0 B15R2.2226 BrC(c1ccccc1)c2ccccc2 1P008P30 [0,0,0,0,0,0|1,0,1]=2 1 B15R2.2226 C=C(c1ccccc1)c2ccccc2 1P003BG5 [0,0,0,0,0,0|1,0,0]=1 2 B15R2.2226 CN(c1ccccc1)c2ccccc2 1P003TO6 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.2226 CN(c1cccnc1)c2ccccc2 1P0024VC [0,0,0,0,0,0|3,0,0]=3 4 B15R2.2226 CP(c1ccccc1)c2ccccc2 1P001LIW [0,0,0,0,0,0|2,0,0]=2 5 B15R2.2226 CP(c1ccccc1)c2ccccc2 1P003BVF [0,0,0,0,0,0|2,0,0]=2 6 B15R2.2226 C[PH+](c1ccccc1)c2ccccc2 1P003PU8 [0,0,0,0,0,0|2,0,0]=2 7 B15R2.2226 C[S+](c1ccccc1)c2ccccc2 1P00358S [0,0,0,0,0,0|2,0,0]=2 8 B15R2.2226 C[SiH](c1ccccc1)c2ccccc2 1P003Q6J [0,0,0,0,0,0|1,1,0]=2 9 B15R2.2226 ClC(c1ccccc1)c2ccccc2 1P00IGET [0,0,0,0,0,0|1,0,1]=2 10 B15R2.2226 ClP(c1ccccc1)c2ccccc2 1P003526 [0,0,0,0,0,0|2,0,0]=2 11 B15R2.2226 N=C(c1ccccc1)c2ccccc2 1P0004NC [0,0,0,0,0,0|1,0,0]=1 12 B15R2.2226 N=C(c1ccccc1)c2ccccc2 1P00DG82 [0,0,0,0,0,0|1,0,0]=1 13 B15R2.2226 NC(c1ccccc1)c2ccccc2 1P0034YE [0,0,0,0,0,0|1,0,1]=2 14 B15R2.2226 NC(c1ccccc1)c2ccccc2 1P003OAN [0,0,0,0,0,0|1,0,1]=2 15 B15R2.2226 NC(c1ccccn1)c2ccccc2 1P003AI4 [0,0,0,0,0,0|2,0,1]=3 16 B15R2.2226 NC(c1ccccn1)c2ccccn2 1P00IASQ [0,0,0,0,0,0|3,0,1]=4 17 B15R2.2226 NC(c1ccccn1)c2cccnc2 1P00ELDG [0,0,0,0,0,0|3,0,1]=4 18 B15R2.2226 NC(c1cccnc1)c2ccccc2 1P00IASR [0,0,0,0,0,0|2,0,1]=3 19 B15R2.2226 NC(c1ccncc1)c2ccccc2 1P00EBBW [0,0,0,0,0,0|2,0,1]=3 20 B15R2.2226 NC(c1ccncc1)c2ccccc2 1P01DNCC [0,0,0,0,0,0|2,0,1]=3 21 B15R2.2226 NN(c1ccccc1)c2ccccc2 1P00330I [0,0,0,0,0,0|2,0,0]=2 22 B15R2.2226 O=C(c1ccccc1)C2=CCCCC2 1P007UU9 [0,0,0,0,0,0|0,0,4]=4 23 B15R2.2226 O=C(c1ccccc1)C2=CNCCC2 1P00D7NK [0,0,0,0,0,0|1,0,3]=4 24 B15R2.2226 O=C(c1ccccc1)c2ccccc2 1P000PGQ [0,0,0,0,0,0|0,0,0]=0 25 B15R2.2226 O=C(c1ccccn1)c2ccccn2 1P003PRG [0,0,0,0,0,0|2,0,0]=2 26 B15R2.2226 O=C(c1ccccn1)c2cccnc2 1P00EEPB [0,0,0,0,0,0|2,0,0]=2 27 B15R2.2226 O=C(c1ccccn1)c2ccncc2 1P00EEVA [0,0,0,0,0,0|2,0,0]=2 28 B15R2.2226 O=C(c1cccnc1)c2ccccc2 1P003JF5 [0,0,0,0,0,0|1,0,0]=1 29 B15R2.2226 O=C(c1cccnc1)c2cccnc2 1P00CNGZ [0,0,0,0,0,0|2,0,0]=2 30 B15R2.2226 O=C(c1ccncc1)c2ccccc2 1P001DJK [0,0,0,0,0,0|1,0,0]=1 31 B15R2.2226 O=C(c1ccncc1)c2cccnc2 1P01EI7U [0,0,0,0,0,0|2,0,0]=2 32 B15R2.2226 O=C(c1ccncc1)c2ccncc2 1P005XND [0,0,0,0,0,0|2,0,0]=2 33 B15R2.2226 O=C(c1ccncn1)c2ccccc2 1P006GV2 [0,0,0,0,0,0|2,0,0]=2 34 B15R2.2226 O=C(c1ccncn1)c2cccnc2 1P01BH7N [0,0,0,0,0,0|3,0,0]=3 35 B15R2.2226 O=C(c1cnccn1)c2cccnc2 1P01BCFG [0,0,0,0,0,0|3,0,0]=3 36 B15R2.2226 O=C(c1cncnc1)c2ccccc2 1P01A7J1 [0,0,0,0,0,0|2,0,0]=2 37 B15R2.2226 O=C(c1ncccn1)c2ccccc2 1P0083RD [0,0,0,0,0,0|2,0,0]=2 38 B15R2.2226 O=P(c1ccccc1)c2ccccc2 1P003Q6M [0,0,0,0,0,0|1,0,0]=1 39 B15R2.2226 O=S(c1ccccc1)c2ccccc2 1P003UXF [0,0,0,0,0,0|1,0,0]=1 40 B15R2.2226 O=[I+](c1ccccc1)c2ccccc2 1P01FDQU [0,0,0,0,0,0|1,0,0]=1 41 B15R2.2226 O=[Sn](c1ccccc1)c2ccccc2 1P003Q6V [0,0,0,0,0,0|1,0,0]=1 42 B15R2.2226 OC(c1ccccc1)c2ccccc2 1P003Q6H [0,0,0,0,0,0|0,0,2]=2 43 B15R2.2226 OC(c1ccccn1)c2ccccc2 1P001H4K [0,0,0,0,0,0|1,0,2]=3 44 B15R2.2226 OC(c1ccccn1)c2ccccn2 1P00COPY [0,0,0,0,0,0|2,0,2]=4 45 B15R2.2226 OC(c1cccnc1)c2ccccc2 1P00EG03 [0,0,0,0,0,0|1,0,2]=3 46 B15R2.2226 OC(c1cccnc1)c2cccnc2 1P00IG99 [0,0,0,0,0,0|2,0,2]=4 47 B15R2.2226 OC(c1ccncc1)c2ccccc2 1P007IGR [0,0,0,0,0,0|1,0,2]=3 48 B15R2.2226 S=[Sn](c1ccccc1)c2ccccc2 1P0029B0 [0,0,0,0,0,0|1,1,0]=2 49 B15R2.2226 SC(c1ccccc1)c2ccccc2 1P00C7ES [0,0,0,0,0,0|0,1,1]=2 50 B14R2.6 c1ccc(cc1)C[n+]2ccccc2 1P01EUTX [1,0,0,0,0,0|1,0,1]=3 51 B14R2.6 c1ccc(cc1)C[n+]2ccccc2 1P01EV3H [1,0,0,0,0,0|1,0,1]=3 52 B14R2.6 c1ccc(cc1)Cc2ccccc2 1P0003WJ [1,0,0,0,0,0|0,0,1]=2 53 B14R2.6 c1ccc(cc1)Cc2ccccn2 1P0003WI [1,0,0,0,0,0|1,0,1]=3 54 B14R2.6 c1ccc(cc1)Cc2cccnc2 1P00IBF5 [1,0,0,0,0,0|1,0,1]=3 55 B14R2.6 c1ccc(cc1)Cc2ccncc2 1P003LAP [1,0,0,0,0,0|1,0,1]=3 56 B14R2.6 c1ccc(cc1)Cc2cnccn2 1P00CF4G [1,0,0,0,0,0|2,0,1]=4 57 B14R2.6 c1ccc(cc1)Nc2ccccc2 1P001VC5 [1,0,0,0,0,0|1,0,0]=2 58 B14R2.6 c1ccc(cc1)Nc2ccccc2 1P003Q63 [1,0,0,0,0,0|1,0,0]=2 59 B14R2.6 c1ccc(cc1)Nc2ccccc2 1P003Q64 [1,0,0,0,0,0|1,0,0]=2 60 B14R2.6 c1ccc(cc1)Nc2ccccn2 1P003H11 [1,0,0,0,0,0|2,0,0]=3 61 B14R2.6 c1ccc(cc1)Nc2ccncc2 1P002M5I [1,0,0,0,0,0|2,0,0]=3 62 B14R2.6 c1ccc(cc1)Nc2ccncn2 1P01BNU7 [1,0,0,0,0,0|3,0,0]=4 63 B14R2.6 c1ccc(cc1)Nc2cnccn2 1P01DVP7 [1,0,0,0,0,0|3,0,0]=4 64 B14R2.6 c1ccc(cc1)Nc2ncccn2 1P00EJVC [1,0,0,0,0,0|3,0,0]=4 65 B14R2.6 c1ccc(cc1)Oc2ccccc2 1P0003WG [1,0,0,0,0,0|1,0,0]=2 66 B14R2.6 c1ccc(cc1)Oc2ccccc2 1P003U5N [1,0,0,0,0,0|1,0,0]=2 67 B14R2.6 c1ccc(cc1)Oc2ccccn2 1P00DC41 [1,0,0,0,0,0|2,0,0]=3 68 B14R2.6 c1ccc(cc1)Oc2cccnc2 1P007PNM [1,0,0,0,0,0|2,0,0]=3 69 B14R2.6 c1ccc(cc1)Oc2ccncc2 1P0034LI [1,0,0,0,0,0|2,0,0]=3 70 B14R2.6 c1ccc(cc1)Oc2cncnc2 1P01BW4D [1,0,0,0,0,0|3,0,0]=4 71 B14R2.6 c1ccc(cc1)Pc2ccccc2 1P003OZO [1,0,0,0,0,0|1,0,0]=2 72 B14R2.6 c1ccc(cc1)Sc2ccccc2 1P003Q5S [1,0,0,0,0,0|1,0,0]=2 73 B14R2.6 c1ccc(cc1)Sc2cccnc2 1P01BAXH [1,0,0,0,0,0|2,0,0]=3 74 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 1P001G2D [1,0,0,0,0,0|1,0,0]=2 75 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 1P001G2E [1,0,0,0,0,0|1,0,0]=2 76 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 1P00358T [1,0,0,0,0,0|1,0,0]=2 77 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 1P003Q6B [1,0,0,0,0,0|1,0,0]=2 78 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 1P003Q6C [1,0,0,0,0,0|1,0,0]=2 79 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 1P003Q6E [1,0,0,0,0,0|1,0,0]=2 80 B14R2.6 c1ccc(cc1)[I+]c2ccccc2 1P00ECZA [1,0,0,0,0,0|1,0,0]=2 81 B14R2.6 c1ccc(cc1)[Pt]c2ccccc2 1P000JX3 [1,0,0,0,0,0|1,0,0]=2 82 B14R2.6 c1ccc(cc1)[Se]c2ccccc2 1P003Q5R [1,0,0,0,0,0|1,0,0]=2 83 B14R2.6 c1ccc(cc1)[SiH2]c2ccccc2 1P003Q6R [1,0,0,0,0,0|0,1,0]=2 84 B14R2.6 c1ccc(nc1)Cc2ccccn2 1P007ATD [1,0,0,0,0,0|2,0,1]=4 85 B14R2.6 c1ccc(nc1)Nc2ccccn2 1P000R0R [1,0,0,0,0,0|3,0,0]=4 86 B14R2.6 c1ccc(nc1)Nc2cccnc2 1P01DWTG [1,0,0,0,0,0|3,0,0]=4 87 B14R2.6 n1ccc(cc1)Nc2ccncc2 1P002FRA [1,0,0,0,0,0|3,0,0]=4 88 B14R2.6 n1ccc(cc1)Sc2ccncc2 1P003KX5 [1,0,0,0,0,0|3,0,0]=4 89 B16R2.120 Brc1ccc(cc1)C(=C)c2ccccc2 1P0074LU [0,1,0,0,0,0|1,0,0]=2 90 B16R2.120 Brc1ccc(cc1)C(=O)c2ccccc2 1P006U17 [0,1,0,0,0,0|0,0,0]=1 91 B16R2.120 Brc1ccc(cc1)C(=O)c2ccccn2 1P00ADZ5 [0,1,0,0,0,0|1,0,0]=2 92 B16R2.120 Brc1ccc(cc1)C(=O)c2cccnc2 1P001DJL [0,1,0,0,0,0|1,0,0]=2 93 B16R2.120 Brc1ccc(cc1)C(=O)c2ccncc2 1P001DJI [0,1,0,0,0,0|1,0,0]=2 94 B16R2.120 Brc1ccc(cc1)C(=O)c2cncnc2 1P01ADLE [0,1,0,0,0,0|2,0,0]=3 95 B16R2.120 Brc1ccc(cc1)C(c2ccccc2)N 1P003O7P [0,1,0,0,0,0|1,0,1]=3 96 B16R2.120 Brc1ccc(cc1)C(c2ccccc2)N 1P00DM01 [0,1,0,0,0,0|1,0,1]=3 97 B16R2.120 Brc1ccc(cc1)C(c2ccccc2)O 1P002YJT [0,1,0,0,0,0|0,0,2]=3 98 B16R2.120 Brc1ccc(cc1)N(c2ccccc2)C 1P01B239 [0,1,0,0,0,0|2,0,0]=3 99 B16R2.120 Brc1ccc(cc1)[C@@H](c2ccccc2)N 1P00BJTV [0,1,0,0,0,0|1,0,1]=3 100 B16R2.120 Brc1ccc(cc1)[C@@H](c2ccccc2)N 1P024FYV [0,1,0,0,0,0|1,0,1]=3 101 B16R2.120 Brc1ccc(cc1)[C@H](c2ccccc2)N 1P00BJTW [0,1,0,0,0,0|1,0,1]=3 102 B16R2.120 Brc1ccc(cc1)[C@H](c2ccccc2)N 1P01KKGH [0,1,0,0,0,0|1,0,1]=3 103 B16R2.120 Brc1ccc(nc1)C(=O)c2ccccc2 1P002IWJ [0,1,0,0,0,0|1,0,0]=2 104 B16R2.120 Brc1ccc(nc1)N(c2ccccc2)C 1P01B2V9 [0,1,0,0,0,0|3,0,0]=4 105 B16R2.120 Cc1ccc(cc1)C(=O)c2ccccc2 1P003M81 [0,1,0,0,0,0|0,0,0]=1 106 B16R2.120 Cc1ccc(cc1)C(=O)c2ccccn2 1P005LQK [0,1,0,0,0,0|1,0,0]=2 107 B16R2.120 Cc1ccc(cc1)C(=O)c2cccnc2 1P00D2B4 [0,1,0,0,0,0|1,0,0]=2 108 B16R2.120 Cc1ccc(cc1)C(=O)c2ccncc2 1P001DJS [0,1,0,0,0,0|1,0,0]=2 109 B16R2.120 Cc1ccc(cc1)C(c2ccccc2)Cl 1P005EYM [0,1,0,0,0,0|1,0,1]=3 110 B16R2.120 Cc1ccc(cc1)C(c2ccccc2)N 1P00DC09 [0,1,0,0,0,0|1,0,1]=3 111 B16R2.120 Cc1ccc(cc1)C(c2ccccc2)N 1P00DM03 [0,1,0,0,0,0|1,0,1]=3 