000732876 [0,1,1,0,0,0|1,0,0]=3 3639 B12R1.267 CCCSCc1cccnc1C 62a_100000732876_100000210303 [0,1,1,0,0,0|1,0,0]=3 3640 B12R1.267 CCCSCc1cccnc1Cl 62a_100000045678_100000210303 [0,1,1,0,0,0|1,0,0]=3 3641 B12R1.267 CCCSCc1cccnc1Cl 62a_100000210303_100000045678 [0,1,1,0,0,0|1,0,0]=3 3642 B12R1.267 CCCSCc1cccnc1F 62a_100000099810_100000210303 [0,1,1,0,0,0|1,0,0]=3 3643 B12R1.267 CCCSCc1cccnc1F 62a_100000210303_100000099810 [0,1,1,0,0,0|1,0,0]=3 3644 B12R1.267 CCCSCc1cnccc1C 62a_100000210303_100000690890 [0,1,1,0,0,0|1,0,0]=3 3645 B12R1.267 CCCSCc1cnccc1C 62a_100000690890_100000210303 [0,1,1,0,0,0|1,0,0]=3 3646 B12R1.267 COCNCc1ccccc1Br 2230a_100000689332_100000766300 [0,1,1,0,0,0|2,0,0]=4 3647 B12R1.267 COCNCc1ccccc1Cl 2230a_100000174879_100000766300 [0,1,1,0,0,0|2,0,0]=4 3648 B12R1.267 COCNCc1cccnc1Br 2230a_100009818023_100000766300 [0,1,1,0,0,0|1,0,0]=3 3649 B12R1.267 COCNCc1cccnc1Cl 2230a_100015189234_100000766300 [0,1,1,0,0,0|1,0,0]=3 3650 B12R1.267 COCNCc1nccnc1C 2230a_100020641712_100000766300 [0,1,1,0,0,0|2,0,0]=4 3651 B12R1.267 COCNCc1nccnc1Cl 2230a_100000729963_100000766300 [0,1,1,0,0,0|2,0,0]=4 3652 B12R1.267 COCSCc1cccnc1Br 62a_100000766300_100010140945 [0,1,1,0,0,0|2,0,0]=4 3653 B12R1.267 COCSCc1cccnc1Br 62a_100010140945_100000766300 [0,1,1,0,0,0|2,0,0]=4 3654 B12R1.267 COCSCc1cccnc1C 62a_100000732876_100000766300 [0,1,1,0,0,0|2,0,0]=4 3655 B12R1.267 COCSCc1cccnc1C 62a_100000766300_100000732876 [0,1,1,0,0,0|2,0,0]=4 3656 B12R1.267 COCSCc1cccnc1Cl 62a_100000045678_100000766300 [0,1,1,0,0,0|2,0,0]=4 3657 B12R1.267 COCSCc1cccnc1Cl 62a_100000766300_100000045678 [0,1,1,0,0,0|2,0,0]=4 3658 B12R1.267 COCSCc1cccnc1F 62a_100000099810_100000766300 [0,1,1,0,0,0|2,0,0]=4 3659 B12R1.267 COCSCc1cccnc1F 62a_100000766300_100000099810 [0,1,1,0,0,0|2,0,0]=4 3660 B12R1.267 COCSCc1cnccc1C 62a_100000690890_100000766300 [0,1,1,0,0,0|2,0,0]=4 3661 B12R1.267 COCSCc1cnccc1C 62a_100000766300_100000690890 [0,1,1,0,0,0|2,0,0]=4 3662 B12R1.267 CSCNCc1ccccc1Br 2230a_100000689332_100011218213 [0,1,1,0,0,0|2,0,0]=4 3663 B12R1.267 CSCNCc1ccccc1Br 34a_100000689332_100011218213 [0,1,1,0,0,0|2,0,0]=4 3664 B12R1.267 CSCNCc1ccccc1C 34a_100000174972_100011218213 [0,1,1,0,0,0|2,0,0]=4 3665 B12R1.267 CSCNCc1ccccc1Cl 2230a_100000174879_100011218213 [0,1,1,0,0,0|2,0,0]=4 3666 B12R1.267 CSCNCc1ccccc1Cl 34a_100000174879_100011218213 [0,1,1,0,0,0|2,0,0]=4 3667 B12R1.267 CSCNCc1ccccc1F 34a_100000174869_100011218213 [0,1,1,0,0,0|2,0,0]=4 3668 B12R1.267 CSCNCc1ccccc1O 34a_100000185550_100011218213 [0,1,1,0,0,0|2,0,0]=4 3669 B12R1.267 CSCNCc1cccnc1Br 2230a_100009818023_100011218213 [0,1,1,0,0,0|1,0,0]=3 3670 B12R1.267 CSCNCc1cccnc1Br 34a_100009818023_100011218213 [0,1,1,0,0,0|1,0,0]=3 3671 B12R1.267 CSCNCc1cccnc1Cl 2230a_100015189234_100011218213 [0,1,1,0,0,0|1,0,0]=3 3672 B12R1.267 CSCNCc1cccnc1Cl 34a_100015189234_100011218213 [0,1,1,0,0,0|1,0,0]=3 3673 B12R1.267 CSCNCc1cccnc1F 34a_100000724633_100011218213 [0,1,1,0,0,0|1,0,0]=3 3674 B12R1.267 CSCNCc1nccnc1C 2230a_100020641712_100011218213 [0,1,1,0,0,0|2,0,0]=4 3675 B12R1.267 CSCNCc1nccnc1C 34a_100020641712_100011218213 [0,1,1,0,0,0|2,0,0]=4 3676 B12R1.267 CSCNCc1nccnc1Cl 2230a_100000729963_100011218213 [0,1,1,0,0,0|2,0,0]=4 3677 B12R1.267 CSCOCc1cccnc1Br 34a_100000719692_100011218213 [0,1,1,0,0,0|2,0,0]=4 3678 B12R1.267 CSCOCc1cccnc1C 34a_100000729262_100011218213 [0,1,1,0,0,0|2,0,0]=4 3679 B12R1.267 CSCOCc1cccnc1Cl 34a_100000748726_100011218213 [0,1,1,0,0,0|2,0,0]=4 3680 B12R1.267 CSCOCc1cccnc1F 34a_100000079888_100011218213 [0,1,1,0,0,0|2,0,0]=4 3681 B12R1.267 CSCOCc1cnccc1C 34a_100011996381_100011218213 [0,1,1,0,0,0|2,0,0]=4 3682 B12R1.267 CSCOCc1cnccc1Cl 34a_100000117392_100011218213 [0,1,1,0,0,0|2,0,0]=4 3683 B12R1.267 CSCSCc1cccnc1Br 62a_100010140945_100011218213 [0,1,1,0,0,0|2,0,0]=4 3684 B12R1.267 CSCSCc1cccnc1Br 62a_100011218213_100010140945 [0,1,1,0,0,0|2,0,0]=4 3685 B12R1.267 CSCSCc1cccnc1C 62a_100000732876_100011218213 [0,1,1,0,0,0|2,0,0]=4 3686 B12R1.267 CSCSCc1cccnc1C 62a_100011218213_100000732876 [0,1,1,0,0,0|2,0,0]=4 3687 B12R1.267 CSCSCc1cccnc1Cl 62a_100000045678_100011218213 [0,1,1,0,0,0|2,0,0]=4 3688 B12R1.267 CSCSCc1cccnc1Cl 62a_100011218213_100000045678 [0,1,1,0,0,0|2,0,0]=4 3689 B12R1.267 CSCSCc1cccnc1F 62a_100000099810_100011218213 [0,1,1,0,0,0|2,0,0]=4 3690 B12R1.267 CSCSCc1cccnc1F 62a_100011218213_100000099810 [0,1,1,0,0,0|2,0,0]=4 3691 B12R1.267 CSCSCc1cnccc1C 62a_100000690890_100011218213 [0,1,1,0,0,0|2,0,0]=4 3692 B12R1.267 CSCSCc1cnccc1C 62a_100011218213_100000690890 [0,1,1,0,0,0|2,0,0]=4 3693 B12R1.267 Cc1ccccc1CNCCF 34a_100000174972_100011217306 [0,1,1,0,0,0|2,0,0]=4 3694 B12R1.267 Cc1ccccc1CNCCF 34a_100000724931_100000211839 [0,1,1,0,0,0|2,0,0]=4 3695 B12R1.267 Cc1ccccc1CNCCO 207a_100000210304_100000211143 [0,1,1,0,0,0|2,0,0]=4 3696 B12R1.267 Cc1ccccc1CNCCO 2230a_100016997473_100000211839 [0,1,1,0,0,0|2,0,0]=4 3697 B12R1.267 Cc1ccccc1CNCCO 270004a_100000210304_100000211143 [0,1,1,0,0,0|2,0,0]=4 3698 B12R1.267 Cc1ccccc1CNCCO 34a_100000174972_100000211926 [0,1,1,0,0,0|2,0,0]=4 3699 B12R1.267 Cc1ccccc1CNCCO 34a_100016990907_100000211839 [0,1,1,0,0,0|2,0,0]=4 3700 B12R1.267 Cc1ccccc1COCCN 34a_100000210304_100000211839 [0,1,1,0,0,0|2,0,0]=4 3701 B12R1.267 Cc1ccncc1CNCCF 34a_100000724931_100000690890 [0,1,1,0,0,0|1,0,0]=3 3702 B12R1.267 Cc1ccncc1CNCCO 207a_100000210304_100000685662 [0,1,1,0,0,0|1,0,0]=3 3703 B12R1.267 Cc1ccncc1CNCCO 2230a_100016997473_100000690890 [0,1,1,0,0,0|1,0,0]=3 3704 B12R1.267 Cc1ccncc1CNCCO 270004a_100000210304_100000685662 [0,1,1,0,0,0|1,0,0]=3 3705 B12R1.267 Cc1ccncc1CNCCO 34a_100016990907_100000690890 [0,1,1,0,0,0|1,0,0]=3 3706 B12R1.267 Cc1ccncc1COCCBr 34a_100000211926_100000690890 [0,1,1,0,0,0|2,0,0]=4 3707 B12R1.267 Cc1ccncc1COCCF 34a_100011996381_100011217306 [0,1,1,0,0,0|2,0,0]=4 3708 B12R1.267 Cc1ccncc1COCCN 34a_100000210304_100000690890 [0,1,1,0,0,0|1,0,0]=3 3709 B12R1.267 Cc1ccncc1COCCO 34a_100011996381_100000211926 [0,1,1,0,0,0|2,0,0]=4 3710 B12R1.267 Cc1ccncc1CSCCF 62a_100000690890_100011217306 [0,1,1,0,0,0|2,0,0]=4 3711 B12R1.267 Cc1ccncc1CSCCF 62a_100011217306_100000690890 [0,1,1,0,0,0|2,0,0]=4 3712 B12R1.267 Cc1ccncc1CSCCO 62a_100000211926_100000690890 [0,1,1,0,0,0|2,0,0]=4 3713 B12R1.267 Cc1ccncc1CSCCO 62a_100000690890_100000211926 [0,1,1,0,0,0|2,0,0]=4 3714 B12R1.267 Cc1ccncc1OCCCF 34a_100011997053_100011934791 [0,1,1,0,0,0|2,0,0]=4 3715 B12R1.267 Cc1ccncc1OCCCF 7a_100011997053_100011934791 [0,1,1,0,0,0|2,0,0]=4 3716 B12R1.267 Cc1ccncc1OCCCO 34a_100011997053_100000230001 [0,1,1,0,0,0|2,0,0]=4 3717 B12R1.267 Cc1ccncc1OCCCO 7a_100011997053_100011215043 [0,1,1,0,0,0|2,0,0]=4 3718 B12R1.267 Cc1ccncc1SCCCF 62a_100000761580_100011934791 [0,1,1,0,0,0|2,0,0]=4 3719 B12R1.267 Cc1ccncc1SCCCF 62a_100011934791_100000761580 [0,1,1,0,0,0|2,0,0]=4 3720 B12R1.267 Cc1ccncc1SCCCO 62a_100000761580_100011215043 [0,1,1,0,0,0|2,0,0]=4 3721 B12R1.267 Cc1ccncc1SCCCO 62a_100011215043_100000761580 [0,1,1,0,0,0|2,0,0]=4 3722 B12R1.267 Cc1ncccc1CNCCF 34a_100000724931_100000732876 [0,1,1,0,0,0|1,0,0]=3 3723 B12R1.267 Cc1ncccc1CNCCO 207a_100000210304_100000751968 [0,1,1,0,0,0|1,0,0]=3 3724 B12R1.267 Cc1ncccc1CNCCO 2230a_100016997473_100000732876 [0,1,1,0,0,0|1,0,0]=3 3725 B12R1.267 Cc1ncccc1CNCCO 270004a_100000210304_100000751968 [0,1,1,0,0,0|1,0,0]=3 3726 B12R1.267 Cc1ncccc1CNCCO 34a_100016990907_100000732876 [0,1,1,0,0,0|1,0,0]=3 3727 B12R1.267 Cc1ncccc1COCCBr 34a_100000211926_100000732876 [0,1,1,0,0,0|2,0,0]=4 3728 B12R1.267 Cc1ncccc1COCCF 34a_100000729262_100011217306 [0,1,1,0,0,0|2,0,0]=4 3729 B12R1.267 Cc1ncccc1COCCF 7a_100000729262_100011217306 [0,1,1,0,0,0|2,0,0]=4 3730 B12R1.267 Cc1ncccc1COCCN 34a_100000210304_100000732876 [0,1,1,0,0,0|1,0,0]=3 3731 B12R1.267 Cc1ncccc1COCCO 34a_100000729262_100000211926 [0,1,1,0,0,0|2,0,0]=4 3732 B12R1.267 Cc1ncccc1COCCO 7a_100000729262_100000211926 [0,1,1,0,0,0|2,0,0]=4 3733 B12R1.267 Cc1ncccc1CSCCF 62a_100000732876_100011217306 [0,1,1,0,0,0|2,0,0]=4 3734 B12R1.267 Cc1ncccc1CSCCF 62a_100011217306_100000732876 [0,1,1,0,0,0|2,0,0]=4 3735 B12R1.267 Cc1ncccc1CSCCO 62a_100000211926_100000732876 [0,1,1,0,0,0|2,0,0]=4 3736 B12R1.267 Cc1ncccc1CSCCO 62a_100000732876_100000211926 [0,1,1,0,0,0|2,0,0]=4 3737 B12R1.267 Cc1ncccc1OCCCF 34a_100000745507_100011934791 [0,1,1,0,0,0|2,0,0]=4 3738 B12R1.267 Cc1ncccc1OCCCF 7a_100000745507_100011934791 [0,1,1,0,0,0|2,0,0]=4 3739 B12R1.267 Cc1ncccc1OCCCO 34a_100000745507_100000230001 [0,1,1,0,0,0|2,0,0]=4 3740 B12R1.267 Cc1ncccc1OCCCO 7a_100000745507_100011215043 [0,1,1,0,0,0|2,0,0]=4 3741 B12R1.267 Cc1ncccc1SCCCF 62a_100000751574_100011934791 [0,1,1,0,0,0|2,0,0]=4 3742 B12R1.267 Cc1ncccc1SCCCF 62a_100011934791_100000751574 [0,1,1,0,0,0|2,0,0]=4 3743 B12R1.267 Cc1ncccc1SCCCO 62a_100000751574_100011215043 [0,1,1,0,0,0|2,0,0]=4 3744 B12R1.267 Cc1ncccc1SCCCO 62a_100011215043_100000751574 [0,1,1,0,0,0|2,0,0]=4 3745 B12R1.267 Cc1nccnc1CNCCF 2230a_100020641712_100011217306 [0,1,1,0,0,0|2,0,0]=4 3746 B12R1.267 Cc1nccnc1CNCCF 34a_100020641712_100011217306 [0,1,1,0,0,0|2,0,0]=4 3747 B12R1.267 Cc1nccnc1CNCCO 2230a_100020641712_100000211926 [0,1,1,0,0,0|2,0,0]=4 3748 B12R1.267 Cc1nccnc1CNCCO 270004a_100000210304_100000050726 [0,1,1,0,0,0|2,0,0]=4 3749 B12R1.267 Cc1nccnc1CNCCO 34a_100020641712_100000211926 [0,1,1,0,0,0|2,0,0]=4 3750 B12R1.267 Clc1ncccc1COCCBr 34a_100000211926_100000045678 [0,1,1,0,0,0|2,0,0]=4 3751 B12R1.267 FCCCOc1cccnc1Br 34a_100000744436_100011934791 [0,1,1,0,0,0|2,0,0]=4 3752 B12R1.267 FCCCOc1cccnc1Br 7a_100000744436_100011934791 [0,1,1,0,0,0|2,0,0]=4 3753 B12R1.267 FCCCOc1cccnc1Cl 34a_100000757616_100011934791 [0,1,1,0,0,0|2,0,0]=4 3754 B12R1.267 FCCCOc1cccnc1Cl 7a_100000757616_100011934791 [0,1,1,0,0,0|2,0,0]=4 3755 B12R1.267 FCCCOc1cccnc1F 34a_100000061740_100011934791 [0,1,1,0,0,0|2,0,0]=4 3756 B12R1.267 FCCCOc1cccnc1F 7a_100000061740_100011934791 [0,1,1,0,0,0|2,0,0]=4 3757 B12R1.267 FCCCOc1cccnc1I 34a_100000034122_100011934791 [0,1,1,0,0,0|2,0,0]=4 3758 B12R1.267 FCCCOc1cccnc1I 7a_100000034122_100011934791 [0,1,1,0,0,0|2,0,0]=4 3759 B12R1.267 FCCCOc1cnccc1Cl 34a_100011996695_100011934791 [0,1,1,0,0,0|2,0,0]=4 3760 B12R1.267 FCCCOc1cnccc1I 34a_100000050107_100011934791 [0,1,1,0,0,0|2,0,0]=4 3761 B12R1.267 FCCCSc1cccnc1Br 62a_100010202626_100011934791 [0,1,1,0,0,0|2,0,0]=4 3762 B12R1.267 FCCCSc1cccnc1Br 62a_100011934791_100010202626 [0,1,1,0,0,0|2,0,0]=4 3763 B12R1.267 FCCCSc1cccnc1Cl 62a_100000036424_100011934791 [0,1,1,0,0,0|2,0,0]=4 3764 B12R1.267 FCCCSc1cccnc1Cl 62a_100011934791_100000036424 [0,1,1,0,0,0|2,0,0]=4 3765 B12R1.267 FCCCSc1cccnc1F 62a_100009816115_100011934791 [0,1,1,0,0,0|2,0,0]=4 3766 B12R1.267 FCCCSc1cccnc1F 62a_100011934791_100009816115 [0,1,1,0,0,0|2,0,0]=4 3767 B12R1.267 FCCCSc1cnccc1Br 62a_100010138639_100011934791 [0,1,1,0,0,0|2,0,0]=4 3768 B12R1.267 FCCCSc1cnccc1Br 62a_100011934791_100010138639 [0,1,1,0,0,0|2,0,0]=4 3769 B12R1.267 FCCCSc1cnccc1Cl 62a_100009995489_100011934791 [0,1,1,0,0,0|2,0,0]=4 3770 B12R1.267 FCCCSc1cnccc1Cl 62a_100011934791_100009995489 [0,1,1,0,0,0|2,0,0]=4 3771 B12R1.267 FCCCSc1cnccc1F 62a_100009820683_100011934791 [0,1,1,0,0,0|2,0,0]=4 3772 B12R1.267 FCCCSc1cnccc1F 62a_100011934791_100009820683 [0,1,1,0,0,0|2,0,0]=4 3773 B12R1.267 FCCNCc1ccccc1Br 2230a_100000689332_100011217306 [0,1,1,0,0,0|2,0,0]=4 3774 B12R1.267 FCCNCc1ccccc1Br 34a_100000689332_100011217306 [0,1,1,0,0,0|2,0,0]=4 3775 B12R1.267 FCCNCc1ccccc1Br 34a_100000724931_100000184730 [0,1,1,0,0,0|2,0,0]=4 3776 B12R1.267 FCCNCc1ccccc1Cl 2230a_100000174879_100011217306 [0,1,1,0,0,0|2,0,0]=4 3777 B12R1.267 FCCNCc1ccccc1Cl 34a_100000174879_100011217306 [0,1,1,0,0,0|2,0,0]=4 3778 B12R1.267 FCCNCc1ccccc1Cl 34a_100000724931_100000187162 [0,1,1,0,0,0|2,0,0]=4 3779 B12R1.267 FCCNCc1ccccc1F 34a_100000174869_100011217306 [0,1,1,0,0,0|2,0,0]=4 3780 B12R1.267 FCCNCc1ccccc1F 34a_100000724931_100000211605 [0,1,1,0,0,0|2,0,0]=4 3781 B12R1.267 FCCNCc1ccccc1I 34a_100000724931_100011215278 [0,1,1,0,0,0|2,0,0]=4 3782 B12R1.267 FCCNCc1cccnc1Br 2230a_100009818023_100011217306 [0,1,1,0,0,0|1,0,0]=3 3783 B12R1.267 FCCNCc1cccnc1Br 34a_100000724931_100010140945 [0,1,1,0,0,0|1,0,0]=3 3784 B12R1.267 FCCNCc1cccnc1Br 34a_100009818023_100011217306 [0,1,1,0,0,0|1,0,0]=3 3785 B12R1.267 FCCNCc1cccnc1Cl 2230a_100015189234_100011217306 [0,1,1,0,0,0|1,0,0]=3 3786 B12R1.267 FCCNCc1cccnc1Cl 34a_100000724931_100000045678 [0,1,1,0,0,0|1,0,0]=3 3787 B12R1.267 FCCNCc1cccnc1Cl 34a_100015189234_100011217306 [0,1,1,0,0,0|1,0,0]=3 3788 B12R1.267 FCCNCc1cccnc1F 34a_100000724633_100011217306 [0,1,1,0,0,0|1,0,0]=3 3789 B12R1.267 FCCNCc1cccnc1F 34a_100000724931_100000099810 [0,1,1,0,0,0|1,0,0]=3 3790 B12R1.267 FCCNCc1nccnc1Cl 2230a_100000729963_100011217306 [0,1,1,0,0,0|2,0,0]=4 3791 B12R1.267 FCCOCc1cccnc1Br 34a_100000719692_100011217306 [0,1,1,0,0,0|2,0,0]=4 3792 B12R1.267 FCCOCc1cccnc1Br 7a_100000719692_100011217306 [0,1,1,0,0,0|2,0,0]=4 3793 B12R1.267 FCCOCc1cccnc1Cl 34a_100000748726_100011217306 [0,1,1,0,0,0|2,0,0]=4 3794 B12R1.267 FCCOCc1cccnc1Cl 7a_100000748726_100011217306 [0,1,1,0,0,0|2,0,0]=4 3795 B12R1.267 FCCOCc1cccnc1F 34a_100000079888_100011217306 [0,1,1,0,0,0|2,0,0]=4 3796 B12R1.267 FCCOCc1cccnc1F 7a_100000079888_100011217306 [0,1,1,0,0,0|2,0,0]=4 3797 B12R1.267 FCCOCc1cnccc1Cl 34a_100000117392_100011217306 [0,1,1,0,0,0|2,0,0]=4 3798 B12R1.267 FCCSCc1cccnc1Br 62a_100010140945_100011217306 [0,1,1,0,0,0|2,0,0]=4 3799 B12R1.267 FCCSCc1cccnc1Br 62a_100011217306_100010140945 [0,1,1,0,0,0|2,0,0]=4 3800 B12R1.267 FCCSCc1cccnc1Cl 62a_100000045678_100011217306 [0,1,1,0,0,0|2,0,0]=4 3801 B12R1.267 FCCSCc1cccnc1Cl 62a_100011217306_100000045678 [0,1,1,0,0,0|2,0,0]=4 3802 B12R1.267 FCCSCc1cccnc1F 62a_100000099810_100011217306 [0,1,1,0,0,0|2,0,0]=4 3803 B12R1.267 FCCSCc1cccnc1F 62a_100011217306_100000099810 [0,1,1,0,0,0|2,0,0]=4 3804 B12R1.267 Fc1ncccc1COCCBr 34a_100000211926_100000099810 [0,1,1,0,0,0|2,0,0]=4 3805 B12R1.267 N#CCNCc1cccnc1Br 2230a_100009818023_100011215382 [0,1,1,0,0,0|1,0,1]=4 3806 B12R1.267 N#CCNCc1cccnc1Cl 2230a_100015189234_100011215382 [0,1,1,0,0,0|1,0,1]=4 3807 B12R1.267 NCCOCc1ccccc1Br 34a_100000210304_100000184730 [0,1,1,0,0,0|2,0,0]=4 3808 B12R1.267 NCCOCc1ccccc1Cl 34a_100000210304_100000187162 [0,1,1,0,0,0|2,0,0]=4 3809 B12R1.267 NCCOCc1ccccc1F 34a_100000210304_100000211605 [0,1,1,0,0,0|2,0,0]=4 3810 B12R1.267 NCCOCc1ccccc1I 34a_100000210304_100011215278 [0,1,1,0,0,0|2,0,0]=4 3811 B12R1.267 NCCOCc1cccnc1Br 34a_100000210304_100010140945 [0,1,1,0,0,0|1,0,0]=3 3812 B12R1.267 NCCOCc1cccnc1Cl 34a_100000210304_100000045678 [0,1,1,0,0,0|1,0,0]=3 3813 B12R1.267 NCCOCc1cccnc1F 34a_100000210304_100000099810 [0,1,1,0,0,0|1,0,0]=3 3814 B12R1.267 Nc1ccncc1OCCCF 34a_100000753702_100011934791 [0,1,1,0,0,0|2,0,0]=4 3815 B12R1.267 Nc1ccncc1OCCCO 34a_100000753702_100000230001 [0,1,1,0,0,0|2,0,0]=4 3816 B12R1.267 Nc1ccncc1SCCCF 62a_100000047001_100011934791 [0,1,1,0,0,0|2,0,0]=4 3817 B12R1.267 Nc1ccncc1SCCCF 62a_100011934791_100000047001 [0,1,1,0,0,0|2,0,0]=4 3818 B12R1.267 Nc1ccncc1SCCCO 62a_100000047001_100011215043 [0,1,1,0,0,0|2,0,0]=4 3819 B12R1.267 Nc1ccncc1SCCCO 62a_100011215043_100000047001 [0,1,1,0,0,0|2,0,0]=4 3820 B12R1.267 Nc1ncccc1OCCCF 34a_100000211975_100011934791 [0,1,1,0,0,0|2,0,0]=4 3821 B12R1.267 Nc1ncccc1OCCCF 7a_100000211975_100011934791 [0,1,1,0,0,0|2,0,0]=4 3822 B12R1.267 Nc1ncccc1OCCCO 34a_100000211975_100000230001 [0,1,1,0,0,0|2,0,0]=4 3823 B12R1.267 Nc1ncccc1OCCCO 7a_100000211975_100011215043 [0,1,1,0,0,0|2,0,0]=4 3824 B12R1.267 Nc1ncccc1SCCCF 62a_100000045569_100011934791 [0,1,1,0,0,0|2,0,0]=4 3825 B12R1.267 Nc1ncccc1SCCCF 62a_100011934791_100000045569 [0,1,1,0,0,0|2,0,0]=4 3826 B12R1.267 Nc1ncccc1SCCCO 62a_100000045569_100011215043 [0,1,1,0,0,0|2,0,0]=4 3827 B12R1.267 Nc1ncccc1SCCCO 62a_100011215043_100000045569 [0,1,1,0,0,0|2,0,0]=4 3828 B12R1.267 O=CCNCc1cccnc1Br 2230a_100009818023_200015260668 [0,1,1,0,0,0|1,0,1]=4 3829 B12R1.267 O=CCNCc1cccnc1Br 34a_100009818023_200009817547 [0,1,1,0,0,0|1,0,1]=4 3830 B12R1.267 O=CCNCc1cccnc1Cl 2230a_100015189234_200015260668 [0,1,1,0,0,0|1,0,1]=4 3831 B12R1.267 O=CCNCc1cccnc1Cl 34a_100015189234_200009817547 [0,1,1,0,0,0|1,0,1]=4 3832 B12R1.267 O=CCNCc1cccnc1F 34a_100000724633_200009817547 [0,1,1,0,0,0|1,0,1]=4 3833 B12R1.267 OCCCCc1ccccc1O 271570a_203496583355_100012092669 [0,1,1,0,0,0|2,0,0]=4 3834 B12R1.267 OCCCOc1cccnc1Br 34a_100000744436_100000230001 [0,1,1,0,0,0|2,0,0]=4 3835 B12R1.267 OCCCOc1cccnc1Br 7a_100000744436_100011215043 [0,1,1,0,0,0|2,0,0]=4 3836 B12R1.267 OCCCOc1cccnc1Cl 34a_100000757616_100000230001 [0,1,1,0,0,0|2,0,0]=4 3837 B12R1.267 OCCCOc1cccnc1Cl 7a_100000757616_100011215043 [0,1,1,0,0,0|2,0,0]=4 3838 B12R1.267 OCCCOc1cccnc1F 34a_100000061740_100000230001 [0,1,1,0,0,0|2,0,0]=4 3839 B12R1.267 OCCCOc1cccnc1F 7a_100000061740_100011215043 [0,1,1,0,0,0|2,0,0]=4 3840 B12R1.267 OCCCOc1cccnc1I 34a_100000034122_100000230001 [0,1,1,0,0,0|2,0,0]=4 3841 B12R1.267 OCCCOc1cccnc1I 7a_100000034122_100011215043 [0,1,1,0,0,0|2,0,0]=4 3842 B12R1.267 OCCCOc1cnccc1Cl 34a_100011996695_100000230001 [0,1,1,0,0,0|2,0,0]=4 3843 B12R1.267 OCCCOc1cnccc1I 34a_100000050107_100000230001 [0,1,1,0,0,0|2,0,0]=4 3844 B12R1.267 OCCCSc1cccnc1Br 62a_100010202626_100011215043 [0,1,1,0,0,0|2,0,0]=4 3845 B12R1.267 OCCCSc1cccnc1Br 62a_100011215043_100010202626 [0,1,1,0,0,0|2,0,0]=4 3846 B12R1.267 OCCCSc1cccnc1Cl 62a_100000036424_100011215043 [0,1,1,0,0,0|2,0,0]=4 3847 B12R1.267 OCCCSc1cccnc1Cl 62a_100011215043_100000036424 [0,1,1,0,0,0|2,0,0]=4 3848 B12R1.267 OCCCSc1cccnc1F 62a_100009816115_100011215043 [0,1,1,0,0,0|2,0,0]=4 3849 B12R1.267 OCCCSc1cccnc1F 62a_100011215043_100009816115 [0,1,1,0,0,0|2,0,0]=4 3850 B12R1.267 OCCCSc1cccnc1O 62a_100000760158_100011215043 [0,1,1,0,0,0|2,0,0]=4 3851 B12R1.267 OCCCSc1cccnc1O 62a_100011215043_100000760158 [0,1,1,0,0,0|2,0,0]=4 3852 B12R1.267 OCCCSc1cnccc1Br 62a_100010138639_100011215043 [0,1,1,0,0,0|2,0,0]=4 3853 B12R1.267 OCCCSc1cnccc1Br 62a_100011215043_100010138639 [0,1,1,0,0,0|2,0,0]=4 3854 B12R1.267 OCCCSc1cnccc1Cl 62a_100009995489_100011215043 [0,1,1,0,0,0|2,0,0]=4 3855 B12R1.267 OCCCSc1cnccc1Cl 62a_100011215043_100009995489 [0,1,1,0,0,0|2,0,0]=4 3856 B12R1.267 OCCCSc1cnccc1F 62a_100009820683_100011215043 [0,1,1,0,0,0|2,0,0]=4 3857 B12R1.267 OCCCSc1cnccc1F 62a_100011215043_100009820683 [0,1,1,0,0,0|2,0,0]=4 3858 B12R1.267 OCCNCc1ccccc1Br 207a_100000210304_100000211189 [0,1,1,0,0,0|2,0,0]=4 3859 B12R1.267 OCCNCc1ccccc1Br 2230a_100000689332_100000211926 [0,1,1,0,0,0|2,0,0]=4 3860 B12R1.267 OCCNCc1ccccc1Br 2230a_100016997473_100000184730 [0,1,1,0,0,0|2,0,0]=4 3861 B12R1.267 OCCNCc1ccccc1Br 270004a_100000210304_100000211189 [0,1,1,0,0,0|2,0,0]=4 3862 B12R1.267 OCCNCc1ccccc1Br 34a_100000689332_100000211926 [0,1,1,0,0,0|2,0,0]=4 3863 B12R1.267 OCCNCc1ccccc1Br 34a_100016990907_100000184730 [0,1,1,0,0,0|2,0,0]=4 3864 B12R1.267 OCCNCc1ccccc1Cl 207a_100000210304_100000210073 [0,1,1,0,0,0|2,0,0]=4 3865 B12R1.267 OCCNCc1ccccc1Cl 2230a_100000174879_100000211926 [0,1,1,0,0,0|2,0,0]=4 3866 B12R1.267 OCCNCc1ccccc1Cl 2230a_100016997473_100000187162 [0,1,1,0,0,0|2,0,0]=4 3867 B12R1.267 OCCNCc1ccccc1Cl 270004a_100000210304_100000210073 [0,1,1,0,0,0|2,0,0]=4 3868 B12R1.267 OCCNCc1ccccc1Cl 34a_100000174879_100000211926 [0,1,1,0,0,0|2,0,0]=4 3869 B12R1.267 OCCNCc1ccccc1Cl 34a_100016990907_100000187162 [0,1,1,0,0,0|2,0,0]=4 3870 B12R1.267 OCCNCc1ccccc1F 207a_100000210304_100000210811 [0,1,1,0,0,0|2,0,0]=4 3871 B12R1.267 OCCNCc1ccccc1F 2230a_100016997473_100000211605 [0,1,1,0,0,0|2,0,0]=4 3872 B12R1.267 OCCNCc1ccccc1F 270004a_100000210304_100000210811 [0,1,1,0,0,0|2,0,0]=4 3873 B12R1.267 OCCNCc1ccccc1F 34a_100000174869_100000211926 [0,1,1,0,0,0|2,0,0]=4 3874 B12R1.267 OCCNCc1ccccc1F 34a_100016990907_100000211605 [0,1,1,0,0,0|2,0,0]=4 3875 B12R1.267 OCCNCc1ccccc1I 207a_100000210304_100000010305 [0,1,1,0,0,0|2,0,0]=4 3876 B12R1.267 OCCNCc1ccccc1I 2230a_100016997473_100011215278 [0,1,1,0,0,0|2,0,0]=4 3877 B12R1.267 OCCNCc1ccccc1I 270004a_100000210304_100000010305 [0,1,1,0,0,0|2,0,0]=4 3878 B12R1.267 OCCNCc1ccccc1I 34a_100016990907_100011215278 [0,1,1,0,0,0|2,0,0]=4 3879 B12R1.267 OCCNCc1ccccc1O 271570a_203496583355_106744479749 [0,1,1,0,0,0|2,0,0]=4 3880 B12R1.267 OCCNCc1ccccc1O 34a_100000185550_100000211926 [0,1,1,0,0,0|2,0,0]=4 3881 B12R1.267 OCCNCc1cccnc1Br 2230a_100009818023_100000211926 [0,1,1,0,0,0|1,0,0]=3 3882 B12R1.267 OCCNCc1cccnc1Br 2230a_100016997473_100010140945 [0,1,1,0,0,0|1,0,0]=3 3883 B12R1.267 OCCNCc1cccnc1Br 34a_100009818023_100000211926 [0,1,1,0,0,0|1,0,0]=3 3884 B12R1.267 OCCNCc1cccnc1Br 34a_100016990907_100010140945 [0,1,1,0,0,0|1,0,0]=3 3885 B12R1.267 OCCNCc1cccnc1Cl 2230a_100015189234_100000211926 [0,1,1,0,0,0|1,0,0]=3 3886 B12R1.267 OCCNCc1cccnc1Cl 2230a_100016997473_100000045678 [0,1,1,0,0,0|1,0,0]=3 3887 B12R1.267 OCCNCc1cccnc1Cl 34a_100015189234_100000211926 [0,1,1,0,0,0|1,0,0]=3 3888 B12R1.267 OCCNCc1cccnc1Cl 34a_100016990907_100000045678 [0,1,1,0,0,0|1,0,0]=3 3889 B12R1.267 OCCNCc1cccnc1F 2230a_100016997473_100000099810 [0,1,1,0,0,0|1,0,0]=3 3890 B12R1.267 OCCNCc1cccnc1F 34a_100000724633_100000211926 [0,1,1,0,0,0|1,0,0]=3 3891 B12R1.267 OCCNCc1cccnc1F 34a_100016990907_100000099810 [0,1,1,0,0,0|1,0,0]=3 3892 B12R1.267 OCCNCc1cccnc1O 207a_100000210304_100011998315 [0,1,1,0,0,0|1,0,0]=3 3893 B12R1.267 OCCNCc1cccnc1O 270004a_100000210304_100011998315 [0,1,1,0,0,0|1,0,0]=3 3894 B12R1.267 OCCNCc1cnccc1Br 270004a_100000210304_100009816821 [0,1,1,0,0,0|1,0,0]=3 3895 B12R1.267 OCCNCc1cnccc1Cl 270004a_100000210304_100000050567 [0,1,1,0,0,0|1,0,0]=3 3896 B12R1.267 OCCNCc1nccnc1Cl 2230a_100000729963_100000211926 [0,1,1,0,0,0|2,0,0]=4 3897 B12R1.267 OCCOCc1cccnc1Br 34a_100000719692_100000211926 [0,1,1,0,0,0|2,0,0]=4 3898 B12R1.267 OCCOCc1cccnc1Br 7a_100000719692_100000211926 [0,1,1,0,0,0|2,0,0]=4 3899 B12R1.267 OCCOCc1cccnc1Cl 34a_100000748726_100000211926 [0,1,1,0,0,0|2,0,0]=4 3900 B12R1.267 OCCOCc1cccnc1Cl 7a_100000748726_100000211926 [0,1,1,0,0,0|2,0,0]=4 3901 B12R1.267 OCCOCc1cccnc1F 34a_100000079888_100000211926 [0,1,1,0,0,0|2,0,0]=4 3902 B12R1.267 OCCOCc1cccnc1F 7a_100000079888_100000211926 [0,1,1,0,0,0|2,0,0]=4 3903 B12R1.267 OCCOCc1cnccc1Cl 34a_100000117392_100000211926 [0,1,1,0,0,0|2,0,0]=4 3904 B12R1.267 OCCSCc1cccnc1Br 62a_100000211926_100010140945 [0,1,1,0,0,0|2,0,0]=4 3905 B12R1.267 OCCSCc1cccnc1Br 62a_100010140945_100000211926 [0,1,1,0,0,0|2,0,0]=4 3906 B12R1.267 OCCSCc1cccnc1Cl 62a_100000045678_100000211926 [0,1,1,0,0,0|2,0,0]=4 3907 B12R1.267 OCCSCc1cccnc1Cl 62a_100000211926_100000045678 [0,1,1,0,0,0|2,0,0]=4 3908 B12R1.267 OCCSCc1cccnc1F 62a_100000099810_100000211926 [0,1,1,0,0,0|2,0,0]=4 3909 B12R1.267 OCCSCc1cccnc1F 62a_100000211926_100000099810 [0,1,1,0,0,0|2,0,0]=4 3910 B12R1.267 Oc1ccccc1CNCCF 34a_100000185550_100011217306 [0,1,1,0,0,0|2,0,0]=4 3911 B12R1.267 Oc1ncccc1SCCCF 62a_100000760158_100011934791 [0,1,1,0,0,0|2,0,0]=4 3912 B12R1.267 Oc1ncccc1SCCCF 62a_100011934791_100000760158 [0,1,1,0,0,0|2,0,0]=4 3913 B12R2.6 Oc1cnn(c1)C2CCCC2 271570a_203496583355_100012073187 [0,1,0,0,1,0|2,0,0]=4 3914 B12R2.10 CN1CCCC1c2ccco2 2230a_100011206061_200000210301 [0,1,0,0,1,0|1,0,0]=3 3915 B12R2.10 CN1CCCC1c2ccco2 269982a_100011206061_200000210301 [0,1,0,0,1,0|1,0,0]=3 3916 B12R2.10 CN1CCCC1c2cccs2 2230a_100000185107_200000210301 [0,1,0,0,1,0|1,0,0]=3 3917 B12R2.10 CN1CCCC1c2cccs2 269982a_100000185107_200000210301 [0,1,0,0,1,0|1,0,0]=3 3918 B12R2.10 CN1CCCC1c2cccs2 34a_100000185107_200000210301 [0,1,0,0,1,0|1,0,0]=3 3919 B12R2.10 CN1CCCC1c2ncc[nH]2 2230a_100000696250_200000210301 [0,1,0,0,1,0|1,0,0]=3 3920 B12R2.10 CN1CCCC1c2ncc[nH]2 269982a_100000696250_200000210301 [0,1,0,0,1,0|1,0,0]=3 3921 B12R2.10 CN1CCCC1c2nccs2 2230a_100102564405_200000210301 [0,1,0,0,1,0|1,0,0]=3 3922 B12R2.10 CN1CCCC1c2nccs2 269982a_100102564405_200000210301 [0,1,0,0,1,0|1,0,0]=3 3923 B12R2.10 [13CH3]N1CCCC1c2ccco2 2230a_100011206061_200025704644 [0,1,0,0,1,0|1,0,0]=3 3924 B12R2.10 [13CH3]N1CCCC1c2ccco2 269982a_100011206061_200025704644 [0,1,0,0,1,0|1,0,0]=3 3925 B12R2.10 [13CH3]N1CCCC1c2cccs2 2230a_100000185107_200025704644 [0,1,0,0,1,0|1,0,0]=3 3926 B12R2.10 [13CH3]N1CCCC1c2cccs2 269982a_100000185107_200025704644 [0,1,0,0,1,0|1,0,0]=3 3927 B12R2.10 [13CH3]N1CCCC1c2cccs2 34a_100000185107_200025704644 [0,1,0,0,1,0|1,0,0]=3 3928 B12R2.10 [13CH3]N1CCCC1c2ncc[nH]2 2230a_100000696250_200025704644 [0,1,0,0,1,0|1,0,0]=3 3929 B12R2.10 [13CH3]N1CCCC1c2ncc[nH]2 269982a_100000696250_200025704644 [0,1,0,0,1,0|1,0,0]=3 3930 B12R2.10 [13CH3]N1CCCC1c2nccs2 2230a_100102564405_200025704644 [0,1,0,0,1,0|1,0,0]=3 3931 B12R2.10 [13CH3]N1CCCC1c2nccs2 269982a_100102564405_200025704644 [0,1,0,0,1,0|1,0,0]=3 3932 B12R2.22 CC1CN(C1)c2cccnn2 27a_100000702820_100016991348 [0,1,0,0,1,0|2,0,0]=4 3933 B12R2.22 CC1CN(C1)c2cnccn2 27a_100000702820_100000211759 [0,1,0,0,1,0|2,0,0]=4 3934 B12R2.22 CN1CC(C1)c2cccnc2 269982a_100015183634_200000210301 [0,1,0,0,1,0|1,0,0]=3 3935 B12R2.22 FC1CN(C1)c2cccnn2 27a_100000690557_100016991348 [0,1,0,0,1,0|2,0,0]=4 3936 B12R2.22 FC1CN(C1)c2cnccn2 27a_100000690557_100000211759 [0,1,0,0,1,0|2,0,0]=4 3937 B12R2.22 OC1CN(C1)c2cccnn2 27a_100000749847_100016991348 [0,1,0,0,1,0|2,0,0]=4 3938 B12R2.22 OC1CN(C1)c2cnccn2 27a_100000749847_100000211759 [0,1,0,0,1,0|2,0,0]=4 3939 B12R2.22 [13CH3]N1CC(C1)c2cccnc2 269982a_100015183634_200025704644 [0,1,0,0,1,0|1,0,0]=3 3940 B12R2.23 CC1CCN1c2cccnn2 27a_100000755817_100016991348 [0,1,0,0,1,0|2,0,0]=4 3941 B12R2.23 CC1CCN1c2cnccn2 27a_100000755817_100000211759 [0,1,0,0,1,0|2,0,0]=4 3942 B12R2.23 CN1CCC1c2ccccc2 2230a_100000739605_200000210301 [0,1,0,0,1,0|1,0,0]=3 3943 B12R2.23 CN1CCC1c2ccccc2 269982a_100000739605_200000210301 [0,1,0,0,1,0|1,0,0]=3 3944 B12R2.23 [13CH3]N1CCC1c2ccccc2 2230a_100000739605_200025704644 [0,1,0,0,1,0|1,0,0]=3 3945 B12R2.23 [13CH3]N1CCC1c2ccccc2 269982a_100000739605_200025704644 [0,1,0,0,1,0|1,0,0]=3 3946 B12R2.517 Cc1ccnnc1N2CCC2 27a_100000754969_100000089043 [0,1,0,0,1,0|2,0,0]=4 3947 B12R2.517 Cc1nccnc1N2CCC2 27a_100000754969_100011999405 [0,1,0,0,1,0|2,0,0]=4 3948 B12R2.517 Fc1nccnc1N2CCC2 27a_100000754969_200010125657 [0,1,0,0,1,0|2,0,0]=4 3949 B12R2.2302 Brc1cnc(cn1)N2CCC2 27a_100000754969_100010187541 [0,1,0,0,1,0|2,0,0]=4 3950 B12R2.2302 Cc1ccc(nn1)N2CCC2 27a_100000754969_100000744512 [0,1,0,0,1,0|2,0,0]=4 3951 B12R2.2302 Cc1cnc(cn1)N2CCC2 27a_100000754969_100000074397 [0,1,0,0,1,0|2,0,0]=4 3952 B12R2.2302 Fc1cnc(cn1)N2CCC2 27a_100000754969_100009856528 [0,1,0,0,1,0|2,0,0]=4 3953 B12R2.2302 Oc1ccc(cc1)C2CCC2 271570a_203496583355_200010114027 [0,1,0,0,1,0|1,0,0]=3 3954 B12R2.2302 Oc1ccc(cc1)C2COC2 271570a_203496583355_100010732642 [0,1,0,0,1,0|2,0,0]=4 3955 B12R2.2313 Cc1cncc(n1)N2CCC2 27a_100000754969_100000754123 [0,1,0,0,1,0|2,0,0]=4 3956 B12R2.2313 Cc1cnnc(c1)N2CCC2 27a_100000754969_100000070100 [0,1,0,0,1,0|2,0,0]=4 3957 B12R2.2313 Clc1cncc(n1)N2CCC2 27a_100000754969_100010892449 [0,1,0,0,1,0|2,0,0]=4 3958 B12R2.2313 Fc1cncc(n1)N2CCC2 27a_100000754969_200009863489 [0,1,0,0,1,0|2,0,0]=4 3959 B14R2.21 Brc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000728054 [0,1,0,0,0,1|1,0,1]=4 3960 B14R2.21 Brc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000728054 [0,1,0,0,0,1|1,0,1]=4 3961 B14R2.21 Brc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000728054 [0,1,0,0,0,1|1,0,1]=4 3962 B14R2.21 Brc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000728054 [0,1,0,0,0,1|1,0,1]=4 3963 B14R2.21 Brc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000728054 [0,1,0,0,0,1|1,0,1]=4 3964 B14R2.21 Brc1cncc(c1)C2=COCCC2 271570a_100010175576_100000728054 [0,1,0,0,0,1|1,0,1]=4 3965 B14R2.21 CN1CCCC(C1)c2ccccc2 2230a_100011236195_200000210301 [0,1,0,0,0,1|1,0,0]=3 3966 B14R2.21 CN1CCCC(C1)c2ccccc2 269982a_100011236195_200000210301 [0,1,0,0,0,1|1,0,0]=3 3967 B14R2.21 CN1CCCC(C1)c2ccccc2 34a_100011236195_200000210301 [0,1,0,0,0,1|1,0,0]=3 3968 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200000210301 [0,1,0,0,0,1|2,0,0]=4 3969 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200000210301 [0,1,0,0,0,1|2,0,0]=4 3970 B14R2.21 CN1CCO[C@H](C1)c2ccccc2 34a_100009815478_200000210301 [0,1,0,0,0,1|2,0,0]=4 3971 B14R2.21 Cc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000760492 [0,1,0,0,0,1|1,0,1]=4 3972 B14R2.21 Cc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000760492 [0,1,0,0,0,1|1,0,1]=4 3973 B14R2.21 Cc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000760492 [0,1,0,0,0,1|1,0,1]=4 3974 B14R2.21 Cc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000760492 [0,1,0,0,0,1|1,0,1]=4 3975 B14R2.21 Cc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000760492 [0,1,0,0,0,1|1,0,1]=4 3976 B14R2.21 Cc1cncc(c1)C2=COCCC2 271570a_100010175576_100000760492 [0,1,0,0,0,1|1,0,1]=4 3977 B14R2.21 Clc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000049639 [0,1,0,0,0,1|1,0,1]=4 3978 B14R2.21 Clc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000049639 [0,1,0,0,0,1|1,0,1]=4 3979 B14R2.21 Clc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000049639 [0,1,0,0,0,1|1,0,1]=4 3980 B14R2.21 Clc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000049639 [0,1,0,0,0,1|1,0,1]=4 3981 B14R2.21 Clc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000049639 [0,1,0,0,0,1|1,0,1]=4 3982 B14R2.21 Clc1cncc(c1)C2=COCCC2 271570a_100010175576_100000049639 [0,1,0,0,0,1|1,0,1]=4 3983 B14R2.21 Fc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000744099 [0,1,0,0,0,1|1,0,1]=4 3984 B14R2.21 Fc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000744099 [0,1,0,0,0,1|1,0,1]=4 3985 B14R2.21 Fc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000744099 [0,1,0,0,0,1|1,0,1]=4 3986 B14R2.21 Fc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000744099 [0,1,0,0,0,1|1,0,1]=4 3987 B14R2.21 Fc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000744099 [0,1,0,0,0,1|1,0,1]=4 3988 B14R2.21 Fc1cncc(c1)C2=COCCC2 271570a_100010175576_100000744099 [0,1,0,0,0,1|1,0,1]=4 3989 B14R2.21 Nc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000687067 [0,1,0,0,0,1|1,0,1]=4 3990 B14R2.21 Nc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000687067 [0,1,0,0,0,1|1,0,1]=4 3991 B14R2.21 Nc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000687067 [0,1,0,0,0,1|1,0,1]=4 3992 B14R2.21 Nc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000687067 [0,1,0,0,0,1|1,0,1]=4 3993 B14R2.21 Nc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000687067 [0,1,0,0,0,1|1,0,1]=4 3994 B14R2.21 Nc1cncc(c1)C2=COCCC2 271570a_100010175576_100000687067 [0,1,0,0,0,1|1,0,1]=4 3995 B14R2.21 O=C1C=C(CCC1)c2cccnc2 271570a_100000723966_100000752921 [0,1,0,0,0,1|1,0,1]=4 3996 B14R2.21 Oc1cccc(c1)C2CCNCC2 271570a_203496583355_100000726733 [0,1,0,0,0,1|2,0,0]=4 3997 B14R2.21 Oc1cccc(c1)C2OCCCO2 271570a_203496583355_100000752065 [0,1,0,0,0,1|2,0,0]=4 3998 B14R2.21 Oc1cncc(c1)C2=CCCCC2 271570a_100000062251_100000754920 [0,1,0,0,0,1|1,0,1]=4 3999 B14R2.21 Oc1cncc(c1)C2=CCCCO2 271570a_100010177797_100000754920 [0,1,0,0,0,1|1,0,1]=4 4000 B14R2.21 Oc1cncc(c1)C2=CCNCC2 271570a_100000731432_100000754920 [0,1,0,0,0,1|1,0,1]=4 4001 B14R2.21 Oc1cncc(c1)C2=CCOCC2 271570a_100000070234_100000754920 [0,1,0,0,0,1|1,0,1]=4 4002 B14R2.21 Oc1cncc(c1)C2=CCSCC2 271570a_100010232141_100000754920 [0,1,0,0,0,1|1,0,1]=4 4003 B14R2.21 Oc1cncc(c1)C2=COCCC2 271570a_100010175576_100000754920 [0,1,0,0,0,1|1,0,1]=4 4004 B14R2.21 Oc1cncc(c1)N2CCNCC2 271570a_203496583355_102495364777 [0,1,0,0,0,1|2,0,0]=4 4005 B14R2.21 Oc1cncc(c1)N2CCOCC2 271570a_203496583355_100011949866 [0,1,0,0,0,1|2,0,0]=4 4006 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 2230a_100011236195_200025704644 [0,1,0,0,0,1|1,0,0]=3 4007 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 269982a_100011236195_200025704644 [0,1,0,0,0,1|1,0,0]=3 4008 B14R2.21 [13CH3]N1CCCC(C1)c2ccccc2 34a_100011236195_200025704644 [0,1,0,0,0,1|1,0,0]=3 4009 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 2230a_100009815478_200025704644 [0,1,0,0,0,1|2,0,0]=4 4010 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 269982a_100009815478_200025704644 [0,1,0,0,0,1|2,0,0]=4 4011 B14R2.21 [13CH3]N1CCO[C@H](C1)c2ccccc2 34a_100009815478_200025704644 [0,1,0,0,0,1|2,0,0]=4 4012 B14R2.24 Brc1ccncc1C2=CCCCC2 271570a_100000062251_100010138639 [0,1,0,0,0,1|1,0,1]=4 4013 B14R2.24 Brc1ccncc1C2=CCCCO2 271570a_100010177797_100010138639 [0,1,0,0,0,1|1,0,1]=4 4014 B14R2.24 Brc1ccncc1C2=CCNCC2 271570a_100000731432_100010138639 [0,1,0,0,0,1|1,0,1]=4 4015 B14R2.24 Brc1ccncc1C2=CCOCC2 271570a_100000070234_100010138639 [0,1,0,0,0,1|1,0,1]=4 4016 B14R2.24 Brc1ccncc1C2=CCSCC2 271570a_100010232141_100010138639 [0,1,0,0,0,1|1,0,1]=4 4017 B14R2.24 Brc1ccncc1C2=COCCC2 271570a_100010175576_100010138639 [0,1,0,0,0,1|1,0,1]=4 4018 B14R2.24 Brc1ncccc1C2=CCCCC2 271570a_100000062251_100010202626 [0,1,0,0,0,1|1,0,1]=4 4019 B14R2.24 Brc1ncccc1C2=CCCCO2 271570a_100010177797_100010202626 [0,1,0,0,0,1|1,0,1]=4 4020 B14R2.24 Brc1ncccc1C2=CCNCC2 271570a_100000731432_100010202626 [0,1,0,0,0,1|1,0,1]=4 4021 B14R2.24 Brc1ncccc1C2=CCOCC2 271570a_100000070234_100010202626 [0,1,0,0,0,1|1,0,1]=4 4022 B14R2.24 Brc1ncccc1C2=CCSCC2 271570a_100010232141_100010202626 [0,1,0,0,0,1|1,0,1]=4 4023 B14R2.24 Brc1ncccc1C2=COCCC2 271570a_100010175576_100010202626 [0,1,0,0,0,1|1,0,1]=4 4024 B14R2.24 CN1CC=CCC1c2cccnc2 2230a_100000065465_200000210301 [0,1,0,0,0,1|0,0,1]=3 4025 B14R2.24 CN1CC=CCC1c2cccnc2 269982a_100000065465_200000210301 [0,1,0,0,0,1|0,0,1]=3 4026 B14R2.24 CN1CCCCC1c2ccccc2 2230a_100000707174_200000210301 [0,1,0,0,0,1|1,0,0]=3 4027 B14R2.24 CN1CCCCC1c2ccccc2 269982a_100000707174_200000210301 [0,1,0,0,0,1|1,0,0]=3 4028 B14R2.24 CN1CCCCC1c2ccccc2 34a_100000707174_200000210301 [0,1,0,0,0,1|1,0,0]=3 4029 B14R2.24 CN1CCCCC1c2ccccn2 2230a_100015185292_200000210301 [0,1,0,0,0,1|2,0,0]=4 4030 B14R2.24 CN1CCCCC1c2ccccn2 269982a_100015185292_200000210301 [0,1,0,0,0,1|2,0,0]=4 4031 B14R2.24 CN1CCCCC1c2cccnc2 2230a_100000723942_200000210301 [0,1,0,0,0,1|0,0,0]=2 4032 B14R2.24 CN1CCCCC1c2cccnc2 269982a_100000723942_200000210301 [0,1,0,0,0,1|0,0,0]=2 4033 B14R2.24 CN1CCOCC1c2ccccc2 2230a_100000765270_200000210301 [0,1,0,0,0,1|1,0,0]=3 4034 B14R2.24 CN1CCOCC1c2ccccc2 269982a_100000765270_200000210301 [0,1,0,0,0,1|1,0,0]=3 4035 B14R2.24 CN1CCOCC1c2ccccc2 34a_100000765270_200000210301 [0,1,0,0,0,1|1,0,0]=3 4036 B14R2.24 CN1CCSCC1c2ccccc2 2230a_102495339932_200000210301 [0,1,0,0,0,1|1,0,0]=3 4037 B14R2.24 CN1CCSCC1c2ccccc2 269982a_102495339932_200000210301 [0,1,0,0,0,1|1,0,0]=3 4038 B14R2.24 CN1CCSCC1c2ccccc2 7a_102495339932_200000210301 [0,1,0,0,0,1|1,0,0]=3 4039 B14R2.24 Cc1ccncc1C2=CCCCC2 271570a_100000062251_100000761580 [0,1,0,0,0,1|1,0,1]=4 4040 B14R2.24 Cc1ccncc1C2=CCCCO2 271570a_100010177797_100000761580 [0,1,0,0,0,1|1,0,1]=4 4041 B14R2.24 Cc1ccncc1C2=CCNCC2 271570a_100000731432_100000761580 [0,1,0,0,0,1|1,0,1]=4 4042 B14R2.24 Cc1ccncc1C2=CCOCC2 271570a_100000070234_100000761580 [0,1,0,0,0,1|1,0,1]=4 4043 B14R2.24 Cc1ccncc1C2=CCSCC2 271570a_100010232141_100000761580 [0,1,0,0,0,1|1,0,1]=4 4044 B14R2.24 Cc1ccncc1C2=COCCC2 271570a_100010175576_100000761580 [0,1,0,0,0,1|1,0,1]=4 4045 B14R2.24 Cc1ncccc1C2=CCCCC2 271570a_100000062251_100000751574 [0,1,0,0,0,1|1,0,1]=4 4046 B14R2.24 Cc1ncccc1C2=CCCCO2 271570a_100010177797_100000751574 [0,1,0,0,0,1|1,0,1]=4 4047 B14R2.24 Cc1ncccc1C2=CCNCC2 271570a_100000731432_100000751574 [0,1,0,0,0,1|1,0,1]=4 4048 B14R2.24 Cc1ncccc1C2=CCOCC2 271570a_100000070234_100000751574 [0,1,0,0,0,1|1,0,1]=4 4049 B14R2.24 Cc1ncccc1C2=CCSCC2 271570a_100010232141_100000751574 [0,1,0,0,0,1|1,0,1]=4 4050 B14R2.24 Cc1ncccc1C2=COCCC2 271570a_100010175576_100000751574 [0,1,0,0,0,1|1,0,1]=4 4051 B14R2.24 Clc1ccncc1C2=CCCCC2 271570a_100000062251_100009995489 [0,1,0,0,0,1|1,0,1]=4 4052 B14R2.24 Clc1ccncc1C2=CCCCO2 271570a_100010177797_100009995489 [0,1,0,0,0,1|1,0,1]=4 4053 B14R2.24 Clc1ccncc1C2=CCNCC2 271570a_100000731432_100009995489 [0,1,0,0,0,1|1,0,1]=4 4054 B14R2.24 Clc1ccncc1C2=CCOCC2 271570a_100000070234_100009995489 [0,1,0,0,0,1|1,0,1]=4 4055 B14R2.24 Clc1ccncc1C2=CCSCC2 271570a_100010232141_100009995489 [0,1,0,0,0,1|1,0,1]=4 4056 B14R2.24 Clc1ccncc1C2=COCCC2 271570a_100010175576_100009995489 [0,1,0,0,0,1|1,0,1]=4 4057 B14R2.24 Clc1ncccc1C2=CCCCC2 271570a_100000062251_100000036424 [0,1,0,0,0,1|1,0,1]=4 4058 B14R2.24 Clc1ncccc1C2=CCCCO2 271570a_100010177797_100000036424 [0,1,0,0,0,1|1,0,1]=4 4059 B14R2.24 Clc1ncccc1C2=CCNCC2 271570a_100000731432_100000036424 [0,1,0,0,0,1|1,0,1]=4 4060 B14R2.24 Clc1ncccc1C2=CCOCC2 271570a_100000070234_100000036424 [0,1,0,0,0,1|1,0,1]=4 4061 B14R2.24 Clc1ncccc1C2=CCSCC2 271570a_100010232141_100000036424 [0,1,0,0,0,1|1,0,1]=4 4062 B14R2.24 Clc1ncccc1C2=COCCC2 271570a_100010175576_100000036424 [0,1,0,0,0,1|1,0,1]=4 4063 B14R2.24 Fc1ccncc1C2=CCCCC2 271570a_100000062251_100009820683 [0,1,0,0,0,1|1,0,1]=4 4064 B14R2.24 Fc1ccncc1C2=CCCCO2 271570a_100010177797_100009820683 [0,1,0,0,0,1|1,0,1]=4 4065 B14R2.24 Fc1ccncc1C2=CCNCC2 271570a_100000731432_100009820683 [0,1,0,0,0,1|1,0,1]=4 4066 B14R2.24 Fc1ccncc1C2=CCOCC2 271570a_100000070234_100009820683 [0,1,0,0,0,1|1,0,1]=4 4067 B14R2.24 Fc1ccncc1C2=CCSCC2 271570a_100010232141_100009820683 [0,1,0,0,0,1|1,0,1]=4 4068 B14R2.24 Fc1ccncc1C2=COCCC2 271570a_100010175576_100009820683 [0,1,0,0,0,1|1,0,1]=4 4069 B14R2.24 Fc1ncccc1C2=CCCCC2 271570a_100000062251_100009816115 [0,1,0,0,0,1|1,0,1]=4 4070 B14R2.24 Fc1ncccc1C2=CCCCO2 271570a_100010177797_100009816115 [0,1,0,0,0,1|1,0,1]=4 4071 B14R2.24 Fc1ncccc1C2=CCNCC2 271570a_100000731432_100009816115 [0,1,0,0,0,1|1,0,1]=4 4072 B14R2.24 Fc1ncccc1C2=CCOCC2 271570a_100000070234_100009816115 [0,1,0,0,0,1|1,0,1]=4 4073 B14R2.24 Fc1ncccc1C2=CCSCC2 271570a_100010232141_100009816115 [0,1,0,0,0,1|1,0,1]=4 4074 B14R2.24 Fc1ncccc1C2=COCCC2 271570a_100010175576_100009816115 [0,1,0,0,0,1|1,0,1]=4 4075 B14R2.24 Nc1ccncc1C2=CCCCC2 271570a_100000062251_100000047001 [0,1,0,0,0,1|1,0,1]=4 4076 B14R2.24 Nc1ccncc1C2=CCCCO2 271570a_100010177797_100000047001 [0,1,0,0,0,1|1,0,1]=4 4077 B14R2.24 Nc1ccncc1C2=CCNCC2 271570a_100000731432_100000047001 [0,1,0,0,0,1|1,0,1]=4 4078 B14R2.24 Nc1ccncc1C2=CCOCC2 271570a_100000070234_100000047001 [0,1,0,0,0,1|1,0,1]=4 4079 B14R2.24 Nc1ccncc1C2=CCSCC2 271570a_100010232141_100000047001 [0,1,0,0,0,1|1,0,1]=4 4080 B14R2.24 Nc1ccncc1C2=COCCC2 271570a_100010175576_100000047001 [0,1,0,0,0,1|1,0,1]=4 4081 B14R2.24 Nc1ncccc1C2=CCCCC2 271570a_100000062251_100000045569 [0,1,0,0,0,1|1,0,1]=4 4082 B14R2.24 Nc1ncccc1C2=CCCCO2 271570a_100010177797_100000045569 [0,1,0,0,0,1|1,0,1]=4 4083 B14R2.24 Nc1ncccc1C2=CCNCC2 271570a_100000731432_100000045569 [0,1,0,0,0,1|1,0,1]=4 4084 B14R2.24 Nc1ncccc1C2=CCOCC2 271570a_100000070234_100000045569 [0,1,0,0,0,1|1,0,1]=4 4085 B14R2.24 Nc1ncccc1C2=CCSCC2 271570a_100010232141_100000045569 [0,1,0,0,0,1|1,0,1]=4 4086 B14R2.24 Nc1ncccc1C2=COCCC2 271570a_100010175576_100000045569 [0,1,0,0,0,1|1,0,1]=4 4087 B14R2.24 Oc1ccccc1C2CCCCC2 271570a_203496583355_200009813743 [0,1,0,0,0,1|2,0,0]=4 4088 B14R2.24 Oc1ccccc1C2CCCCN2 271570a_203496583355_100010004825 [0,1,0,0,0,1|1,0,0]=3 4089 B14R2.24 Oc1ccccc1C2CNCCN2 271570a_203496583355_200010178367 [0,1,0,0,0,1|1,0,0]=3 4090 B14R2.24 [13CH3]N1CC=CCC1c2cccnc2 2230a_100000065465_200025704644 [0,1,0,0,0,1|0,0,1]=3 4091 B14R2.24 [13CH3]N1CC=CCC1c2cccnc2 269982a_100000065465_200025704644 [0,1,0,0,0,1|0,0,1]=3 4092 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 2230a_100000707174_200025704644 [0,1,0,0,0,1|1,0,0]=3 4093 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 269982a_100000707174_200025704644 [0,1,0,0,0,1|1,0,0]=3 4094 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 34a_100000707174_200025704644 [0,1,0,0,0,1|1,0,0]=3 4095 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 2230a_100015185292_200025704644 [0,1,0,0,0,1|2,0,0]=4 4096 B14R2.24 [13CH3]N1CCCCC1c2ccccn2 269982a_100015185292_200025704644 [0,1,0,0,0,1|2,0,0]=4 4097 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 2230a_100000723942_200025704644 [0,1,0,0,0,1|0,0,0]=2 4098 B14R2.24 [13CH3]N1CCCCC1c2cccnc2 269982a_100000723942_200025704644 [0,1,0,0,0,1|0,0,0]=2 4099 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 2230a_100000765270_200025704644 [0,1,0,0,0,1|1,0,0]=3 4100 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 269982a_100000765270_200025704644 [0,1,0,0,0,1|1,0,0]=3 4101 B14R2.24 [13CH3]N1CCOCC1c2ccccc2 34a_100000765270_200025704644 [0,1,0,0,0,1|1,0,0]=3 4102 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 2230a_102495339932_200025704644 [0,1,0,0,0,1|1,0,0]=3 4103 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 269982a_102495339932_200025704644 [0,1,0,0,0,1|1,0,0]=3 4104 B14R2.24 [13CH3]N1CCSCC1c2ccccc2 7a_102495339932_200025704644 [0,1,0,0,0,1|1,0,0]=3 4105 B14R2.68 Brc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100009814638 [0,1,0,0,0,1|1,0,1]=4 4106 B14R2.68 Brc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100009814638 [0,1,0,0,0,1|1,0,1]=4 4107 B14R2.68 Brc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100009814638 [0,1,0,0,0,1|1,0,1]=4 4108 B14R2.68 Brc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100009814638 [0,1,0,0,0,1|1,0,1]=4 4109 B14R2.68 Brc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100009814638 [0,1,0,0,0,1|1,0,1]=4 4110 B14R2.68 Brc1ccc(cn1)C2=COCCC2 271570a_100010175576_100009814638 [0,1,0,0,0,1|1,0,1]=4 4111 B14R2.68 CC1CC=C(CC1)c2cccnc2 271570a_100010240233_100000752921 [0,1,0,0,0,1|1,0,1]=4 4112 B14R2.68 CN1CCC(CC1)c2ccccc2 2230a_100000736203_200000210301 [0,1,0,0,0,1|2,0,0]=4 4113 B14R2.68 CN1CCC(CC1)c2ccccc2 269982a_100000736203_200000210301 [0,1,0,0,0,1|2,0,0]=4 4114 B14R2.68 CN1CCC(CC1)c2ccccc2 34a_100000736203_200000210301 [0,1,0,0,0,1|2,0,0]=4 4115 B14R2.68 CN1CCN(CC1)c2cccnc2 2230a_100011360377_200000210301 [0,1,0,0,0,1|2,0,0]=4 4116 B14R2.68 CN1CCN(CC1)c2cccnc2 269982a_100011360377_200000210301 [0,1,0,0,0,1|2,0,0]=4 4117 B14R2.68 Cc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000751577 [0,1,0,0,0,1|1,0,1]=4 4118 B14R2.68 Cc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000751577 [0,1,0,0,0,1|1,0,1]=4 4119 B14R2.68 Cc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100000751577 [0,1,0,0,0,1|1,0,1]=4 4120 B14R2.68 Cc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100000751577 [0,1,0,0,0,1|1,0,1]=4 4121 B14R2.68 Cc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100000751577 [0,1,0,0,0,1|1,0,1]=4 4122 B14R2.68 Cc1ccc(cn1)C2=COCCC2 271570a_100010175576_100000751577 [0,1,0,0,0,1|1,0,1]=4 4123 B14R2.68 Clc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000034144 [0,1,0,0,0,1|1,0,1]=4 4124 B14R2.68 Clc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000034144 [0,1,0,0,0,1|1,0,1]=4 4125 B14R2.68 Clc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100000034144 [0,1,0,0,0,1|1,0,1]=4 4126 B14R2.68 Clc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100000034144 [0,1,0,0,0,1|1,0,1]=4 4127 B14R2.68 Clc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100000034144 [0,1,0,0,0,1|1,0,1]=4 4128 B14R2.68 Clc1ccc(cn1)C2=COCCC2 271570a_100010175576_100000034144 [0,1,0,0,0,1|1,0,1]=4 4129 B14R2.68 Fc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000748661 [0,1,0,0,0,1|1,0,1]=4 4130 B14R2.68 Fc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000748661 [0,1,0,0,0,1|1,0,1]=4 4131 B14R2.68 Fc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100000748661 [0,1,0,0,0,1|1,0,1]=4 4132 B14R2.68 Fc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100000748661 [0,1,0,0,0,1|1,0,1]=4 4133 B14R2.68 Fc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100000748661 [0,1,0,0,0,1|1,0,1]=4 4134 B14R2.68 Fc1ccc(cn1)C2=COCCC2 271570a_100010175576_100000748661 [0,1,0,0,0,1|1,0,1]=4 4135 B14R2.68 Nc1ccc(cn1)C2=CCCCC2 271570a_100000062251_100000187370 [0,1,0,0,0,1|1,0,1]=4 4136 B14R2.68 Nc1ccc(cn1)C2=CCCCO2 271570a_100010177797_100000187370 [0,1,0,0,0,1|1,0,1]=4 4137 B14R2.68 Nc1ccc(cn1)C2=CCNCC2 271570a_100000731432_100000187370 [0,1,0,0,0,1|1,0,1]=4 4138 B14R2.68 Nc1ccc(cn1)C2=CCOCC2 271570a_100000070234_100000187370 [0,1,0,0,0,1|1,0,1]=4 4139 B14R2.68 Nc1ccc(cn1)C2=CCSCC2 271570a_100010232141_100000187370 [0,1,0,0,0,1|1,0,1]=4 4140 B14R2.68 Nc1ccc(cn1)C2=COCCC2 271570a_100010175576_100000187370 [0,1,0,0,0,1|1,0,1]=4 4141 B14R2.68 OC1CC=C(CC1)c2cccnc2 271570a_100010254553_100000752921 [0,1,0,0,0,1|1,0,1]=4 4142 B14R2.68 Oc1ccc(cc1)C2CCCCC2 271570a_203496583355_100011217854 [0,1,0,0,0,1|2,0,0]=4 4143 B14R2.68 Oc1ccc(cc1)C2CCCCN2 271570a_203496583355_100010004824 [0,1,0,0,0,1|1,0,0]=3 4144 B14R2.68 Oc1ccc(cc1)C2CCNCC2 271570a_203496583355_100000727425 [0,1,0,0,0,1|2,0,0]=4 4145 B14R2.68 Oc1ccc(cc1)C2CCOCC2 271570a_203496583355_100010167726 [0,1,0,0,0,1|2,0,0]=4 4146 B14R2.68 Oc1ccc(cc1)C2CNCCN2 271570a_203496583355_100010163160 [0,1,0,0,0,1|1,0,0]=3 4147 B14R2.68 Oc1ccc(cc1)C2CNCCO2 271570a_203496583355_100000745233 [0,1,0,0,0,1|2,0,0]=4 4148 B14R2.68 Oc1ccc(cc1)[C@@H]2CCCNC2 271570a_203496583355_106439422950 [0,1,0,0,0,1|1,0,0]=3 4149 B14R2.68 Oc1ccc(cn1)N2CCCCC2 271570a_203496583355_100010246967 [0,1,0,0,0,1|2,0,0]=4 4150 B14R2.68 Oc1ccc(cn1)N2CCOCC2 271570a_203496583355_100009815499 [0,1,0,0,0,1|2,0,0]=4 4151 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 2230a_100000736203_200025704644 [0,1,0,0,0,1|2,0,0]=4 4152 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 269982a_100000736203_200025704644 [0,1,0,0,0,1|2,0,0]=4 4153 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 34a_100000736203_200025704644 [0,1,0,0,0,1|2,0,0]=4 4154 B14R2.68 [13CH3]N1CCN(CC1)c2cccnc2 2230a_100011360377_200025704644 [0,1,0,0,0,1|2,0,0]=4 4155 B14R2.68 [13CH3]N1CCN(CC1)c2cccnc2 269982a_100011360377_200025704644 [0,1,0,0,0,1|2,0,0]=4 4156 B14R2.19 CN1CCC(C1)Oc2cccnc2 7a_100000210849_200012183744 [0,1,0,0,0,1|2,0,0]=4 4157 B14R2.19 CN1CCC(C1)Sc2cccnc2 62a_100000210063_200012183744 [0,1,0,0,0,1|2,0,0]=4 4158 B14R2.19 C[C@@H]1CCN(C1)Cc2cccnc2 2230a_100016987628_100000741622 [0,1,0,0,0,1|2,0,0]=4 4159 B14R2.19 C[C@@H]1CCN(C1)Cc2cccnc2 269982a_100016987628_100000733263 [0,1,0,0,0,1|2,0,0]=4 4160 B14R2.19 C[C@@H]1CCN(C1)Cc2cccnc2 270004a_100016987628_100000209961 [0,1,0,0,0,1|2,0,0]=4 4161 B14R2.19 C[C@@H]1CCN(C1)Cc2cccnc2 34a_100016987628_100000733263 [0,1,0,0,0,1|2,0,0]=4 4162 B14R2.19 F[C@H]1CCN(C1)Cc2cccnc2 2230a_100015203821_100000741622 [0,1,0,0,0,1|2,0,0]=4 4163 B14R2.19 F[C@H]1CCN(C1)Cc2cccnc2 269982a_100015203821_100000733263 [0,1,0,0,0,1|2,0,0]=4 4164 B14R2.19 F[C@H]1CCN(C1)Cc2cccnc2 270004a_100015203821_100000209961 [0,1,0,0,0,1|2,0,0]=4 4165 B14R2.19 F[C@H]1CCN(C1)Cc2cccnc2 34a_100015203821_100000733263 [0,1,0,0,0,1|2,0,0]=4 4166 B14R2.19 OC1CCN(C1)Cc2cccnc2 2230a_100011215560_100000741622 [0,1,0,0,0,1|2,0,0]=4 4167 B14R2.19 OC1CCN(C1)Cc2cccnc2 269982a_100011215560_100000733263 [0,1,0,0,0,1|2,0,0]=4 4168 B14R2.19 OC1CCN(C1)Cc2cccnc2 270004a_100011215560_100000209961 [0,1,0,0,0,1|2,0,0]=4 4169 B14R2.19 O[C@@H]1CC[C@@H](C1)Nc2cccnn2 27a_100015195300_100016991348 [0,1,0,0,0,1|2,0,0]=4 4170 B14R2.19 O[C@@H]1CC[C@@H](C1)Nc2cnccn2 27a_100015195300_100000211759 [0,1,0,0,0,1|2,0,0]=4 4171 B14R2.30 CN1CCCC1Cc2ccccc2 2230a_100159249835_200000210301 [0,1,0,0,0,1|1,0,0]=3 4172 B14R2.30 CN1CCCC1Cc2ccccc2 269982a_100159249835_200000210301 [0,1,0,0,0,1|1,0,0]=3 4173 B14R2.30 CN1CCCC1Cc2ccccc2 34a_100159249835_200000210301 [0,1,0,0,0,1|1,0,0]=3 4174 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 2230a_100015189458_100000741622 [0,1,0,0,0,1|2,0,0]=4 4175 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 269982a_100015189458_100000733263 [0,1,0,0,0,1|2,0,0]=4 4176 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 270004a_100015189458_100000209961 [0,1,0,0,0,1|2,0,0]=4 4177 B14R2.30 C[C@@H]1CCCN1Cc2cccnc2 34a_100015189458_100000733263 [0,1,0,0,0,1|2,0,0]=4 4178 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 2230a_100020605311_100000741622 [0,1,0,0,0,1|2,0,0]=4 4179 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 269982a_100020605311_100000733263 [0,1,0,0,0,1|2,0,0]=4 4180 B14R2.30 C[C@H]1CCCN1Cc2cccnc2 270004a_100020605311_100000209961 [0,1,0,0,0,1|2,0,0]=4 4181 B14R2.30 O=C1CCCC1Nc2ccccc2 34a_100000106764_100000709159 [0,1,0,0,0,1|2,0,0]=4 4182 B14R2.30 O=C1CCCC1Oc2ccccc2 34a_100000210340_100000709159 [0,1,0,0,0,1|2,0,0]=4 4183 B14R2.30 O=C1CCCC1Oc2ccccc2 7a_100000210340_100000211823 [0,1,0,0,0,1|2,0,0]=4 4184 B14R2.30 O=C1CCCC1Oc2cccnc2 34a_100000210849_100000709159 [0,1,0,0,0,1|1,0,0]=3 4185 B14R2.30 O=C1CCCC1Oc2cccnc2 7a_100000210849_100000211823 [0,1,0,0,0,1|1,0,0]=3 4186 B14R2.30 O=C1CCCC1Oc2ccnnc2 34a_100015204005_100000709159 [0,1,0,0,0,1|2,0,0]=4 4187 B14R2.30 O=C1CCCC1Oc2cncnc2 7a_100000754086_100000211823 [0,1,0,0,0,1|2,0,0]=4 4188 B14R2.30 O=C1CCCC1Sc2ccccc2 62a_100000211823_100000041952 [0,1,0,0,0,1|2,0,0]=4 4189 B14R2.30 O=C1CCCC1Sc2ccccc2 62a_100000719477_100000211823 [0,1,0,0,0,1|2,0,0]=4 4190 B14R2.30 O=C1CCCC1Sc2cccnc2 62a_100000210063_100000211823 [0,1,0,0,0,1|1,0,0]=3 4191 B14R2.30 O=C1CCCC1Sc2cccnc2 62a_100000211823_100000210063 [0,1,0,0,0,1|1,0,0]=3 4192 B14R2.30 O=C1CCCC1Sc2cccnn2 62a_100000211823_100016991348 [0,1,0,0,0,1|2,0,0]=4 4193 B14R2.30 O=C1CCCC1Sc2cccnn2 62a_100016991348_100000211823 [0,1,0,0,0,1|2,0,0]=4 4194 B14R2.30 O=C1CCCC1Sc2ccnnc2 62a_100000211823_100000732662 [0,1,0,0,0,1|2,0,0]=4 4195 B14R2.30 O=C1CCCC1Sc2ccnnc2 62a_100000732662_100000211823 [0,1,0,0,0,1|2,0,0]=4 4196 B14R2.30 O=C1CCCC1Sc2cnccn2 62a_100000211759_100000211823 [0,1,0,0,0,1|2,0,0]=4 4197 B14R2.30 O=C1CCCC1Sc2cnccn2 62a_100000211823_100000211759 [0,1,0,0,0,1|2,0,0]=4 4198 B14R2.30 O=C1CCCC1Sc2cncnc2 62a_100000211823_100011206942 [0,1,0,0,0,1|2,0,0]=4 4199 B14R2.30 O=C1CCCC1Sc2cncnc2 62a_100011206942_100000211823 [0,1,0,0,0,1|2,0,0]=4 4200 B14R2.30 O=C1OCCC1Oc2cccnc2 34a_100000210849_100000211211 [0,1,0,0,0,1|2,0,0]=4 4201 B14R2.30 O=C1OCCC1Oc2cccnc2 7a_100000210849_100000211211 [0,1,0,0,0,1|2,0,0]=4 4202 B14R2.30 O=C1OCCC1Sc2cccnc2 62a_100000210063_100000211211 [0,1,0,0,0,1|2,0,0]=4 4203 B14R2.30 O=C1OCCC1Sc2cccnc2 62a_100000211211_100000210063 [0,1,0,0,0,1|2,0,0]=4 4204 B14R2.30 OC1COCC1Oc2cccnc2 34a_100000210849_200000725654 [0,1,0,0,0,1|2,0,0]=4 4205 B14R2.30 OC1COCC1Oc2cccnc2 7a_100000210849_200000725654 [0,1,0,0,0,1|2,0,0]=4 4206 B14R2.30 OC1COCC1Sc2cccnc2 62a_100000210063_200000725654 [0,1,0,0,0,1|2,0,0]=4 4207 B14R2.30 OC1COCC1Sc2cccnc2 62a_200000725654_100000210063 [0,1,0,0,0,1|2,0,0]=4 4208 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccc2 62a_100000719477_200016002552 [0,1,0,0,0,1|2,0,0]=4 4209 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccccc2 62a_200016002552_100000041952 [0,1,0,0,0,1|2,0,0]=4 4210 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnc2 62a_100000210063_200016002552 [0,1,0,0,0,1|1,0,0]=3 4211 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnc2 62a_200016002552_100000210063 [0,1,0,0,0,1|1,0,0]=3 4212 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnn2 62a_100016991348_200016002552 [0,1,0,0,0,1|2,0,0]=4 4213 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cccnn2 62a_200016002552_100016991348 [0,1,0,0,0,1|2,0,0]=4 4214 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccnnc2 62a_100000732662_200016002552 [0,1,0,0,0,1|2,0,0]=4 4215 B14R2.30 O[C@@H]1CCC[C@H]1Sc2ccnnc2 62a_200016002552_100000732662 [0,1,0,0,0,1|2,0,0]=4 4216 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cnccn2 62a_100000211759_200016002552 [0,1,0,0,0,1|2,0,0]=4 4217 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cnccn2 62a_200016002552_100000211759 [0,1,0,0,0,1|2,0,0]=4 4218 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cncnc2 62a_100011206942_200016002552 [0,1,0,0,0,1|2,0,0]=4 4219 B14R2.30 O[C@@H]1CCC[C@H]1Sc2cncnc2 62a_200016002552_100011206942 [0,1,0,0,0,1|2,0,0]=4 4220 B14R2.30 O[C@H]1CCC[C@@H]1Nc2cccnn2 27a_100000748460_100016991348 [0,1,0,0,0,1|2,0,0]=4 4221 B14R2.30 O[C@H]1CCC[C@@H]1Nc2cnccn2 27a_100000748460_100000211759 [0,1,0,0,0,1|2,0,0]=4 4222 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 2230a_100159249835_200025704644 [0,1,0,0,0,1|1,0,0]=3 4223 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 269982a_100159249835_200025704644 [0,1,0,0,0,1|1,0,0]=3 4224 B14R2.30 [13CH3]N1CCCC1Cc2ccccc2 34a_100159249835_200025704644 [0,1,0,0,0,1|1,0,0]=3 4225 B14R2.50 Brc1ccccc1NC2CCCC2 34a_100000210017_100000179811 [0,1,0,0,0,1|2,0,0]=4 4226 B14R2.50 Brc1ccccc1OC2CCCC2 34a_100000181306_100000179811 [0,1,0,0,0,1|2,0,0]=4 4227 B14R2.50 Brc1ccccc1OC2CCCC2 7a_100000181306_100000179811 [0,1,0,0,0,1|2,0,0]=4 4228 B14R2.50 Brc1ccccc1SC2CCCC2 62a_100000695589_100000179811 [0,1,0,0,0,1|2,0,0]=4 4229 B14R2.50 Brc1ccccc1SC2CCCC2 62a_100011217020_100000695589 [0,1,0,0,0,1|2,0,0]=4 4230 B14R2.50 Brc1ccncc1C=C2CCCC2 271570a_100010378317_100010138639 [0,1,0,0,0,1|1,0,1]=4 4231 B14R2.50 Brc1ccncc1CN2CCCC2 270004a_100000188435_100009816821 [0,1,0,0,0,1|2,0,0]=4 4232 B14R2.50 Brc1ccncc1SC2CCCC2 62a_100010138639_100000179811 [0,1,0,0,0,1|1,0,0]=3 4233 B14R2.50 Brc1ccncc1SC2CCCC2 62a_100011217020_100010138639 [0,1,0,0,0,1|1,0,0]=3 4234 B14R2.50 Brc1ccncc1SC2CCOC2 62a_100010138639_100000690089 [0,1,0,0,0,1|2,0,0]=4 4235 B14R2.50 Brc1ncccc1C=C2CCCC2 271570a_100010378317_100010202626 [0,1,0,0,0,1|1,0,1]=4 4236 