112 B16R2.120 Cc1ccc(cc1)C(c2ccccc2)O 1P003M7Z [0,1,0,0,0,0|0,0,2]=3 113 B16R2.120 Cc1ccc(cc1)C(c2ccccn2)N 1P01BGXV [0,1,0,0,0,0|2,0,1]=4 114 B16R2.120 Cc1ccc(cc1)C(c2ccccn2)N 1P01BH6Q [0,1,0,0,0,0|2,0,1]=4 115 B16R2.120 Cc1ccc(cc1)C(c2ccncc2)N 1P00J1HF [0,1,0,0,0,0|2,0,1]=4 116 B16R2.120 Cc1ccc(cc1)[S@](=O)c2ccccc2 1P001VMA [0,1,0,0,0,0|1,0,0]=2 117 B16R2.120 Clc1ccc(cc1)C(=C)c2ccccc2 1P0023WP [0,1,0,0,0,0|1,0,0]=2 118 B16R2.120 Clc1ccc(cc1)C(=N)c2ccccc2 1P028HU7 [0,1,0,0,0,0|1,0,0]=2 119 B16R2.120 Clc1ccc(cc1)C(=O)c2ccccc2 1P003LND [0,1,0,0,0,0|0,0,0]=1 120 B16R2.120 Clc1ccc(cc1)C(=O)c2ccccn2 1P003CBX [0,1,0,0,0,0|1,0,0]=2 121 B16R2.120 Clc1ccc(cc1)C(=O)c2cccnc2 1P001DJM [0,1,0,0,0,0|1,0,0]=2 122 B16R2.120 Clc1ccc(cc1)C(=O)c2ccncc2 1P001DJJ [0,1,0,0,0,0|1,0,0]=2 123 B16R2.120 Clc1ccc(cc1)C(=O)c2cnccn2 1P0076OD [0,1,0,0,0,0|2,0,0]=3 124 B16R2.120 Clc1ccc(cc1)C(=O)c2cncnc2 1P007XNZ [0,1,0,0,0,0|2,0,0]=3 125 B16R2.120 Clc1ccc(cc1)C(c2ccccc2)Cl 1P0034GK [0,1,0,0,0,0|1,0,1]=3 126 B16R2.120 Clc1ccc(cc1)C(c2ccccc2)N 1P003LN8 [0,1,0,0,0,0|1,0,1]=3 127 B16R2.120 Clc1ccc(cc1)C(c2ccccc2)N 1P00BEJ7 [0,1,0,0,0,0|1,0,1]=3 128 B16R2.120 Clc1ccc(cc1)C(c2ccccc2)O 1P000PGU [0,1,0,0,0,0|0,0,2]=3 129 B16R2.120 Clc1ccc(cc1)C(c2ccccc2)S 1P019PO3 [0,1,0,0,0,0|0,1,1]=3 130 B16R2.120 Clc1ccc(cc1)C(c2ccccn2)Cl 1P007KD6 [0,1,0,0,0,0|2,0,1]=4 131 B16R2.120 Clc1ccc(cc1)C(c2ccccn2)O 1P002UT9 [0,1,0,0,0,0|1,0,2]=4 132 B16R2.120 Clc1ccc(cc1)C(c2cccnc2)O 1P005O4N [0,1,0,0,0,0|1,0,2]=4 133 B16R2.120 Clc1ccc(cc1)C(c2ccncc2)N 1P00J1HV [0,1,0,0,0,0|2,0,1]=4 134 B16R2.120 Clc1ccc(cc1)[C@@H](c2ccccc2)N 1P001UVT [0,1,0,0,0,0|1,0,1]=3 135 B16R2.120 Clc1ccc(cc1)[C@@H](c2ccccc2)N 1P00I8YI [0,1,0,0,0,0|1,0,1]=3 136 B16R2.120 Clc1ccc(cc1)[C@@H](c2ccccn2)O 1P0021U5 [0,1,0,0,0,0|1,0,2]=4 137 B16R2.120 Clc1ccc(cc1)[C@H](c2ccccc2)N 1P001UVW [0,1,0,0,0,0|1,0,1]=3 138 B16R2.120 Clc1ccc(cc1)[C@H](c2ccccc2)N 1P00DM05 [0,1,0,0,0,0|1,0,1]=3 139 B16R2.120 Fc1ccc(cc1)C(=O)c2ccccc2 1P003LVR [0,1,0,0,0,0|0,0,0]=1 140 B16R2.120 Fc1ccc(cc1)C(=O)c2ccccn2 1P0079H1 [0,1,0,0,0,0|1,0,0]=2 141 B16R2.120 Fc1ccc(cc1)C(=O)c2cccnc2 1P00DD3E [0,1,0,0,0,0|1,0,0]=2 142 B16R2.120 Fc1ccc(cc1)C(=O)c2ccncc2 1P003KK5 [0,1,0,0,0,0|1,0,0]=2 143 B16R2.120 Fc1ccc(cc1)C(=O)c2cnccn2 1P01AI9B [0,1,0,0,0,0|2,0,0]=3 144 B16R2.120 Fc1ccc(cc1)C(c2ccccc2)Br 1P019SJC [0,1,0,0,0,0|1,0,1]=3 145 B16R2.120 Fc1ccc(cc1)C(c2ccccc2)Cl 1P007A4Q [0,1,0,0,0,0|1,0,1]=3 146 B16R2.120 Fc1ccc(cc1)C(c2ccccc2)N 1P00DWGC [0,1,0,0,0,0|1,0,1]=3 147 B16R2.120 Fc1ccc(cc1)C(c2ccccc2)N 1P019UQY [0,1,0,0,0,0|1,0,1]=3 148 B16R2.120 Fc1ccc(cc1)C(c2ccccc2)O 1P00BYKK [0,1,0,0,0,0|0,0,2]=3 149 B16R2.120 Fc1ccc(cc1)C(c2ccccc2)S 1P01B9RD [0,1,0,0,0,0|0,1,1]=3 150 B16R2.120 Fc1ccc(cc1)C(c2ccccn2)N 1P01A9ZV [0,1,0,0,0,0|2,0,1]=4 151 B16R2.120 Fc1ccc(cc1)C(c2cccnc2)N 1P01ABKD [0,1,0,0,0,0|2,0,1]=4 152 B16R2.120 Fc1ccc(cc1)C(c2ccncc2)N 1P00GWEU [0,1,0,0,0,0|2,0,1]=4 153 B16R2.120 Fc1ccc(cc1)C(c2ccncc2)N 1P00J1H6 [0,1,0,0,0,0|2,0,1]=4 154 B16R2.120 Fc1ccc(cc1)C(c2ccncc2)O 1P00EBPE [0,1,0,0,0,0|1,0,2]=4 155 B16R2.120 Fc1ccc(nc1)C(=O)c2ccccc2 1P01A4NN [0,1,0,0,0,0|1,0,0]=2 156 B16R2.120 Ic1ccc(cc1)C(=O)c2ccccc2 1P00EDKA [0,1,0,0,0,0|0,0,0]=1 157 B16R2.120 Ic1ccc(cc1)C(c2ccccc2)O 1P028DYC [0,1,0,0,0,0|0,0,2]=3 158 B16R2.120 Nc1ccc(cc1)C(=O)c2ccccc2 1P0009TW [0,1,0,0,0,0|0,0,0]=1 159 B16R2.120 Nc1ccc(cc1)C(=O)c2ccncc2 1P007UQU [0,1,0,0,0,0|1,0,0]=2 160 B16R2.120 Nc1ccc(cc1)C(c2ccccc2)C 1P028FA1 [0,1,0,0,0,0|1,0,1]=3 161 B16R2.120 Nc1ccc(cc1)C(c2ccccc2)O 1P007MH4 [0,1,0,0,0,0|0,0,2]=3 162 B16R2.120 Nc1ccc(nc1)N(c2ccccc2)C 1P028A7G [0,1,0,0,0,0|3,0,0]=4 163 B16R2.120 O=C(c1ncccn1)c2ccc(cc2)Cl 1P019UK7 [0,1,0,0,0,0|2,0,0]=3 164 B16R2.120 O=C(c1ncccn1)c2ccc(cc2)F 1P019XY9 [0,1,0,0,0,0|2,0,0]=3 165 B16R2.120 Oc1ccc(cc1)C(=O)c2ccccc2 1P0009TV [0,1,0,0,0,0|0,0,0]=1 166 B16R2.120 Oc1ccc(cc1)C(=O)c2ccccn2 1P00D1BC [0,1,0,0,0,0|1,0,0]=2 167 B16R2.120 Oc1ccc(cc1)C(=O)c2cccnc2 1P007DQ6 [0,1,0,0,0,0|1,0,0]=2 168 B16R2.120 Oc1ccc(cc1)C(=O)c2ccncc2 1P003CCP [0,1,0,0,0,0|1,0,0]=2 169 B16R2.120 Oc1ccc(cc1)C(c2ccccc2)C 1P002C7K [0,1,0,0,0,0|1,0,1]=3 170 B16R2.120 Oc1ccc(cc1)C(c2ccccc2)N 1P003O7Q [0,1,0,0,0,0|1,0,1]=3 171 B16R2.120 Oc1ccc(cc1)C(c2ccccn2)O 1P01KLFJ [0,1,0,0,0,0|1,0,2]=4 172 B16R2.187 C#CP(c1ccccc1)c2ccccc2 1P01HRZ8 [0,1,0,0,0,0|2,0,0]=3 173 B16R2.187 C=CP(c1ccccc1)c2ccccc2 1P003Q6W [0,1,0,0,0,0|2,0,0]=3 174 B16R2.187 C=C[S+](c1ccccc1)c2ccccc2 1P002PMM [0,1,0,0,0,0|2,0,0]=3 175 B16R2.187 CC=C(c1ccccc1)c2ccccc2 1P00373L [0,1,0,0,0,0|1,0,0]=2 176 B16R2.187 CCP(c1ccccc1)c2ccccc2 1P003QYR [0,1,0,0,0,0|2,0,0]=3 177 B16R2.187 CC[S+](c1ccccc1)c2ccccc2 1P003Y1D [0,1,0,0,0,0|2,0,0]=3 178 B16R2.187 CN=C(c1ccccc1)c2ccccc2 1P0011O2 [0,1,0,0,0,0|1,0,0]=2 179 B16R2.187 CNC(c1ccccc1)c2ccccc2 1P001EU9 [0,1,0,0,0,0|1,0,1]=3 180 B16R2.187 CNC(c1ccccc1)c2ccccc2 1P028PUP [0,1,0,0,0,0|1,0,1]=3 181 B16R2.187 CNC(c1ccccn1)c2ccccc2 1P019VJC [0,1,0,0,0,0|2,0,1]=4 182 B16R2.187 COP(c1ccccc1)c2ccccc2 1P003Q6I [0,1,0,0,0,0|1,0,1]=3 183 B16R2.187 ClCC(c1ccccc1)c2ccccc2 1P028T6O [0,1,0,0,0,0|1,0,1]=3 184 B16R2.187 N#CC(c1ccccc1)c2ccccc2 1P003Q60 [0,1,0,0,0,0|1,0,1]=3 185 B16R2.187 N#CC(c1ccccn1)c2ccccc2 1P00I9EA [0,1,0,0,0,0|2,0,1]=4 186 B16R2.187 NCC(c1ccccc1)c2ccccc2 1P0033DQ [0,1,0,0,0,0|1,0,1]=3 187 B16R2.187 NCC(c1ccccc1)c2ccccc2 1P019NJU [0,1,0,0,0,0|1,0,1]=3 188 B16R2.187 NN=C(c1ccccc1)c2ccccc2 1P003OJA [0,1,0,0,0,0|1,0,0]=2 189 B16R2.187 NNC(c1ccccc1)c2ccccc2 1P003AVZ [0,1,0,0,0,0|1,0,1]=3 190 B16R2.187 O=CC(c1ccccc1)c2ccccc2 1P003Q5Z [0,1,0,0,0,0|0,0,1]=2 191 B16R2.187 O=CN(c1ccccc1)c2ccccc2 1P003T2L [0,1,0,0,0,0|1,0,0]=2 192 B16R2.187 O=NN(c1ccccc1)c2ccccc2 1P003TPN [0,1,0,0,0,0|1,0,0]=2 193 B16R2.187 OCC(c1ccccc1)c2ccccc2 1P002HAK [0,1,0,0,0,0|0,0,2]=3 194 B16R2.187 ON=C(c1ccccc1)c2ccccc2 1P003OJB [0,1,0,0,0,0|0,0,1]=2 195 B16R2.187 ON=C(c1ccccn1)c2ccccn2 1P001P1W [0,1,0,0,0,0|2,0,1]=4 196 B16R2.187 ON=C(c1ccncc1)c2ccccc2 1P007QUM [0,1,0,0,0,0|1,0,1]=3 197 B16R2.187 [N-]=[N+]=C(c1ccccc1)c2ccccc2 1P004893 [0,1,0,0,0,0|1,0,0]=2 198 B16R2.236 Brc1cccc(c1)C(=O)c2ccccc2 1P0005EQ [0,1,0,0,0,0|0,0,0]=1 199 B16R2.236 Brc1cccc(c1)C(c2ccccc2)N 1P003O7N [0,1,0,0,0,0|1,0,1]=3 200 B16R2.236 Brc1cccc(c1)C(c2ccccc2)O 1P00VUNL [0,1,0,0,0,0|0,0,2]=3 201 B16R2.236 Brc1cccc(c1)C(c2ccccn2)O 1P00GBHY [0,1,0,0,0,0|1,0,2]=4 202 B16R2.236 Brc1cccc(n1)C(=O)c2ccccc2 1P008NWW [0,1,0,0,0,0|1,0,0]=2 203 B16R2.236 Brc1cccc(n1)C(c2ccccc2)O 1P01DILX [0,1,0,0,0,0|1,0,2]=4 204 B16R2.236 Brc1cncc(c1)C(=O)c2ccccc2 1P00IAZ5 [0,1,0,0,0,0|1,0,0]=2 205 B16R2.236 Cc1cccc(c1)C(=O)c2ccccc2 1P003K7E [0,1,0,0,0,0|0,0,0]=1 206 B16R2.236 Cc1cccc(c1)C(=O)c2ccccn2 1P00EF1P [0,1,0,0,0,0|1,0,0]=2 207 B16R2.236 Cc1cccc(c1)C(c2ccccc2)N 1P00DDI9 [0,1,0,0,0,0|1,0,1]=3 208 B16R2.236 Cc1cccc(c1)C(c2ccccc2)N 1P00J2KP [0,1,0,0,0,0|1,0,1]=3 209 B16R2.236 Cc1cccc(c1)C(c2ccccc2)O 1P006YX1 [0,1,0,0,0,0|0,0,2]=3 210 B16R2.236 Cc1cccc(c1)C(c2ccccn2)N 1P01A447 [0,1,0,0,0,0|2,0,1]=4 211 B16R2.236 Clc1cccc(c1)C(=C)c2ccccc2 1P002YDQ [0,1,0,0,0,0|1,0,0]=2 212 B16R2.236 Clc1cccc(c1)C(=O)c2ccccc2 1P0005EP [0,1,0,0,0,0|0,0,0]=1 213 B16R2.236 Clc1cccc(c1)C(=O)c2ccccn2 1P008QQ7 [0,1,0,0,0,0|1,0,0]=2 214 B16R2.236 Clc1cccc(c1)C(=O)c2cccnc2 1P00EESO [0,1,0,0,0,0|1,0,0]=2 215 B16R2.236 Clc1cccc(c1)C(=O)c2ccncc2 1P00EE9G [0,1,0,0,0,0|1,0,0]=2 216 B16R2.236 Clc1cccc(c1)C(c2ccccc2)N 1P00DLZY [0,1,0,0,0,0|1,0,1]=3 217 B16R2.236 Clc1cccc(c1)C(c2ccccc2)O 1P00E9T7 [0,1,0,0,0,0|0,0,2]=3 218 B16R2.236 Clc1cccc(c1)C(c2ccccn2)N 1P01A0HS [0,1,0,0,0,0|2,0,1]=4 219 B16R2.236 Clc1cccc(n1)[C@H](c2ccccc2)N 1P01ERYL [0,1,0,0,0,0|2,0,1]=4 220 B16R2.236 Clc1nccc(c1)C(=O)c2cccnc2 1P01ALWJ [0,1,0,0,0,0|2,0,0]=3 221 B16R2.236 Fc1cccc(c1)C(=O)c2ccccc2 1P00C1IR [0,1,0,0,0,0|0,0,0]=1 222 B16R2.236 Fc1cccc(c1)C(=O)c2ccccn2 1P00GWJF [0,1,0,0,0,0|1,0,0]=2 223 B16R2.236 Fc1cccc(c1)C(c2ccccc2)N 1P00DM00 [0,1,0,0,0,0|1,0,1]=3 224 B16R2.236 Fc1cccc(c1)C(c2ccccc2)O 1P00C14Z [0,1,0,0,0,0|0,0,2]=3 225 B16R2.236 Fc1cccc(c1)C(c2ccccn2)N 1P01A44B [0,1,0,0,0,0|2,0,1]=4 226 B16R2.236 Fc1cccc(c1)C(c2ccccn2)O 1P01A935 [0,1,0,0,0,0|1,0,2]=4 227 B16R2.236 Ic1cccc(c1)C(=O)c2ccccc2 1P00C3EZ [0,1,0,0,0,0|0,0,0]=1 228 B16R2.236 Ic1cccc(c1)C(c2ccccc2)Br 1P01EMAF [0,1,0,0,0,0|1,0,1]=3 229 B16R2.236 Ic1cccc(c1)C(c2ccccc2)O 1P028GE9 [0,1,0,0,0,0|0,0,2]=3 230 B16R2.236 Nc1cccc(c1)C(=O)c2ccccc2 1P003JDY [0,1,0,0,0,0|0,0,0]=1 231 B16R2.236 Nc1cccc(c1)C(=O)c2ccccn2 1P01BAXL [0,1,0,0,0,0|1,0,0]=2 232 B16R2.236 O=c1cccc([nH]1)C(c2ccccc2)N 1P01DZ71 [0,1,0,0,0,0|2,0,1]=4 233 B16R2.236 Oc1cccc(c1)C(=O)c2ccccc2 1P000ULE [0,1,0,0,0,0|0,0,0]=1 234 B16R2.2945 CC(c1ccccc1)(c2ccccc2)N 1P01AB9B [0,1,0,0,0,0|1,0,1]=3 235 B16R2.2945 CC(c1ccccc1)(c2ccccc2)O 1P00IB3B [0,1,0,0,0,0|0,0,2]=3 236 B16R2.2945 CC(c1ccccn1)(c2ccccc2)O 1P007RVQ [0,1,0,0,0,0|1,0,2]=4 237 B16R2.2945 CP(=O)(c1ccccc1)c2ccccc2 1P003SKD [0,1,0,0,0,0|1,0,0]=2 238 B16R2.2945 C[P+](c1ccccc1)(c2ccccc2)C 1P0005PR [0,1,0,0,0,0|2,0,0]=3 239 B16R2.2945 C[Si](c1ccccc1)(c2ccccc2)C 1P003Q3U [0,1,0,0,0,0|1,1,0]=3 240 B16R2.2945 C[Si](c1ccccc1)(c2ccccc2)O 1P0057WA [0,1,0,0,0,0|0,1,1]=3 241 B16R2.2945 C[Sn](c1ccccc1)(c2ccccc2)C 1P003Q3V [0,1,0,0,0,0|2,0,0]=3 242 B16R2.2945 ClC(c1ccccc1)(c2ccccc2)Cl 1P002ABF [0,1,0,0,0,0|1,0,1]=3 243 B16R2.2945 ClP(=O)(c1ccccc1)c2ccccc2 1P001MKS [0,1,0,0,0,0|1,0,0]=2 244 B16R2.2945 Cl[Sn](c1ccccc1)(c2ccccc2)Cl 1P00098N [0,1,0,0,0,0|2,0,0]=3 245 B16R2.2945 F[Si](c1ccccc1)(c2ccccc2)F 1P00BCH8 [0,1,0,0,0,0|1,1,0]=3 246 B16R2.2945 N=S(=O)(c1ccccc1)c2ccccc2 1P00IY2J [0,1,0,0,0,0|1,0,0]=2 247 B16R2.2945 N=S(=O)(c1ccncc1)c2ccccc2 1P028MQO [0,1,0,0,0,0|2,0,0]=3 248 B16R2.2945 NP(=O)(c1ccccc1)c2ccccc2 1P003Q6K [0,1,0,0,0,0|1,0,0]=2 249 B16R2.2945 O=S(=O)(c1ccccc1)c2ccccc2 1P000WZD [0,1,0,0,0,0|1,0,0]=2 250 B16R2.2945 O=S(=O)(c1ccccn1)c2ccccc2 1P007OF0 [0,1,0,0,0,0|2,0,0]=3 251 B16R2.2945 OP(=O)(c1ccccc1)c2ccccc2 1P003Q6N [0,1,0,0,0,0|1,0,0]=2 252 B16R2.2945 O[Si](c1ccccc1)(c2ccccc2)O 1P003Q6S [0,1,0,0,0,0|0,1,1]=3 253 B16R2.2945 SP(=S)(c1ccccc1)c2ccccc2 1P00053P [0,1,0,0,0,0|1,1,0]=3 254 B16R2.2945 [O-]P(=O)(c1ccccc1)c2ccccc2 1P00049C [0,1,0,0,0,0|1,0,0]=2 255 B16R2.3896 Brc1ccccc1C(=O)c2ccccc2 1P000UY2 [0,1,0,0,0,0|0,0,0]=1 256 B16R2.3896 Brc1ccccc1C(=O)c2cccnc2 1P00373W [0,1,0,0,0,0|1,0,0]=2 257 B16R2.3896 Brc1ccccc1C(c2ccccc2)N 1P003O7M [0,1,0,0,0,0|1,0,1]=3 258 B16R2.3896 Brc1ccccc1C(c2ccccc2)O 1P01AJV9 [0,1,0,0,0,0|0,0,2]=3 259 B16R2.3896 Cc1ccccc1C(=O)c2ccccc2 1P000VQT [0,1,0,0,0,0|0,0,0]=1 260 B16R2.3896 Cc1ccccc1C(c2ccccc2)Cl 1P003DJD [0,1,0,0,0,0|1,0,1]=3 261 B16R2.3896 Cc1ccccc1C(c2ccccc2)N 1P002YLW [0,1,0,0,0,0|1,0,1]=3 262 B16R2.3896 Cc1ccccc1C(c2ccccc2)N 1P00J2L7 [0,1,0,0,0,0|1,0,1]=3 263 B16R2.3896 Cc1ccccc1C(c2ccccc2)O 1P00IA8M [0,1,0,0,0,0|0,0,2]=3 264 B16R2.3896 Cc1ccccc1C(c2ccncc2)N 1P00J1HN [0,1,0,0,0,0|2,0,1]=4 265 B16R2.3896 Cc1cnccc1C(c2ccccc2)O 1P01ANOL [0,1,0,0,0,0|1,0,2]=4 266 B16R2.3896 Clc1ccccc1C(=C)c2ccccc2 1P002Q8B [0,1,0,0,0,0|1,0,0]=2 267 B16R2.3896 Clc1ccccc1C(=O)c2ccccc2 1P0032O0 [0,1,0,0,0,0|0,0,0]=1 268 B16R2.3896 Clc1ccccc1C(=O)c2ccccn2 1P00ADIA [0,1,0,0,0,0|1,0,0]=2 269 B16R2.3896 Clc1ccccc1C(=O)c2cccnc2 1P00COKU [0,1,0,0,0,0|1,0,0]=2 270 B16R2.3896 Clc1ccccc1C(c2ccccc2)O 1P005LBA [0,1,0,0,0,0|0,0,2]=3 271 B16R2.3896 Clc1ccccc1C(c2cccnc2)N 1P01AJ66 [0,1,0,0,0,0|2,0,1]=4 272 B16R2.3896 Fc1ccccc1C(=O)c2ccccc2 1P003HS8 [0,1,0,0,0,0|0,0,0]=1 273 B16R2.3896 Fc1ccccc1C(=O)c2ccncc2 1P007RFT [0,1,0,0,0,0|1,0,0]=2 274 B16R2.3896 Fc1ccccc1C(c2ccccc2)Cl 1P028KMG [0,1,0,0,0,0|1,0,1]=3 275 B16R2.3896 Fc1ccccc1C(c2ccccc2)O 1P028K1T [0,1,0,0,0,0|0,0,2]=3 276 B16R2.3896 Ic1ccccc1C(=O)c2ccccc2 1P002R9Q [0,1,0,0,0,0|0,0,0]=1 277 B16R2.3896 Ic1ccccc1C(c2ccccc2)Br 1P01EMB0 [0,1,0,0,0,0|1,0,1]=3 278 B16R2.3896 Ic1ccccc1C(c2ccccc2)O 1P028RBC [0,1,0,0,0,0|0,0,2]=3 279 B16R2.3896 Nc1ccccc1C(=O)c2ccccc2 1P0033KQ [0,1,0,0,0,0|0,0,0]=1 280 B16R2.3896 Nc1ccccc1C(=O)c2ccccn2 1P00BY2P [0,1,0,0,0,0|1,0,0]=2 281 B16R2.3896 Nc1ccccc1C(=O)c2ccncc2 1P00H3FZ [0,1,0,0,0,0|1,0,0]=2 282 B16R2.3896 Nc1ccccc1C(c2ccccc2)N 1P003O7L [0,1,0,0,0,0|1,0,1]=3 283 B16R2.3896 Nc1ccccc1C(c2ccccc2)O 1P0010NQ [0,1,0,0,0,0|0,0,2]=3 284 B16R2.3896 Nc1ccccc1C(c2ccccn2)O 1P01BF9B [0,1,0,0,0,0|1,0,2]=4 285 B16R2.3896 Nc1ccccc1N(c2ccccc2)C 1P00E1T5 [0,1,0,0,0,0|2,0,0]=3 286 B16R2.3896 Nc1cccnc1C(=O)c2ccccc2 1P0076NL [0,1,0,0,0,0|1,0,0]=2 287 B16R2.3896 Nc1ccncc1C(=O)c2ccccc2 1P01RHUV [0,1,0,0,0,0|1,0,0]=2 288 B16R2.3896 Nc1ncccc1C(=O)c2ccccc2 1P00C1AH [0,1,0,0,0,0|1,0,0]=2 289 B16R2.3896 Oc1ccccc1C(=O)c2ccccc2 1P000DZT [0,1,0,0,0,0|0,0,0]=1 290 B16R2.3896 Oc1ccccc1C(c2ccccc2)C 1P0033AY [0,1,0,0,0,0|1,0,1]=3 291 B16R3.20606 BrC1c2ccccc2c3c1cccc3 1P003O14 [0,0,0,1,0,0|1,0,1]=3 292 B16R3.20606 C=C1c2ccccc2c3c1cccc3 1P00396Z [0,0,0,1,0,0|1,0,0]=2 293 B16R3.20606 CC1c2ccccc2c3c1cccc3 1P00BEWA [0,0,0,1,0,0|1,0,1]=3 294 B16R3.20606 C[S+]1c2ccccc2c3c1cccc3 1P01XC3B [0,0,0,1,0,0|2,0,0]=3 295 B16R3.20606 ClC1c2ccccc2c3c1cccc3 1P003O19 [0,0,0,1,0,0|1,0,1]=3 296 B16R3.20606 Cn1c2ccccc2c3c1cccc3 1P001LCN [0,0,0,1,0,0|2,0,0]=3 297 B16R3.20606 Cn1c2ccccc2c3c1cncc3 1P002RES [0,0,0,1,0,0|3,0,0]=4 298 B16R3.20606 N=C1c2ccccc2c3c1cccc3 1P00DXF6 [0,0,0,1,0,0|1,0,0]=2 299 B16R3.20606 NC1c2ccccc2c3c1cccc3 1P003O0P [0,0,0,1,0,0|1,0,1]=3 300 B16R3.20606 NC1c2ccccc2c3c1cccc3 1P00DELM [0,0,0,1,0,0|1,0,1]=3 301 B16R3.20606 Nn1c2ccccc2c3c1cccc3 1P00AUOE [0,0,0,1,0,0|2,0,0]=3 302 B16R3.20606 O=C1c2ccccc2c3c1cccc3 1P0034VU [0,0,0,1,0,0|0,0,0]=1 303 B16R3.20606 O=C1c2ccccc2c3c1cccn3 1P00C1AA [0,0,0,1,0,0|1,0,0]=2 304 B16R3.20606 O=C1c2cccnc2c3c1cccn3 1P0034QO [0,0,0,1,0,0|2,0,0]=3 305 B16R3.20606 O=C1c2ccncc2c3c1cccc3 1P00AMLS [0,0,0,1,0,0|1,0,0]=2 306 B16R3.20606 O=C1c2ncccc2c3c1nccc3 1P00394P [0,0,0,1,0,0|2,0,0]=3 307 B16R3.20606 O=s1c2ccccc2c3c1cccc3 1P0004MR [0,0,0,1,0,0|1,0,0]=2 308 B16R3.20606 OC1c2ccccc2c3c1cccc3 1P001YTU [0,0,0,1,0,0|0,0,2]=3 309 B14R2.114 CC(n1cccc1)c2ccccc2 1P01EUTZ [0,0,0,0,1,0|2,0,1]=4 310 B14R2.114 NC(c1ccco1)c2ccccc2 1P004VNA [0,0,0,0,1,0|2,0,1]=4 311 B14R2.114 NC(c1ccco1)c2ccccc2 1P00D9YT [0,0,0,0,1,0|2,0,1]=4 312 B14R2.114 NC(c1cccs1)c2ccccc2 1P00F02V [0,0,0,0,1,0|2,0,1]=4 313 B14R2.114 NC(c1cocc1)c2ccccc2 1P01AIVZ [0,0,0,0,1,0|2,0,1]=4 314 B14R2.114 NC(c1cocc1)c2ccccc2 1P01FKU5 [0,0,0,0,1,0|2,0,1]=4 315 B14R2.114 O=C(c1c[nH]cc1)c2ccccc2 1P003U64 [0,0,0,0,1,0|1,0,0]=2 316 B14R2.114 O=C(c1c[nH]cn1)c2ccccc2 1P00ELKT [0,0,0,0,1,0|2,0,0]=3 317 B14R2.114 O=C(c1ccc[nH]1)c2ccccc2 1P005FQ4 [0,0,0,0,1,0|1,0,0]=2 318 B14R2.114 O=C(c1ccccc1)C2=CCOC2 1P01DVIS [0,0,0,0,1,0|1,0,2]=4 319 B14R2.114 O=C(c1ccccc1)[C-]2C=CC=C2 1P000X8F [0,0,0,0,1,0|0,0,1]=2 320 B14R2.114 O=C(c1ccccc1)[C-]2C=CC=C2 1P0016JJ [0,0,0,0,1,0|0,0,1]=2 321 B14R2.114 O=C(c1ccco1)c2ccccc2 1P00BSXG [0,0,0,0,1,0|1,0,0]=2 322 B14R2.114 O=C(c1cccs1)c2ccccc2 1P003BMW [0,0,0,0,1,0|1,0,0]=2 323 B14R2.114 O=C(c1cccs1)c2ccccn2 1P00FB75 [0,0,0,0,1,0|2,0,0]=3 324 B14R2.114 O=C(c1cocn1)c2ccccc2 1P01DVNX [0,0,0,0,1,0|2,0,0]=3 325 B14R2.114 O=C(c1cscn1)c2ccccc2 1P01BD0C [0,0,0,0,1,0|2,0,0]=3 326 B14R2.114 O=C(c1ncc[nH]1)c2ccccc2 1P00I83N [0,0,0,0,1,0|2,0,0]=3 327 B14R2.114 O=C(c1ncc[nH]1)c2ccccn2 1P0029JE [0,0,0,0,1,0|3,0,0]=4 328 B14R2.114 O=C(c1ncc[nH]1)c2cccnc2 1P00GYQW [0,0,0,0,1,0|3,0,0]=4 329 B14R2.114 O=C(c1ncc[nH]1)c2ccncc2 1P00GYQI [0,0,0,0,1,0|3,0,0]=4 