B14R2.50 Brc1ncccc1CN2CCCC2 2230a_100000188435_100010140945 [0,1,0,0,0,1|2,0,0]=4 4237 B14R2.50 Brc1ncccc1CN2CCCC2 269982a_100000188435_100010140945 [0,1,0,0,0,1|2,0,0]=4 4238 B14R2.50 Brc1ncccc1OC2CCCC2 34a_100000744436_100000179811 [0,1,0,0,0,1|1,0,0]=3 4239 B14R2.50 Brc1ncccc1OC2CCCC2 7a_100000744436_100000179811 [0,1,0,0,0,1|1,0,0]=3 4240 B14R2.50 Brc1ncccc1OC2CCOC2 34a_100000744436_100000690089 [0,1,0,0,0,1|2,0,0]=4 4241 B14R2.50 Brc1ncccc1OC2CCOC2 7a_100000744436_100000731011 [0,1,0,0,0,1|2,0,0]=4 4242 B14R2.50 Brc1ncccc1SC2CCCC2 62a_100010202626_100000179811 [0,1,0,0,0,1|1,0,0]=3 4243 B14R2.50 Brc1ncccc1SC2CCCC2 62a_100011217020_100010202626 [0,1,0,0,0,1|1,0,0]=3 4244 B14R2.50 Brc1ncccc1SC2CCOC2 62a_100010202626_100000690089 [0,1,0,0,0,1|2,0,0]=4 4245 B14R2.50 Brc1ncncc1SC2CCCC2 62a_100011217020_200012461658 [0,1,0,0,0,1|2,0,0]=4 4246 B14R2.50 Brc1ncncc1SC2CCCC2 62a_200012461658_100000179811 [0,1,0,0,0,1|2,0,0]=4 4247 B14R2.50 Cc1ccccc1NC2CCCC2 34a_100015192222_100000179811 [0,1,0,0,0,1|2,0,0]=4 4248 B14R2.50 Cc1ccccc1OC2CCCC2 34a_100000210338_100000179811 [0,1,0,0,0,1|2,0,0]=4 4249 B14R2.50 Cc1ccccc1OC2CCCC2 7a_100000210338_100000179811 [0,1,0,0,0,1|2,0,0]=4 4250 B14R2.50 Cc1ccccc1SC2CCCC2 62a_100000210755_100000179811 [0,1,0,0,0,1|2,0,0]=4 4251 B14R2.50 Cc1ccccc1SC2CCCC2 62a_100011217020_100000210755 [0,1,0,0,0,1|2,0,0]=4 4252 B14R2.50 Cc1ccncc1C=C2CCCC2 271570a_100010378317_100000761580 [0,1,0,0,0,1|1,0,1]=4 4253 B14R2.50 Cc1ccncc1CN2CCCC2 2230a_100000188435_100000690890 [0,1,0,0,0,1|2,0,0]=4 4254 B14R2.50 Cc1ccncc1CN2CCCC2 269982a_100000188435_100000690890 [0,1,0,0,0,1|2,0,0]=4 4255 B14R2.50 Cc1ccncc1CN2CCCC2 270004a_100000188435_100000685662 [0,1,0,0,0,1|2,0,0]=4 4256 B14R2.50 Cc1ccncc1OC2CCCC2 34a_100011997053_100000179811 [0,1,0,0,0,1|1,0,0]=3 4257 B14R2.50 Cc1ccncc1OC2CCCC2 7a_100011997053_100000179811 [0,1,0,0,0,1|1,0,0]=3 4258 B14R2.50 Cc1ccncc1OC2CCOC2 34a_100011997053_100000690089 [0,1,0,0,0,1|2,0,0]=4 4259 B14R2.50 Cc1ccncc1OC2CCOC2 7a_100011997053_100000731011 [0,1,0,0,0,1|2,0,0]=4 4260 B14R2.50 Cc1ccncc1SC2CCCC2 62a_100000761580_100000179811 [0,1,0,0,0,1|1,0,0]=3 4261 B14R2.50 Cc1ccncc1SC2CCCC2 62a_100011217020_100000761580 [0,1,0,0,0,1|1,0,0]=3 4262 B14R2.50 Cc1ccncc1SC2CCOC2 62a_100000761580_100000690089 [0,1,0,0,0,1|2,0,0]=4 4263 B14R2.50 Cc1ccnnc1NC2CCCC2 27a_100000211070_100000089043 [0,1,0,0,0,1|2,0,0]=4 4264 B14R2.50 Cc1ccnnc1SC2CCCC2 62a_100011217020_100000089043 [0,1,0,0,0,1|2,0,0]=4 4265 B14R2.50 Cc1ncccc1C=C2CCCC2 271570a_100010378317_100000751574 [0,1,0,0,0,1|1,0,1]=4 4266 B14R2.50 Cc1ncccc1CN2CCCC2 2230a_100000188435_100000732876 [0,1,0,0,0,1|2,0,0]=4 4267 B14R2.50 Cc1ncccc1CN2CCCC2 269982a_100000188435_100000732876 [0,1,0,0,0,1|2,0,0]=4 4268 B14R2.50 Cc1ncccc1CN2CCCC2 270004a_100000188435_100000751968 [0,1,0,0,0,1|2,0,0]=4 4269 B14R2.50 Cc1ncccc1OC2CCCC2 34a_100000745507_100000179811 [0,1,0,0,0,1|1,0,0]=3 4270 B14R2.50 Cc1ncccc1OC2CCCC2 7a_100000745507_100000179811 [0,1,0,0,0,1|1,0,0]=3 4271 B14R2.50 Cc1ncccc1OC2CCOC2 34a_100000745507_100000690089 [0,1,0,0,0,1|2,0,0]=4 4272 B14R2.50 Cc1ncccc1OC2CCOC2 7a_100000745507_100000731011 [0,1,0,0,0,1|2,0,0]=4 4273 B14R2.50 Cc1ncccc1SC2CCCC2 62a_100000751574_100000179811 [0,1,0,0,0,1|1,0,0]=3 4274 B14R2.50 Cc1ncccc1SC2CCCC2 62a_100011217020_100000751574 [0,1,0,0,0,1|1,0,0]=3 4275 B14R2.50 Cc1ncccc1SC2CCOC2 62a_100000751574_100000690089 [0,1,0,0,0,1|2,0,0]=4 4276 B14R2.50 Cc1nccnc1NC2CCCC2 27a_100000211070_100011999405 [0,1,0,0,0,1|2,0,0]=4 4277 B14R2.50 Cc1nccnc1OC2CCCC2 34a_100000766352_100000179811 [0,1,0,0,0,1|2,0,0]=4 4278 B14R2.50 Cc1nccnc1SC2CCCC2 62a_100011217020_100011999405 [0,1,0,0,0,1|2,0,0]=4 4279 B14R2.50 Cc1nccnc1SC2CCCC2 62a_100011999405_100000179811 [0,1,0,0,0,1|2,0,0]=4 4280 B14R2.50 Cc1ncncc1SC2CCCC2 62a_100009819671_100000179811 [0,1,0,0,0,1|2,0,0]=4 4281 B14R2.50 Cc1ncncc1SC2CCCC2 62a_100011217020_100009819671 [0,1,0,0,0,1|2,0,0]=4 4282 B14R2.50 Clc1ccccc1NC2CCCC2 34a_100000185783_100000179811 [0,1,0,0,0,1|2,0,0]=4 4283 B14R2.50 Clc1ccccc1OC2CCCC2 34a_100000210172_100000179811 [0,1,0,0,0,1|2,0,0]=4 4284 B14R2.50 Clc1ccccc1OC2CCCC2 7a_100000210172_100000179811 [0,1,0,0,0,1|2,0,0]=4 4285 B14R2.50 Clc1ccccc1SC2CCCC2 62a_100000764095_100000179811 [0,1,0,0,0,1|2,0,0]=4 4286 B14R2.50 Clc1ccccc1SC2CCCC2 62a_100011217020_100000764095 [0,1,0,0,0,1|2,0,0]=4 4287 B14R2.50 Clc1ccncc1C=C2CCCC2 271570a_100010378317_100009995489 [0,1,0,0,0,1|1,0,1]=4 4288 B14R2.50 Clc1ccncc1CN2CCCC2 270004a_100000188435_100000050567 [0,1,0,0,0,1|2,0,0]=4 4289 B14R2.50 Clc1ccncc1OC2CCCC2 34a_100011996695_100000179811 [0,1,0,0,0,1|1,0,0]=3 4290 B14R2.50 Clc1ccncc1OC2CCOC2 34a_100011996695_100000690089 [0,1,0,0,0,1|2,0,0]=4 4291 B14R2.50 Clc1ccncc1SC2CCCC2 62a_100009995489_100000179811 [0,1,0,0,0,1|1,0,0]=3 4292 B14R2.50 Clc1ccncc1SC2CCCC2 62a_100011217020_100009995489 [0,1,0,0,0,1|1,0,0]=3 4293 B14R2.50 Clc1ccncc1SC2CCOC2 62a_100009995489_100000690089 [0,1,0,0,0,1|2,0,0]=4 4294 B14R2.50 Clc1ncccc1C=C2CCCC2 271570a_100010378317_100000036424 [0,1,0,0,0,1|1,0,1]=4 4295 B14R2.50 Clc1ncccc1CN2CCCC2 2230a_100000188435_100000045678 [0,1,0,0,0,1|2,0,0]=4 4296 B14R2.50 Clc1ncccc1CN2CCCC2 269982a_100000188435_100000045678 [0,1,0,0,0,1|2,0,0]=4 4297 B14R2.50 Clc1ncccc1OC2CCCC2 34a_100000757616_100000179811 [0,1,0,0,0,1|1,0,0]=3 4298 B14R2.50 Clc1ncccc1OC2CCCC2 7a_100000757616_100000179811 [0,1,0,0,0,1|1,0,0]=3 4299 B14R2.50 Clc1ncccc1OC2CCOC2 34a_100000757616_100000690089 [0,1,0,0,0,1|2,0,0]=4 4300 B14R2.50 Clc1ncccc1OC2CCOC2 7a_100000757616_100000731011 [0,1,0,0,0,1|2,0,0]=4 4301 B14R2.50 Clc1ncccc1SC2CCCC2 62a_100000036424_100000179811 [0,1,0,0,0,1|1,0,0]=3 4302 B14R2.50 Clc1ncccc1SC2CCCC2 62a_100011217020_100000036424 [0,1,0,0,0,1|1,0,0]=3 4303 B14R2.50 Clc1ncccc1SC2CCOC2 62a_100000036424_100000690089 [0,1,0,0,0,1|2,0,0]=4 4304 B14R2.50 Clc1nccnc1SC2CCCC2 62a_100010886584_100000179811 [0,1,0,0,0,1|2,0,0]=4 4305 B14R2.50 Clc1nccnc1SC2CCCC2 62a_100011217020_100010886584 [0,1,0,0,0,1|2,0,0]=4 4306 B14R2.50 Clc1ncncc1SC2CCCC2 62a_100000758962_100000179811 [0,1,0,0,0,1|2,0,0]=4 4307 B14R2.50 Clc1ncncc1SC2CCCC2 62a_100011217020_100000758962 [0,1,0,0,0,1|2,0,0]=4 4308 B14R2.50 Fc1ccccc1NC2CCCC2 34a_100000210422_100000179811 [0,1,0,0,0,1|2,0,0]=4 4309 B14R2.50 Fc1ccccc1OC2CCCC2 34a_100000210171_100000179811 [0,1,0,0,0,1|2,0,0]=4 4310 B14R2.50 Fc1ccccc1OC2CCCC2 7a_100000210171_100000179811 [0,1,0,0,0,1|2,0,0]=4 4311 B14R2.50 Fc1ccccc1SC2CCCC2 62a_100011215700_100000179811 [0,1,0,0,0,1|2,0,0]=4 4312 B14R2.50 Fc1ccccc1SC2CCCC2 62a_100011217020_100011215700 [0,1,0,0,0,1|2,0,0]=4 4313 B14R2.50 Fc1ccncc1C=C2CCCC2 271570a_100010378317_100009820683 [0,1,0,0,0,1|1,0,1]=4 4314 B14R2.50 Fc1ccncc1SC2CCCC2 62a_100009820683_100000179811 [0,1,0,0,0,1|1,0,0]=3 4315 B14R2.50 Fc1ccncc1SC2CCCC2 62a_100011217020_100009820683 [0,1,0,0,0,1|1,0,0]=3 4316 B14R2.50 Fc1ccncc1SC2CCOC2 62a_100009820683_100000690089 [0,1,0,0,0,1|2,0,0]=4 4317 B14R2.50 Fc1ncccc1C=C2CCCC2 271570a_100010378317_100009816115 [0,1,0,0,0,1|1,0,1]=4 4318 B14R2.50 Fc1ncccc1CN2CCCC2 2230a_100000188435_100000099810 [0,1,0,0,0,1|2,0,0]=4 4319 B14R2.50 Fc1ncccc1CN2CCCC2 269982a_100000188435_100000099810 [0,1,0,0,0,1|2,0,0]=4 4320 B14R2.50 Fc1ncccc1OC2CCCC2 34a_100000061740_100000179811 [0,1,0,0,0,1|1,0,0]=3 4321 B14R2.50 Fc1ncccc1OC2CCCC2 7a_100000061740_100000179811 [0,1,0,0,0,1|1,0,0]=3 4322 B14R2.50 Fc1ncccc1OC2CCOC2 34a_100000061740_100000690089 [0,1,0,0,0,1|2,0,0]=4 4323 B14R2.50 Fc1ncccc1OC2CCOC2 7a_100000061740_100000731011 [0,1,0,0,0,1|2,0,0]=4 4324 B14R2.50 Fc1ncccc1SC2CCCC2 62a_100009816115_100000179811 [0,1,0,0,0,1|1,0,0]=3 4325 B14R2.50 Fc1ncccc1SC2CCCC2 62a_100011217020_100009816115 [0,1,0,0,0,1|1,0,0]=3 4326 B14R2.50 Fc1ncccc1SC2CCOC2 62a_100009816115_100000690089 [0,1,0,0,0,1|2,0,0]=4 4327 B14R2.50 Fc1nccnc1NC2CCCC2 27a_100000211070_200010125657 [0,1,0,0,0,1|2,0,0]=4 4328 B14R2.50 Fc1nccnc1SC2CCCC2 62a_100011217020_200010125657 [0,1,0,0,0,1|2,0,0]=4 4329 B14R2.50 Fc1nccnc1SC2CCCC2 62a_200010125657_100000179811 [0,1,0,0,0,1|2,0,0]=4 4330 B14R2.50 Ic1ccccc1NC2CCCC2 34a_100000210053_100000179811 [0,1,0,0,0,1|2,0,0]=4 4331 B14R2.50 Ic1ccccc1OC2CCCC2 34a_100000739446_100000179811 [0,1,0,0,0,1|2,0,0]=4 4332 B14R2.50 Ic1ccccc1OC2CCCC2 7a_100000739446_100000179811 [0,1,0,0,0,1|2,0,0]=4 4333 B14R2.50 Ic1ccncc1OC2CCCC2 34a_100000050107_100000179811 [0,1,0,0,0,1|1,0,0]=3 4334 B14R2.50 Ic1ccncc1OC2CCOC2 34a_100000050107_100000690089 [0,1,0,0,0,1|2,0,0]=4 4335 B14R2.50 Ic1ncccc1OC2CCCC2 34a_100000034122_100000179811 [0,1,0,0,0,1|1,0,0]=3 4336 B14R2.50 Ic1ncccc1OC2CCCC2 7a_100000034122_100000179811 [0,1,0,0,0,1|1,0,0]=3 4337 B14R2.50 Ic1ncccc1OC2CCOC2 34a_100000034122_100000690089 [0,1,0,0,0,1|2,0,0]=4 4338 B14R2.50 Ic1ncccc1OC2CCOC2 7a_100000034122_100000731011 [0,1,0,0,0,1|2,0,0]=4 4339 B14R2.50 Nc1ccccc1OC2CCCC2 34a_100000185747_100000179811 [0,1,0,0,0,1|2,0,0]=4 4340 B14R2.50 Nc1ccccc1OC2CCCC2 7a_100000185747_100000179811 [0,1,0,0,0,1|2,0,0]=4 4341 B14R2.50 Nc1ccccc1SC2CCCC2 62a_100000210017_100000179811 [0,1,0,0,0,1|2,0,0]=4 4342 B14R2.50 Nc1ccccc1SC2CCCC2 62a_100011217020_100000210017 [0,1,0,0,0,1|2,0,0]=4 4343 B14R2.50 Nc1ccncc1C=C2CCCC2 271570a_100010378317_100000047001 [0,1,0,0,0,1|1,0,1]=4 4344 B14R2.50 Nc1ccncc1OC2CCCC2 34a_100000753702_100000179811 [0,1,0,0,0,1|1,0,0]=3 4345 B14R2.50 Nc1ccncc1OC2CCOC2 34a_100000753702_100000690089 [0,1,0,0,0,1|2,0,0]=4 4346 B14R2.50 Nc1ccncc1SC2CCCC2 62a_100000047001_100000179811 [0,1,0,0,0,1|1,0,0]=3 4347 B14R2.50 Nc1ccncc1SC2CCCC2 62a_100011217020_100000047001 [0,1,0,0,0,1|1,0,0]=3 4348 B14R2.50 Nc1ccncc1SC2CCOC2 62a_100000047001_100000690089 [0,1,0,0,0,1|2,0,0]=4 4349 B14R2.50 Nc1cnncc1SC2CCCC2 62a_100009829405_100000179811 [0,1,0,0,0,1|2,0,0]=4 4350 B14R2.50 Nc1cnncc1SC2CCCC2 62a_100011217020_100009829405 [0,1,0,0,0,1|2,0,0]=4 4351 B14R2.50 Nc1ncccc1C=C2CCCC2 271570a_100010378317_100000045569 [0,1,0,0,0,1|1,0,1]=4 4352 B14R2.50 Nc1ncccc1OC2CCCC2 34a_100000211975_100000179811 [0,1,0,0,0,1|1,0,0]=3 4353 B14R2.50 Nc1ncccc1OC2CCCC2 7a_100000211975_100000179811 [0,1,0,0,0,1|1,0,0]=3 4354 B14R2.50 Nc1ncccc1OC2CCOC2 34a_100000211975_100000690089 [0,1,0,0,0,1|2,0,0]=4 4355 B14R2.50 Nc1ncccc1OC2CCOC2 7a_100000211975_100000731011 [0,1,0,0,0,1|2,0,0]=4 4356 B14R2.50 Nc1ncccc1SC2CCCC2 62a_100000045569_100000179811 [0,1,0,0,0,1|1,0,0]=3 4357 B14R2.50 Nc1ncccc1SC2CCCC2 62a_100011217020_100000045569 [0,1,0,0,0,1|1,0,0]=3 4358 B14R2.50 Nc1ncccc1SC2CCOC2 62a_100000045569_100000690089 [0,1,0,0,0,1|2,0,0]=4 4359 B14R2.50 Nc1nccnc1SC2CCCC2 62a_100000747729_100000179811 [0,1,0,0,0,1|2,0,0]=4 4360 B14R2.50 Nc1nccnc1SC2CCCC2 62a_100011217020_100000747729 [0,1,0,0,0,1|2,0,0]=4 4361 B14R2.50 Nc1ncncc1OC2CCCC2 7a_100000112926_100000179811 [0,1,0,0,0,1|2,0,0]=4 4362 B14R2.50 Nc1ncncc1SC2CCCC2 62a_100011217020_100011996079 [0,1,0,0,0,1|2,0,0]=4 4363 B14R2.50 Nc1ncncc1SC2CCCC2 62a_100011996079_100000179811 [0,1,0,0,0,1|2,0,0]=4 4364 B14R2.50 O=c1cc[nH]cc1SC2CCCC2 62a_100009998708_100000179811 [0,1,0,0,0,1|1,0,1]=4 4365 B14R2.50 O=c1cc[nH]cc1SC2CCCC2 62a_100011217020_100009998708 [0,1,0,0,0,1|1,0,1]=4 4366 B14R2.50 O=c1ccocc1OC2CCCC2 34a_100000060831_100000179811 [0,1,0,0,0,1|2,0,0]=4 4367 B14R2.50 O=c1occcc1OC2CCCC2 34a_100000077404_100000179811 [0,1,0,0,0,1|2,0,0]=4 4368 B14R2.50 O=c1occcc1OC2CCCC2 7a_100000077404_100000179811 [0,1,0,0,0,1|2,0,0]=4 4369 B14R2.50 Oc1ccccc1NC2CCCC2 34a_100000185747_100000179811 [0,1,0,0,0,1|2,0,0]=4 4370 B14R2.50 Oc1ccccc1OC2CCCC2 271570a_203496583355_100011214840 [0,1,0,0,0,1|2,0,0]=4 4371 B14R2.50 Oc1ccccc1SC2CCCC2 62a_100000739446_100000179811 [0,1,0,0,0,1|2,0,0]=4 4372 B14R2.50 Oc1ccccc1SC2CCCC2 62a_100011217020_100000739446 [0,1,0,0,0,1|2,0,0]=4 4373 B14R2.50 Oc1ncccc1CN2CCCC2 270004a_100000188435_100011998315 [0,1,0,0,0,1|2,0,0]=4 4374 B14R2.50 Oc1ncccc1SC2CCCC2 62a_100000760158_100000179811 [0,1,0,0,0,1|1,0,0]=3 4375 B14R2.50 Oc1ncccc1SC2CCCC2 62a_100011217020_100000760158 [0,1,0,0,0,1|1,0,0]=3 4376 B14R2.50 Oc1ncccc1SC2CCOC2 62a_100000760158_100000690089 [0,1,0,0,0,1|2,0,0]=4 4377 B14R2.50 Oc1ncncc1SC2CCCC2 62a_100000751107_100000179811 [0,1,0,0,0,1|2,0,0]=4 4378 B14R2.50 Oc1ncncc1SC2CCCC2 62a_100011217020_100000751107 [0,1,0,0,0,1|2,0,0]=4 4379 B14R2.50 S=c1cc[nH]cc1SC2CCCC2 62a_100011217020_200012280681 [0,1,0,0,0,1|1,0,1]=4 4380 B14R2.50 S=c1cc[nH]cc1SC2CCCC2 62a_200012280681_100000179811 [0,1,0,0,0,1|1,0,1]=4 4381 B14R2.72 Brc1ccc(cc1)NC2CCCC2 2230a_100000210018_100000179811 [0,1,0,0,0,1|2,0,0]=4 4382 B14R2.72 Brc1ccc(cc1)NC2CCCC2 34a_100000210018_100000179811 [0,1,0,0,0,1|2,0,0]=4 4383 B14R2.72 Brc1ccc(cc1)OC2CCCC2 34a_100000185759_100000179811 [0,1,0,0,0,1|2,0,0]=4 4384 B14R2.72 Brc1ccc(cc1)OC2CCCC2 7a_100000185759_100000179811 [0,1,0,0,0,1|2,0,0]=4 4385 B14R2.72 Brc1ccc(cc1)SC2CCCC2 62a_100000752885_100000179811 [0,1,0,0,0,1|2,0,0]=4 4386 B14R2.72 Brc1ccc(cc1)SC2CCCC2 62a_100011217020_100000752885 [0,1,0,0,0,1|2,0,0]=4 4387 B14R2.72 Brc1ccc(cn1)C=C2CCCC2 271570a_100010378317_100009814638 [0,1,0,0,0,1|1,0,1]=4 4388 B14R2.72 Brc1ccc(cn1)CN2CCCC2 2230a_100000188435_100009831999 [0,1,0,0,0,1|2,0,0]=4 4389 B14R2.72 Brc1ccc(cn1)CN2CCCC2 269982a_100000188435_100009831999 [0,1,0,0,0,1|2,0,0]=4 4390 B14R2.72 Brc1ccc(cn1)OC2CCCC2 34a_100000685995_100000179811 [0,1,0,0,0,1|1,0,0]=3 4391 B14R2.72 Brc1ccc(cn1)OC2CCCC2 7a_100000685995_100000179811 [0,1,0,0,0,1|1,0,0]=3 4392 B14R2.72 Brc1ccc(cn1)OC2CCOC2 34a_100000685995_100000690089 [0,1,0,0,0,1|2,0,0]=4 4393 B14R2.72 Brc1ccc(cn1)OC2CCOC2 7a_100000685995_100000731011 [0,1,0,0,0,1|2,0,0]=4 4394 B14R2.72 Brc1ccc(cn1)SC2CCCC2 62a_100009814638_100000179811 [0,1,0,0,0,1|1,0,0]=3 4395 B14R2.72 Brc1ccc(cn1)SC2CCCC2 62a_100011217020_100009814638 [0,1,0,0,0,1|1,0,0]=3 4396 B14R2.72 Brc1ccc(cn1)SC2CCOC2 62a_100009814638_100000690089 [0,1,0,0,0,1|2,0,0]=4 4397 B14R2.72 Brc1cnc(cn1)NC2CCCC2 27a_100000211070_100010187541 [0,1,0,0,0,1|2,0,0]=4 4398 B14R2.72 Brc1cnc(cn1)OC2CCCC2 34a_100011934580_100000179811 [0,1,0,0,0,1|2,0,0]=4 4399 B14R2.72 Brc1cnc(cn1)SC2CCCC2 62a_100010187541_100000179811 [0,1,0,0,0,1|2,0,0]=4 4400 B14R2.72 Brc1cnc(cn1)SC2CCCC2 62a_100011217020_100010187541 [0,1,0,0,0,1|2,0,0]=4 4401 B14R2.72 Brc1ncc(cn1)OC2CCCC2 34a_100000730009_100000179811 [0,1,0,0,0,1|2,0,0]=4 4402 B14R2.72 Brc1ncc(cn1)OC2CCCC2 7a_100000730009_100000179811 [0,1,0,0,0,1|2,0,0]=4 4403 B14R2.72 Brc1ncc(cn1)SC2CCCC2 62a_100011217020_200012349914 [0,1,0,0,0,1|2,0,0]=4 4404 B14R2.72 Brc1ncc(cn1)SC2CCCC2 62a_200012349914_100000179811 [0,1,0,0,0,1|2,0,0]=4 4405 B14R2.72 Cc1ccc(cc1)NC2CCCC2 34a_100000124888_100000179811 [0,1,0,0,0,1|2,0,0]=4 4406 B14R2.72 Cc1ccc(cc1)OC2CCCC2 34a_100000210336_100000179811 [0,1,0,0,0,1|2,0,0]=4 4407 B14R2.72 Cc1ccc(cc1)OC2CCCC2 7a_100000210336_100000179811 [0,1,0,0,0,1|2,0,0]=4 4408 B14R2.72 Cc1ccc(cc1)SC2CCCC2 62a_100000186775_100000179811 [0,1,0,0,0,1|2,0,0]=4 4409 B14R2.72 Cc1ccc(cc1)SC2CCCC2 62a_100011217020_100000186775 [0,1,0,0,0,1|2,0,0]=4 4410 B14R2.72 Cc1ccc(cn1)C=C2CCCC2 271570a_100010378317_100000751577 [0,1,0,0,0,1|1,0,1]=4 4411 B14R2.72 Cc1ccc(cn1)CN2CCCC2 2230a_100000188435_100016987292 [0,1,0,0,0,1|2,0,0]=4 4412 B14R2.72 Cc1ccc(cn1)CN2CCCC2 269982a_100000188435_100016987292 [0,1,0,0,0,1|2,0,0]=4 4413 B14R2.72 Cc1ccc(cn1)CN2CCCC2 270004a_100000188435_100000743784 [0,1,0,0,0,1|2,0,0]=4 4414 B14R2.72 Cc1ccc(cn1)OC2CCCC2 34a_100000745506_100000179811 [0,1,0,0,0,1|1,0,0]=3 4415 B14R2.72 Cc1ccc(cn1)OC2CCCC2 7a_100000745506_100000179811 [0,1,0,0,0,1|1,0,0]=3 4416 B14R2.72 Cc1ccc(cn1)OC2CCOC2 34a_100000745506_100000690089 [0,1,0,0,0,1|2,0,0]=4 4417 B14R2.72 Cc1ccc(cn1)OC2CCOC2 7a_100000745506_100000731011 [0,1,0,0,0,1|2,0,0]=4 4418 B14R2.72 Cc1ccc(cn1)SC2CCCC2 62a_100000751577_100000179811 [0,1,0,0,0,1|1,0,0]=3 4419 B14R2.72 Cc1ccc(cn1)SC2CCCC2 62a_100011217020_100000751577 [0,1,0,0,0,1|1,0,0]=3 4420 B14R2.72 Cc1ccc(cn1)SC2CCOC2 62a_100000751577_100000690089 [0,1,0,0,0,1|2,0,0]=4 4421 B14R2.72 Cc1ccc(nn1)NC2CCCC2 27a_100000211070_100000744512 [0,1,0,0,0,1|2,0,0]=4 4422 B14R2.72 Cc1ccc(nn1)SC2CCCC2 62a_100000744512_100000179811 [0,1,0,0,0,1|2,0,0]=4 4423 B14R2.72 Cc1ccc(nn1)SC2CCCC2 62a_100011217020_100000744512 [0,1,0,0,0,1|2,0,0]=4 4424 B14R2.72 Cc1cnc(cn1)NC2CCCC2 27a_100000211070_100000074397 [0,1,0,0,0,1|2,0,0]=4 4425 B14R2.72 Cc1cnc(cn1)SC2CCCC2 62a_100011217020_100011999403 [0,1,0,0,0,1|2,0,0]=4 4426 B14R2.72 Cc1cnc(cn1)SC2CCCC2 62a_100011999403_100000179811 [0,1,0,0,0,1|2,0,0]=4 4427 B14R2.72 Cc1ncc(cn1)OC2CCCC2 34a_100000062939_100000179811 [0,1,0,0,0,1|2,0,0]=4 4428 B14R2.72 Cc1ncc(cn1)OC2CCCC2 7a_100000062939_100000179811 [0,1,0,0,0,1|2,0,0]=4 4429 B14R2.72 Cc1ncc(cn1)SC2CCCC2 62a_100000686985_100000179811 [0,1,0,0,0,1|2,0,0]=4 4430 B14R2.72 Cc1ncc(cn1)SC2CCCC2 62a_100011217020_100000686985 [0,1,0,0,0,1|2,0,0]=4 4431 B14R2.72 Clc1ccc(cc1)NC2CCCC2 2230a_100000210052_100000179811 [0,1,0,0,0,1|2,0,0]=4 4432 B14R2.72 Clc1ccc(cc1)NC2CCCC2 34a_100000210052_100000179811 [0,1,0,0,0,1|2,0,0]=4 4433 B14R2.72 Clc1ccc(cc1)OC2CCCC2 34a_100000210216_100000179811 [0,1,0,0,0,1|2,0,0]=4 4434 B14R2.72 Clc1ccc(cc1)OC2CCCC2 7a_100000210216_100000179811 [0,1,0,0,0,1|2,0,0]=4 4435 B14R2.72 Clc1ccc(cc1)SC2CCCC2 62a_100000755918_100000179811 [0,1,0,0,0,1|2,0,0]=4 4436 B14R2.72 Clc1ccc(cc1)SC2CCCC2 62a_100011217020_100000755918 [0,1,0,0,0,1|2,0,0]=4 4437 B14R2.72 Clc1ccc(cn1)C=C2CCCC2 271570a_100010378317_100000034144 [0,1,0,0,0,1|1,0,1]=4 4438 B14R2.72 Clc1ccc(cn1)CN2CCCC2 2230a_100000188435_100000735431 [0,1,0,0,0,1|2,0,0]=4 4439 B14R2.72 Clc1ccc(cn1)CN2CCCC2 269982a_100000188435_100000735431 [0,1,0,0,0,1|2,0,0]=4 4440 B14R2.72 Clc1ccc(cn1)OC2CCCC2 34a_100000744096_100000179811 [0,1,0,0,0,1|1,0,0]=3 4441 B14R2.72 Clc1ccc(cn1)OC2CCCC2 7a_100000744096_100000179811 [0,1,0,0,0,1|1,0,0]=3 4442 