330 B14R2.114 O=C(c1nccs1)c2ccccc2 1P00FELQ [0,0,0,0,1,0|2,0,0]=3 331 B14R2.114 O=C(c1nccs1)c2ccccn2 1P00IGLL [0,0,0,0,1,0|3,0,0]=4 332 B14R2.114 O=C(c1nnc[nH]1)c2ccccc2 1P01E9J8 [0,0,0,0,1,0|3,0,0]=4 333 B14R2.114 O=C(c1nscc1)c2ccccc2 1P01DZN3 [0,0,0,0,1,0|2,0,0]=3 334 B14R2.114 O=C(n1cccc1)c2ccccc2 1P006WCK [0,0,0,0,1,0|1,0,0]=2 335 B14R2.114 O=C(n1cncc1)c2ccccc2 1P003T7F [0,0,0,0,1,0|2,0,0]=3 336 B14R2.114 OC(c1ccco1)c2ccccc2 1P0071PG [0,0,0,0,1,0|1,0,2]=4 337 B16R2.88 BrC(c1ccccc1)Cc2ccccc2 1P001XZT [0,0,0,0,0,1|1,0,1]=3 338 B16R2.88 CC(=Nc1ccccc1)c2ccccc2 1P0020IB [0,0,0,0,0,1|1,0,0]=2 339 B16R2.88 CC(c1ccccc1)Nc2ccccn2 1P01AAYR [0,0,0,0,0,1|2,0,1]=4 340 B16R2.88 CN(c1ccccc1)Cc2ccccc2 1P00IBBL [0,0,0,0,0,1|2,0,0]=3 341 B16R2.88 C\C(=C/c1ccccc1)\c2ccccc2 1P003CHJ [0,0,0,0,0,1|1,0,0]=2 342 B16R2.88 ClC(=Nc1cccnc1)c2ccccc2 1P01BVZS [0,0,0,0,0,1|2,0,0]=3 343 B16R2.88 ClC(c1ccccc1)Cc2ccccc2 1P01AKA1 [0,0,0,0,0,1|1,0,1]=3 344 B16R2.88 N=C(c1ccccc1)Nc2ccccc2 1P003TRV [0,0,0,0,0,1|1,0,0]=2 345 B16R2.88 NC(=Nc1cccnc1)c2ccccc2 1P01BHTO [0,0,0,0,0,1|2,0,0]=3 346 B16R2.88 NC(c1ccccc1)Cc2ccccc2 1P003DVL [0,0,0,0,0,1|1,0,1]=3 347 B16R2.88 NC(c1ccccc1)Cc2ccccn2 1P00EJZM [0,0,0,0,0,1|2,0,1]=4 348 B16R2.88 NC(c1ccccn1)Cc2ccccc2 1P00ATKQ [0,0,0,0,0,1|2,0,1]=4 349 B16R2.88 NN(c1ccccc1)Cc2ccccc2 1P003EG0 [0,0,0,0,0,1|2,0,0]=3 350 B16R2.88 NN(c1ccccc1)Cc2ccccc2 1P003EG1 [0,0,0,0,0,1|2,0,0]=3 351 B16R2.88 N[C@@H](c1ccccc1)Cc2ccccc2 1P007DMM [0,0,0,0,0,1|1,0,1]=3 352 B16R2.88 N[C@@H](c1ccccc1)Cc2ccccc2 1P01XGHV [0,0,0,0,0,1|1,0,1]=3 353 B16R2.88 N[C@H](c1ccccc1)Cc2ccccc2 1P01XGHU [0,0,0,0,0,1|1,0,1]=3 354 B16R2.88 N[C@H](c1ccccc1)Cc2ccccn2 1P00AD4Q [0,0,0,0,0,1|2,0,1]=4 355 B16R2.88 N[C@H](c1ccccc1)Cc2ccccn2 1P00ASKY [0,0,0,0,0,1|2,0,1]=4 356 B16R2.88 O=C(c1ccccc1)C[n+]2ccccc2 1P003F24 [0,0,0,0,0,1|1,0,0]=2 357 B16R2.88 O=C(c1ccccc1)Cc2ccccc2 1P0070NV [0,0,0,0,0,1|0,0,0]=1 358 B16R2.88 O=C(c1ccccc1)Cc2ccccn2 1P001T2U [0,0,0,0,0,1|1,0,0]=2 359 B16R2.88 O=C(c1ccccc1)Cc2ccncc2 1P001T2T [0,0,0,0,0,1|1,0,0]=2 360 B16R2.88 O=C(c1ccccc1)Nc2ccccc2 1P003OH9 [0,0,0,0,0,1|0,0,0]=1 361 B16R2.88 O=C(c1ccccc1)Nc2ccccn2 1P01C428 [0,0,0,0,0,1|1,0,0]=2 362 B16R2.88 O=C(c1ccccc1)Oc2ccccc2 1P003U5K [0,0,0,0,0,1|0,0,0]=1 363 B16R2.88 O=C(c1ccccc1)Sc2cncnc2 1P028V8L [0,0,0,0,0,1|2,0,0]=3 364 B16R2.88 O=C(c1ccccn1)C[n+]2ccccc2 1P007M60 [0,0,0,0,0,1|2,0,0]=3 365 B16R2.88 O=C(c1ccccn1)Cc2ccccc2 1P00BEAW [0,0,0,0,0,1|1,0,0]=2 366 B16R2.88 O=C(c1ccccn1)Cc2ccccn2 1P01IC2K [0,0,0,0,0,1|2,0,0]=3 367 B16R2.88 O=C(c1ccccn1)Cc2ccncc2 1P01C1O4 [0,0,0,0,0,1|2,0,0]=3 368 B16R2.88 O=C(c1ccccn1)Nc2ccccc2 1P003AKS [0,0,0,0,0,1|1,0,0]=2 369 B16R2.88 O=C(c1ccccn1)Nc2cccnc2 1P00BB7Y [0,0,0,0,0,1|2,0,0]=3 370 B16R2.88 O=C(c1cccnc1)Cc2ccccc2 1P001EB0 [0,0,0,0,0,1|1,0,0]=2 371 B16R2.88 O=C(c1cccnc1)Nc2ccccc2 1P0020VD [0,0,0,0,0,1|1,0,0]=2 372 B16R2.88 O=C(c1cccnc1)Nc2ccccc2 1P003TS2 [0,0,0,0,0,1|1,0,0]=2 373 B16R2.88 O=C(c1ccncc1)Cc2ccccc2 1P009516 [0,0,0,0,0,1|1,0,0]=2 374 B16R2.88 O=C(c1ccncc1)Nc2ccccc2 1P00309B [0,0,0,0,0,1|1,0,0]=2 375 B16R2.88 O=C(c1ccncc1)Nc2ccncc2 1P01FH1V [0,0,0,0,0,1|2,0,0]=3 376 B16R2.88 O=C(c1ccncc1)Nc2cnccn2 1P028C0P [0,0,0,0,0,1|3,0,0]=4 377 B16R2.88 O=C(c1ccncc1)Oc2ccccc2 1P00GW9I [0,0,0,0,0,1|1,0,0]=2 378 B16R2.88 O=S(c1ccccc1)Cc2ccccc2 1P004SK9 [0,0,0,0,0,1|1,0,0]=2 379 B16R2.88 OC(c1ccccc1)Cc2ccccc2 1P019Y3O [0,0,0,0,0,1|0,0,2]=3 380 B16R2.88 OC(c1cccnc1)Cc2ccccc2 1P01A1HD [0,0,0,0,0,1|1,0,2]=4 381 B16R2.88 O[C@H](c1ccccc1)Cc2ccccn2 1P01ADIY [0,0,0,0,0,1|1,0,2]=4 382 B16R2.88 S=C(c1ccccc1)Nc2ccccc2 1P003TS4 [0,0,0,0,0,1|0,1,0]=2 383 B16R2.88 S=C(c1ccccn1)Nc2ccccn2 1P01BC21 [0,0,0,0,0,1|2,1,0]=4 384 B16R2.88 [O-][N+](=Cc1ccccc1)c2ccccc2 1P0009UD [0,0,0,0,0,1|1,0,1]=3 385 B16R2.88 [O-]\[N+](=N/c1ccccc1)\c2ccccc2 1P003OEY [0,0,0,0,0,1|1,0,1]=3 386 B15R2.29 Brc1ccc(cc1)Cc2ccccc2 1P00BEFL [1,1,0,0,0,0|0,0,1]=3 387 B15R2.29 Brc1ccc(cc1)Nc2ccccc2 1P003AQ2 [1,1,0,0,0,0|1,0,0]=3 388 B15R2.29 Brc1ccc(cc1)Nc2cccnc2 1P01DDNI [1,1,0,0,0,0|2,0,0]=4 389 B15R2.29 Brc1ccc(cc1)Oc2ccccc2 1P0003WV [1,1,0,0,0,0|1,0,0]=3 390 B15R2.29 Brc1ccc(cc1)Oc2ccccn2 1P006ZEJ [1,1,0,0,0,0|2,0,0]=4 391 B15R2.29 Brc1ccc(cc1)Oc2cccnc2 1P01DZHR [1,1,0,0,0,0|2,0,0]=4 392 B15R2.29 Brc1ccc(cn1)Cc2ccccc2 1P01FM2T [1,1,0,0,0,0|1,0,1]=4 393 B15R2.29 Brc1ccc(nc1)Oc2ccccc2 1P00EITJ [1,1,0,0,0,0|2,0,0]=4 394 B15R2.29 Brc1ccc(nc1)Sc2ccccc2 1P00ANFZ [1,1,0,0,0,0|2,0,0]=4 395 B15R2.29 Cc1ccc(cc1)Cc2ccccc2 1P00EC7N [1,1,0,0,0,0|0,0,1]=3 396 B15R2.29 Cc1ccc(cc1)Nc2ccccc2 1P0037F0 [1,1,0,0,0,0|1,0,0]=3 397 B15R2.29 Cc1ccc(cc1)Nc2cccnc2 1P002W9M [1,1,0,0,0,0|2,0,0]=4 398 B15R2.29 Cc1ccc(cc1)Oc2ccccc2 1P00AQEM [1,1,0,0,0,0|1,0,0]=3 399 B15R2.29 Cc1ccc(cc1)Sc2ccccc2 1P003M8J [1,1,0,0,0,0|1,0,0]=3 400 B15R2.29 Cc1ccc(nc1)Nc2ccccc2 1P024KQV [1,1,0,0,0,0|2,0,0]=4 401 B15R2.29 Clc1ccc(cc1)Cc2ccccc2 1P003LNY [1,1,0,0,0,0|0,0,1]=3 402 B15R2.29 Clc1ccc(cc1)Cc2ccccn2 1P003FC5 [1,1,0,0,0,0|1,0,1]=4 403 B15R2.29 Clc1ccc(cc1)Cc2cccnc2 1P01EZSI [1,1,0,0,0,0|1,0,1]=4 404 B15R2.29 Clc1ccc(cc1)Cc2ccncc2 1P003KJI [1,1,0,0,0,0|1,0,1]=4 405 B15R2.29 Clc1ccc(cc1)Nc2ccccc2 1P007QGN [1,1,0,0,0,0|1,0,0]=3 406 B15R2.29 Clc1ccc(cc1)Oc2ccccc2 1P003LNX [1,1,0,0,0,0|1,0,0]=3 407 B15R2.29 Clc1ccc(cn1)Cc2ccccc2 1P00IZPT [1,1,0,0,0,0|1,0,1]=4 408 B15R2.29 Clc1ccc(cn1)Oc2ccccc2 1P01DX3N [1,1,0,0,0,0|2,0,0]=4 409 B15R2.29 Fc1ccc(cc1)Cc2ccccc2 1P003LW4 [1,1,0,0,0,0|0,0,1]=3 410 B15R2.29 Fc1ccc(cc1)Nc2ccccc2 1P003LW3 [1,1,0,0,0,0|1,0,0]=3 411 B15R2.29 Fc1ccc(cc1)Oc2ccccc2 1P003ESV [1,1,0,0,0,0|1,0,0]=3 412 B15R2.29 Fc1ccc(cn1)Oc2ccccc2 1P01FL04 [1,1,0,0,0,0|2,0,0]=4 413 B15R2.29 Ic1ccc(cc1)Cc2ccccc2 1P00C91T [1,1,0,0,0,0|0,0,1]=3 414 B15R2.29 Ic1ccc(cc1)Oc2ccccc2 1P002ZQI [1,1,0,0,0,0|1,0,0]=3 415 B15R2.29 Nc1ccc(cc1)Cc2ccccc2 1P000997 [1,1,0,0,0,0|0,0,1]=3 416 B15R2.29 Nc1ccc(cc1)Cc2ccccn2 1P00EES7 [1,1,0,0,0,0|1,0,1]=4 417 B15R2.29 Nc1ccc(cc1)Cc2ccccn2 1P00J1BG [1,1,0,0,0,0|1,0,1]=4 418 B15R2.29 Nc1ccc(cc1)Cc2cccnc2 1P0050Z9 [1,1,0,0,0,0|1,0,1]=4 419 B15R2.29 Nc1ccc(cc1)Cc2ccncc2 1P002UXS [1,1,0,0,0,0|1,0,1]=4 420 B15R2.29 Nc1ccc(cc1)Nc2ccccc2 1P003L7Z [1,1,0,0,0,0|1,0,0]=3 421 B15R2.29 Nc1ccc(cc1)Nc2ccccc2 1P003L80 [1,1,0,0,0,0|1,0,0]=3 422 B15R2.29 Nc1ccc(cc1)Nc2ccccc2 1P019GD6 [1,1,0,0,0,0|1,0,0]=3 423 B15R2.29 Nc1ccc(cc1)Nc2ccccn2 1P01BEJY [1,1,0,0,0,0|2,0,0]=4 424 B15R2.29 Nc1ccc(cc1)Nc2ccccn2 1P0283IS [1,1,0,0,0,0|2,0,0]=4 425 B15R2.29 Nc1ccc(cc1)Nc2ccncc2 1P01A593 [1,1,0,0,0,0|2,0,0]=4 426 B15R2.29 Nc1ccc(cc1)Nc2ccncc2 1P01C5K8 [1,1,0,0,0,0|2,0,0]=4 427 B15R2.29 Nc1ccc(cc1)Oc2ccccc2 1P003MFE [1,1,0,0,0,0|1,0,0]=3 428 B15R2.29 Nc1ccc(cc1)Oc2ccccn2 1P0197UK [1,1,0,0,0,0|2,0,0]=4 429 B15R2.29 Nc1ccc(cc1)Oc2cccnc2 1P0052LK [1,1,0,0,0,0|2,0,0]=4 430 B15R2.29 Nc1ccc(cc1)Oc2ccncc2 1P007JK9 [1,1,0,0,0,0|2,0,0]=4 431 B15R2.29 Nc1ccc(cc1)Sc2ccccc2 1P000996 [1,1,0,0,0,0|1,0,0]=3 432 B15R2.29 Nc1ccc(cc1)Sc2ccncc2 1P01A1ZS [1,1,0,0,0,0|2,0,0]=4 433 B15R2.29 Nc1ccc(cn1)Nc2ccccc2 1P01B5F7 [1,1,0,0,0,0|2,0,0]=4 434 B15R2.29 Nc1ccc(cn1)Oc2ccccc2 1P01AB4M [1,1,0,0,0,0|2,0,0]=4 435 B15R2.29 Nc1ccc(nc1)Nc2ccccc2 1P00DDPZ [1,1,0,0,0,0|2,0,0]=4 436 B15R2.29 Nc1ccc(nc1)Oc2ccccc2 1P002RB9 [1,1,0,0,0,0|2,0,0]=4 437 B15R2.29 Nc1ccc(nc1)Oc2ccccc2 1P019W0J [1,1,0,0,0,0|2,0,0]=4 438 B15R2.29 Oc1ccc(cc1)Cc2ccccc2 1P0003WW [1,1,0,0,0,0|0,0,1]=3 439 B15R2.29 Oc1ccc(cc1)Cc2ccccn2 1P01DWZ7 [1,1,0,0,0,0|1,0,1]=4 440 B15R2.29 Oc1ccc(cc1)Cc2cccnc2 1P01DX47 [1,1,0,0,0,0|1,0,1]=4 441 B15R2.29 Oc1ccc(cc1)Cc2ccncc2 1P01DTVQ [1,1,0,0,0,0|1,0,1]=4 442 B15R2.29 Oc1ccc(cc1)Nc2ccccc2 1P001703 [1,1,0,0,0,0|1,0,0]=3 443 B15R2.29 Oc1ccc(cc1)Nc2ccncc2 1P021K3Q [1,1,0,0,0,0|2,0,0]=4 444 B15R2.29 Oc1ccc(cc1)Oc2ccccc2 1P0034LF [1,1,0,0,0,0|1,0,0]=3 445 B15R2.29 Oc1ccc(cc1)Oc2ccccn2 1P006K7M [1,1,0,0,0,0|2,0,0]=4 446 B15R2.29 Oc1ccc(cc1)Oc2ccncc2 1P019YYG [1,1,0,0,0,0|2,0,0]=4 447 B15R2.29 Oc1ccc(cc1)Sc2ccccc2 1P00EG63 [1,1,0,0,0,0|1,0,0]=3 448 B15R2.29 Oc1ccc(cc1)Sc2ccncc2 1P01A91M [1,1,0,0,0,0|2,0,0]=4 449 B15R2.29 Oc1ccc(nc1)Cc2ccccc2 1P01K9IB [1,1,0,0,0,0|1,0,1]=4 450 B15R2.29 Oc1ccc(nc1)Oc2ccccc2 1P01BEMU [1,1,0,0,0,0|2,0,0]=4 451 B15R2.31 Brc1cccc(c1)Cc2ccccc2 1P002V8N [1,1,0,0,0,0|0,0,1]=3 452 B15R2.31 Brc1cccc(c1)Nc2ccccc2 1P00GTWL [1,1,0,0,0,0|1,0,0]=3 453 B15R2.31 Brc1cccc(c1)Oc2ccccc2 1P003JKZ [1,1,0,0,0,0|1,0,0]=3 454 B15R2.31 Brc1cccc(c1)Oc2ccncc2 1P019NV2 [1,1,0,0,0,0|2,0,0]=4 455 B15R2.31 Brc1cccc(c1)Sc2ccccc2 1P023PSO [1,1,0,0,0,0|1,0,0]=3 456 B15R2.31 Brc1cccc(n1)Nc2ccccc2 1P00BKGC [1,1,0,0,0,0|2,0,0]=4 457 B15R2.31 Brc1cccc(n1)Oc2ccccc2 1P00GNG9 [1,1,0,0,0,0|2,0,0]=4 458 B15R2.31 Brc1cncc(c1)Oc2ccccc2 1P00C4MF [1,1,0,0,0,0|2,0,0]=4 459 B15R2.31 Cc1cccc(c1)Cc2ccccc2 1P00EK54 [1,1,0,0,0,0|0,0,1]=3 460 B15R2.31 Cc1cccc(c1)Nc2ccccc2 1P003K7V [1,1,0,0,0,0|1,0,0]=3 461 B15R2.31 Cc1cccc(c1)Oc2ccccc2 1P003KBW [1,1,0,0,0,0|1,0,0]=3 462 B15R2.31 Clc1cccc(c1)Nc2ccccc2 1P0003WE [1,1,0,0,0,0|1,0,0]=3 463 B15R2.31 Fc1cccc(c1)Nc2ccccc2 1P006WU1 [1,1,0,0,0,0|1,0,0]=3 464 B15R2.31 Ic1cccc(c1)Cc2ccccc2 1P020LI6 [1,1,0,0,0,0|0,0,1]=3 465 B15R2.31 Ic1cccc(c1)Oc2ccccc2 1P01JMS3 [1,1,0,0,0,0|1,0,0]=3 466 B15R2.31 Ic1cccc(c1)Oc2ccncc2 1P01AAQP [1,1,0,0,0,0|2,0,0]=4 467 B15R2.31 Nc1cccc(c1)Cc2ccccc2 1P003JFB [1,1,0,0,0,0|0,0,1]=3 468 B15R2.31 Nc1cccc(c1)Nc2ccccc2 1P00ECZ7 [1,1,0,0,0,0|1,0,0]=3 469 B15R2.31 Nc1cccc(c1)Nc2ccccc2 1P00FAER [1,1,0,0,0,0|1,0,0]=3 470 B15R2.31 Nc1cccc(c1)Nc2ccncc2 1P019YOR [1,1,0,0,0,0|2,0,0]=4 471 B15R2.31 Nc1cccc(c1)Oc2ccccc2 1P003KBN [1,1,0,0,0,0|1,0,0]=3 472 B15R2.31 Nc1cccc(c1)Oc2ccccn2 1P004LWJ [1,1,0,0,0,0|2,0,0]=4 473 B15R2.31 Nc1cccc(c1)Oc2cccnc2 1P00HE6E [1,1,0,0,0,0|2,0,0]=4 474 B15R2.31 Nc1cccc(c1)Oc2ccncc2 1P01AI5Y [1,1,0,0,0,0|2,0,0]=4 475 B15R2.31 Nc1cccc(c1)Sc2ccccc2 1P01AH79 [1,1,0,0,0,0|1,0,0]=3 476 B15R2.31 Nc1cccc(c1)Sc2ccccc2 1P01B6SY [1,1,0,0,0,0|1,0,0]=3 477 B15R2.31 Nc1cccc(n1)Cc2ccccc2 1P00EMII [1,1,0,0,0,0|1,0,1]=4 478 B15R2.31 Nc1cccc(n1)Nc2ccccc2 1P01BVHD [1,1,0,0,0,0|2,0,0]=4 479 B15R2.31 Nc1cccc(n1)Nc2ccccc2 1P028Y6J [1,1,0,0,0,0|2,0,0]=4 480 B15R2.31 Nc1cccc(n1)Oc2ccccc2 1P01BKTS [1,1,0,0,0,0|2,0,0]=4 481 B15R2.31 Nc1ccnc(c1)Nc2ccccc2 1P01B7T5 [1,1,0,0,0,0|2,0,0]=4 482 B15R2.31 Nc1ccnc(c1)Oc2ccccc2 1P00CBLE [1,1,0,0,0,0|2,0,0]=4 483 B15R2.31 Nc1nccc(c1)Cc2ccccc2 1P028V9Q [1,1,0,0,0,0|1,0,1]=4 484 B15R2.31 Oc1ccc[n+](c1)Cc2ccccc2 1P00C0TO [1,1,0,0,0,0|1,0,1]=4 485 B15R2.31 Oc1cccc(c1)Cc2ccccc2 1P006ZJ4 [1,1,0,0,0,0|0,0,1]=3 486 B15R2.31 Oc1cccc(c1)Nc2ccccc2 1P0003WD [1,1,0,0,0,0|1,0,0]=3 487 B15R2.31 Oc1cccc(c1)Oc2ccccc2 1P003KBP [1,1,0,0,0,0|1,0,0]=3 488 B15R2.31 Oc1cccc(c1)Oc2ccccn2 1P019LDF [1,1,0,0,0,0|2,0,0]=4 489 B15R2.31 Oc1cccc(c1)Oc2cccnc2 1P01A4CU [1,1,0,0,0,0|2,0,0]=4 490 B15R2.31 Oc1cccc(c1)Oc2ccncc2 1P01A215 [1,1,0,0,0,0|2,0,0]=4 491 B15R2.31 Sc1cccc(c1)Oc2ccccc2 1P01X93N [1,1,0,0,0,0|1,0,0]=3 492 B15R2.38 Brc1ccccc1Cc2ccccc2 1P002NRM [1,1,0,0,0,0|0,0,1]=3 493 B15R2.38 Brc1ccccc1Nc2ccccc2 1P00EC6F [1,1,0,0,0,0|1,0,0]=3 494 B15R2.38 Brc1ccccc1Oc2ccccc2 1P00FAU6 [1,1,0,0,0,0|1,0,0]=3 495 B15R2.38 Brc1ccccc1Oc2ccccn2 1P01A1O7 [1,1,0,0,0,0|2,0,0]=4 496 B15R2.38 Brc1ccccc1Oc2ccncc2 1P019NVK [1,1,0,0,0,0|2,0,0]=4 497 B15R2.38 Brc1cccnc1Nc2ccccc2 1P01A2UP [1,1,0,0,0,0|2,0,0]=4 498 B15R2.38 Brc1cnccc1Nc2ccccc2 1P028S32 [1,1,0,0,0,0|2,0,0]=4 499 B15R2.38 Cc1ccccc1Nc2ccccc2 1P008TCE [1,1,0,0,0,0|1,0,0]=3 500 B15R2.38 Cc1cccnc1Nc2ccccc2 1P01EWEE [1,1,0,0,0,0|2,0,0]=4 501 B15R2.38 Clc1ccccc1Nc2ccccc2 1P00764O [1,1,0,0,0,0|1,0,0]=3 502 B15R2.38 Fc1ccccc1Cc2ccccc2 1P00BYIX [1,1,0,0,0,0|0,0,1]=3 503 B15R2.38 Fc1ccccc1Nc2ccccc2 1P00C1I9 [1,1,0,0,0,0|1,0,0]=3 504 B15R2.38 Ic1ccccc1Oc2ccccc2 1P00BYMD [1,1,0,0,0,0|1,0,0]=3 505 B15R2.38 N=c1ccccn1Cc2ccccc2 1P019O6S [1,1,0,0,0,0|1,0,1]=4 506 B15R2.38 Nc1ccccc1Cc2ccccc2 1P003BMX [1,1,0,0,0,0|0,0,1]=3 507 B15R2.38 Nc1ccccc1Cc2ccccn2 1P01BGHT [1,1,0,0,0,0|1,0,1]=4 508 B15R2.38 Nc1ccccc1Cc2cccnc2 1P01AD5K [1,1,0,0,0,0|1,0,1]=4 509 B15R2.38 Nc1ccccc1Nc2ccccc2 1P00IA01 [1,1,0,0,0,0|1,0,0]=3 510 B15R2.38 Nc1ccccc1Nc2ccccc2 1P01EKIV [1,1,0,0,0,0|1,0,0]=3 511 B15R2.38 Nc1ccccc1Nc2ccccn2 1P017KE6 [1,1,0,0,0,0|2,0,0]=4 512 B15R2.38 Nc1ccccc1Nc2ccncc2 1P00EF9O [1,1,0,0,0,0|2,0,0]=4 513 B15R2.38 Nc1ccccc1Oc2ccccc2 1P0033VZ [1,1,0,0,0,0|1,0,0]=3 514 B15R2.38 Nc1ccccc1Oc2ccccn2 1P01AJA2 [1,1,0,0,0,0|2,0,0]=4 515 B15R2.38 Nc1ccccc1Oc2cccnc2 1P00583P [1,1,0,0,0,0|2,0,0]=4 516 B15R2.38 Nc1ccccc1Oc2ccncc2 1P01AHOL [1,1,0,0,0,0|2,0,0]=4 517 B15R2.38 Nc1ccccc1Sc2ccccc2 1P0008WF [1,1,0,0,0,0|1,0,0]=3 518 B15R2.38 Nc1cccnc1Nc2ccccc2 1P00C8QM [1,1,0,0,0,0|2,0,0]=4 519 B15R2.38 Nc1cccnc1Oc2ccccc2 1P00BDP0 [1,1,0,0,0,0|2,0,0]=4 520 B15R2.38 Nc1cccnc1Sc2ccccc2 1P018SS2 [1,1,0,0,0,0|2,0,0]=4 521 B15R2.38 Nc1ccncc1Nc2ccccc2 1P028ITD [1,1,0,0,0,0|2,0,0]=4 522 B15R2.38 Nc1ccncc1Oc2ccccc2 1P00HT2L [1,1,0,0,0,0|2,0,0]=4 523 B15R2.38 Nc1cnccc1Nc2ccccc2 1P00COXW [1,1,0,0,0,0|2,0,0]=4 524 B15R2.38 Nc1cnccc1Oc2ccccc2 1P01A8T3 [1,1,0,0,0,0|2,0,0]=4 525 B15R2.38 Nc1ncccc1Nc2ccccc2 1P021K4S [1,1,0,0,0,0|2,0,0]=4 526 B15R2.38 Nc1ncccc1Oc2ccccc2 1P00CMOT [1,1,0,0,0,0|2,0,0]=4 527 B15R2.38 O=c1ccccn1Cc2ccccc2 1P0021CE [1,1,0,0,0,0|1,0,1]=4 528 B15R2.38 Oc1ccccc1Cc2ccncc2 1P01C47V [1,1,0,0,0,0|1,0,1]=4 529 B15R2.38 Oc1ccccc1Oc2ccccc2 1P00BIKB [1,1,0,0,0,0|1,0,0]=3 530 B15R2.38 Oc1ccccc1Oc2ccccn2 1P00D2UT [1,1,0,0,0,0|2,0,0]=4 531 B15R2.38 Oc1ccccc1Oc2ccncc2 1P028F4K [1,1,0,0,0,0|2,0,0]=4 532 B15R2.91 Brc1ccc(cc1)C(=O)c2ccco2 1P00HTFE [0,1,0,0,1,0|1,0,0]=3 533 B15R2.91 Brc1ccc(cc1)C(=O)c2cccs2 1P00CRE4 [0,1,0,0,1,0|1,0,0]=3 534 B15R2.91 Brc1ccc(cc1)C(=O)c2ncc[nH]2 1P006TVC [0,1,0,0,1,0|2,0,0]=4 535 B15R2.91 Cc1ccc(cc1)C(=O)c2ccco2 1P009CIQ [0,1,0,0,1,0|1,0,0]=3 536 B15R2.91 Cc1ccc(cc1)C(=O)c2ncc[nH]2 1P000DY8 [0,1,0,0,1,0|2,0,0]=4 537 B15R2.91 Cc1ccc(cc1)[S@@](=O)[C-]2C=CC=C2 1P001V82 [0,1,0,0,1,0|1,0,1]=4 538 B15R2.91 Cc1ccc(cc1)[S@](=O)[C-]2C=CC=C2 1P000UMG [0,1,0,0,1,0|1,0,1]=4 539 B15R2.91 Clc1ccc(cc1)C(=O)c2c[nH]cc2 1P00EE62 [0,1,0,0,1,0|1,0,0]=3 540 B15R2.91 Clc1ccc(cc1)C(=O)c2c[nH]nc2 1P01FJR3 [0,1,0,0,1,0|2,0,0]=4 541 B15R2.91 Clc1ccc(cc1)C(=O)c2ccc[nH]2 1P00101M [0,1,0,0,1,0|1,0,0]=3 542 B15R2.91 Clc1ccc(cc1)C(=O)c2cscc2 1P0045DG [0,1,0,0,1,0|1,0,0]=3 543 B15R2.91 Clc1ccc(cc1)C(=O)c2ncc[nH]2 1P00ECME [0,1,0,0,1,0|2,0,0]=4 544 B15R2.91 Fc1ccc(cc1)C(=O)c2ccco2 1P001QHO [0,1,0,0,1,0|1,0,0]=3 545 B15R2.91 Fc1ccc(cc1)C(=O)c2cccs2 1P003LWJ [0,1,0,0,1,0|1,0,0]=3 546 B15R2.91 Fc1ccc(cc1)C(=O)c2ncc[nH]2 1P006TVO [0,1,0,0,1,0|2,0,0]=4 547 B15R2.91 O=C(c1nc[nH]c1)c2ccc(cc2)Cl 1P0282LA [0,1,0,0,1,0|2,0,0]=4 548 B15R2.91 Oc1ccc(cc1)C(=O)c2cccs2 1P02901O [0,1,0,0,1,0|1,0,0]=3 549 B15R2.297 Brc1ccc(s1)C(=O)c2ccccc2 1P00BC6F [0,1,0,0,1,0|1,0,0]=3 550 B15R2.297 Cc1ccc(s1)C(=O)c2ccccc2 1P01DWR0 [0,1,0,0,1,0|1,0,0]=3 551 B15R2.297 Clc1ccc([nH]1)C(=O)c2ccccc2 1P01JRUW [0,1,0,0,1,0|1,0,0]=3 552 B15R2.297 Cn1ncc(c1)C(=O)c2ccccc2 1P01B8Q3 [0,1,0,0,1,0|2,0,0]=4 553 B15R2.353 O=S(=O)(n1cccc1)c2ccccc2 1P001YKF [0,1,0,0,1,0|2,0,0]=4 554 B15R2.358 Oc1ccccc1C(=O)c2conc2 1P00DIWV [0,1,0,0,1,0|2,0,0]=4 555 B15R2.395 Cc1ccsc1C(=O)c2ccccc2 1P01AGYL [0,1,0,0,1,0|1,0,0]=3 556 B15R2.395 Cn1cccc1C(=O)c2ccccc2 1P00CMSP [0,1,0,0,1,0|1,0,0]=3 557 B15R2.395 Nc1sccc1C(=O)c2ccccc2 1P00BEDA [0,1,0,0,1,0|1,0,0]=3 558 B15R2.1108 Brc1cccc(c1)C(=O)c2cccs2 1P003C85 [0,1,0,0,1,0|1,0,0]=3 559 B17R2.162 