B14R2.72 Clc1ccc(cn1)OC2CCOC2 34a_100000744096_100000690089 [0,1,0,0,0,1|2,0,0]=4 4443 B14R2.72 Clc1ccc(cn1)OC2CCOC2 7a_100000744096_100000731011 [0,1,0,0,0,1|2,0,0]=4 4444 B14R2.72 Clc1ccc(cn1)SC2CCCC2 62a_100000034144_100000179811 [0,1,0,0,0,1|1,0,0]=3 4445 B14R2.72 Clc1ccc(cn1)SC2CCCC2 62a_100011217020_100000034144 [0,1,0,0,0,1|1,0,0]=3 4446 B14R2.72 Clc1ccc(cn1)SC2CCOC2 62a_100000034144_100000690089 [0,1,0,0,0,1|2,0,0]=4 4447 B14R2.72 Clc1ccc(nn1)SC2CCCC2 62a_100000068654_100000179811 [0,1,0,0,0,1|2,0,0]=4 4448 B14R2.72 Clc1ccc(nn1)SC2CCCC2 62a_100011217020_100000068654 [0,1,0,0,0,1|2,0,0]=4 4449 B14R2.72 Clc1cnc(cn1)OC2CCCC2 34a_100015839800_100000179811 [0,1,0,0,0,1|2,0,0]=4 4450 B14R2.72 Clc1cnc(cn1)SC2CCCC2 62a_100010214907_100000179811 [0,1,0,0,0,1|2,0,0]=4 4451 B14R2.72 Clc1cnc(cn1)SC2CCCC2 62a_100011217020_100010214907 [0,1,0,0,0,1|2,0,0]=4 4452 B14R2.72 Clc1ncc(cn1)OC2CCCC2 34a_100000092845_100000179811 [0,1,0,0,0,1|2,0,0]=4 4453 B14R2.72 Clc1ncc(cn1)OC2CCCC2 7a_100000092845_100000179811 [0,1,0,0,0,1|2,0,0]=4 4454 B14R2.72 Clc1ncc(cn1)SC2CCCC2 62a_100000059775_100000179811 [0,1,0,0,0,1|2,0,0]=4 4455 B14R2.72 Clc1ncc(cn1)SC2CCCC2 62a_100011217020_100000059775 [0,1,0,0,0,1|2,0,0]=4 4456 B14R2.72 Fc1ccc(cc1)NC2CCCC2 34a_100000185862_100000179811 [0,1,0,0,0,1|2,0,0]=4 4457 B14R2.72 Fc1ccc(cc1)OC2CCCC2 34a_100000210339_100000179811 [0,1,0,0,0,1|2,0,0]=4 4458 B14R2.72 Fc1ccc(cc1)SC2CCCC2 62a_100000211213_100000179811 [0,1,0,0,0,1|2,0,0]=4 4459 B14R2.72 Fc1ccc(cc1)SC2CCCC2 62a_100011217020_100000211213 [0,1,0,0,0,1|2,0,0]=4 4460 B14R2.72 Fc1ccc(cn1)C=C2CCCC2 271570a_100010378317_100000748661 [0,1,0,0,0,1|1,0,1]=4 4461 B14R2.72 Fc1ccc(cn1)CN2CCCC2 2230a_100000188435_100009820150 [0,1,0,0,0,1|2,0,0]=4 4462 B14R2.72 Fc1ccc(cn1)CN2CCCC2 269982a_100000188435_100009820150 [0,1,0,0,0,1|2,0,0]=4 4463 B14R2.72 Fc1ccc(cn1)OC2CCCC2 34a_100000688820_100000179811 [0,1,0,0,0,1|1,0,0]=3 4464 B14R2.72 Fc1ccc(cn1)OC2CCCC2 7a_100000688820_100000179811 [0,1,0,0,0,1|1,0,0]=3 4465 B14R2.72 Fc1ccc(cn1)OC2CCOC2 34a_100000688820_100000690089 [0,1,0,0,0,1|2,0,0]=4 4466 B14R2.72 Fc1ccc(cn1)OC2CCOC2 7a_100000688820_100000731011 [0,1,0,0,0,1|2,0,0]=4 4467 B14R2.72 Fc1ccc(cn1)SC2CCCC2 62a_100000042367_100000179811 [0,1,0,0,0,1|1,0,0]=3 4468 B14R2.72 Fc1ccc(cn1)SC2CCCC2 62a_100011217020_100000042367 [0,1,0,0,0,1|1,0,0]=3 4469 B14R2.72 Fc1ccc(cn1)SC2CCOC2 62a_100000042367_100000690089 [0,1,0,0,0,1|2,0,0]=4 4470 B14R2.72 Fc1cnc(cn1)NC2CCCC2 27a_100000211070_100009856528 [0,1,0,0,0,1|2,0,0]=4 4471 B14R2.72 Fc1cnc(cn1)SC2CCCC2 62a_100009856528_100000179811 [0,1,0,0,0,1|2,0,0]=4 4472 B14R2.72 Fc1cnc(cn1)SC2CCCC2 62a_100011217020_100009856528 [0,1,0,0,0,1|2,0,0]=4 4473 B14R2.72 Fc1ncc(cn1)OC2CCCC2 34a_200009874573_100000179811 [0,1,0,0,0,1|2,0,0]=4 4474 B14R2.72 Fc1ncc(cn1)OC2CCCC2 7a_200009874573_100000179811 [0,1,0,0,0,1|2,0,0]=4 4475 B14R2.72 Fc1ncc(cn1)SC2CCCC2 62a_100000685262_100000179811 [0,1,0,0,0,1|2,0,0]=4 4476 B14R2.72 Fc1ncc(cn1)SC2CCCC2 62a_100011217020_100000685262 [0,1,0,0,0,1|2,0,0]=4 4477 B14R2.72 Ic1ccc(cc1)NC2CCCC2 34a_100000185761_100000179811 [0,1,0,0,0,1|2,0,0]=4 4478 B14R2.72 Ic1ccc(cc1)OC2CCCC2 34a_100000212066_100000179811 [0,1,0,0,0,1|2,0,0]=4 4479 B14R2.72 Ic1ccc(cc1)OC2CCCC2 7a_100000212066_100000179811 [0,1,0,0,0,1|2,0,0]=4 4480 B14R2.72 Ic1ccc(cn1)OC2CCCC2 34a_100000687607_100000179811 [0,1,0,0,0,1|1,0,0]=3 4481 B14R2.72 Ic1ccc(cn1)OC2CCCC2 7a_100000687607_100000179811 [0,1,0,0,0,1|1,0,0]=3 4482 B14R2.72 Ic1ccc(cn1)OC2CCOC2 34a_100000687607_100000690089 [0,1,0,0,0,1|2,0,0]=4 4483 B14R2.72 Ic1ccc(cn1)OC2CCOC2 7a_100000687607_100000731011 [0,1,0,0,0,1|2,0,0]=4 4484 B14R2.72 Nc1ccc(cc1)OC2CCCC2 34a_100000185829_100000179811 [0,1,0,0,0,1|2,0,0]=4 4485 B14R2.72 Nc1ccc(cc1)SC2CCCC2 62a_100000185761_100000179811 [0,1,0,0,0,1|2,0,0]=4 4486 B14R2.72 Nc1ccc(cc1)SC2CCCC2 62a_100011217020_100000185761 [0,1,0,0,0,1|2,0,0]=4 4487 B14R2.72 Nc1ccc(cn1)C=C2CCCC2 271570a_100010378317_100000187370 [0,1,0,0,0,1|1,0,1]=4 4488 B14R2.72 Nc1ccc(cn1)OC2CCCC2 34a_100015188713_100000179811 [0,1,0,0,0,1|1,0,0]=3 4489 B14R2.72 Nc1ccc(cn1)OC2CCCC2 7a_100015188713_100000179811 [0,1,0,0,0,1|1,0,0]=3 4490 B14R2.72 Nc1ccc(cn1)OC2CCOC2 34a_100015188713_100000690089 [0,1,0,0,0,1|2,0,0]=4 4491 B14R2.72 Nc1ccc(cn1)OC2CCOC2 7a_100015188713_100000731011 [0,1,0,0,0,1|2,0,0]=4 4492 B14R2.72 Nc1ccc(cn1)SC2CCCC2 62a_100000187370_100000179811 [0,1,0,0,0,1|1,0,0]=3 4493 B14R2.72 Nc1ccc(cn1)SC2CCCC2 62a_100011217020_100000187370 [0,1,0,0,0,1|1,0,0]=3 4494 B14R2.72 Nc1ccc(cn1)SC2CCOC2 62a_100000187370_100000690089 [0,1,0,0,0,1|2,0,0]=4 4495 B14R2.72 Nc1ccc(nn1)SC2CCCC2 62a_100010219413_100000179811 [0,1,0,0,0,1|2,0,0]=4 4496 B14R2.72 Nc1ccc(nn1)SC2CCCC2 62a_100011217020_100010219413 [0,1,0,0,0,1|2,0,0]=4 4497 B14R2.72 Nc1cnc(cn1)SC2CCCC2 62a_100000744751_100000179811 [0,1,0,0,0,1|2,0,0]=4 4498 B14R2.72 Nc1cnc(cn1)SC2CCCC2 62a_100011217020_100000744751 [0,1,0,0,0,1|2,0,0]=4 4499 B14R2.72 Nc1ncc(cn1)OC2CCCC2 34a_100000087137_100000179811 [0,1,0,0,0,1|2,0,0]=4 4500 B14R2.72 Nc1ncc(cn1)OC2CCCC2 7a_100000087137_100000179811 [0,1,0,0,0,1|2,0,0]=4 4501 B14R2.72 Nc1ncc(cn1)SC2CCCC2 62a_100000766020_100000179811 [0,1,0,0,0,1|2,0,0]=4 4502 B14R2.72 Nc1ncc(cn1)SC2CCCC2 62a_100011217020_100000766020 [0,1,0,0,0,1|2,0,0]=4 4503 B14R2.72 O=c1ccc(c[nH]1)OC2CCCC2 34a_100000075641_100000179811 [0,1,0,0,0,1|1,0,1]=4 4504 B14R2.72 O=c1ccc(c[nH]1)SC2CCCC2 62a_100000212171_100000179811 [0,1,0,0,0,1|1,0,1]=4 4505 B14R2.72 O=c1ccc(c[nH]1)SC2CCCC2 62a_100011217020_100000212171 [0,1,0,0,0,1|1,0,1]=4 4506 B14R2.72 O=c1ncc(c[nH]1)SC2CCCC2 62a_100011217020_102495366499 [0,1,0,0,0,1|2,0,0]=4 4507 B14R2.72 O=c1ncc(c[nH]1)SC2CCCC2 62a_102495366499_100000179811 [0,1,0,0,0,1|2,0,0]=4 4508 B14R2.72 Oc1ccc(cc1)NC2CCCC2 34a_100000185829_100000179811 [0,1,0,0,0,1|2,0,0]=4 4509 B14R2.72 Oc1ccc(cc1)OC2CCCC2 271570a_203496583355_100011472759 [0,1,0,0,0,1|2,0,0]=4 4510 B14R2.72 Oc1ccc(cc1)SC2CCCC2 62a_100011217020_100000185759 [0,1,0,0,0,1|2,0,0]=4 4511 B14R2.72 Oc1ccc(cn1)CN2CCCC2 271570a_203496583355_100000743303 [0,1,0,0,0,1|2,0,0]=4 4512 B14R2.72 Oc1ccc(nn1)NC2CCCC2 271570a_203496583355_200000215248 [0,1,0,0,0,1|2,0,0]=4 4513 B14R2.72 Oc1cnc(cn1)SC2CCCC2 62a_100011217020_100015839800 [0,1,0,0,0,1|2,0,0]=4 4514 B14R2.72 Oc1cnc(cn1)SC2CCCC2 62a_100011934580_100000179811 [0,1,0,0,0,1|2,0,0]=4 4515 B14R2.114 CN(c1ccccc1)C2CCCC2 2230a_100000210012_100000179811 [0,1,0,0,0,1|2,0,0]=4 4516 B14R2.114 CN(c1ccccc1)C2CCCC2 269982a_100000210012_100000179811 [0,1,0,0,0,1|2,0,0]=4 4517 B14R2.114 CN(c1ccccc1)C2CCCC2 34a_100000210012_100000179811 [0,1,0,0,0,1|2,0,0]=4 4518 B14R2.114 CN(c1cccnn1)C2CCCC2 27a_100000207505_100016991348 [0,1,0,0,0,1|2,0,0]=4 4519 B14R2.114 CN(c1cnccn1)C2CCCC2 27a_100000207505_100000211759 [0,1,0,0,0,1|2,0,0]=4 4520 B14R2.114 O=C(c1ccccc1)C2CCCC2 1458a_100000185807_100000179811 [0,1,0,0,0,1|2,0,0]=4 4521 B14R2.716 Brc1cccc(c1)NC2CCCC2 34a_100000210019_100000179811 [0,1,0,0,0,1|2,0,0]=4 4522 B14R2.716 Brc1cccc(c1)OC2CCCC2 34a_100000210342_100000179811 [0,1,0,0,0,1|2,0,0]=4 4523 B14R2.716 Brc1cccc(c1)OC2CCCC2 7a_100000210342_100000179811 [0,1,0,0,0,1|2,0,0]=4 4524 B14R2.716 Brc1cccc(c1)SC2CCCC2 62a_100000691529_100000179811 [0,1,0,0,0,1|2,0,0]=4 4525 B14R2.716 Brc1cccc(c1)SC2CCCC2 62a_100011217020_100000691529 [0,1,0,0,0,1|2,0,0]=4 4526 B14R2.716 Brc1cncc(c1)C=C2CCCC2 271570a_100010378317_100000728054 [0,1,0,0,0,1|1,0,1]=4 4527 B14R2.716 Brc1cncc(c1)CN2CCCC2 2230a_100000188435_100000738771 [0,1,0,0,0,1|2,0,0]=4 4528 B14R2.716 Brc1cncc(c1)CN2CCCC2 269982a_100000188435_100000738771 [0,1,0,0,0,1|2,0,0]=4 4529 B14R2.716 Brc1cncc(c1)CN2CCCC2 270004a_100000188435_100000687066 [0,1,0,0,0,1|2,0,0]=4 4530 B14R2.716 Brc1cncc(c1)OC2CCCC2 34a_100000754920_100000179811 [0,1,0,0,0,1|1,0,0]=3 4531 B14R2.716 Brc1cncc(c1)OC2CCCC2 7a_100000754920_100000179811 [0,1,0,0,0,1|1,0,0]=3 4532 B14R2.716 Brc1cncc(c1)OC2CCOC2 34a_100000754920_100000690089 [0,1,0,0,0,1|2,0,0]=4 4533 B14R2.716 Brc1cncc(c1)OC2CCOC2 7a_100000754920_100000731011 [0,1,0,0,0,1|2,0,0]=4 4534 B14R2.716 Brc1cncc(c1)SC2CCCC2 62a_100000728054_100000179811 [0,1,0,0,0,1|1,0,0]=3 4535 B14R2.716 Brc1cncc(c1)SC2CCCC2 62a_100011217020_100000728054 [0,1,0,0,0,1|1,0,0]=3 4536 B14R2.716 Brc1cncc(c1)SC2CCOC2 62a_100000728054_100000690089 [0,1,0,0,0,1|2,0,0]=4 4537 B14R2.716 C[n+]1cccc(c1)SC2CCCC2 62a_100009996589_100000179811 [0,1,0,0,0,1|1,0,1]=4 4538 B14R2.716 C[n+]1cccc(c1)SC2CCCC2 62a_100011217020_100009996589 [0,1,0,0,0,1|1,0,1]=4 4539 B14R2.716 Cc1cccc(c1)NC2CCCC2 2230a_100000188690_100000179811 [0,1,0,0,0,1|2,0,0]=4 4540 B14R2.716 Cc1cccc(c1)NC2CCCC2 34a_100000188690_100000179811 [0,1,0,0,0,1|2,0,0]=4 4541 B14R2.716 Cc1cccc(c1)OC2CCCC2 34a_100000210337_100000179811 [0,1,0,0,0,1|2,0,0]=4 4542 B14R2.716 Cc1cccc(c1)OC2CCCC2 7a_100000210337_100000179811 [0,1,0,0,0,1|2,0,0]=4 4543 B14R2.716 Cc1cccc(c1)SC2CCCC2 62a_100011215228_100000179811 [0,1,0,0,0,1|2,0,0]=4 4544 B14R2.716 Cc1cccc(c1)SC2CCCC2 62a_100011217020_100011215228 [0,1,0,0,0,1|2,0,0]=4 4545 B14R2.716 Cc1cncc(c1)C=C2CCCC2 271570a_100010378317_100000760492 [0,1,0,0,0,1|1,0,1]=4 4546 B14R2.716 Cc1cncc(c1)CN2CCCC2 2230a_100000188435_100000716715 [0,1,0,0,0,1|2,0,0]=4 4547 B14R2.716 Cc1cncc(c1)CN2CCCC2 269982a_100000188435_100000716715 [0,1,0,0,0,1|2,0,0]=4 4548 B14R2.716 Cc1cncc(c1)CN2CCCC2 270004a_100000188435_100011998712 [0,1,0,0,0,1|2,0,0]=4 4549 B14R2.716 Cc1cncc(c1)OC2CCCC2 34a_100011830280_100000179811 [0,1,0,0,0,1|1,0,0]=3 4550 B14R2.716 Cc1cncc(c1)OC2CCCC2 7a_100011830280_100000179811 [0,1,0,0,0,1|1,0,0]=3 4551 B14R2.716 Cc1cncc(c1)OC2CCOC2 34a_100011830280_100000690089 [0,1,0,0,0,1|2,0,0]=4 4552 B14R2.716 Cc1cncc(c1)OC2CCOC2 7a_100011830280_100000731011 [0,1,0,0,0,1|2,0,0]=4 4553 B14R2.716 Cc1cncc(c1)SC2CCCC2 62a_100000760492_100000179811 [0,1,0,0,0,1|1,0,0]=3 4554 B14R2.716 Cc1cncc(c1)SC2CCCC2 62a_100011217020_100000760492 [0,1,0,0,0,1|1,0,0]=3 4555 B14R2.716 Cc1cncc(c1)SC2CCOC2 62a_100000760492_100000690089 [0,1,0,0,0,1|2,0,0]=4 4556 B14R2.716 Cc1cncc(n1)NC2CCCC2 27a_100000211070_100000754123 [0,1,0,0,0,1|2,0,0]=4 4557 B14R2.716 Cc1cncc(n1)SC2CCCC2 62a_100000754123_100000179811 [0,1,0,0,0,1|2,0,0]=4 4558 B14R2.716 Cc1cncc(n1)SC2CCCC2 62a_100011217020_100000754123 [0,1,0,0,0,1|2,0,0]=4 4559 B14R2.716 Cc1cnnc(c1)NC2CCCC2 27a_100000211070_100000070100 [0,1,0,0,0,1|2,0,0]=4 4560 B14R2.716 Cc1cnnc(c1)OC2CCCC2 34a_100000766097_100000179811 [0,1,0,0,0,1|2,0,0]=4 4561 B14R2.716 Cc1cnnc(c1)SC2CCCC2 62a_100000070100_100000179811 [0,1,0,0,0,1|2,0,0]=4 4562 B14R2.716 Cc1cnnc(c1)SC2CCCC2 62a_100011217020_100000070100 [0,1,0,0,0,1|2,0,0]=4 4563 B14R2.716 Clc1cc(cnn1)OC2CCCC2 34a_200010734679_100000179811 [0,1,0,0,0,1|2,0,0]=4 4564 B14R2.716 Clc1cccc(c1)NC2CCCC2 34a_100000185859_100000179811 [0,1,0,0,0,1|2,0,0]=4 4565 B14R2.716 Clc1cccc(c1)OC2CCCC2 34a_100000210295_100000179811 [0,1,0,0,0,1|2,0,0]=4 4566 B14R2.716 Clc1cccc(c1)OC2CCCC2 7a_100000210295_100000179811 [0,1,0,0,0,1|2,0,0]=4 4567 B14R2.716 Clc1cccc(c1)SC2CCCC2 62a_100000699651_100000179811 [0,1,0,0,0,1|2,0,0]=4 4568 B14R2.716 Clc1cccc(c1)SC2CCCC2 62a_100011217020_100000699651 [0,1,0,0,0,1|2,0,0]=4 4569 B14R2.716 Clc1cncc(c1)C=C2CCCC2 271570a_100010378317_100000049639 [0,1,0,0,0,1|1,0,1]=4 4570 B14R2.716 Clc1cncc(c1)CN2CCCC2 2230a_100000188435_100016992070 [0,1,0,0,0,1|2,0,0]=4 4571 B14R2.716 Clc1cncc(c1)CN2CCCC2 269982a_100000188435_100016992070 [0,1,0,0,0,1|2,0,0]=4 4572 B14R2.716 Clc1cncc(c1)CN2CCCC2 270004a_100000188435_100000088910 [0,1,0,0,0,1|2,0,0]=4 4573 B14R2.716 Clc1cncc(c1)OC2CCCC2 7a_100000032511_100000179811 [0,1,0,0,0,1|1,0,0]=3 4574 B14R2.716 Clc1cncc(c1)OC2CCOC2 7a_100000032511_100000731011 [0,1,0,0,0,1|2,0,0]=4 4575 B14R2.716 Clc1cncc(c1)SC2CCCC2 62a_100000049639_100000179811 [0,1,0,0,0,1|1,0,0]=3 4576 B14R2.716 Clc1cncc(c1)SC2CCCC2 62a_100011217020_100000049639 [0,1,0,0,0,1|1,0,0]=3 4577 B14R2.716 Clc1cncc(c1)SC2CCOC2 62a_100000049639_100000690089 [0,1,0,0,0,1|2,0,0]=4 4578 B14R2.716 Clc1cncc(n1)NC2CCCC2 27a_100000211070_100010892449 [0,1,0,0,0,1|2,0,0]=4 4579 B14R2.716 Clc1cncc(n1)SC2CCCC2 62a_100010892449_100000179811 [0,1,0,0,0,1|2,0,0]=4 4580 B14R2.716 Clc1cncc(n1)SC2CCCC2 62a_100011217020_100010892449 [0,1,0,0,0,1|2,0,0]=4 4581 B14R2.716 Fc1cccc(c1)NC2CCCC2 34a_100000210047_100000179811 [0,1,0,0,0,1|2,0,0]=4 4582 B14R2.716 Fc1cccc(c1)OC2CCCC2 34a_100000210426_100000179811 [0,1,0,0,0,1|2,0,0]=4 4583 B14R2.716 Fc1cccc(c1)OC2CCCC2 7a_100000210426_100000179811 [0,1,0,0,0,1|2,0,0]=4 4584 B14R2.716 Fc1cccc(c1)SC2CCCC2 62a_100000685547_100000179811 [0,1,0,0,0,1|2,0,0]=4 4585 B14R2.716 Fc1cccc(c1)SC2CCCC2 62a_100011217020_100000685547 [0,1,0,0,0,1|2,0,0]=4 4586 B14R2.716 Fc1cncc(c1)C=C2CCCC2 271570a_100010378317_100000744099 [0,1,0,0,0,1|1,0,1]=4 4587 B14R2.716 Fc1cncc(c1)CN2CCCC2 2230a_100000188435_100000725299 [0,1,0,0,0,1|2,0,0]=4 4588 B14R2.716 Fc1cncc(c1)CN2CCCC2 269982a_100000188435_100000725299 [0,1,0,0,0,1|2,0,0]=4 4589 B14R2.716 Fc1cncc(c1)CN2CCCC2 270004a_100000188435_100011361476 [0,1,0,0,0,1|2,0,0]=4 4590 B14R2.716 Fc1cncc(c1)OC2CCCC2 34a_100011830296_100000179811 [0,1,0,0,0,1|1,0,0]=3 4591 B14R2.716 Fc1cncc(c1)OC2CCCC2 7a_100011830296_100000179811 [0,1,0,0,0,1|1,0,0]=3 4592 B14R2.716 Fc1cncc(c1)OC2CCOC2 34a_100011830296_100000690089 [0,1,0,0,0,1|2,0,0]=4 4593 B14R2.716 Fc1cncc(c1)OC2CCOC2 7a_100011830296_100000731011 [0,1,0,0,0,1|2,0,0]=4 4594 B14R2.716 Fc1cncc(c1)SC2CCCC2 62a_100000744099_100000179811 [0,1,0,0,0,1|1,0,0]=3 4595 B14R2.716 Fc1cncc(c1)SC2CCCC2 62a_100011217020_100000744099 [0,1,0,0,0,1|1,0,0]=3 4596 B14R2.716 Fc1cncc(c1)SC2CCOC2 62a_100000744099_100000690089 [0,1,0,0,0,1|2,0,0]=4 4597 B14R2.716 Fc1cncc(n1)NC2CCCC2 27a_100000211070_200009863489 [0,1,0,0,0,1|2,0,0]=4 4598 B14R2.716 Fc1cncc(n1)SC2CCCC2 62a_100011217020_200009863489 [0,1,0,0,0,1|2,0,0]=4 4599 B14R2.716 Fc1cncc(n1)SC2CCCC2 62a_200009863489_100000179811 [0,1,0,0,0,1|2,0,0]=4 4600 B14R2.716 Ic1cccc(c1)NC2CCCC2 34a_100000211102_100000179811 [0,1,0,0,0,1|2,0,0]=4 4601 B14R2.716 Ic1cccc(c1)OC2CCCC2 34a_100000211634_100000179811 [0,1,0,0,0,1|2,0,0]=4 4602 B14R2.716 Ic1cccc(c1)OC2CCCC2 7a_100000211634_100000179811 [0,1,0,0,0,1|2,0,0]=4 4603 B14R2.716 Nc1cc(cnn1)OC2CCCC2 34a_200015193112_100000179811 [0,1,0,0,0,1|2,0,0]=4 4604 B14R2.716 Nc1cc(cnn1)SC2CCCC2 62a_100000130277_100000179811 [0,1,0,0,0,1|2,0,0]=4 4605 B14R2.716 Nc1cc(cnn1)SC2CCCC2 62a_100011217020_100000130277 [0,1,0,0,0,1|2,0,0]=4 4606 B14R2.716 Nc1cccc(c1)OC2CCCC2 34a_100000210217_100000179811 [0,1,0,0,0,1|2,0,0]=4 4607 B14R2.716 Nc1cccc(c1)SC2CCCC2 62a_100000210019_100000179811 [0,1,0,0,0,1|2,0,0]=4 4608 B14R2.716 Nc1cccc(c1)SC2CCCC2 62a_100011217020_100000210019 [0,1,0,0,0,1|2,0,0]=4 4609 B14R2.716 Nc1cncc(c1)C=C2CCCC2 271570a_100010378317_100000687067 [0,1,0,0,0,1|1,0,1]=4 4610 B14R2.716 Nc1cncc(c1)OC2CCCC2 34a_100011997051_100000179811 [0,1,0,0,0,1|1,0,0]=3 4611 B14R2.716 Nc1cncc(c1)OC2CCOC2 34a_100011997051_100000690089 [0,1,0,0,0,1|2,0,0]=4 4612 B14R2.716 Nc1cncc(c1)SC2CCCC2 62a_100000687067_100000179811 [0,1,0,0,0,1|1,0,0]=3 4613 B14R2.716 Nc1cncc(c1)SC2CCCC2 62a_100011217020_100000687067 [0,1,0,0,0,1|1,0,0]=3 4614 B14R2.716 Nc1cncc(c1)SC2CCOC2 62a_100000687067_100000690089 [0,1,0,0,0,1|2,0,0]=4 4615 B14R2.716 Nc1cncc(n1)SC2CCCC2 62a_100000747728_100000179811 [0,1,0,0,0,1|2,0,0]=4 4616 B14R2.716 Nc1cncc(n1)SC2CCCC2 62a_100011217020_100000747728 [0,1,0,0,0,1|2,0,0]=4 4617 B14R2.716 Nc1cnnc(c1)SC2CCCC2 62a_100011217020_100011996757 [0,1,0,0,0,1|2,0,0]=4 4618 B14R2.716 Nc1cnnc(c1)SC2CCCC2 62a_100011996757_100000179811 [0,1,0,0,0,1|2,0,0]=4 4619 B14R2.716 O=c1cc(cn[nH]1)SC2CCCC2 62a_100011217020_100010197405 [0,1,0,0,0,1|2,0,0]=4 4620 B14R2.716 Oc1cccc(c1)NC2CCCC2 34a_100000210217_100000179811 [0,1,0,0,0,1|2,0,0]=4 4621 B14R2.716 Oc1cccc(c1)SC2CCCC2 62a_100011217020_100000211634 [0,1,0,0,0,1|2,0,0]=4 4622 B14R2.716 Oc1cncc(c1)C=C2CCCC2 271570a_100010378317_100000754920 [0,1,0,0,0,1|1,0,1]=4 4623 B14R2.716 Oc1cncc(c1)CN2CCCC2 270004a_100000188435_100012187055 [0,1,0,0,0,1|2,0,0]=4 4624 B14R2.716 Oc1cncc(c1)SC2CCCC2 62a_100000754920_100000179811 [0,1,0,0,0,1|1,0,0]=3 4625 B14R2.716 Oc1cncc(c1)SC2CCCC2 62a_100011217020_100000754920 [0,1,0,0,0,1|1,0,0]=3 4626 B14R2.716 Oc1cncc(c1)SC2CCOC2 62a_100000754920_100000690089 [0,1,0,0,0,1|2,0,0]=4 4627 B14R2.716 Oc1cncc(n1)SC2CCCC2 62a_100011217020_100011269956 [0,1,0,0,0,1|2,0,0]=4 4628 B14R2.716 Oc1cnnc(c1)SC2CCCC2 62a_100011217020_200010734679 [0,1,0,0,0,1|2,0,0]=4 4629 B14R2.716 [O-][n+]1cccc(c1)OC2CCCC2 34a_100000039713_100000179811 [0,1,0,0,0,1|1,0,1]=4 4630 B14R2.716 [O-][n+]1cccc(c1)OC2CCCC2 7a_100000039713_100000179811 [0,1,0,0,0,1|1,0,1]=4 4631 B14R2.716 [O-][n+]1cccc(c1)SC2CCCC2 62a_100011217020_100009815978 [0,1,0,0,0,1|1,0,1]=4 4632 B14R2.716 [S]c1cccc(c1)SC2CCCC2 62a_100011217020_114929384022 [0,1,0,0,0,1|2,0,0]=4 4633 B14R2.716 [S]c1cccc(c1)SC2CCCC2 62a_114929384022_100000179811 [0,1,0,0,0,1|2,0,0]=4 4634 B14R2.8 CCN1CCC(C1)c2cccnc2 2230a_200015204282_100000210202 [0,2,0,0,0,0|2,0,0]=4 4635 B14R2.8 CCN1CCC(C1)c2cccnc2 269982a_200015204282_100000204670 [0,2,0,0,0,0|2,0,0]=4 4636 B14R2.8 CNC1CCC(C1)c2ccccc2 270004a_106832991635_100000750937 [0,2,0,0,0,0|2,0,0]=4 4637 B14R2.8 FCN1CCC(C1)c2cccnc2 269982a_200015204282_100015361967 [0,2,0,0,0,0|2,0,0]=4 4638 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 271570a_203496583355_100010201990 [0,2,0,0,0,0|1,0,1]=4 4639 B14R2.1 C=Cc1ccc(cc1)C2CCCN2 271570a_100011290941_100000766735 [0,2,0,0,0,0|1,0,0]=3 4640 B14R2.1 C=Cc1ccc(nc1)C2CCCN2 271570a_100011290941_100000728117 [0,2,0,0,0,0|2,0,0]=4 4641 B14R2.1 CCc1ccc(cn1)C2=CCCC2 271570a_100000089523_100009820025 [0,2,0,0,0,0|1,0,1]=4 4642 B14R2.1 CNc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000741341 [0,2,0,0,0,0|1,0,1]=4 4643 B14R2.1 COc1ccc(cc1)C2CCCC2 34a_200000039779_200000210301 [0,2,0,0,0,0|2,0,0]=4 4644 B14R2.1 COc1ccc(cc1)C2CCCC2 7a_200000039779_200000210301 [0,2,0,0,0,0|2,0,0]=4 4645 B14R2.1 COc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000047065 [0,2,0,0,0,0|1,0,1]=4 4646 B14R2.1 CSc1ccc(cc1)C2CCCN2 62a_200000210301_100000766735 [0,2,0,0,0,0|1,0,0]=3 4647 B14R2.1 CSc1ccc(cn1)C2=CCCC2 271570a_100000089523_100011408404 [0,2,0,0,0,0|1,0,1]=4 4648 B14R2.1 CSc1ccc(nc1)C2CCCN2 62a_100000728117_200000210301 [0,2,0,0,0,0|2,0,0]=4 4649 B14R2.1 CSc1ccc(nc1)C2CCCN2 62a_200000210301_100000728117 [0,2,0,0,0,0|2,0,0]=4 4650 B14R2.1 N#Cc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000760455 [0,2,0,0,0,0|1,0,1]=4 4651 B14R2.1 NCc1ccc(cn1)C2=CCCC2 271570a_100000089523_100015188789 [0,2,0,0,0,0|1,0,1]=4 4652 B14R2.1 NNc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000750576 [0,2,0,0,0,0|1,0,1]=4 4653 B14R2.1 O=Cc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000754260 [0,2,0,0,0,0|1,0,1]=4 4654 B14R2.1 OCc1ccc(cn1)C2=CCCC2 271570a_100000089523_100000754261 [0,2,0,0,0,0|1,0,1]=4 4655 B14R2.1 [13CH3]Oc1ccc(cc1)C2CCCC2 34a_200000039779_200025704644 [0,2,0,0,0,0|2,0,0]=4 4656 B14R2.1 [13CH3]Oc1ccc(cc1)C2CCCC2 7a_200000039779_200025704644 [0,2,0,0,0,0|2,0,0]=4 4657 B14R2.1 [13CH3]Sc1ccc(cc1)C2CCCN2 62a_200025704644_100000766735 [0,2,0,0,0,0|1,0,0]=3 4658 B14R2.1 [13CH3]Sc1ccc(nc1)C2CCCN2 62a_100000728117_200025704644 [0,2,0,0,0,0|2,0,0]=4 4659 B14R2.1 [13CH3]Sc1ccc(nc1)C2CCCN2 62a_200025704644_100000728117 [0,2,0,0,0,0|2,0,0]=4 4660 B14R2.70 Cc1cc(cnc1Br)C2=CCCC2 271570a_100000089523_100009816107 [0,2,0,0,0,0|1,0,1]=4 4661 B14R2.70 Cc1cc(cnc1C)C2=CCCC2 271570a_100000089523_100000697892 [0,2,0,0,0,0|1,0,1]=4 4662 B14R2.70 Cc1cc(cnc1Cl)C2=CCCC2 271570a_100000089523_100009922867 [0,2,0,0,0,0|1,0,1]=4 4663 B14R2.70 Cc1cc(cnc1F)C2=CCCC2 271570a_100000089523_100000709442 [0,2,0,0,0,0|1,0,1]=4 4664 B14R2.70 Cc1cc(cnc1N)C2=CCCC2 271570a_100000089523_100000186686 [0,2,0,0,0,0|1,0,1]=4 4665 B14R2.70 Cc1cc(cnc1O)C2=CCCC2 271570a_100000089523_100000685391 [0,2,0,0,0,0|1,0,1]=4 4666 B14R2.70 Cc1ncc(cc1F)C2=CCCC2 271570a_100000089523_100009845756 [0,2,0,0,0,0|1,0,1]=4 4667 B14R2.70 Cc1ncc(cc1N)C2=CCCC2 271570a_100000089523_100011999542 [0,2,0,0,0,0|1,0,1]=4 4668 B14R2.70 Cc1ncc(cc1O)C2=CCCC2 271570a_100000089523_100009864810 [0,2,0,0,0,0|1,0,1]=4 4669 B14R2.70 Clc1ncc(cc1Br)C2=CCCC2 271570a_100000089523_100010172733 [0,2,0,0,0,0|1,0,1]=4 4670 B14R2.70 Fc1cc(cnc1F)C2=CCCC2 271570a_100000089523_100009817721 [0,2,0,0,0,0|1,0,1]=4 4671 B14R2.70 Nc1cc(cnc1Cl)C2=CCCC2 271570a_100000089523_100009828400 [0,2,0,0,0,0|1,0,1]=4 4672 B14R2.70 Nc1cc(cnc1F)C2=CCCC2 271570a_100000089523_100009816798 [0,2,0,0,0,0|1,0,1]=4 4673 B14R2.70 Nc1cc(cnc1N)C2=CCCC2 271570a_100000089523_100000184470 [0,2,0,0,0,0|1,0,1]=4 4674 B14R2.70 Nc1cc(cnc1O)C2=CCCC2 271570a_100000089523_100000743729 [0,2,0,0,0,0|1,0,1]=4 4675 B14R2.70 Nc1ncc(cc1Br)C2=CCCC2 271570a_100000089523_100012353989 [0,2,0,0,0,0|1,0,1]=4 4676 B14R2.70 Nc1ncc(cc1Cl)C2=CCCC2 271570a_100000089523_100012356299 [0,2,0,0,0,0|1,0,1]=4 4677 B14R2.70 Nc1ncc(cc1F)C2=CCCC2 271570a_100000089523_100000693161 [0,2,0,0,0,0|1,0,1]=4 4678 B14R2.70 Nc1ncc(cc1O)C2=CCCC2 271570a_100000089523_100009819042 [0,2,0,0,0,0|1,0,1]=4 4679 B14R2.70 Oc1cc(cnc1F)C2=CCCC2 271570a_100000089523_100009819871 [0,2,0,0,0,0|1,0,1]=4 4680 B14R2.70 Oc1ncc(cc1Cl)C2=CCCC2 271570a_100000089523_100010238531 [0,2,0,0,0,0|1,0,1]=4 4681 B14R2.739 Cc1cc(c(cn1)C2=CCCC2)C 271570a_100000089523_100009819613 [0,2,0,0,0,0|1,0,1]=4 4682 B14R2.739 Cc1cc(c(cn1)C2=CCCC2)N 271570a_100000089523_100009817891 [0,2,0,0,0,0|1,0,1]=4 4683 B14R2.739 Cc1cc(c(cn1)C2=CCCC2)O 271570a_100000089523_100011016184 [0,2,0,0,0,0|1,0,1]=4 4684 B14R2.739 Cc1cc(ncc1C2=CCCC2)Br 271570a_100000089523_100009816104 [0,2,0,0,0,0|1,0,1]=4 4685 B14R2.739 Cc1cc(ncc1C2=CCCC2)Cl 271570a_100000089523_100010172789 [0,2,0,0,0,0|1,0,1]=4 4686 B14R2.739 Cc1cc(ncc1C2=CCCC2)F 271570a_100000089523_100009820716 [0,2,0,0,0,0|1,0,1]=4 4687 B14R2.739 Cc1cc(ncc1C2=CCCC2)N 271570a_100000089523_100000050067 [0,2,0,0,0,0|1,0,1]=4 4688 B14R2.739 Cc1cc(ncc1C2=CCCC2)O 271570a_100000089523_100010114363 [0,2,0,0,0,0|1,0,1]=4 4689 B14R2.739 Cc1ccc(c(n1)C)C2=CCCC2 271570a_100000089523_100009813853 [0,2,0,0,0,0|1,0,1]=4 4690 B14R2.739 Cc1ccc(c(n1)F)C2=CCCC2 271570a_100000089523_100010006597 [0,2,0,0,0,0|1,0,1]=4 4691 B14R2.739 Cc1ccc(c(n1)N)C2=CCCC2 271570a_100000089523_100009816662 [0,2,0,0,0,0|1,0,1]=4 4692 B14R2.739 Cc1ccc(c(n1)O)C2=CCCC2 271570a_100000089523_100009817604 [0,2,0,0,0,0|1,0,1]=4 4693 B14R2.739 Cc1nc(ccc1C2=CCCC2)Cl 271570a_100000089523_100000062408 [0,2,0,0,0,0|1,0,1]=4 4694 B14R2.739 Cc1nc(ccc1C2=CCCC2)F 271570a_100000089523_100000688911 [0,2,0,0,0,0|1,0,1]=4 4695 B14R2.739 Cc1nc(ccc1C2=CCCC2)N 271570a_100000089523_100000013003 [0,2,0,0,0,0|1,0,1]=4 4696 B14R2.739 Cc1nc(ccc1C2=CCCC2)O 271570a_100000089523_100000691680 [0,2,0,0,0,0|1,0,1]=4 4697 B14R2.739 Clc1cc(c(cn1)C2=CCCC2)Cl 271570a_100000089523_100010200927 [0,2,0,0,0,0|1,0,1]=4 4698 B14R2.739 Clc1cc(ncc1C2=CCCC2)Br 271570a_100000089523_100010381092 [0,2,0,0,0,0|1,0,1]=4 4699 B14R2.739 Clc1nc(ccc1C2=CCCC2)Br 271570a_100000089523_100010246183 [0,2,0,0,0,0|1,0,1]=4 4700 B14R2.739 Fc1cc(c(cn1)C2=CCCC2)Br 271570a_100000089523_100015451857 [0,2,0,0,0,0|1,0,1]=4 4701 B14R2.739 Fc1cc(ncc1C2=CCCC2)Cl 271570a_100000089523_100010128100 [0,2,0,0,0,0|1,0,1]=4 4702 B14R2.739 Fc1ccc(c(n1)F)C2=CCCC2 271570a_100000089523_100000070099 [0,2,0,0,0,0|1,0,1]=4 4703 B14R2.739 Fc1nc(ccc1C2=CCCC2)Cl 271570a_100000089523_100010168078 [0,2,0,0,0,0|1,0,1]=4 4704 B14R2.739 Nc1cc(c(cn1)C2=CCCC2)Br 271570a_100000089523_100010074611 [0,2,0,0,0,0|1,0,1]=4 4705 B14R2.739 Nc1cc(c(cn1)C2=CCCC2)Cl 271570a_100000089523_100000694920 [0,2,0,0,0,0|1,0,1]=4 4706 B14R2.739 Nc1cc(c(cn1)C2=CCCC2)F 271570a_100000089523_100009844730 [0,2,0,0,0,0|1,0,1]=4 4707 B14R2.739 Nc1cc(c(cn1)C2=CCCC2)N 271570a_100000089523_200009857908 [0,2,0,0,0,0|1,0,1]=4 4708 B14R2.739 Nc1ccc(c(n1)Br)C2=CCCC2 271570a_100000089523_100010734177 [0,2,0,0,0,0|1,0,1]=4 4709 B14R2.739 Nc1ccc(c(n1)Cl)C2=CCCC2 271570a_100000089523_100010270343 [0,2,0,0,0,0|1,0,1]=4 4710 B14R2.739 Nc1ccc(c(n1)F)C2=CCCC2 271570a_100000089523_100009882772 [0,2,0,0,0,0|1,0,1]=4 4711 B14R2.739 Nc1ccc(c(n1)N)C2=CCCC2 271570a_100000089523_100011356871 [0,2,0,0,0,0|1,0,1]=4 4712 B14R2.739 Nc1nc(ccc1C2=CCCC2)Cl 271570a_100000089523_100010171640 [0,2,0,0,0,0|1,0,1]=4 4713 B14R2.739 Nc1nc(ccc1C2=CCCC2)F 271570a_100000089523_100009854977 [0,2,0,0,0,0|1,0,1]=4 4714 B14R2.739 Oc1ccc(c(n1)F)C2=CCCC2 271570a_100000089523_100009879308 [0,2,0,0,0,0|1,0,1]=4 4715 B14R2.926 CN1CCCC1c2ccc(cc2)Br 2230a_100000766735_200000210301 [0,2,0,0,0,0|1,0,0]=3 4716 B14R2.926 CN1CCCC1c2ccc(cc2)Br 269982a_100000766735_200000210301 [0,2,0,0,0,0|1,0,0]=3 4717 B14R2.926 CN1CCCC1c2ccc(cc2)Br 34a_100000766735_200000210301 [0,2,0,0,0,0|1,0,0]=3 4718 B14R2.926 CN1CCCC1c2ccc(cc2)Cl 2230a_100000736974_200000210301 [0,2,0,0,0,0|1,0,0]=3 4719 B14R2.926 CN1CCCC1c2ccc(cc2)Cl 269982a_100000736974_200000210301 [0,2,0,0,0,0|1,0,0]=3 4720 B14R2.926 CN1CCCC1c2ccc(cc2)Cl 34a_100000736974_200000210301 [0,2,0,0,0,0|1,0,0]=3 4721 B14R2.926 CN1CCCC1c2ccc(cc2)F 2230a_100000243150_200000210301 [0,2,0,0,0,0|1,0,0]=3 4722 B14R2.926 CN1CCCC1c2ccc(cc2)F 269982a_100000243150_200000210301 [0,2,0,0,0,0|1,0,0]=3 4723 B14R2.926 CN1CCCC1c2ccc(cc2)F 34a_100000243150_200000210301 [0,2,0,0,0,0|1,0,0]=3 4724 B14R2.926 CN1CCCC1c2ccc(cn2)Br 2230a_100000728117_200000210301 [0,2,0,0,0,0|2,0,0]=4 4725 B14R2.926 CN1CCCC1c2ccc(cn2)Br 269982a_100000728117_200000210301 [0,2,0,0,0,0|2,0,0]=4 4726 B14R2.926 Cc1ccc(cc1)C2CCCN2C 2230a_100000736514_200000210301 [0,2,0,0,0,0|1,0,0]=3 4727 B14R2.926 Cc1ccc(cc1)C2CCCN2C 269982a_100000736514_200000210301 [0,2,0,0,0,0|1,0,0]=3 4728 B14R2.926 Cc1ccc(cc1)C2CCCN2C 34a_100000736514_200000210301 [0,2,0,0,0,0|1,0,0]=3 4729 B14R2.926 Cc1ccc(cc1)C2CCCN2[13CH3] 2230a_100000736514_200025704644 [0,2,0,0,0,0|1,0,0]=3 4730 B14R2.926 Cc1ccc(cc1)C2CCCN2[13CH3] 269982a_100000736514_200025704644 [0,2,0,0,0,0|1,0,0]=3 4731 B14R2.926 Cc1ccc(cc1)C2CCCN2[13CH3] 34a_100000736514_200025704644 [0,2,0,0,0,0|1,0,0]=3 4732 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Br 2230a_100000766735_200025704644 [0,2,0,0,0,0|1,0,0]=3 4733 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Br 269982a_100000766735_200025704644 [0,2,0,0,0,0|1,0,0]=3 4734 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Br 34a_100000766735_200025704644 [0,2,0,0,0,0|1,0,0]=3 4735 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Cl 2230a_100000736974_200025704644 [0,2,0,0,0,0|1,0,0]=3 4736 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Cl 269982a_100000736974_200025704644 [0,2,0,0,0,0|1,0,0]=3 4737 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)Cl 34a_100000736974_200025704644 [0,2,0,0,0,0|1,0,0]=3 4738 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)F 2230a_100000243150_200025704644 [0,2,0,0,0,0|1,0,0]=3 4739 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)F 269982a_100000243150_200025704644 [0,2,0,0,0,0|1,0,0]=3 4740 B14R2.926 [13CH3]N1CCCC1c2ccc(cc2)F 34a_100000243150_200025704644 [0,2,0,0,0,0|1,0,0]=3 4741 B14R2.926 [13CH3]N1CCCC1c2ccc(cn2)Br 2230a_100000728117_200025704644 [0,2,0,0,0,0|2,0,0]=4 4742 B14R2.926 [13CH3]N1CCCC1c2ccc(cn2)Br 269982a_100000728117_200025704644 [0,2,0,0,0,0|2,0,0]=4 4743 B14R2.4398 Oc1ccc(cc1)C2(CCCC2)O 271570a_203496583355_100010132842 [0,2,0,0,0,0|2,0,0]=4 4744 B14R2.10 C=Cc1cccc(c1)C2CCCN2 271570a_100011290941_100015187783 [0,2,0,0,0,0|1,0,0]=3 4745 B14R2.10 C=Cc1cncc(c1)C2CCCN2 271570a_100011290941_100012340264 [0,2,0,0,0,0|0,0,0]=2 4746 B14R2.10 C=Cc1cncc(c1)C2OCCO2 271570a_100011290941_100010134100 [0,2,0,0,0,0|2,0,0]=4 4747 B14R2.10 C=Cc1cncc(c1)N2CCCC2 271570a_100011290941_100011949850 [0,2,0,0,0,0|2,0,0]=4 4748 B14R2.10 CCc1cncc(c1)C2=CCCC2 271570a_100000089523_200009819073 [0,2,0,0,0,0|1,0,1]=4 4749 B14R2.10 CNc1cncc(c1)C2=CCCC2 271570a_100000089523_100012184536 [0,2,0,0,0,0|1,0,1]=4 4750 B14R2.10 COc1cncc(c1)C2=CCCC2 271570a_100000089523_100000684773 [0,2,0,0,0,0|1,0,1]=4 4751 B14R2.10 CSc1cccc(c1)C2CCCN2 62a_200000210301_100015187783 [0,2,0,0,0,0|1,0,0]=3 4752 B14R2.10 CSc1cncc(c1)C2=CCCC2 271570a_100000089523_100009816972 [0,2,0,0,0,0|1,0,1]=4 4753 B14R2.10 CSc1cncc(c1)C2CCCN2 62a_100012340264_200000210301 [0,2,0,0,0,0|0,0,0]=2 4754 B14R2.10 CSc1cncc(c1)C2CCCN2 62a_200000210301_100012340264 [0,2,0,0,0,0|0,0,0]=2 4755 B14R2.10 CSc1cncc(c1)C2OCCO2 62a_200000210301_100010134100 [0,2,0,0,0,0|2,0,0]=4 4756 B14R2.10 CSc1cncc(c1)N2CCCC2 62a_100011949850_200000210301 [0,2,0,0,0,0|2,0,0]=4 4757 B14R2.10 CSc1cncc(c1)N2CCCC2 62a_200000210301_100011949850 [0,2,0,0,0,0|2,0,0]=4 4758 B14R2.10 N#Cc1cncc(c1)C2=CCCC2 271570a_100000089523_100000686085 [0,2,0,0,0,0|1,0,1]=4 4759 B14R2.10 NCc1cncc(c1)C2=CCCC2 271570a_100000089523_100011249555 [0,2,0,0,0,0|1,0,1]=4 4760 B14R2.10 NNc1cncc(c1)C2=CCCC2 271570a_100000089523_100000727789 [0,2,0,0,0,0|1,0,1]=4 4761 B14R2.10 O=Cc1cncc(c1)C2=CCCC2 271570a_100000089523_100000687066 [0,2,0,0,0,0|1,0,1]=4 4762 B14R2.10 OCc1cncc(c1)C2=CCCC2 271570a_100000089523_100011259137 [0,2,0,0,0,0|1,0,1]=4 4763 B14R2.10 [13CH3]Sc1cccc(c1)C2CCCN2 62a_200025704644_100015187783 [0,2,0,0,0,0|1,0,0]=3 4764 B14R2.10 [13CH3]Sc1cncc(c1)C2CCCN2 62a_100012340264_200025704644 [0,2,0,0,0,0|0,0,0]=2 4765 B14R2.10 [13CH3]Sc1cncc(c1)C2CCCN2 62a_200025704644_100012340264 [0,2,0,0,0,0|0,0,0]=2 4766 B14R2.10 [13CH3]Sc1cncc(c1)C2OCCO2 62a_200025704644_100010134100 [0,2,0,0,0,0|2,0,0]=4 4767 B14R2.10 [13CH3]Sc1cncc(c1)N2CCCC2 62a_100011949850_200025704644 [0,2,0,0,0,0|2,0,0]=4 4768 B14R2.10 [13CH3]Sc1cncc(c1)N2CCCC2 62a_200025704644_100011949850 [0,2,0,0,0,0|2,0,0]=4 4769 B14R2.23 Cc1c(cncc1C2=CCCC2)Br 271570a_100000089523_100010109657 [0,2,0,0,0,0|1,0,1]=4 4770 B14R2.23 Cc1c(cncc1C2=CCCC2)F 271570a_100000089523_100009881546 [0,2,0,0,0,0|1,0,1]=4 4771 B14R2.23 Cc1c(cncc1C2=CCCC2)N 271570a_100000089523_100011998293 [0,2,0,0,0,0|1,0,1]=4 4772 B14R2.23 Cc1cncc(c1C)C2=CCCC2 271570a_100000089523_100009864703 [0,2,0,0,0,0|1,0,1]=4 4773 B14R2.23 Cc1cncc(c1N)C2=CCCC2 271570a_100000089523_100009818025 [0,2,0,0,0,0|1,0,1]=4 4774 B14R2.23 Nc1c(cncc1C2=CCCC2)Br 271570a_100000089523_100011290786 [0,2,0,0,0,0|1,0,1]=4 4775 B14R2.23 Nc1c(cncc1C2=CCCC2)Cl 271570a_100000089523_100000684942 [0,2,0,0,0,0|1,0,1]=4 4776 B14R2.23 Nc1c(cncc1C2=CCCC2)F 271570a_100000089523_100009880649 [0,2,0,0,0,0|1,0,1]=4 4777 B14R2.23 Nc1cncc(c1N)C2=CCCC2 271570a_100000089523_100000694774 [0,2,0,0,0,0|1,0,1]=4 4778 B14R2.269 CN1CCCC1c2cccc(c2)Br 2230a_100015187783_200000210301 [0,2,0,0,0,0|1,0,0]=3 4779 B14R2.269 CN1CCCC1c2cccc(c2)Br 269982a_100015187783_200000210301 [0,2,0,0,0,0|1,0,0]=3 4780 B14R2.269 CN1CCCC1c2cccc(c2)Br 34a_100015187783_200000210301 [0,2,0,0,0,0|1,0,0]=3 4781 B14R2.269 CN1CCCC1c2cccc(c2)Cl 2230a_100000741648_200000210301 [0,2,0,0,0,0|1,0,0]=3 4782 B14R2.269 CN1CCCC1c2cccc(c2)Cl 269982a_100000741648_200000210301 [0,2,0,0,0,0|1,0,0]=3 4783 B14R2.269 CN1CCCC1c2cccc(c2)Cl 34a_100000741648_200000210301 [0,2,0,0,0,0|1,0,0]=3 4784 B14R2.269 CN1CCCC1c2cccc(c2)F 2230a_100000742875_200000210301 [0,2,0,0,0,0|1,0,0]=3 4785 B14R2.269 CN1CCCC1c2cccc(c2)F 269982a_100000742875_200000210301 [0,2,0,0,0,0|1,0,0]=3 4786 B14R2.269 CN1CCCC1c2cccc(c2)F 34a_100000742875_200000210301 [0,2,0,0,0,0|1,0,0]=3 4787 B14R2.269 CN1CCCC1c2cncc(c2)Br 2230a_100012340264_200000210301 [0,2,0,0,0,0|0,0,0]=2 4788 B14R2.269 CN1CCCC1c2cncc(c2)Br 269982a_100012340264_200000210301 [0,2,0,0,0,0|0,0,0]=2 4789 B14R2.269 Cc1cccc(c1)C2CCCN2C 2230a_100000741861_200000210301 [0,2,0,0,0,0|1,0,0]=3 4790 B14R2.269 Cc1cccc(c1)C2CCCN2C 269982a_100000741861_200000210301 [0,2,0,0,0,0|1,0,0]=3 4791 B14R2.269 Cc1cccc(c1)C2CCCN2C 34a_100000741861_200000210301 [0,2,0,0,0,0|1,0,0]=3 4792 B14R2.269 Cc1cccc(c1)C2CCCN2[13CH3] 2230a_100000741861_200025704644 [0,2,0,0,0,0|1,0,0]=3 4793 B14R2.269 Cc1cccc(c1)C2CCCN2[13CH3] 269982a_100000741861_200025704644 [0,2,0,0,0,0|1,0,0]=3 4794 B14R2.269 Cc1cccc(c1)C2CCCN2[13CH3] 34a_100000741861_200025704644 [0,2,0,0,0,0|1,0,0]=3 4795 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Br 2230a_100015187783_200025704644 [0,2,0,0,0,0|1,0,0]=3 4796 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Br 269982a_100015187783_200025704644 [0,2,0,0,0,0|1,0,0]=3 4797 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Br 34a_100015187783_200025704644 [0,2,0,0,0,0|1,0,0]=3 4798 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Cl 2230a_100000741648_200025704644 [0,2,0,0,0,0|1,0,0]=3 4799 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Cl 269982a_100000741648_200025704644 [0,2,0,0,0,0|1,0,0]=3 4800 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)Cl 34a_100000741648_200025704644 [0,2,0,0,0,0|1,0,0]=3 4801 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)F 2230a_100000742875_200025704644 [0,2,0,0,0,0|1,0,0]=3 4802 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)F 269982a_100000742875_200025704644 [0,2,0,0,0,0|1,0,0]=3 4803 B14R2.269 [13CH3]N1CCCC1c2cccc(c2)F 34a_100000742875_200025704644 [0,2,0,0,0,0|1,0,0]=3 4804 B14R2.269 [13CH3]N1CCCC1c2cncc(c2)Br 2230a_100012340264_200025704644 [0,2,0,0,0,0|0,0,0]=2 4805 B14R2.269 [13CH3]N1CCCC1c2cncc(c2)Br 269982a_100012340264_200025704644 [0,2,0,0,0,0|0,0,0]=2 4806 B14R2.306 Cc1cnc(c(c1)C2=CCCC2)C 271570a_100000089523_100009817436 [0,2,0,0,0,0|1,0,1]=4 4807 B14R2.306 Cc1cnc(c(c1)C2=CCCC2)Cl 271570a_100000089523_100010210167 [0,2,0,0,0,0|1,0,1]=4 4808 B14R2.306 Cc1cnc(c(c1)C2=CCCC2)F 271570a_100000089523_100000049784 [0,2,0,0,0,0|1,0,1]=4 4809 B14R2.306 Cc1cnc(c(c1)C2=CCCC2)N 271570a_100000089523_100000049664 [0,2,0,0,0,0|1,0,1]=4 4810 B14R2.306 Cc1cnc(c(c1)C2=CCCC2)O 271570a_100000089523_100000049931 [0,2,0,0,0,0|1,0,1]=4 4811 B14R2.306 Cc1cnc(c(c1)N2CCCC2)F 27a_100000188435_100009820679 [0,2,0,0,0,0|2,0,0]=4 4812 B14R2.306 Cc1ncc(cc1C2=CCCC2)Br 271570a_100000089523_200010090566 [0,2,0,0,0,0|1,0,1]=4 4813 B14R2.306 Cc1ncc(cc1C2=CCCC2)F 271570a_100000089523_100009860710 [0,2,0,0,0,0|1,0,1]=4 4814 B14R2.306 Cc1ncc(cc1C2=CCCC2)N 271570a_100000089523_100011998591 [0,2,0,0,0,0|1,0,1]=4 4815 B14R2.306 Cc1ncc(cc1C2=CCCC2)O 271570a_100000089523_100009819603 [0,2,0,0,0,0|1,0,1]=4 4816 B14R2.306 Clc1cnc(c(c1)C2=CCCC2)Cl 271570a_100000089523_200000062399 [0,2,0,0,0,0|1,0,1]=4 4817 B14R2.306 Clc1ncc(cc1C2=CCCC2)Br 271570a_100000089523_100009814771 [0,2,0,0,0,0|1,0,1]=4 4818 B14R2.306 Fc1cnc(c(c1)C2=CCCC2)F 271570a_100000089523_100009820768 [0,2,0,0,0,0|1,0,1]=4 4819 B14R2.306 Fc1ncc(cc1C2=CCCC2)Br 271570a_100000089523_100010172738 [0,2,0,0,0,0|1,0,1]=4 4820 B14R2.306 Fc1ncc(cc1C2=CCCC2)Cl 271570a_100000089523_100010188783 [0,2,0,0,0,0|1,0,1]=4 4821 B14R2.306 Fc1ncc(cc1N2CCCC2)Br 27a_100000188435_100010172738 [0,2,0,0,0,0|2,0,0]=4 4822 B14R2.306 Fc1ncc(cc1N2CCCC2)Cl 27a_100000188435_100010188783 [0,2,0,0,0,0|2,0,0]=4 4823 B14R2.306 Nc1cnc(c(c1)C2=CCCC2)Br 271570a_100000089523_100010201102 [0,2,0,0,0,0|1,0,1]=4 4824 B14R2.306 Nc1cnc(c(c1)C2=CCCC2)Cl 271570a_100000089523_100010253917 [0,2,0,0,0,0|1,0,1]=4 4825 B14R2.306 Nc1cnc(c(c1)C2=CCCC2)F 271570a_100000089523_100009840397 [0,2,0,0,0,0|1,0,1]=4 4826 B14R2.306 Nc1cnc(c(c1)C2=CCCC2)N 271570a_100000089523_200011934315 [0,2,0,0,0,0|1,0,1]=4 4827 B14R2.306 Nc1ncc(cc1C2=CCCC2)Br 271570a_100000089523_100000760472 [0,2,0,0,0,0|1,0,1]=4 4828 B14R2.306 Nc1ncc(cc1C2=CCCC2)Cl 271570a_100000089523_100000050159 [0,2,0,0,0,0|1,0,1]=4 4829 B14R2.306 Nc1ncc(cc1C2=CCCC2)F 271570a_100000089523_100009814671 [0,2,0,0,0,0|1,0,1]=4 4830 B14R2.306 