CCN(c1ccccc1)Cc2ccccc2 1P003T8T [0,1,0,0,0,1|2,0,0]=4 560 B17R2.162 N#CC(=Cc1ccccc1)c2ccccc2 1P003VWR [0,1,0,0,0,1|1,0,0]=3 561 B17R2.162 N#CC(=Cc1ccccc1)c2ccccn2 1P01B1NY [0,1,0,0,0,1|2,0,0]=4 562 B17R2.162 N=NN(c1ccccc1)Cc2ccccc2 1P01FFRL [0,1,0,0,0,1|2,0,0]=4 563 B17R2.162 NCC(c1ccccc1)Cc2ccccc2 1P00DVXD [0,1,0,0,0,1|1,0,1]=4 564 B17R2.162 NCC(c1ccccc1)Oc2ccccc2 1P01BFVR [0,1,0,0,0,1|1,0,1]=4 565 B17R2.162 NN=C(c1ccccn1)Cc2ccccc2 1P019WGJ [0,1,0,0,0,1|2,0,0]=4 566 B17R2.162 O=NN(c1ccccc1)Cc2ccccc2 1P00F3F7 [0,1,0,0,0,1|1,0,0]=3 567 B17R2.162 OCC(c1ccccc1)Nc2ccccc2 1P01B2AW [0,1,0,0,0,1|0,0,2]=4 568 B17R2.162 OC[C@@H](c1ccccc1)Nc2ccccc2 1P01C5X3 [0,1,0,0,0,1|0,0,2]=4 569 B17R2.162 OC[C@H](c1ccccc1)Nc2ccccc2 1P007LX9 [0,1,0,0,0,1|0,0,2]=4 570 B17R2.162 O\N=C(/c1ccccc1)\Cc2ccccc2 1P003749 [0,1,0,0,0,1|0,0,1]=3 571 B17R2.192 Brc1ccc(cc1)C(=O)Cc2ccccc2 1P002D07 [0,1,0,0,0,1|0,0,0]=2 572 B17R2.192 Brc1ccc(cc1)C(=O)Cc2ccccn2 1P019XHP [0,1,0,0,0,1|1,0,0]=3 573 B17R2.192 Brc1ccc(cc1)C(=O)Cc2ccncc2 1P0002CQ [0,1,0,0,0,1|1,0,0]=3 574 B17R2.192 Brc1ccc(cc1)C(=O)Nc2ccccc2 1P003TRK [0,1,0,0,0,1|0,0,0]=2 575 B17R2.192 Brc1ccc(cc1)C(=O)Nc2ccccn2 1P00AXL0 [0,1,0,0,0,1|1,0,0]=3 576 B17R2.192 Brc1ccc(cc1)C(=O)Nc2cnccn2 1P019S79 [0,1,0,0,0,1|2,0,0]=4 577 B17R2.192 Brc1ccc(cc1)C(Cc2ccccc2)O 1P01AAMJ [0,1,0,0,0,1|0,0,2]=4 578 B17R2.192 Brc1ccc(cc1)[C@@H](Cc2ccccc2)N 1P028B5O [0,1,0,0,0,1|1,0,1]=4 579 B17R2.192 Brc1ccc(nc1)C(=O)Nc2ccccc2 1P01C435 [0,1,0,0,0,1|1,0,0]=3 580 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccccn2 1P005NRC [0,1,0,0,0,1|1,0,0]=3 581 B17R2.192 Cc1ccc(cc1)C(=O)Cc2ccncc2 1P0003IK [0,1,0,0,0,1|1,0,0]=3 582 B17R2.192 Cc1ccc(cc1)[S@](=O)Cc2ccccn2 1P01KKHJ [0,1,0,0,0,1|2,0,0]=4 583 B17R2.192 Clc1ccc(cc1)C(=O)Cc2ccccc2 1P002HY8 [0,1,0,0,0,1|0,0,0]=2 584 B17R2.192 Clc1ccc(cc1)C(=O)Cc2ccccn2 1P019TLU [0,1,0,0,0,1|1,0,0]=3 585 B17R2.192 Clc1ccc(cc1)C(=O)Cc2cccnc2 1P00IATA [0,1,0,0,0,1|1,0,0]=3 586 B17R2.192 Clc1ccc(cc1)C(=O)Nc2ccccc2 1P0064NK [0,1,0,0,0,1|0,0,0]=2 587 B17R2.192 Clc1ccc(cc1)C(=O)Oc2ccccc2 1P007SIC [0,1,0,0,0,1|0,0,0]=2 588 B17R2.192 Clc1ccc(cc1)C(Cc2ccccc2)N 1P019XIE [0,1,0,0,0,1|1,0,1]=4 589 B17R2.192 Clc1ccc(cc1)C(Nc2ccccc2)C 1P019UIU [0,1,0,0,0,1|1,0,1]=4 590 B17R2.192 Clc1ccc(nn1)C(=O)Nc2ccccc2 1P01AIDK [0,1,0,0,0,1|2,0,0]=4 591 B17R2.192 Fc1ccc(cc1)C(=O)Cc2ccccc2 1P003DG6 [0,1,0,0,0,1|0,0,0]=2 592 B17R2.192 Fc1ccc(cc1)C(=O)Cc2ccncc2 1P00FAES [0,1,0,0,0,1|1,0,0]=3 593 B17R2.192 Fc1ccc(cc1)C(=O)Nc2ccccc2 1P00CKC6 [0,1,0,0,0,1|0,0,0]=2 594 B17R2.192 Fc1ccc(cc1)C(Cc2ccccc2)N 1P0285TT [0,1,0,0,0,1|1,0,1]=4 595 B17R2.192 Ic1ccc(cc1)C(=O)Nc2cnccn2 1P019R3R [0,1,0,0,0,1|2,0,0]=4 596 B17R2.192 Nc1ccc(cc1)C(=O)Nc2ccccc2 1P003L8H [0,1,0,0,0,1|0,0,0]=2 597 B17R2.192 Nc1ccc(cc1)C(=O)Nc2ccccn2 1P003L87 [0,1,0,0,0,1|1,0,0]=3 598 B17R2.192 Nc1ccc(cc1)C(=O)Nc2cccnc2 1P000ZYB [0,1,0,0,0,1|1,0,0]=3 599 B17R2.192 Nc1ccc(cc1)C(Sc2ccccc2)C 1P019Z97 [0,1,0,0,0,1|1,0,1]=4 600 B17R2.192 Nc1ccc(cc1)N(Cc2ccccc2)C 1P019WKS [0,1,0,0,0,1|2,0,0]=4 601 B17R2.192 Oc1ccc(cc1)C(=O)Cc2ccccc2 1P002QB7 [0,1,0,0,0,1|0,0,0]=2 602 B17R2.192 Oc1ccc(cc1)C(=O)Cc2ccncc2 1P019R0Z [0,1,0,0,0,1|1,0,0]=3 603 B17R2.192 Oc1ccc(cc1)C(=O)Nc2ccccc2 1P009X4R [0,1,0,0,0,1|0,0,0]=2 604 B17R2.192 Oc1ccc(cc1)C(=O)Nc2ccccn2 1P01AB4S [0,1,0,0,0,1|1,0,0]=3 605 B17R2.192 Oc1ccc(cc1)C(=O)Nc2cccnc2 1P00G9LN [0,1,0,0,0,1|1,0,0]=3 606 B17R2.192 Oc1ccc(cc1)C(=O)Oc2ccccc2 1P0025GT [0,1,0,0,0,1|0,0,0]=2 607 B17R2.192 Oc1ccc(cc1)[S+](Cc2ccccc2)C 1P00IMUN [0,1,0,0,0,1|2,0,0]=4 608 B17R2.209 Brc1ccc(cc1)CC(=O)c2ccccc2 1P00C2RE [0,1,0,0,0,1|0,0,0]=2 609 B17R2.209 Brc1ccc(cc1)NC(=O)c2ccccn2 1P001DIY [0,1,0,0,0,1|1,0,0]=3 610 B17R2.209 Cc1cc[n+](cc1)CC(=O)c2ccccc2 1P01EXKK [0,1,0,0,0,1|1,0,0]=3 611 B17R2.209 Cc1ccc(cc1)CC(=O)c2ccccc2 1P003FDT [0,1,0,0,0,1|0,0,0]=2 612 B17R2.209 Cc1ccc(cc1)CC(=O)c2cccnc2 1P00D6PT [0,1,0,0,0,1|1,0,0]=3 613 B17R2.209 Cc1ccc(cc1)CC(c2ccccc2)N 1P002ZW1 [0,1,0,0,0,1|1,0,1]=4 614 B17R2.209 Cc1ccc(cc1)C[C@@H](c2ccccc2)N 1P00308U [0,1,0,0,0,1|1,0,1]=4 615 B17R2.209 Cc1ccc(cc1)NC(=O)c2ccccc2 1P01BYBH [0,1,0,0,0,1|0,0,0]=2 616 B17R2.209 Cc1ccc(cc1)OC(=O)c2ccccc2 1P003M93 [0,1,0,0,0,1|0,0,0]=2 617 B17R2.209 Cc1ccc(cn1)NC(=O)c2ccccc2 1P01A5XR [0,1,0,0,0,1|1,0,0]=3 618 B17R2.209 Clc1ccc(cc1)CC(=O)c2ccccc2 1P00EF0I [0,1,0,0,0,1|0,0,0]=2 619 B17R2.209 Clc1ccc(cc1)CC(=O)c2ccccn2 1P01A4CL [0,1,0,0,0,1|1,0,0]=3 620 B17R2.209 Clc1ccc(cc1)CC(c2ccccc2)N 1P00G1D2 [0,1,0,0,0,1|1,0,1]=4 621 B17R2.209 Clc1ccc(cc1)OC(=O)c2ccccc2 1P002DAC [0,1,0,0,0,1|0,0,0]=2 622 B17R2.209 Clc1ccc(cn1)SC(=O)c2ccccc2 1P028VUT [0,1,0,0,0,1|1,0,0]=3 623 B17R2.209 Fc1ccc(cc1)CC(=O)c2ccccc2 1P00CAF2 [0,1,0,0,0,1|0,0,0]=2 624 B17R2.209 Fc1ccc(cc1)CC(c2ccccc2)N 1P01AAMO [0,1,0,0,0,1|1,0,1]=4 625 B17R2.209 Fc1ccc(cc1)CC(c2ccccc2)N 1P028G21 [0,1,0,0,0,1|1,0,1]=4 626 B17R2.209 Ic1ccc(cc1)NC(=O)c2ccccc2 1P01DKG8 [0,1,0,0,0,1|0,0,0]=2 627 B17R2.209 Nc1ccc(cc1)NC(=O)c2ccccc2 1P0024ZL [0,1,0,0,0,1|0,0,0]=2 628 B17R2.209 Nc1ccc(cc1)NC(=O)c2cccnc2 1P002F53 [0,1,0,0,0,1|1,0,0]=3 629 B17R2.209 Nc1ccc(cc1)NC(c2ccccc2)C 1P019X20 [0,1,0,0,0,1|1,0,1]=4 630 B17R2.209 Nc1ccc(cc1)OC(=O)c2ccccc2 1P01JMGO [0,1,0,0,0,1|0,0,0]=2 631 B17R2.209 Nc1ccc(cc1)OC(c2ccccc2)C 1P01EJX7 [0,1,0,0,0,1|1,0,1]=4 632 B17R2.209 Nc1ccc(cn1)NC(=O)c2ccccc2 1P00H60I [0,1,0,0,0,1|1,0,0]=3 633 B17R2.209 Nc1ccc(nc1)NC(=O)c2ccccc2 1P019Q8X [0,1,0,0,0,1|1,0,0]=3 634 B17R2.209 Oc1ccc(cc1)NC(=O)c2ccccc2 1P00ACE1 [0,1,0,0,0,1|0,0,0]=2 635 B17R2.209 Oc1ccc(cc1)OC(=O)c2ccccc2 1P003M0C [0,1,0,0,0,1|0,0,0]=2 636 B17R2.3417 CN(c1ccccc1N)Cc2ccccc2 1P019Y06 [0,1,0,0,0,1|2,0,0]=4 637 B17R2.3417 ClN(c1ccccc1Cl)Nc2ccccc2 1P005NVF [0,1,0,0,0,1|2,0,0]=4 638 B17R2.3417 NC(c1ccccc1F)Cc2ccccc2 1P01AKY9 [0,1,0,0,0,1|1,0,1]=4 639 B17R2.3417 O=C(c1ccccc1Br)Nc2ncccn2 1P01A0HP [0,1,0,0,0,1|2,0,0]=4 640 B17R2.3417 O=C(c1ccccc1Cl)Cc2ccccc2 1P00ICSG [0,1,0,0,0,1|0,0,0]=2 641 B17R2.3417 O=C(c1ccccc1Cl)Cc2ccncc2 1P007Q8L [0,1,0,0,0,1|1,0,0]=3 642 B17R2.3417 O=C(c1ccccc1F)Cc2ccccc2 1P00558Q [0,1,0,0,0,1|0,0,0]=2 643 B17R2.3417 O=C(c1ccccc1N)Nc2cccnc2 1P0058CB [0,1,0,0,0,1|1,0,0]=3 644 B17R2.3417 O=C(c1ccccc1N)Nc2ccncc2 1P00H5CU [0,1,0,0,0,1|1,0,0]=3 645 B17R2.3417 O=C(c1ccccc1N)Oc2ccccc2 1P0008L2 [0,1,0,0,0,1|0,0,0]=2 646 B17R2.3417 O=C(c1ccccc1O)Cc2ccccc2 1P002QB8 [0,1,0,0,0,1|0,0,0]=2 647 B17R2.3417 O=C(c1ccccc1O)Nc2ccccc2 1P003UNB [0,1,0,0,0,1|0,0,0]=2 648 B17R2.3417 O=C(c1ccccc1O)Nc2ccccn2 1P007LQ2 [0,1,0,0,0,1|1,0,0]=3 649 B17R2.3417 O=C(c1ccccc1O)Oc2ccccc2 1P003U5Z [0,1,0,0,0,1|0,0,0]=2 650 B17R2.3417 O=C(c1ncccc1I)Nc2ccccc2 1P00EKAV [0,1,0,0,0,1|1,0,0]=3 651 B17R2.3417 OC(c1ccccc1O)Cc2ccccc2 1P00D6V4 [0,1,0,0,0,1|0,0,2]=4 652 B17R2.3426 CC(c1ccccc1)Nc2ccccc2N 1P00JWYQ [0,1,0,0,0,1|1,0,1]=4 653 B17R2.3426 CC(c1ccccc1)Oc2ccccc2N 1P01AJ7K [0,1,0,0,0,1|1,0,1]=4 654 B17R2.3426 CN(c1ccccc1)Cc2ccccc2N 1P01BGBY [0,1,0,0,0,1|2,0,0]=4 655 B17R2.3426 NC(c1ccccc1)Cc2ccccc2Cl 1P01A82N [0,1,0,0,0,1|1,0,1]=4 656 B17R2.3426 O=C(c1ccccc1)Cc2ccccc2Br 1P001YVY [0,1,0,0,0,1|0,0,0]=2 657 B17R2.3426 O=C(c1ccccc1)Cc2ccccc2Cl 1P00EFEJ [0,1,0,0,0,1|0,0,0]=2 658 B17R2.3426 O=C(c1ccccc1)Cc2ccccc2F 1P00C9MD [0,1,0,0,0,1|0,0,0]=2 659 B17R2.3426 O=C(c1ccccc1)Cn2cccnc2=O 1P01AFZC [0,1,0,0,0,1|2,0,0]=4 660 B17R2.3426 O=C(c1ccccc1)Nc2ccccc2C 1P00EOZW [0,1,0,0,0,1|0,0,0]=2 661 B17R2.3426 O=C(c1ccccc1)Nc2ccccc2N 1P003GZU [0,1,0,0,0,1|0,0,0]=2 662 B17R2.3426 O=C(c1ccccc1)Nc2ccncc2N 1P01EABK [0,1,0,0,0,1|1,0,0]=3 663 B17R2.3426 O=C(c1ccccc1)Sc2cccnc2F 1P0285SR [0,1,0,0,0,1|1,0,0]=3 664 B17R2.3426 O=C(c1ccccc1)Sc2cnccc2C 1P0283HJ [0,1,0,0,0,1|1,0,0]=3 665 B17R2.3426 O=C(c1ccccc1)Sc2cncnc2C 1P0283R9 [0,1,0,0,0,1|2,0,0]=4 