Oc1cnc(c(c1)C2=CCCC2)F 271570a_100000089523_100009817267 [0,2,0,0,0,0|1,0,1]=4 4831 B14R2.306 Oc1ncc(cc1C2=CCCC2)Br 271570a_100000089523_100010197142 [0,2,0,0,0,0|1,0,1]=4 4832 B14R2.306 Oc1ncc(cc1C2=CCCC2)Cl 271570a_100000089523_100010188700 [0,2,0,0,0,0|1,0,1]=4 4833 B14R2.4471 NC1(CCCC1)c2cccc(c2)O 271570a_203496583355_200011271485 [0,2,0,0,0,0|2,0,0]=4 4834 B14R2.4471 Oc1cccc(c1)C2(CCCC2)O 271570a_203496583355_100010765679 [0,2,0,0,0,0|2,0,0]=4 4835 B14R2.14 CCN1CCCC1c2ccccc2 2230a_100000243309_100000210202 [0,2,0,0,0,0|1,0,0]=3 4836 B14R2.14 CCN1CCCC1c2ccccc2 269982a_100000243309_100000204670 [0,2,0,0,0,0|1,0,0]=3 4837 B14R2.14 CCN1CCCC1c2ccccc2 34a_100000243309_100000210202 [0,2,0,0,0,0|1,0,0]=3 4838 B14R2.14 CCN1CCCC1c2ccccn2 2230a_100000744244_100000210202 [0,2,0,0,0,0|2,0,0]=4 4839 B14R2.14 CCN1CCCC1c2ccccn2 269982a_100000744244_100000204670 [0,2,0,0,0,0|2,0,0]=4 4840 B14R2.14 CCN1CCCC1c2cccnc2 2230a_100000233489_100000210202 [0,2,0,0,0,0|0,0,0]=2 4841 B14R2.14 CCN1CCCC1c2cccnc2 269982a_100000233489_100000204670 [0,2,0,0,0,0|0,0,0]=2 4842 B14R2.14 CCN1CCCC1c2ccncc2 2230a_106446545576_100000210202 [0,2,0,0,0,0|2,0,0]=4 4843 B14R2.14 CCN1CCCC1c2ccncc2 269982a_106446545576_100000204670 [0,2,0,0,0,0|2,0,0]=4 4844 B14R2.14 CCN1CCSC1c2ccccc2 2230a_100000215944_100000210202 [0,2,0,0,0,0|2,0,0]=4 4845 B14R2.14 CCN1CCSC1c2ccccc2 269982a_100000215944_100000204670 [0,2,0,0,0,0|2,0,0]=4 4846 B14R2.14 CCN1CCSC1c2ccccc2 34a_100000215944_100000210202 [0,2,0,0,0,0|2,0,0]=4 4847 B14R2.14 CCN1CCSC1c2ccccc2 7a_100000215944_100000210202 [0,2,0,0,0,0|2,0,0]=4 4848 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200000210301 [0,2,0,0,0,0|2,0,0]=4 4849 B14R2.14 CN[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200000210301 [0,2,0,0,0,0|2,0,0]=4 4850 B14R2.14 FCN1CCCC1c2ccccc2 269982a_100000243309_100015361967 [0,2,0,0,0,0|1,0,0]=3 4851 B14R2.14 FCN1CCCC1c2ccccc2 34a_100000243309_100015361967 [0,2,0,0,0,0|1,0,0]=3 4852 B14R2.14 FCN1CCCC1c2ccccn2 269982a_100000744244_100015361967 [0,2,0,0,0,0|2,0,0]=4 4853 B14R2.14 FCN1CCCC1c2cccnc2 269982a_100000233489_100015361967 [0,2,0,0,0,0|0,0,0]=2 4854 B14R2.14 FCN1CCCC1c2ccncc2 269982a_106446545576_100015361967 [0,2,0,0,0,0|2,0,0]=4 4855 B14R2.14 FCN1CCSC1c2ccccc2 269982a_100000215944_100015361967 [0,2,0,0,0,0|2,0,0]=4 4856 B14R2.14 FCN1CCSC1c2ccccc2 34a_100000215944_100015361967 [0,2,0,0,0,0|2,0,0]=4 4857 B14R2.14 FCN1CCSC1c2ccccc2 7a_100000215944_100015361967 [0,2,0,0,0,0|2,0,0]=4 4858 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 2230a_100009885948_200025704644 [0,2,0,0,0,0|2,0,0]=4 4859 B14R2.14 [13CH3]N[C@@H]1CCC[C@@H]1c2ccccc2 34a_100009885948_200025704644 [0,2,0,0,0,0|2,0,0]=4 4860 B14R2.296 CN1CCCC1c2ccccc2Br 2230a_100000686366_200000210301 [0,2,0,0,0,0|1,0,0]=3 4861 B14R2.296 CN1CCCC1c2ccccc2Br 269982a_100000686366_200000210301 [0,2,0,0,0,0|1,0,0]=3 4862 B14R2.296 CN1CCCC1c2ccccc2Br 34a_100000686366_200000210301 [0,2,0,0,0,0|1,0,0]=3 4863 B14R2.296 CN1CCCC1c2ccccc2Cl 2230a_100000742539_200000210301 [0,2,0,0,0,0|1,0,0]=3 4864 B14R2.296 CN1CCCC1c2ccccc2Cl 269982a_100000742539_200000210301 [0,2,0,0,0,0|1,0,0]=3 4865 B14R2.296 CN1CCCC1c2ccccc2Cl 34a_100000742539_200000210301 [0,2,0,0,0,0|1,0,0]=3 4866 B14R2.296 CN1CCCC1c2ccccc2F 2230a_100011206064_200000210301 [0,2,0,0,0,0|1,0,0]=3 4867 B14R2.296 CN1CCCC1c2ccccc2F 269982a_100011206064_200000210301 [0,2,0,0,0,0|1,0,0]=3 4868 B14R2.296 CN1CCCC1c2ccccc2F 34a_100011206064_200000210301 [0,2,0,0,0,0|1,0,0]=3 4869 B14R2.296 Cc1ccccc1C2CCCN2C 2230a_100000742541_200000210301 [0,2,0,0,0,0|1,0,0]=3 4870 B14R2.296 Cc1ccccc1C2CCCN2C 269982a_100000742541_200000210301 [0,2,0,0,0,0|1,0,0]=3 4871 B14R2.296 Cc1ccccc1C2CCCN2C 34a_100000742541_200000210301 [0,2,0,0,0,0|1,0,0]=3 4872 B14R2.296 Cc1ccccc1C2CCCN2[13CH3] 2230a_100000742541_200025704644 [0,2,0,0,0,0|1,0,0]=3 4873 B14R2.296 Cc1ccccc1C2CCCN2[13CH3] 269982a_100000742541_200025704644 [0,2,0,0,0,0|1,0,0]=3 4874 B14R2.296 Cc1ccccc1C2CCCN2[13CH3] 34a_100000742541_200025704644 [0,2,0,0,0,0|1,0,0]=3 4875 B14R2.296 [13CH3]N1CCCC1c2ccccc2Br 2230a_100000686366_200025704644 [0,2,0,0,0,0|1,0,0]=3 4876 B14R2.296 [13CH3]N1CCCC1c2ccccc2Br 269982a_100000686366_200025704644 [0,2,0,0,0,0|1,0,0]=3 4877 B14R2.296 [13CH3]N1CCCC1c2ccccc2Br 34a_100000686366_200025704644 [0,2,0,0,0,0|1,0,0]=3 4878 B14R2.296 [13CH3]N1CCCC1c2ccccc2Cl 2230a_100000742539_200025704644 [0,2,0,0,0,0|1,0,0]=3 4879 B14R2.296 [13CH3]N1CCCC1c2ccccc2Cl 269982a_100000742539_200025704644 [0,2,0,0,0,0|1,0,0]=3 4880 B14R2.296 [13CH3]N1CCCC1c2ccccc2Cl 34a_100000742539_200025704644 [0,2,0,0,0,0|1,0,0]=3 4881 B14R2.296 [13CH3]N1CCCC1c2ccccc2F 2230a_100011206064_200025704644 [0,2,0,0,0,0|1,0,0]=3 4882 B14R2.296 [13CH3]N1CCCC1c2ccccc2F 269982a_100011206064_200025704644 [0,2,0,0,0,0|1,0,0]=3 4883 B14R2.296 [13CH3]N1CCCC1c2ccccc2F 34a_100011206064_200025704644 [0,2,0,0,0,0|1,0,0]=3 4884 B14R2.98 C=Cc1ccccc1C2CCCN2 271570a_100011290941_100000686366 [0,2,0,0,0,0|1,0,0]=3 4885 B14R2.98 CCc1ccncc1C2=CCCC2 271570a_100000089523_100009819861 [0,2,0,0,0,0|1,0,1]=4 4886 B14R2.98 CCc1ncccc1C2=CCCC2 271570a_100000089523_100009877225 [0,2,0,0,0,0|1,0,1]=4 4887 B14R2.98 CNc1ccncc1C2=CCCC2 271570a_100000089523_100010069531 [0,2,0,0,0,0|1,0,1]=4 4888 B14R2.98 CNc1ncccc1C2=CCCC2 271570a_100000089523_100000700899 [0,2,0,0,0,0|1,0,1]=4 4889 B14R2.98 COc1ccccc1C2CCCC2 34a_100000032629_200000210301 [0,2,0,0,0,0|2,0,0]=4 4890 B14R2.98 COc1ccccc1C2CCCC2 7a_100000032629_200000210301 [0,2,0,0,0,0|2,0,0]=4 4891 B14R2.98 COc1ccncc1C2=CCCC2 271570a_100000089523_100011997281 [0,2,0,0,0,0|1,0,1]=4 4892 B14R2.98 COc1ncccc1C2=CCCC2 271570a_100000089523_100000047025 [0,2,0,0,0,0|1,0,1]=4 4893 B14R2.98 CSc1ccccc1C2CCCN2 62a_100000686366_200000210301 [0,2,0,0,0,0|1,0,0]=3 4894 B14R2.98 CSc1ccccc1C2CCCN2 62a_200000210301_100000686366 [0,2,0,0,0,0|1,0,0]=3 4895 B14R2.98 CSc1ncccc1C2=CCCC2 271570a_100000089523_100011465278 [0,2,0,0,0,0|1,0,1]=4 4896 B14R2.98 N#Cc1ccncc1C2=CCCC2 271570a_100000089523_100000684818 [0,2,0,0,0,0|1,0,1]=4 4897 B14R2.98 N#Cc1ccncc1N2CCCC2 27a_100000188435_100000684818 [0,2,0,0,0,0|2,0,0]=4 4898 B14R2.98 N#Cc1ncccc1C2=CCCC2 271570a_100000089523_100000685805 [0,2,0,0,0,0|1,0,1]=4 4899 B14R2.98 NCc1ccncc1C2=CCCC2 271570a_100000089523_100020640021 [0,2,0,0,0,0|1,0,1]=4 4900 B14R2.98 NCc1ncccc1C2=CCCC2 271570a_100000089523_100020591323 [0,2,0,0,0,0|1,0,1]=4 4901 B14R2.98 NNc1ccncc1C2=CCCC2 271570a_100000089523_100013404636 [0,2,0,0,0,0|1,0,1]=4 4902 B14R2.98 NNc1ncccc1C2=CCCC2 271570a_100000089523_100011464834 [0,2,0,0,0,0|1,0,1]=4 4903 B14R2.98 O=Cc1ccncc1C2=CCCC2 271570a_100000089523_100011934409 [0,2,0,0,0,0|1,0,1]=4 4904 B14R2.98 O=Cc1ncccc1C2=CCCC2 271570a_100000089523_100011934733 [0,2,0,0,0,0|1,0,1]=4 4905 B14R2.98 OCc1ccncc1C2=CCCC2 271570a_100000089523_100009873359 [0,2,0,0,0,0|1,0,1]=4 4906 B14R2.98 OCc1ncccc1C2=CCCC2 271570a_100000089523_100011996772 [0,2,0,0,0,0|1,0,1]=4 4907 B14R2.98 [13CH3]Oc1ccccc1C2CCCC2 34a_100000032629_200025704644 [0,2,0,0,0,0|2,0,0]=4 4908 B14R2.98 [13CH3]Oc1ccccc1C2CCCC2 7a_100000032629_200025704644 [0,2,0,0,0,0|2,0,0]=4 4909 B14R2.98 [13CH3]Sc1ccccc1C2CCCN2 62a_100000686366_200025704644 [0,2,0,0,0,0|1,0,0]=3 4910 B14R2.98 [13CH3]Sc1ccccc1C2CCCN2 62a_200025704644_100000686366 [0,2,0,0,0,0|1,0,0]=3 4911 B14R2.9066 Cc1ccnc(c1C2=CCCC2)C 271570a_100000089523_100012000501 [0,2,0,0,0,0|1,0,1]=4 4912 B14R2.9066 Cc1ccnc(c1C2=CCCC2)F 271570a_100000089523_100009818256 [0,2,0,0,0,0|1,0,1]=4 4913 B14R2.9066 Cc1ccnc(c1C2=CCCC2)N 271570a_100000089523_100011998619 [0,2,0,0,0,0|1,0,1]=4 4914 B14R2.9066 Cc1ccnc(c1C2=CCCC2)O 271570a_100000089523_100012000493 [0,2,0,0,0,0|1,0,1]=4 4915 B14R2.9066 Cc1ccnc(c1N2CCCC2)F 27a_100000188435_100009818256 [0,2,0,0,0,0|2,0,0]=4 4916 B14R2.9066 Cc1nccc(c1C2=CCCC2)N 271570a_100000089523_100010243816 [0,2,0,0,0,0|1,0,1]=4 4917 B14R2.9066 Fc1ccnc(c1C2=CCCC2)F 271570a_100000089523_100009874084 [0,2,0,0,0,0|1,0,1]=4 4918 B14R2.9066 Fc1ccnc(c1N2CCCC2)F 27a_100000188435_100009874084 [0,2,0,0,0,0|2,0,0]=4 4919 B14R2.9066 Nc1ccnc(c1C2=CCCC2)F 271570a_100000089523_100010381272 [0,2,0,0,0,0|1,0,1]=4 4920 B14R2.9066 Nc1nccc(c1C2=CCCC2)Cl 271570a_100000089523_100010199028 [0,2,0,0,0,0|1,0,1]=4 4921 B14R2.9066 Oc1ccnc(c1C2=CCCC2)O 271570a_100000089523_200009817435 [0,2,0,0,0,0|1,0,1]=4 4922 B14R2.9066 Oc1ccnc(c1C2OCCO2)Cl 271570a_203496583355_202517111454 [0,2,0,0,0,0|2,0,0]=4 4923 B14R2.2974 CNC1(CCCC1)c2ccccc2 2230a_100025739779_200000210301 [0,2,0,0,0,0|2,0,0]=4 4924 B14R2.2974 CNC1(CCCC1)c2ccccc2 34a_100025739779_200000210301 [0,2,0,0,0,0|2,0,0]=4 4925 B14R2.2974 [13CH3]NC1(CCCC1)c2ccccc2 2230a_100025739779_200025704644 [0,2,0,0,0,0|2,0,0]=4 4926 B14R2.2974 [13CH3]NC1(CCCC1)c2ccccc2 34a_100025739779_200025704644 [0,2,0,0,0,0|2,0,0]=4 4927 B12R2.1 CNC1CCc2c1cccc2 2230a_106832991635_200000721974 [0,0,1,1,0,0|1,0,0]=3 4928 B12R2.1 CNC1CCc2c1cccc2 269862a_106832991636_100000212051 [0,0,1,1,0,0|1,0,0]=3 4929 B12R2.1 CNC1COc2c1cccc2 2230a_100000747519_200000210301 [0,0,1,1,0,0|2,0,0]=4 4930 B12R2.1 CN[C@H]1CCc2c1cccc2 2230a_100016989578_200000210301 [0,0,1,1,0,0|1,0,0]=3 4931 B12R2.1 CN[C@H]1CCc2c1cccc2 34a_100016989578_200000210301 [0,0,1,1,0,0|1,0,0]=3 4932 B12R2.1 COC1CCc2c1cccc2 34a_100000212247_200000210301 [0,0,1,1,0,0|2,0,0]=4 4933 B12R2.1 COC1CCc2c1cccc2 7a_100000212247_200000210301 [0,0,1,1,0,0|2,0,0]=4 4934 B12R2.1 CSC1CCc2c1cccc2 62a_200000210301_200000721974 [0,0,1,1,0,0|2,0,0]=4 4935 B12R2.1 [13CH3]NC1COc2c1cccc2 2230a_100000747519_200025704644 [0,0,1,1,0,0|2,0,0]=4 4936 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 2230a_100016989578_200025704644 [0,0,1,1,0,0|1,0,0]=3 4937 B12R2.1 [13CH3]N[C@H]1CCc2c1cccc2 34a_100016989578_200025704644 [0,0,1,1,0,0|1,0,0]=3 4938 B12R2.1 [13CH3]OC1CCc2c1cccc2 34a_100000212247_200025704644 [0,0,1,1,0,0|2,0,0]=4 4939 B12R2.1 [13CH3]OC1CCc2c1cccc2 7a_100000212247_200025704644 [0,0,1,1,0,0|2,0,0]=4 4940 B12R2.1 [13CH3]SC1CCc2c1cccc2 62a_200025704644_200000721974 [0,0,1,1,0,0|2,0,0]=4 4941 B12R2.48 CNC1(CC1)c2ccccc2 2230a_100000749958_200000210301 [0,0,1,1,0,0|1,0,0]=3 4942 B12R2.48 CNC1(CC1)c2ccccn2 2230a_100000727909_200000210301 [0,0,1,1,0,0|2,0,0]=4 4943 B12R2.48 CNC1(CC1)c2cccnc2 2230a_100020592340_200000210301 [0,0,1,1,0,0|0,0,0]=2 4944 B12R2.48 [13CH3]NC1(CC1)c2ccccc2 2230a_100000749958_200025704644 [0,0,1,1,0,0|1,0,0]=3 4945 B12R2.48 [13CH3]NC1(CC1)c2ccccn2 2230a_100000727909_200025704644 [0,0,1,1,0,0|2,0,0]=4 4946 B12R2.48 [13CH3]NC1(CC1)c2cccnc2 2230a_100020592340_200025704644 [0,0,1,1,0,0|0,0,0]=2 4947 B12R2.931 CCSC1Cc2c1cccc2 62a_100000210202_100009813401 [0,0,1,1,0,0|2,0,0]=4 4948 B12R2.931 CCSC1Cc2c1cccc2 62a_100009813401_100000210202 [0,0,1,1,0,0|2,0,0]=4 4949 B12R2.2075 C=C(c1cccnc1)C2CC2 271570a_100010895485_100000752921 [0,0,1,1,0,0|1,0,1]=4 4950 B12R2.2057 C(#CC1CC1)c2cccnc2 271570a_200009880635_100000752921 [0,0,1,1,0,0|1,0,1]=4 4951 B12R2.2057 C(=CC1CC1)c2cccnc2 271570a_100102526188_100000752921 [0,0,1,1,0,0|1,0,1]=4 4952 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100000212008_100015291786 [0,0,1,1,0,0|1,0,0]=3 4953 B12R2.2057 c1ccc(cc1)CNC2CC2 34a_100015324214_100000211595 [0,0,1,1,0,0|1,0,0]=3 4954 B12R2.2057 c1ccc(cc1)COC2CC2 34a_100000210790_100000211595 [0,0,1,1,0,0|2,0,0]=4 4955 B12R2.2057 c1ccc(cc1)CSC2CC2 62a_100000211182_100000211595 [0,0,1,1,0,0|2,0,0]=4 4956 B12R2.2057 c1ccc(nc1)CNC2CC2 34a_100000212008_100000721315 [0,0,1,1,0,0|2,0,0]=4 4957 B12R2.2057 c1cnc(cn1)CNC2CC2 34a_100000212008_100016995436 [0,0,1,1,0,0|1,0,0]=3 4958 B12R2.2057 c1cnc(cn1)CSC2CC2 62a_100016995436_100000211595 [0,0,1,1,0,0|2,0,0]=4 4959 B12R2.2057 c1cncc(c1)CNC2CC2 34a_100000212008_100000733263 [0,0,1,1,0,0|0,0,0]=2 4960 B12R2.2057 c1cncc(c1)CSC2CC2 62a_100000741622_100000211595 [0,0,1,1,0,0|1,0,0]=3 4961 B12R2.2057 c1cncc(c1)OCC2CC2 34a_100000210849_100000742324 [0,0,1,1,0,0|2,0,0]=4 4962 B12R2.2057 c1cncc(c1)OCC2CC2 7a_100000210849_100000742324 [0,0,1,1,0,0|2,0,0]=4 4963 B12R2.2057 c1cncc(c1)OCC2CO2 34a_100000210849_102125554688 [0,0,1,1,0,0|2,0,0]=4 4964 B12R2.2057 c1cncc(c1)OCC2CO2 7a_100000210849_102125554688 [0,0,1,1,0,0|2,0,0]=4 4965 B12R2.2057 c1cncc(c1)OCC2CS2 7a_100000210849_100000031435 [0,0,1,1,0,0|2,0,0]=4 4966 B12R2.2057 c1cncc(c1)OC[C@@H]2CO2 7a_100000210849_100000745022 [0,0,1,1,0,0|2,0,0]=4 4967 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000210063_100000742324 [0,0,1,1,0,0|2,0,0]=4 4968 B12R2.2057 c1cncc(c1)SCC2CC2 62a_100000756562_100000210063 [0,0,1,1,0,0|2,0,0]=4 4969 B12R2.2057 c1cncc(c1)SCC2CO2 62a_100000210063_102125554688 [0,0,1,1,0,0|2,0,0]=4 4970 B12R2.2057 c1cncc(c1)SCC2CO2 62a_102125554688_100000210063 [0,0,1,1,0,0|2,0,0]=4 4971 B12R2.2057 c1cncc(c1)SCC2CS2 62a_100000031435_100000210063 [0,0,1,1,0,0|2,0,0]=4 4972 B12R2.2057 c1cncc(c1)SCC2CS2 62a_100000210063_100000031435 [0,0,1,1,0,0|2,0,0]=4 4973 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000210063_100000745022 [0,0,1,1,0,0|2,0,0]=4 4974 B12R2.2057 c1cncc(c1)SC[C@@H]2CO2 62a_100000745022_100000210063 [0,0,1,1,0,0|2,0,0]=4 4975 B12R2.2057 c1cnnc(c1)CNC2CC2 34a_100000212008_100016990269 [0,0,1,1,0,0|1,0,0]=3 4976 B12R2.2057 c1cnnc(c1)CSC2CC2 62a_100016990269_100000211595 [0,0,1,1,0,0|2,0,0]=4 4977 B12R2.2057 c1ncc(cn1)CNC2CC2 34a_100000212008_100015196519 [0,0,1,1,0,0|1,0,0]=3 4978 B12R2.2057 c1ncc(cn1)CSC2CC2 62a_100015196519_100000211595 [0,0,1,1,0,0|2,0,0]=4 4979 B12R2.2058 c1cc(ccn1)CN2CCC2 269982a_100000754969_100015193705 [0,0,1,1,0,0|2,0,0]=4 4980 B12R2.2058 c1ccc(cc1)CN2CCC2 269982a_100000754969_100000211182 [0,0,1,1,0,0|1,0,0]=3 4981 B12R2.2058 c1ccc(nc1)CN2CCC2 269982a_100000754969_100000721315 [0,0,1,1,0,0|2,0,0]=4 4982 B12R2.2058 c1cnc(cn1)CN2CCC2 269982a_100000754969_100016995436 [0,0,1,1,0,0|1,0,0]=3 4983 B12R2.2058 c1cncc(c1)CN2CCC2 269982a_100000754969_100000733263 [0,0,1,1,0,0|0,0,0]=2 4984 B12R2.2058 c1cncc(c1)OC2CCC2 34a_100000210849_100000749161 [0,0,1,1,0,0|2,0,0]=4 4985 B12R2.2058 c1cncc(c1)SC2CCC2 62a_100000210063_100000749161 [0,0,1,1,0,0|2,0,0]=4 4986 B12R2.2058 c1ncc(cn1)CN2CCC2 269982a_100000754969_100016991940 [0,0,1,1,0,0|1,0,0]=3 4987 B10R1.178 C=CC=CC(=O)C1CCC1 1458a_100016291481_100000749161 [0,0,1,0,1,0|2,0,0]=4 4988 B10R2.6 c1cc(ccn1)C2CC2 271570a_100011220607_100000035832 [0,0,0,0,2,0|2,0,0]=4 4989 B10R2.6 c1cc(cnn1)C2CC2 271570a_100011220607_100000732662 [0,0,0,0,2,0|1,0,0]=3 4990 B10R2.6 c1ccc(cc1)C2CC2 271570a_100011220607_100000210277 [0,0,0,0,2,0|1,0,0]=3 4991 B10R2.6 c1ccc(nc1)C2CC2 271570a_100011220607_100011216584 [0,0,0,0,2,0|2,0,0]=4 4992 B10R2.6 c1cnc(cn1)C2CC2 271570a_100011220607_100000758340 [0,0,0,0,2,0|1,0,0]=3 4993 B10R2.6 c1cncc(c1)C2CC2 271570a_100011220607_100000752921 [0,0,0,0,2,0|0,0,0]=2 4994 B10R2.6 c1cnnc(c1)C2CC2 271570a_100011220607_100016991348 [0,0,0,0,2,0|1,0,0]=3 4995 B10R2.6 c1ncc(cn1)C2CC2 271570a_100011220607_100011206942 [0,0,0,0,2,0|1,0,0]=3 4996 B10R2.6 c1nnncc1C2CC2 271570a_100011220607_100009846058 [0,0,0,0,2,0|2,0,0]=4 4997 B12R1.118 CCC(CC)Nc1cccnn1 27a_100000199018_100016991348 [0,0,1,0,0,1|2,0,0]=4 4998 B12R1.118 CCC(CC)Nc1cnccn1 27a_100000199018_100000211759 [0,0,1,0,0,1|2,0,0]=4 4999 B12R1.118 CCC(CC)Oc1ccccc1 7a_100000210340_100000210505 [0,0,1,0,0,1|2,0,0]=4 5000 B12R1.118 CCC(CC)Oc1cccnc1 7a_100000210849_100000210505 [0,0,1,0,0,1|1,0,0]=3 5001 B12R1.118 CCC(CC)Oc1cncnc1 7a_100000754086_100000210505 [0,0,1,0,0,1|2,0,0]=4 5002 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000210505_100000041952 [0,0,1,0,0,1|2,0,0]=4 5003 B12R1.118 CCC(CC)Sc1ccccc1 62a_100000719477_100000210505 [0,0,1,0,0,1|2,0,0]=4 5004 B12R1.118 CCC(CC)Sc1cccnc1 62a_100000210063_100000210505 [0,0,1,0,0,1|1,0,0]=3 5005 B12R1.118 CCC(CC)Sc1cccnc1 62a_100000210505_100000210063 [0,0,1,0,0,1|1,0,0]=3 5006 B12R1.118 CCC(CC)Sc1cccnn1 62a_100000210505_100016991348 [0,0,1,0,0,1|2,0,0]=4 5007 B12R1.118 CCC(CC)Sc1cccnn1 62a_100016991348_100000210505 [0,0,1,0,0,1|2,0,0]=4 5008 B12R1.118 CCC(CC)Sc1ccnnc1 62a_100000210505_100000732662 [0,0,1,0,0,1|2,0,0]=4 5009 B12R1.118 CCC(CC)Sc1ccnnc1 62a_100000732662_100000210505 [0,0,1,0,0,1|2,0,0]=4 5010 B12R1.118 CCC(CC)Sc1cnccn1 62a_100000210505_100000211759 [0,0,1,0,0,1|2,0,0]=4 5011 B12R1.118 CCC(CC)Sc1cnccn1 62a_100000211759_100000210505 [0,0,1,0,0,1|2,0,0]=4 5012 B12R1.118 CCC(CC)Sc1cncnc1 62a_100000210505_100011206942 [0,0,1,0,0,1|2,0,0]=4 5013 B12R1.118 CCC(CC)Sc1cncnc1 62a_100011206942_100000210505 [0,0,1,0,0,1|2,0,0]=4 5014 B12R1.118 CCC(Cc1ccccc1)NC 270004a_106832991635_100000212045 [0,0,1,0,0,1|1,0,0]=3 5015 B12R1.118 CCC(Cc1ccccc1)OC 7a_100000760156_200000210301 [0,0,1,0,0,1|2,0,0]=4 5016 B12R1.118 CCC(Cc1ccccc1)O[13CH3] 7a_100000760156_200025704644 [0,0,1,0,0,1|2,0,0]=4 5017 B12R1.118 CCN(CC)Cc1cccnc1 2230a_100000186920_100000210202 [0,0,1,0,0,1|2,0,0]=4 5018 B12R1.118 CCN(CC)Cc1cccnc1 2230a_100000724800_100000741622 [0,0,1,0,0,1|2,0,0]=4 5019 B12R1.118 CCN(CC)Cc1cccnc1 269956a_100000042499_100000733263 [0,0,1,0,0,1|2,0,0]=4 5020 B12R1.118 CCN(CC)Cc1cccnc1 269982a_100000186920_100000204670 [0,0,1,0,0,1|2,0,0]=4 5021 B12R1.118 CCN(CC)Cc1cccnc1 269982a_100000724800_100000733263 [0,0,1,0,0,1|2,0,0]=4 5022 B12R1.118 CCN(CC)Cc1cccnc1 270004a_100000724800_100000209961 [0,0,1,0,0,1|2,0,0]=4 5023 B12R1.118 CNC(CO)Cc1ccccc1 2230a_100000739027_200000210301 [0,0,1,0,0,1|2,0,0]=4 5024 B12R1.118 CNC(CO)Cc1cccnc1 2230a_100000717814_200000210301 [0,0,1,0,0,1|1,0,0]=3 5025 B12R1.118 [13CH3]NC(CO)Cc1ccccc1 2230a_100000739027_200025704644 [0,0,1,0,0,1|2,0,0]=4 5026 B12R1.118 [13CH3]NC(CO)Cc1cccnc1 2230a_100000717814_200025704644 [0,0,1,0,0,1|1,0,0]=3 5027 B14R2.6 C1=CC(CCC1)Oc2ccccc2 7a_100000210340_100000751183 [0,0,0,0,0,2|2,0,0]=4 5028 B14R2.6 C1=CC(CCC1)Oc2cccnc2 7a_100000210849_100000751183 [0,0,0,0,0,2|1,0,0]=3 5029 B14R2.6 