666 B17R2.3426 O=C(c1ccncc1)Nc2ccccc2N 1P008SRF [0,1,0,0,0,1|1,0,0]=3 667 B17R2.3426 O=C(c1cnccn1)Nc2ccccc2N 1P00GUOR [0,1,0,0,0,1|2,0,0]=4 668 B17R2.3426 O=C(c1cnccn1)Nc2ccccc2N 1P028324 [0,1,0,0,0,1|2,0,0]=4 669 B17R2.5273 Brc1cccc(c1)C(=O)Cc2ccccc2 1P00CA8M [0,1,0,0,0,1|0,0,0]=2 670 B17R2.5273 Brc1cccc(c1)C(=O)Nc2ccccc2 1P00EC3O [0,1,0,0,0,1|0,0,0]=2 671 B17R2.5273 Brc1cccc(c1)C(=O)Nc2cccnc2 1P01AJV1 [0,1,0,0,0,1|1,0,0]=3 672 B17R2.5273 Cc1cccc(c1)C(=O)Cc2ccncc2 1P0070UW [0,1,0,0,0,1|1,0,0]=3 673 B17R2.5273 Clc1cccc(c1)C(=O)Cc2cccnc2 1P00I4VX [0,1,0,0,0,1|1,0,0]=3 674 B17R2.5273 Clc1ccnc(c1)C(=O)Nc2ccccc2 1P0071NQ [0,1,0,0,0,1|1,0,0]=3 675 B17R2.5273 Clc1nccc(c1)C(=O)Nc2ccccc2 1P003HJN [0,1,0,0,0,1|1,0,0]=3 676 B17R2.5273 Fc1cccc(c1)C(=O)Nc2ccccc2 1P001U04 [0,1,0,0,0,1|0,0,0]=2 677 B17R2.5273 Nc1cccc(c1)C(=O)Nc2ccccn2 1P01A97S [0,1,0,0,0,1|1,0,0]=3 678 B17R2.5273 Nc1cccc(c1)C(=O)Nc2cccnc2 1P006VZW [0,1,0,0,0,1|1,0,0]=3 679 B17R2.5273 Nc1cccc(c1)C(=O)Nc2ccncc2 1P01A98B [0,1,0,0,0,1|1,0,0]=3 680 B17R2.5273 Nc1cccc(c1)C(=O)Nc2cnccn2 1P01A8TX [0,1,0,0,0,1|2,0,0]=4 681 B17R2.5273 Oc1cccc(c1)C(=O)Nc2ccccc2 1P00BDQW [0,1,0,0,0,1|0,0,0]=2 682 B17R2.5293 Brc1cccc(c1)CC(=O)c2ccccc2 1P002V8K [0,1,0,0,0,1|0,0,0]=2 683 B17R2.5293 Brc1cccc(c1)CN(c2ccccc2)C 1P01AFPK [0,1,0,0,0,1|2,0,0]=4 684 B17R2.5293 Brc1cccc(c1)NC(=O)c2ccccc2 1P00VUI2 [0,1,0,0,0,1|0,0,0]=2 685 B17R2.5293 Brc1cccc(c1)NC(=O)c2cccnc2 1P01A47R [0,1,0,0,0,1|1,0,0]=3 686 B17R2.5293 Brc1cccc(n1)NC(=O)c2ccccc2 1P01AKWZ [0,1,0,0,0,1|1,0,0]=3 687 B17R2.5293 Brc1nccc(c1)CC(=O)c2ccccn2 1P00DF2V [0,1,0,0,0,1|2,0,0]=4 688 B17R2.5293 Cc1cccc(c1)NC(=N)c2ccccc2 1P019T91 [0,1,0,0,0,1|1,0,0]=3 689 B17R2.5293 Cc1cccc(c1)NC(=O)c2ccccc2 1P01CB4V [0,1,0,0,0,1|0,0,0]=2 690 B17R2.5293 Cc1ccnc(c1)NC(=O)c2ccccc2 1P01FEZC [0,1,0,0,0,1|1,0,0]=3 691 B17R2.5293 Cc1ccnc(c1)NC(=O)c2ccncc2 1P01FC70 [0,1,0,0,0,1|2,0,0]=4 692 B17R2.5293 Clc1cccc(c1)NC(=O)c2ccccn2 1P00ED04 [0,1,0,0,0,1|1,0,0]=3 693 B17R2.5293 Clc1cccc(c1)NC(=O)c2ccccn2 1P01V7IO [0,1,0,0,0,1|1,0,0]=3 694 B17R2.5293 Clc1nccc(c1)NC(=O)c2ccccc2 1P01KKSR [0,1,0,0,0,1|1,0,0]=3 695 B17R2.5293 Fc1cccc(c1)NC(=O)c2cnccn2 1P01PX1S [0,1,0,0,0,1|2,0,0]=4 696 B17R2.5293 Nc1cccc(c1)CS(=O)c2ccccc2 1P01AJA4 [0,1,0,0,0,1|1,0,0]=3 697 B17R2.5293 Nc1cccc(c1)NC(=O)c2ccccc2 1P001VXJ [0,1,0,0,0,1|0,0,0]=2 698 B17R2.5293 Nc1cccc(c1)NC(=O)c2cccnc2 1P00EEJ0 [0,1,0,0,0,1|1,0,0]=3 699 B17R2.5293 Nc1cccc(c1)NC(=O)c2cccnc2 1P028BFV [0,1,0,0,0,1|1,0,0]=3 700 B17R2.5293 Nc1cccc(c1)NC(=O)c2ccncc2 1P00H50G [0,1,0,0,0,1|1,0,0]=3 701 B17R2.5293 O=c1nccc([nH]1)NC(=O)c2ccccc2 1P0035SL [0,1,0,0,0,1|2,0,0]=4 702 B17R2.5293 Oc1ccc[n+](c1)CC(=O)c2ccccc2 1P01EWZZ [0,1,0,0,0,1|1,0,0]=3 703 B17R2.5293 Oc1cccc(c1)CC(c2ccccc2)N 1P01A0WO [0,1,0,0,0,1|1,0,1]=4 704 B17R2.5293 Oc1cccc(c1)CC(c2ccccc2)N 1P01AER9 [0,1,0,0,0,1|1,0,1]=4 705 B17R2.5293 Oc1cccc(c1)NC(=O)c2ccccc2 1P007A7Z [0,1,0,0,0,1|0,0,0]=2 706 B17R2.10205 BrC(C(=O)c1ccccc1)c2ccccc2 1P001LDE [0,1,0,0,0,1|0,0,0]=2 707 B17R2.10205 Br[C@H]([C@@H](c1ccccc1)Br)c2ccccc2 1P003DU5 [0,1,0,0,0,1|1,0,1]=4 708 B17R2.10205 CN(C(=O)c1ccccc1)c2ccccc2 1P00B4XM [0,1,0,0,0,1|0,0,0]=2 709 B17R2.10205 CN(C(=O)c1ccncc1)c2ccncc2 1P01FB7I [0,1,0,0,0,1|2,0,0]=4 710 B17R2.10205 ClC(C(=O)c1ccccc1)c2ccccc2 1P003PQG [0,1,0,0,0,1|0,0,0]=2 711 B17R2.10205 NC(C(=O)c1ccccc1)c2ccccc2 1P004E2I [0,1,0,0,0,1|0,0,0]=2 712 B17R2.10205 NC(C(c1ccccc1)N)c2ccccc2 1P00IAN0 [0,1,0,0,0,1|1,0,1]=4 713 B17R2.10205 NC(C(c1ccccc1)O)c2ccccc2 1P00DENO [0,1,0,0,0,1|0,0,2]=4 714 B17R2.10205 N[C@@H]([C@@H](c1ccccc1)N)c2ccccc2 1P001X53 [0,1,0,0,0,1|1,0,1]=4 715 B17R2.10205 N[C@@H]([C@@H](c1ccccc1)N)c2ccccc2 1P00I7F8 [0,1,0,0,0,1|1,0,1]=4 716 B17R2.10205 N[C@@H]([C@H](c1ccccc1)O)c2ccccc2 1P002NGL [0,1,0,0,0,1|0,0,2]=4 717 B17R2.10205 N[C@H]([C@@H](c1ccccc1)N)c2ccccc2 1P00IJ78 [0,1,0,0,0,1|1,0,1]=4 718 B17R2.10205 N[C@H]([C@@H](c1ccccc1)O)c2ccccc2 1P003BXY [0,1,0,0,0,1|0,0,2]=4 719 B17R2.10205 N[C@H]([C@H](c1ccccc1)N)c2ccccc2 1P0032SD [0,1,0,0,0,1|1,0,1]=4 720 B17R2.10205 N[C@H]([C@H](c1ccccc1)O)c2ccccc2 1P003D5G [0,1,0,0,0,1|0,0,2]=4 721 B17R2.10205 O=C(C(=O)c1ccccc1)c2ccccc2 1P00HTL7 [0,1,0,0,0,1|0,0,0]=2 722 B17R2.10205 O=C(C(=O)c1ccccn1)c2ccccn2 1P003FQ3 [0,1,0,0,0,1|2,0,0]=4 723 B17R2.10205 O=C(N(c1ccccn1)C)c2ccccc2 1P00H6M4 [0,1,0,0,0,1|1,0,0]=3 724 B17R2.10205 OC(C(=O)c1ccccc1)c2ccccc2 1P007FC1 [0,1,0,0,0,1|0,0,0]=2 725 B17R2.10205 OC(C(=O)c1ccccc1)c2ccccc2 1P00HFBS [0,1,0,0,0,1|0,0,0]=2 726 B17R2.10205 OC(C(=O)c1ccccn1)c2ccccn2 1P000B18 [0,1,0,0,0,1|2,0,0]=4 727 B17R2.10205 OC(C(c1ccccc1)O)c2ccccc2 1P003RF9 [0,1,0,0,0,1|0,0,2]=4 728 B17R2.10205 ON(C(=O)c1ccccc1)c2ccccc2 1P0030GI [0,1,0,0,0,1|0,0,0]=2 729 B17R2.10205 O[C@@H]([C@@H](c1ccccc1)O)c2ccccc2 1P003CT6 [0,1,0,0,0,1|0,0,2]=4 730 B17R2.10205 O[C@H]([C@@H](c1ccccc1)O)c2ccccc2 1P003RXV [0,1,0,0,0,1|0,0,2]=4 731 B17R2.10205 O[C@H]([C@H](c1ccccc1)O)c2ccccc2 1P002N55 [0,1,0,0,0,1|0,0,2]=4 732 B17R2.10205 S=C(C(=S)c1ccccc1)c2ccccc2 1P003ORJ [0,1,0,0,0,1|0,1,0]=3 733 B17R2.20249 C[N+](c1ccccc1)(Cc2ccccc2)C 1P003OLJ [0,1,0,0,0,1|2,0,0]=4 734 B17R2.20249 O=S(=O)(c1ccccc1)Cc2ccccc2 1P0032MO [0,1,0,0,0,1|1,0,0]=3 735 B17R2.20249 O=S(=O)(c1ccccc1)Nc2ccccc2 1P001Y2I [0,1,0,0,0,1|1,0,0]=3 736 B17R2.20249 O=S(=O)(c1ccccc1)Nc2ccncc2 1P00AKZJ [0,1,0,0,0,1|2,0,0]=4 737 B17R2.20249 O=S(=O)(c1ccccc1)Sc2ccccc2 1P003UVK [0,1,0,0,0,1|1,0,0]=3 738 B17R2.68 BrCc1ccc(cc1)C(=O)c2ccccc2 1P003KNB [0,2,0,0,0,0|0,0,0]=2 739 B17R2.68 C#Cc1ccc(cc1)C(=O)c2ccccc2 1P000Q29 [0,2,0,0,0,0|0,0,0]=2 740 B17R2.68 CCc1ccc(cc1)C(=O)c2cccnc2 1P01AHG9 [0,2,0,0,0,0|1,0,0]=3 741 B17R2.68 COc1ccc(cc1)C(=O)c2ccccc2 1P003M3Y [0,2,0,0,0,0|0,0,0]=2 742 B17R2.68 COc1ccc(cc1)C(=O)c2ccccn2 1P00EFII [0,2,0,0,0,0|1,0,0]=3 743 B17R2.68 COc1ccc(cc1)C(=O)c2ccncc2 1P00B51U [0,2,0,0,0,0|1,0,0]=3 744 B17R2.68 COc1ccc(cc1)C(c2ccccc2)C 1P002RZE [0,2,0,0,0,0|1,0,1]=4 745 B17R2.68 COc1ccc(cc1)C(c2ccccc2)N 1P00BE2S [0,2,0,0,0,0|1,0,1]=4 746 B17R2.68 COc1ccc(cc1)C(c2ccccc2)N 1P01B5F2 [0,2,0,0,0,0|1,0,1]=4 747 B17R2.68 COc1ccc(cc1)C(c2ccccc2)O 1P003M3W [0,2,0,0,0,0|0,0,2]=4 748 B17R2.68 ClCc1ccc(cc1)C(=O)c2ccccc2 1P00C9N3 [0,2,0,0,0,0|0,0,0]=2 749 B17R2.68 N#Cc1ccc(cc1)C(=O)c2ccccc2 1P001MYC [0,2,0,0,0,0|0,0,0]=2 750 B17R2.68 NCc1ccc(cc1)C(=O)c2ccccc2 1P003L99 [0,2,0,0,0,0|0,0,0]=2 751 B17R2.68 O=Cc1ccc(cc1)C(=O)c2ccccc2 1P002KJ1 [0,2,0,0,0,0|0,0,0]=2 752 B17R2.68 O=Cc1ccc(cc1)N(c2ccccc2)C 1P00DGWJ [0,2,0,0,0,0|2,0,0]=4 753 B17R2.68 OCc1ccc(cc1)C(=O)c2ccccc2 1P0052SS [0,2,0,0,0,0|0,0,0]=2 754 B17R2.68 OCc1ccc(cc1)N(c2ccccc2)C 1P01A8BA [0,2,0,0,0,0|2,0,0]=4 755 B17R2.191 Brc1ccc(cc1)C(=O)c2ccnc(c2)Cl 1P01DU3T [0,2,0,0,0,0|1,0,0]=3 756 B17R2.191 Cc1ccc(cc1)C(=O)c2cccc(c2)Br 1P000727 [0,2,0,0,0,0|0,0,0]=2 757 B17R2.191 Cc1ccc(cc1)C(=O)c2cccc(n2)C 1P01FDSC [0,2,0,0,0,0|1,0,0]=3 758 B17R2.191 Cc1ccc(cc1)C(=O)c2ccnc(c2)C 1P01FDTY [0,2,0,0,0,0|1,0,0]=3 759 B17R2.191 Cc1ccc(cc1)C(=O)c2cncc(c2)Br 1P00CNXY [0,2,0,0,0,0|1,0,0]=3 760 B17R2.191 Cc1ccc(cc1)C(=O)c2nccc(c2)C 1P01FDV4 [0,2,0,0,0,0|1,0,0]=3 761 B17R2.191 Cc1ccc(cc1)C(c2cccc(c2)Cl)N 1P01DX2O [0,2,0,0,0,0|1,0,1]=4 762 B17R2.191 Cc1ccc(cn1)C(=O)c2cccc(c2)C 1P028OB5 [0,2,0,0,0,0|1,0,0]=3 763 B17R2.191 Cc1ccc(nc1)C(=O)c2cccc(c2)C 1P01FDV2 [0,2,0,0,0,0|1,0,0]=3 764 B17R2.191 Cc1ccc(nc1)C(=O)c2cccc(c2)C 1P028LQX [0,2,0,0,0,0|1,0,0]=3 765 B17R2.191 Clc1ccc(cc1)C(=O)c2cccc(c2)C 1P00C7XL [0,2,0,0,0,0|0,0,0]=2 766 B17R2.191 Clc1ccc(cc1)C(=O)c2cccc(c2)Cl 1P0057X8 [0,2,0,0,0,0|0,0,0]=2 767 B17R2.191 Clc1ccc(cc1)C(=O)c2ccnc(c2)Cl 1P01DI6H [0,2,0,0,0,0|1,0,0]=3 768 B17R2.191 Clc1ccc(cc1)C(c2cccc(c2)C)N 1P01EJV1 [0,2,0,0,0,0|1,0,1]=4 769 B17R2.191 