C1=CC(CCC1)Oc2cncnc2 7a_100000754086_100000751183 [0,0,0,0,0,2|2,0,0]=4 5030 B14R2.6 C1=CC(CCC1)Sc2ccccc2 62a_100000719477_100000751183 [0,0,0,0,0,2|2,0,0]=4 5031 B14R2.6 C1=CC(CCC1)Sc2ccccc2 62a_100000751183_100000041952 [0,0,0,0,0,2|2,0,0]=4 5032 B14R2.6 C1=CC(CCC1)Sc2cccnc2 62a_100000210063_100000751183 [0,0,0,0,0,2|1,0,0]=3 5033 B14R2.6 C1=CC(CCC1)Sc2cccnc2 62a_100000751183_100000210063 [0,0,0,0,0,2|1,0,0]=3 5034 B14R2.6 C1=CC(CCC1)Sc2cccnn2 62a_100000751183_100016991348 [0,0,0,0,0,2|2,0,0]=4 5035 B14R2.6 C1=CC(CCC1)Sc2cccnn2 62a_100016991348_100000751183 [0,0,0,0,0,2|2,0,0]=4 5036 B14R2.6 C1=CC(CCC1)Sc2ccnnc2 62a_100000732662_100000751183 [0,0,0,0,0,2|2,0,0]=4 5037 B14R2.6 C1=CC(CCC1)Sc2ccnnc2 62a_100000751183_100000732662 [0,0,0,0,0,2|2,0,0]=4 5038 B14R2.6 C1=CC(CCC1)Sc2cnccn2 62a_100000211759_100000751183 [0,0,0,0,0,2|2,0,0]=4 5039 B14R2.6 C1=CC(CCC1)Sc2cnccn2 62a_100000751183_100000211759 [0,0,0,0,0,2|2,0,0]=4 5040 B14R2.6 C1=CC(CCC1)Sc2cncnc2 62a_100000751183_100011206942 [0,0,0,0,0,2|2,0,0]=4 5041 B14R2.6 C1=CC(CCC1)Sc2cncnc2 62a_100011206942_100000751183 [0,0,0,0,0,2|2,0,0]=4 5042 B14R2.6 c1cc(cnn1)OC2CCCCC2 34a_100015204005_100000210327 [0,0,0,0,0,2|2,0,0]=4 5043 B14R2.6 c1cc(cnn1)OC2CCCOC2 34a_100015204005_100000693364 [0,0,0,0,0,2|2,0,0]=4 5044 B14R2.6 c1cc(cnn1)OC2CCSCC2 34a_100015204005_100000069128 [0,0,0,0,0,2|2,0,0]=4 5045 B14R2.6 c1cc(cnn1)SC2CCCCC2 62a_100000210327_100000732662 [0,0,0,0,0,2|2,0,0]=4 5046 B14R2.6 c1cc(cnn1)SC2CCCCC2 62a_100000732662_100000210327 [0,0,0,0,0,2|2,0,0]=4 5047 B14R2.6 c1cc(cnn1)SC2CCCOC2 62a_100000732662_100000693364 [0,0,0,0,0,2|2,0,0]=4 5048 B14R2.6 c1cc(cnn1)SC2CCOCC2 62a_100000732662_100011324220 [0,0,0,0,0,2|2,0,0]=4 5049 B14R2.6 c1cc(cnn1)SC2CCSCC2 62a_100000732662_100000069128 [0,0,0,0,0,2|2,0,0]=4 5050 B14R2.6 c1ccc(cc1)NC2CCCCC2 34a_100000106764_100000210327 [0,0,0,0,0,2|2,0,0]=4 5051 B14R2.6 c1ccc(cc1)NC2CCCOC2 34a_100000106764_100000693364 [0,0,0,0,0,2|2,0,0]=4 5052 B14R2.6 c1ccc(cc1)NC2CCSCC2 34a_100000106764_100000069128 [0,0,0,0,0,2|2,0,0]=4 5053 B14R2.6 c1ccc(cc1)OC2CCCCC2 34a_100000210340_100000210327 [0,0,0,0,0,2|2,0,0]=4 5054 B14R2.6 c1ccc(cc1)OC2CCCCC2 7a_100000210340_100000210327 [0,0,0,0,0,2|2,0,0]=4 5055 B14R2.6 c1ccc(cc1)OC2CCCOC2 34a_100000210340_100000693364 [0,0,0,0,0,2|2,0,0]=4 5056 B14R2.6 c1ccc(cc1)OC2CCCOC2 7a_100000210340_100000693364 [0,0,0,0,0,2|2,0,0]=4 5057 B14R2.6 c1ccc(cc1)OC2CCOCC2 7a_100000210340_100000686592 [0,0,0,0,0,2|2,0,0]=4 5058 B14R2.6 c1ccc(cc1)OC2CCSCC2 34a_100000210340_100000069128 [0,0,0,0,0,2|2,0,0]=4 5059 B14R2.6 c1ccc(cc1)OC2CCSCC2 7a_100000210340_100011500858 [0,0,0,0,0,2|2,0,0]=4 5060 B14R2.6 c1ccc(cc1)SC2CCCCC2 62a_100000210327_100000041952 [0,0,0,0,0,2|2,0,0]=4 5061 B14R2.6 c1ccc(cc1)SC2CCCCC2 62a_100000719477_100000210327 [0,0,0,0,0,2|2,0,0]=4 5062 B14R2.6 c1ccc(cc1)SC2CCCOC2 62a_100000719477_100000693364 [0,0,0,0,0,2|2,0,0]=4 5063 B14R2.6 c1ccc(cc1)SC2CCOCC2 62a_100000719477_100011324220 [0,0,0,0,0,2|2,0,0]=4 5064 B14R2.6 c1ccc(cc1)SC2CCSCC2 62a_100000719477_100000069128 [0,0,0,0,0,2|2,0,0]=4 5065 B14R2.6 c1cnc(cn1)NC2CCCCC2 27a_100000182618_100000211759 [0,0,0,0,0,2|2,0,0]=4 5066 B14R2.6 c1cnc(cn1)NC2CCCOC2 27a_100000719290_100000211759 [0,0,0,0,0,2|2,0,0]=4 5067 B14R2.6 c1cnc(cn1)NC2CCOCC2 27a_100000741149_100000211759 [0,0,0,0,0,2|2,0,0]=4 5068 B14R2.6 c1cnc(cn1)NC2CCSCC2 27a_100000748639_100000211759 [0,0,0,0,0,2|2,0,0]=4 5069 B14R2.6 c1cnc(cn1)SC2CCCCC2 62a_100000210327_100000211759 [0,0,0,0,0,2|2,0,0]=4 5070 B14R2.6 c1cnc(cn1)SC2CCCCC2 62a_100000211759_100000210327 [0,0,0,0,0,2|2,0,0]=4 5071 B14R2.6 c1cnc(cn1)SC2CCCOC2 62a_100000211759_100000693364 [0,0,0,0,0,2|2,0,0]=4 5072 B14R2.6 c1cnc(cn1)SC2CCOCC2 62a_100000211759_100011324220 [0,0,0,0,0,2|2,0,0]=4 5073 B14R2.6 c1cnc(cn1)SC2CCSCC2 62a_100000211759_100000069128 [0,0,0,0,0,2|2,0,0]=4 5074 B14R2.6 c1cncc(c1)CN2CCCOC2 2230a_100000131196_100000741622 [0,0,0,0,0,2|2,0,0]=4 5075 B14R2.6 c1cncc(c1)CN2CCCOC2 269982a_100000131196_100000733263 [0,0,0,0,0,2|2,0,0]=4 5076 B14R2.6 c1cncc(c1)CN2CCCOC2 270004a_100000131196_100000209961 [0,0,0,0,0,2|2,0,0]=4 5077 B14R2.6 c1cncc(c1)CN2CCCOC2 34a_100000131196_100000733263 [0,0,0,0,0,2|2,0,0]=4 5078 B14R2.6 c1cncc(c1)CN2CCOCC2 2230a_100015191051_100000741622 [0,0,0,0,0,2|2,0,0]=4 5079 B14R2.6 c1cncc(c1)CN2CCOCC2 269982a_100015191051_100000733263 [0,0,0,0,0,2|2,0,0]=4 5080 B14R2.6 c1cncc(c1)CN2CCOCC2 270004a_100015191051_100000209961 [0,0,0,0,0,2|2,0,0]=4 5081 B14R2.6 c1cncc(c1)CN2CCOCC2 34a_100015191051_100000733263 [0,0,0,0,0,2|2,0,0]=4 5082 B14R2.6 c1cncc(c1)CN2CCSCC2 2230a_100000737611_100000741622 [0,0,0,0,0,2|2,0,0]=4 5083 B14R2.6 c1cncc(c1)CN2CCSCC2 269982a_100000737611_100000733263 [0,0,0,0,0,2|2,0,0]=4 5084 B14R2.6 c1cncc(c1)CN2CCSCC2 270004a_100000737611_100000209961 [0,0,0,0,0,2|2,0,0]=4 5085 B14R2.6 c1cncc(c1)OC2CCCCC2 34a_100000210849_100000210327 [0,0,0,0,0,2|1,0,0]=3 5086 B14R2.6 c1cncc(c1)OC2CCCCC2 7a_100000210849_100000210327 [0,0,0,0,0,2|1,0,0]=3 5087 B14R2.6 c1cncc(c1)OC2CCCOC2 34a_100000210849_100000693364 [0,0,0,0,0,2|1,0,0]=3 5088 B14R2.6 c1cncc(c1)OC2CCCOC2 7a_100000210849_100000693364 [0,0,0,0,0,2|1,0,0]=3 5089 B14R2.6 c1cncc(c1)OC2CCOCC2 7a_100000210849_100000686592 [0,0,0,0,0,2|1,0,0]=3 5090 B14R2.6 c1cncc(c1)OC2CCSCC2 34a_100000210849_100000069128 [0,0,0,0,0,2|1,0,0]=3 5091 B14R2.6 c1cncc(c1)OC2CCSCC2 7a_100000210849_100011500858 [0,0,0,0,0,2|1,0,0]=3 5092 B14R2.6 c1cncc(c1)SC2CCCCC2 62a_100000210063_100000210327 [0,0,0,0,0,2|1,0,0]=3 5093 B14R2.6 c1cncc(c1)SC2CCCCC2 62a_100000210327_100000210063 [0,0,0,0,0,2|1,0,0]=3 5094 B14R2.6 c1cncc(c1)SC2CCCOC2 62a_100000210063_100000693364 [0,0,0,0,0,2|1,0,0]=3 5095 B14R2.6 c1cncc(c1)SC2CCOCC2 62a_100000210063_100011324220 [0,0,0,0,0,2|1,0,0]=3 5096 B14R2.6 c1cncc(c1)SC2CCSCC2 62a_100000210063_100000069128 [0,0,0,0,0,2|1,0,0]=3 5097 B14R2.6 c1cnnc(c1)NC2CCCCC2 27a_100000182618_100016991348 [0,0,0,0,0,2|2,0,0]=4 5098 B14R2.6 c1cnnc(c1)NC2CCCOC2 27a_100000719290_100016991348 [0,0,0,0,0,2|2,0,0]=4 5099 B14R2.6 c1cnnc(c1)NC2CCOCC2 27a_100000741149_100016991348 [0,0,0,0,0,2|2,0,0]=4 5100 B14R2.6 c1cnnc(c1)NC2CCSCC2 27a_100000748639_100016991348 [0,0,0,0,0,2|2,0,0]=4 5101 B14R2.6 c1cnnc(c1)SC2CCCCC2 62a_100000210327_100016991348 [0,0,0,0,0,2|2,0,0]=4 5102 B14R2.6 c1cnnc(c1)SC2CCCCC2 62a_100016991348_100000210327 [0,0,0,0,0,2|2,0,0]=4 5103 B14R2.6 c1cnnc(c1)SC2CCCOC2 62a_100016991348_100000693364 [0,0,0,0,0,2|2,0,0]=4 5104 B14R2.6 c1cnnc(c1)SC2CCOCC2 62a_100016991348_100011324220 [0,0,0,0,0,2|2,0,0]=4 5105 B14R2.6 c1cnnc(c1)SC2CCSCC2 62a_100016991348_100000069128 [0,0,0,0,0,2|2,0,0]=4 5106 B14R2.6 c1ncc(cn1)OC2CCCCC2 7a_100000754086_100000210327 [0,0,0,0,0,2|2,0,0]=4 5107 B14R2.6 c1ncc(cn1)OC2CCCOC2 7a_100000754086_100000693364 [0,0,0,0,0,2|2,0,0]=4 5108 B14R2.6 c1ncc(cn1)OC2CCOCC2 7a_100000754086_100000686592 [0,0,0,0,0,2|2,0,0]=4 5109 B14R2.6 c1ncc(cn1)OC2CCSCC2 7a_100000754086_100011500858 [0,0,0,0,0,2|2,0,0]=4 5110 B14R2.6 c1ncc(cn1)SC2CCCCC2 62a_100000210327_100011206942 [0,0,0,0,0,2|2,0,0]=4 5111 B14R2.6 c1ncc(cn1)SC2CCCCC2 62a_100011206942_100000210327 [0,0,0,0,0,2|2,0,0]=4 5112 B14R2.6 c1ncc(cn1)SC2CCCOC2 62a_100011206942_100000693364 [0,0,0,0,0,2|2,0,0]=4 5113 B14R2.6 c1ncc(cn1)SC2CCOCC2 62a_100011206942_100011324220 [0,0,0,0,0,2|2,0,0]=4 5114 B14R2.6 c1ncc(cn1)SC2CCSCC2 62a_100011206942_100000069128 [0,0,0,0,0,2|2,0,0]=4 5115 B14R2.1253 C1=C(CCCCC1)c2cccnc2 271570a_200009888920_100000752921 [0,0,0,0,0,2|1,0,1]=4 5116 B14R2.101 c1cc(cnn1)CNC2CCCC2 270004a_100000211070_100011934578 [0,0,0,0,0,2|2,0,0]=4 5117 B14R2.101 c1cc(cnn1)OCC2CCCC2 34a_100015204005_100000740388 [0,0,0,0,0,2|2,0,0]=4 5118 B14R2.101 c1cc(cnn1)SCC2CCCC2 62a_100000732662_100000740388 [0,0,0,0,0,2|2,0,0]=4 5119 B14R2.101 c1cc(cnn1)SCC2CCCC2 62a_100000740388_100000732662 [0,0,0,0,0,2|2,0,0]=4 5120 B14R2.101 c1cc(cnn1)SCC2CCCO2 62a_100000203698_100000732662 [0,0,0,0,0,2|2,0,0]=4 5121 B14R2.101 c1cc(cnn1)SCC2CCCO2 62a_100000732662_100000203698 [0,0,0,0,0,2|2,0,0]=4 5122 B14R2.101 c1ccc(cc1)CNC2CCCC2 207a_100000211070_100015611070 [0,0,0,0,0,2|2,0,0]=4 5123 B14R2.101 c1ccc(cc1)CNC2CCCC2 2230a_100000211070_100015291786 [0,0,0,0,0,2|2,0,0]=4 5124 B14R2.101 c1ccc(cc1)CNC2CCCC2 2230a_100015324214_100000179811 [0,0,0,0,0,2|2,0,0]=4 5125 B14R2.101 c1ccc(cc1)CNC2CCCC2 270004a_100000211070_100015611070 [0,0,0,0,0,2|2,0,0]=4 5126 B14R2.101 c1ccc(cc1)CNC2CCCC2 270004a_100015324214_100000210133 [0,0,0,0,0,2|2,0,0]=4 5127 B14R2.101 c1ccc(cc1)CNC2CCCC2 34a_100000211070_100015291786 [0,0,0,0,0,2|2,0,0]=4 5128 B14R2.101 c1ccc(cc1)CNC2CCCC2 34a_100015324214_100000179811 [0,0,0,0,0,2|2,0,0]=4 5129 B14R2.101 c1ccc(cc1)COC2CCCC2 34a_100000210269_100015291786 [0,0,0,0,0,2|2,0,0]=4 5130 B14R2.101 c1ccc(cc1)COC2CCCC2 34a_100000210790_100000179811 [0,0,0,0,0,2|2,0,0]=4 5131 B14R2.101 c1ccc(cc1)COC2CCCC2 7a_100000210269_100000211182 [0,0,0,0,0,2|2,0,0]=4 5132 B14R2.101 c1ccc(cc1)COC2CCCC2 7a_100000210790_100000179811 [0,0,0,0,0,2|2,0,0]=4 5133 B14R2.101 c1ccc(cc1)COC2CCCO2 34a_100000085407_100015291786 [0,0,0,0,0,2|2,0,0]=4 5134 B14R2.101 c1ccc(cc1)CSC2CCCC2 62a_100000211182_100000179811 [0,0,0,0,0,2|2,0,0]=4 5135 B14R2.101 c1ccc(cc1)CSC2CCCC2 62a_100011217020_100015291786 [0,0,0,0,0,2|2,0,0]=4 5136 B14R2.101 c1ccc(cc1)NCC2CCCC2 34a_100000106764_100000740388 [0,0,0,0,0,2|2,0,0]=4 5137 B14R2.101 c1ccc(cc1)OCC2CCCC2 34a_100000210340_100000740388 [0,0,0,0,0,2|2,0,0]=4 5138 B14R2.101 c1ccc(cc1)OCC2CCCC2 7a_100000210340_100000740388 [0,0,0,0,0,2|2,0,0]=4 5139 B14R2.101 c1ccc(cc1)OCC2CCCO2 7a_100000210340_100000203698 [0,0,0,0,0,2|2,0,0]=4 5140 B14R2.101 c1ccc(cc1)SCC2CCCC2 62a_100000719477_100000740388 [0,0,0,0,0,2|2,0,0]=4 5141 B14R2.101 c1ccc(cc1)SCC2CCCC2 62a_100000740388_100000041952 [0,0,0,0,0,2|2,0,0]=4 5142 B14R2.101 c1ccc(cc1)SCC2CCCO2 62a_100000203698_100000041952 [0,0,0,0,0,2|2,0,0]=4 5143 B14R2.101 c1ccc(cc1)SCC2CCCO2 62a_100000719477_100000203698 [0,0,0,0,0,2|2,0,0]=4 5144 B14R2.101 c1cnc(cn1)CNC2CCCC2 2230a_100000211070_100016995436 [0,0,0,0,0,2|2,0,0]=4 5145 B14R2.101 c1cnc(cn1)CNC2CCCC2 270004a_100000211070_100000749867 [0,0,0,0,0,2|2,0,0]=4 5146 B14R2.101 c1cnc(cn1)CNC2CCCC2 34a_100000211070_100016995436 [0,0,0,0,0,2|2,0,0]=4 5147 B14R2.101 c1cnc(cn1)COC2CCCC2 34a_100000210269_100016995436 [0,0,0,0,0,2|2,0,0]=4 5148 B14R2.101 c1cnc(cn1)COC2CCCC2 7a_100000210269_100016995436 [0,0,0,0,0,2|2,0,0]=4 5149 B14R2.101 c1cnc(cn1)COC2CCCO2 34a_100000085407_100016995436 [0,0,0,0,0,2|2,0,0]=4 5150 B14R2.101 c1cnc(cn1)CSC2CCCC2 62a_100011217020_100016995436 [0,0,0,0,0,2|2,0,0]=4 5151 B14R2.101 c1cnc(cn1)CSC2CCCC2 62a_100016995436_100000179811 [0,0,0,0,0,2|2,0,0]=4 5152 B14R2.101 c1cnc(cn1)NCC2CCCC2 27a_100000737975_100000211759 [0,0,0,0,0,2|2,0,0]=4 5153 B14R2.101 c1cnc(cn1)NC[C@@H]2CCCO2 27a_100020590478_100000211759 [0,0,0,0,0,2|2,0,0]=4 5154 B14R2.101 c1cnc(cn1)SCC2CCCC2 62a_100000211759_100000740388 [0,0,0,0,0,2|2,0,0]=4 5155 B14R2.101 c1cnc(cn1)SCC2CCCC2 62a_100000740388_100000211759 [0,0,0,0,0,2|2,0,0]=4 5156 B14R2.101 c1cnc(cn1)SCC2CCCO2 62a_100000203698_100000211759 [0,0,0,0,0,2|2,0,0]=4 5157 B14R2.101 c1cnc(cn1)SCC2CCCO2 62a_100000211759_100000203698 [0,0,0,0,0,2|2,0,0]=4 5158 B14R2.101 c1cncc(c1)CCN2CCCC2 2230a_100000188435_200011713674 [0,0,0,0,0,2|2,0,0]=4 5159 B14R2.101 c1cncc(c1)CCN2CCCC2 269982a_100000188435_200011713674 [0,0,0,0,0,2|2,0,0]=4 5160 B14R2.101 c1cncc(c1)CNC2CCCC2 207a_100000211070_100000209961 [0,0,0,0,0,2|1,0,0]=3 5161 B14R2.101 c1cncc(c1)CNC2CCCC2 2230a_100000211070_100000741622 [0,0,0,0,0,2|1,0,0]=3 5162 B14R2.101 c1cncc(c1)CNC2CCCC2 270004a_100000210453_100000210133 [0,0,0,0,0,2|1,0,0]=3 5163 B14R2.101 c1cncc(c1)CNC2CCCC2 270004a_100000211070_100000209961 [0,0,0,0,0,2|1,0,0]=3 5164 B14R2.101 c1cncc(c1)CNC2CCCC2 34a_100000211070_100000733263 [0,0,0,0,0,2|1,0,0]=3 5165 B14R2.101 c1cncc(c1)CNC2CCOC2 270004a_100000210453_100000752484 [0,0,0,0,0,2|2,0,0]=4 5166 B14R2.101 c1cncc(c1)CNC2CCSC2 270004a_100000210453_100000212027 [0,0,0,0,0,2|2,0,0]=4 5167 B14R2.101 c1cncc(c1)CN[C@@H]2CCOC2 207a_200015188469_100000209961 [0,0,0,0,0,2|2,0,0]=4 5168 B14R2.101 c1cncc(c1)CN[C@@H]2CCOC2 2230a_200015188469_100000741622 [0,0,0,0,0,2|2,0,0]=4 5169 B14R2.101 c1cncc(c1)CN[C@@H]2CCOC2 270004a_200015188469_100000209961 [0,0,0,0,0,2|2,0,0]=4 5170 B14R2.101 c1cncc(c1)CN[C@H]2CCOC2 207a_100015188467_100000209961 [0,0,0,0,0,2|2,0,0]=4 5171 B14R2.101 c1cncc(c1)CN[C@H]2CCOC2 2230a_100015188467_100000741622 [0,0,0,0,0,2|2,0,0]=4 5172 B14R2.101 c1cncc(c1)CN[C@H]2CCOC2 270004a_100015188467_100000209961 [0,0,0,0,0,2|2,0,0]=4 5173 B14R2.101 c1cncc(c1)CN[C@H]2CCOC2 34a_100015188467_100000733263 [0,0,0,0,0,2|2,0,0]=4 5174 B14R2.101 c1cncc(c1)COC2CCCC2 34a_100000210269_100000733263 [0,0,0,0,0,2|1,0,0]=3 5175 B14R2.101 c1cncc(c1)COC2CCCC2 7a_100000210269_100000741622 [0,0,0,0,0,2|1,0,0]=3 5176 B14R2.101 c1cncc(c1)COC2CCCO2 34a_100000085407_100000733263 [0,0,0,0,0,2|1,0,0]=3 5177 B14R2.101 c1cncc(c1)COC2CCSC2 7a_100011232664_100000741622 [0,0,0,0,0,2|2,0,0]=4 5178 B14R2.101 c1cncc(c1)CO[C@H]2CCOC2 34a_100000717292_100000733263 [0,0,0,0,0,2|2,0,0]=4 5179 B14R2.101 c1cncc(c1)CSC2CCCC2 62a_100000741622_100000179811 [0,0,0,0,0,2|1,0,0]=3 5180 B14R2.101 c1cncc(c1)CSC2CCCC2 62a_100011217020_100000741622 [0,0,0,0,0,2|1,0,0]=3 5181 B14R2.101 c1cncc(c1)CSC2CCOC2 62a_100000741622_100000690089 [0,0,0,0,0,2|2,0,0]=4 5182 B14R2.101 c1cncc(c1)NN=C2CCCC2 4a_100000728903_100000210133 [0,0,0,0,0,2|1,0,1]=4 5183 B14R2.101 c1cncc(c1)OCC2=NCCN2 34a_100000210849_100000737910 [0,0,0,0,0,2|1,0,1]=4 5184 B14R2.101 c1cncc(c1)OCC2=NCCN2 7a_100000210849_100000737910 [0,0,0,0,0,2|1,0,1]=4 5185 B14R2.101 c1cncc(c1)OCC2CCCC2 34a_100000210849_100000740388 [0,0,0,0,0,2|1,0,0]=3 5186 B14R2.101 c1cncc(c1)OCC2CCCC2 7a_100000210849_100000740388 [0,0,0,0,0,2|1,0,0]=3 5187 B14R2.101 c1cncc(c1)OCC2CCCO2 7a_100000210849_100000203698 [0,0,0,0,0,2|1,0,0]=3 5188 B14R2.101 c1cncc(c1)OCC2CCOC2 34a_100000210849_100011261433 [0,0,0,0,0,2|2,0,0]=4 5189 B14R2.101 c1cncc(c1)OCC2CCOC2 7a_100000210849_100000702531 [0,0,0,0,0,2|2,0,0]=4 5190 B14R2.101 c1cncc(c1)OCC2OCCO2 34a_100000210849_100000755774 [0,0,0,0,0,2|2,0,0]=4 5191 B14R2.101 c1cncc(c1)OCC2OCCO2 7a_100000210849_100000755774 [0,0,0,0,0,2|2,0,0]=4 5192 B14R2.101 c1cncc(c1)SCC2=NCCN2 62a_100000210063_100000737910 [0,0,0,0,0,2|1,0,1]=4 5193 B14R2.101 c1cncc(c1)SCC2=NCCN2 62a_100000737910_100000210063 [0,0,0,0,0,2|1,0,1]=4 5194 B14R2.101 c1cncc(c1)SCC2CCCC2 62a_100000210063_100000740388 [0,0,0,0,0,2|1,0,0]=3 5195 B14R2.101 c1cncc(c1)SCC2CCCC2 62a_100000740388_100000210063 [0,0,0,0,0,2|1,0,0]=3 5196 B14R2.101 c1cncc(c1)SCC2CCCO2 62a_100000203698_100000210063 [0,0,0,0,0,2|1,0,0]=3 5197 B14R2.101 c1cncc(c1)SCC2CCCO2 62a_100000210063_100000203698 [0,0,0,0,0,2|1,0,0]=3 5198 B14R2.101 c1cncc(c1)SCC2CCOC2 62a_100000210063_100000702531 [0,0,0,0,0,2|2,0,0]=4 5199 B14R2.101 c1cncc(c1)SCC2CCOC2 62a_100000702531_100000210063 [0,0,0,0,0,2|2,0,0]=4 5200 B14R2.101 c1cncc(c1)SCC2OCCO2 62a_100000210063_100000755774 [0,0,0,0,0,2|2,0,0]=4 5201 B14R2.101 c1cncc(c1)SCC2OCCO2 62a_100000755774_100000210063 [0,0,0,0,0,2|2,0,0]=4 5202 B14R2.101 c1cnnc(c1)CNC2CCCC2 2230a_100000211070_100016990269 [0,0,0,0,0,2|2,0,0]=4 5203 B14R2.101 c1cnnc(c1)CNC2CCCC2 2230a_100159270163_100000179811 [0,0,0,0,0,2|2,0,0]=4 5204 B14R2.101 c1cnnc(c1)CNC2CCCC2 34a_100000211070_100016990269 [0,0,0,0,0,2|2,0,0]=4 5205 B14R2.101 c1cnnc(c1)COC2CCCC2 34a_100000210269_100016990269 [0,0,0,0,0,2|2,0,0]=4 5206 B14R2.101 c1cnnc(c1)COC2CCCC2 7a_100000210269_100016990269 [0,0,0,0,0,2|2,0,0]=4 5207 B14R2.101 c1cnnc(c1)COC2CCCO2 34a_100000085407_100016990269 [0,0,0,0,0,2|2,0,0]=4 5208 B14R2.101 c1cnnc(c1)CSC2CCCC2 62a_100011217020_100016990269 [0,0,0,0,0,2|2,0,0]=4 5209 B14R2.101 c1cnnc(c1)CSC2CCCC2 62a_100016990269_100000179811 [0,0,0,0,0,2|2,0,0]=4 5210 B14R2.101 c1cnnc(c1)NCC2CCCC2 27a_100000737975_100016991348 [0,0,0,0,0,2|2,0,0]=4 5211 B14R2.101 c1cnnc(c1)NC[C@@H]2CCCO2 27a_100020590478_100016991348 [0,0,0,0,0,2|2,0,0]=4 5212 B14R2.101 c1cnnc(c1)SCC2CCCC2 62a_100000740388_100016991348 [0,0,0,0,0,2|2,0,0]=4 5213 B14R2.101 c1cnnc(c1)SCC2CCCC2 62a_100016991348_100000740388 [0,0,0,0,0,2|2,0,0]=4 5214 B14R2.101 c1cnnc(c1)SCC2CCCO2 62a_100000203698_100016991348 [0,0,0,0,0,2|2,0,0]=4 5215 B14R2.101 c1cnnc(c1)SCC2CCCO2 62a_100016991348_100000203698 [0,0,0,0,0,2|2,0,0]=4 5216 B14R2.101 c1ncc(cn1)CNC2CCCC2 2230a_100000211070_100015196519 [0,0,0,0,0,2|2,0,0]=4 5217 B14R2.101 c1ncc(cn1)CNC2CCCC2 2230a_100011243677_100000179811 [0,0,0,0,0,2|2,0,0]=4 5218 B14R2.101 c1ncc(cn1)CNC2CCCC2 270004a_100000211070_100000749868 [0,0,0,0,0,2|2,0,0]=4 5219 B14R2.101 c1ncc(cn1)CNC2CCCC2 270004a_100011243677_100000210133 [0,0,0,0,0,2|2,0,0]=4 5220 B14R2.101 c1ncc(cn1)CNC2CCCC2 34a_100000211070_100015196519 [0,0,0,0,0,2|2,0,0]=4 5221 B14R2.101 c1ncc(cn1)COC2CCCC2 34a_100000210269_100015196519 [0,0,0,0,0,2|2,0,0]=4 5222 B14R2.101 c1ncc(cn1)COC2CCCC2 7a_100000210269_100015196519 [0,0,0,0,0,2|2,0,0]=4 5223 B14R2.101 c1ncc(cn1)COC2CCCO2 34a_100000085407_100015196519 [0,0,0,0,0,2|2,0,0]=4 5224 B14R2.101 c1ncc(cn1)CSC2CCCC2 62a_100011217020_100015196519 [0,0,0,0,0,2|2,0,0]=4 5225 B14R2.101 c1ncc(cn1)CSC2CCCC2 62a_100015196519_100000179811 [0,0,0,0,0,2|2,0,0]=4 5226 B14R2.101 c1ncc(cn1)OCC2CCCC2 7a_100000754086_100000740388 [0,0,0,0,0,2|2,0,0]=4 5227 B14R2.101 c1ncc(cn1)OCC2CCCO2 7a_100000754086_100000203698 [0,0,0,0,0,2|2,0,0]=4 5228 B14R2.101 c1ncc(cn1)SCC2CCCC2 62a_100000740388_100011206942 [0,0,0,0,0,2|2,0,0]=4 5229 B14R2.101 c1ncc(cn1)SCC2CCCC2 62a_100011206942_100000740388 [0,0,0,0,0,2|2,0,0]=4 5230 B14R2.101 c1ncc(cn1)SCC2CCCO2 62a_100000203698_100011206942 [0,0,0,0,0,2|2,0,0]=4 5231 B14R2.101 c1ncc(cn1)SCC2CCCO2 62a_100011206942_100000203698 [0,0,0,0,0,2|2,0,0]=4