Clc1ccc(cc1)C(c2cccc(c2)Cl)N 1P01DX2N [0,2,0,0,0,0|1,0,1]=4 770 B17R2.191 Clc1ccc(cc1)C(c2cccc(c2)F)N 1P01EJUU [0,2,0,0,0,0|1,0,1]=4 771 B17R2.191 Clc1ccc(cc1)C(c2cccc(c2)I)N 1P01FJ3L [0,2,0,0,0,0|1,0,1]=4 772 B17R2.191 Fc1ccc(cc1)C(=O)c2cccc(c2)F 1P00C8WC [0,2,0,0,0,0|0,0,0]=2 773 B17R2.191 Fc1ccc(cc1)C(c2cccc(c2)Cl)N 1P01DXLS [0,2,0,0,0,0|1,0,1]=4 774 B17R2.191 Ic1ccc(cc1)C(=O)c2cccc(c2)Cl 1P00458F [0,2,0,0,0,0|0,0,0]=2 775 B17R2.203 Brc1ccc(cc1)S(=O)(=O)c2ccccc2 1P002MF1 [0,2,0,0,0,0|1,0,0]=3 776 B17R2.203 Cc1ccc(cc1)S(=O)(=O)c2ccccc2 1P00EA6I [0,2,0,0,0,0|1,0,0]=3 777 B17R2.203 Clc1ccc(cc1)C(c2ccccc2)(O)C 1P00IB2G [0,2,0,0,0,0|0,0,2]=4 778 B17R2.203 Clc1ccc(cc1)S(=O)(=O)c2ccccc2 1P003LOM [0,2,0,0,0,0|1,0,0]=3 779 B17R2.203 Nc1ccc(cc1)C(c2ccccc2)(C)C 1P001H6P [0,2,0,0,0,0|1,0,1]=4 780 B17R2.203 Nc1ccc(cc1)S(=O)(=O)c2ccccc2 1P003ADG [0,2,0,0,0,0|1,0,0]=3 781 B17R2.203 Oc1ccc(cc1)C(c2ccccc2)(C)C 1P0034H8 [0,2,0,0,0,0|1,0,1]=4 782 B17R2.203 Oc1ccc(cc1)S(=O)(=O)c2ccccc2 1P00374Q [0,2,0,0,0,0|1,0,0]=3 783 B17R2.217 BrC(c1ccc(cc1)F)c2ccc(cc2)F 1P00I7A8 [0,2,0,0,0,0|1,0,1]=4 784 B17R2.217 Brc1ccc(cc1)P(=O)c2ccc(cc2)Br 1P0220IO [0,2,0,0,0,0|1,0,0]=3 785 B17R2.217 Brc1ccc(cn1)C(=O)c2ccc(nc2)Br 1P01X07I [0,2,0,0,0,0|2,0,0]=4 786 B17R2.217 C=C(c1ccc(cc1)C)c2ccc(cc2)C 1P00BDRR [0,2,0,0,0,0|1,0,0]=3 787 B17R2.217 CC(c1ccc(cc1)O)c2ccc(cc2)O 1P002JYM [0,2,0,0,0,0|1,0,1]=4 788 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(cc2)Cl 1P00DES6 [0,2,0,0,0,0|0,0,0]=2 789 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(cc2)F 1P006UA7 [0,2,0,0,0,0|0,0,0]=2 790 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(cc2)O 1P003LZ0 [0,2,0,0,0,0|0,0,0]=2 791 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(cn2)C 1P01FDTR [0,2,0,0,0,0|1,0,0]=3 792 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(nc2)C 1P01FDUI [0,2,0,0,0,0|1,0,0]=3 793 B17R2.217 Cc1ccc(cc1)C(=O)c2ccc(nc2)Cl 1P01DKX6 [0,2,0,0,0,0|1,0,0]=3 794 B17R2.217 Cc1ccc(cc1)C(c2ccc(cc2)Cl)N 1P01DXNM [0,2,0,0,0,0|1,0,1]=4 795 B17R2.217 Cc1ccc(cc1)C(c2ccc(cc2)F)O 1P00C11R [0,2,0,0,0,0|0,0,2]=4 796 B17R2.217 Cc1ccc(cc1)P(=O)c2ccc(cc2)C 1P003OSN [0,2,0,0,0,0|1,0,0]=3 797 B17R2.217 Cc1ccc(cc1)S(=O)c2ccc(cc2)C 1P0025RI [0,2,0,0,0,0|1,0,0]=3 798 B17R2.217 ClC(c1ccc(cc1)Cl)c2ccc(cc2)Cl 1P005DH5 [0,2,0,0,0,0|1,0,1]=4 799 B17R2.217 ClC(c1ccc(cc1)F)c2ccc(cc2)F 1P003KW0 [0,2,0,0,0,0|1,0,1]=4 800 B17R2.217 ClP(c1ccc(cc1)F)c2ccc(cc2)F 1P002MFL [0,2,0,0,0,0|2,0,0]=4 801 B17R2.217 Clc1ccc(cc1)C(=O)c2ccc(cc2)Br 1P0037W9 [0,2,0,0,0,0|0,0,0]=2 802 B17R2.217 Clc1ccc(cc1)C(=O)c2ccc(nc2)Cl 1P01DI6I [0,2,0,0,0,0|1,0,0]=3 803 B17R2.217 Clc1ccc(cc1)C(c2ccc(cc2)Br)O 1P01DJSX [0,2,0,0,0,0|0,0,2]=4 804 B17R2.217 Clc1ccc(cc1)C(c2ccc(cc2)I)N 1P01FJ3M [0,2,0,0,0,0|1,0,1]=4 805 B17R2.217 Clc1ccc(cc1)P(=O)c2ccc(cc2)Cl 1P0220IP [0,2,0,0,0,0|1,0,0]=3 806 B17R2.217 Clc1ccc(cc1)S(=O)c2ccc(cc2)Cl 1P0031YU [0,2,0,0,0,0|1,0,0]=3 807 B17R2.217 Fc1ccc(cc1)C(=O)c2ccc(cc2)Br 1P002J7X [0,2,0,0,0,0|0,0,0]=2 808 B17R2.217 Fc1ccc(cc1)C(=O)c2ccc(cc2)Cl 1P002J7W [0,2,0,0,0,0|0,0,0]=2 809 B17R2.217 Fc1ccc(cc1)C(c2ccc(cc2)Br)Cl 1P01EMAH [0,2,0,0,0,0|1,0,1]=4 810 B17R2.217 Fc1ccc(cc1)C(c2ccc(cc2)Cl)Cl 1P01EMBE [0,2,0,0,0,0|1,0,1]=4 811 B17R2.217 Fc1ccc(cc1)C(c2ccc(cc2)Cl)N 1P01DXLT [0,2,0,0,0,0|1,0,1]=4 812 B17R2.217 Fc1ccc(cc1)C(c2ccc(cc2)Cl)O 1P00BIWU [0,2,0,0,0,0|0,0,2]=4 813 B17R2.217 Fc1ccc(cc1)P(=O)c2ccc(cc2)F 1P005UIX [0,2,0,0,0,0|1,0,0]=3 814 B17R2.217 Fc1ccc(cc1)S(=O)c2ccc(cc2)F 1P00791F [0,2,0,0,0,0|1,0,0]=3 815 B17R2.217 Ic1ccc(cc1)S(=O)c2ccc(cc2)I 1P01IIOO [0,2,0,0,0,0|1,0,0]=3 816 B17R2.217 NC(c1ccc(cc1)Cl)c2ccc(cc2)Cl 1P00DL1T [0,2,0,0,0,0|1,0,1]=4 817 B17R2.217 NC(c1ccc(cc1)F)c2ccc(cc2)F 1P00DPNP [0,2,0,0,0,0|1,0,1]=4 818 B17R2.217 NC(c1ccc(cc1)F)c2ccc(cc2)F 1P019X4M [0,2,0,0,0,0|1,0,1]=4 819 B17R2.217 Nc1ccc(cc1)C(=O)c2ccc(cc2)F 1P0002S2 [0,2,0,0,0,0|0,0,0]=2 820 B17R2.217 Nc1ccc(cc1)C(=O)c2ccc(cc2)I 1P028EFK [0,2,0,0,0,0|0,0,0]=2 821 B17R2.217 Nc1ccc(cc1)C(=O)c2ccc(cc2)O 1P00AUVA [0,2,0,0,0,0|0,0,0]=2 822 B17R2.217 Nc1ccc(cc1)N(c2ccc(cc2)Br)C 1P02894U [0,2,0,0,0,0|2,0,0]=4 823 B17R2.217 O=C(c1ccc(cc1)Br)c2ccc(cc2)Br 1P0034BB [0,2,0,0,0,0|0,0,0]=2 824 B17R2.217 O=C(c1ccc(cc1)C)c2ccc(cc2)C 1P003KWP [0,2,0,0,0,0|0,0,0]=2 825 B17R2.217 O=C(c1ccc(cc1)Cl)c2ccc(cc2)Cl 1P003KVN [0,2,0,0,0,0|0,0,0]=2 826 B17R2.217 O=C(c1ccc(cc1)F)c2ccc(cc2)F 1P003KVV [0,2,0,0,0,0|0,0,0]=2 827 B17R2.217 O=C(c1ccc(cc1)I)c2ccc(cc2)I 1P01EKE7 [0,2,0,0,0,0|0,0,0]=2 828 B17R2.217 O=C(c1ccc(cc1)N)c2ccc(cc2)N 1P003KUD [0,2,0,0,0,0|0,0,0]=2 829 B17R2.217 O=C(c1ccc(cc1)O)c2ccc(cc2)O 1P003KW2 [0,2,0,0,0,0|0,0,0]=2 830 B17R2.217 O=C(c1ccc(cc1)O)c2ccc(cc2)O 1P00C43D [0,2,0,0,0,0|0,0,0]=2 831 B17R2.217 OC(c1ccc(cc1)C)c2ccc(cc2)C 1P003KWN [0,2,0,0,0,0|0,0,2]=4 832 B17R2.217 OC(c1ccc(cc1)Cl)c2ccc(cc2)Cl 1P00IGES [0,2,0,0,0,0|0,0,2]=4 833 B17R2.217 OC(c1ccc(cc1)F)c2ccc(cc2)F 1P00I7P4 [0,2,0,0,0,0|0,0,2]=4 834 B17R2.217 Oc1ccc(cc1)C(=O)c2ccc(cc2)Br 1P00DJP5 [0,2,0,0,0,0|0,0,0]=2 835 B17R2.217 Oc1ccc(cc1)C(=O)c2ccc(cc2)Cl 1P003LM3 [0,2,0,0,0,0|0,0,0]=2 836 B17R2.217 Oc1ccc(cc1)C(=O)c2ccc(cc2)F 1P002RHD [0,2,0,0,0,0|0,0,0]=2 837 B17R2.217 Oc1ccc(cc1)C(c2ccc(cc2)Br)N 1P004A2Z [0,2,0,0,0,0|1,0,1]=4 838 B17R2.219 BrC(c1ccc(c(c1)F)F)c2ccccc2 1P019SPC [0,2,0,0,0,0|1,0,1]=4 839 B17R2.219 CC(c1ccc(c(c1)Cl)O)c2ccccc2 1P0053FF [0,2,0,0,0,0|1,0,1]=4 840 B17R2.219 NC(c1ccc(c(c1)C)C)c2ccccc2 1P019LNH [0,2,0,0,0,0|1,0,1]=4 841 B17R2.219 NC(c1ccc(c(c1)Cl)Cl)c2ccccc2 1P00FLQ8 [0,2,0,0,0,0|1,0,1]=4 842 B17R2.219 NC(c1ccc(c(c1)Cl)F)c2ccccc2 1P028C44 [0,2,0,0,0,0|1,0,1]=4 843 B17R2.219 NC(c1ccc(c(c1)F)Cl)c2ccccc2 1P01EJV4 [0,2,0,0,0,0|1,0,1]=4 844 B17R2.219 O=C(c1ccc(c(c1)C)C)c2ccccc2 1P00I5DK [0,2,0,0,0,0|0,0,0]=2 845 B17R2.219 O=C(c1ccc(c(c1)C)C)c2ccncc2 1P01DK6S [0,2,0,0,0,0|1,0,0]=3 846 B17R2.219 O=C(c1ccc(c(c1)C)F)c2cccnc2 1P01AB6J [0,2,0,0,0,0|1,0,0]=3 847 B17R2.219 O=C(c1ccc(c(c1)C)O)c2ccccc2 1P00DZ7O [0,2,0,0,0,0|0,0,0]=2 848 B17R2.219 O=C(c1ccc(c(c1)Cl)Cl)c2ccccc2 1P003IWT [0,2,0,0,0,0|0,0,0]=2 849 B17R2.219 O=C(c1ccc(c(c1)Cl)Cl)c2cccnc2 1P01EKC0 [0,2,0,0,0,0|1,0,0]=3 850 B17R2.219 O=C(c1ccc(c(c1)F)F)c2ccccc2 1P003IXO [0,2,0,0,0,0|0,0,0]=2 851 B17R2.219 O=C(c1ccc(c(c1)F)F)c2cccnc2 1P01AAWT [0,2,0,0,0,0|1,0,0]=3 852 B17R2.219 O=C(c1ccc(c(c1)N)N)c2ccccc2 1P003C6Z [0,2,0,0,0,0|0,0,0]=2 853 B17R2.219 O=C(c1ccc(c(c1)N)N)c2ccccc2 1P00E9WI [0,2,0,0,0,0|0,0,0]=2 854 B17R2.219 O=C(c1ccc(c(c1)O)O)c2ccccc2 1P003IYC [0,2,0,0,0,0|0,0,0]=2 855 B17R2.219 OC(c1ccc(c(c1)Br)Cl)c2ccccc2 1P01C7LH [0,2,0,0,0,0|0,0,2]=4 856 B17R2.219 OC(c1ccc(c(c1)Cl)F)c2ccccc2 1P00IDTM [0,2,0,0,0,0|0,0,2]=4 857 B17R2.291 BrCC(c1ccccc1)c2ccc(cc2)Cl 1P00GSCA [0,2,0,0,0,0|1,0,1]=4 858 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)F 1P00IFMI [0,2,0,0,0,0|1,0,1]=4 859 B17R2.291 CNC(c1ccccc1)c2ccc(cc2)F 1P028XWM [0,2,0,0,0,0|1,0,1]=4 860 B17R2.291 N#CC(c1ccccc1)c2ccc(cc2)Br 1P00I6YG [0,2,0,0,0,0|1,0,1]=4 861 B17R2.291 N#CC(c1ccccc1)c2ccc(cc2)C 1P005UR3 [0,2,0,0,0,0|1,0,1]=4 862 B17R2.291 N#CC(c1ccccc1)c2ccc(cc2)Cl 1P00JI2F [0,2,0,0,0,0|1,0,1]=4 863 B17R2.291 N#CC(c1ccccc1)c2ccc(cc2)N 1P00FJCL [0,2,0,0,0,0|1,0,1]=4 864 B17R2.291 NCC(c1ccccc1)c2ccc(cc2)C 1P00FB33 [0,2,0,0,0,0|1,0,1]=4 865 B17R2.291 NCC(c1ccccc1)c2ccc(cc2)Cl 1P00BDGA [0,2,0,0,0,0|1,0,1]=4 866 B17R2.291 O=CC(c1ccccc1)c2ccc(cc2)F 1P01BHM9 [0,2,0,0,0,0|0,0,1]=3 867 B17R2.381 Brc1ccc(cc1)C(=O)c2ccccc2F 1P01A5GO [0,2,0,0,0,0|0,0,0]=2 868 B17R2.381 Brc1ccc(cc1)C(=O)c2ccccc2N 1P000AQM [0,2,0,0,0,0|0,0,0]=2 869 B17R2.381 Cc1ccc(cc1)C(=O)c2ccccc2Cl 1P00EEYU [0,2,0,0,0,0|0,0,0]=2 870 B17R2.381 Cc1ccc(cc1)C(=O)c2ccccc2N 1P00BYP2 [0,2,0,0,0,0|0,0,0]=2 871 B17R2.381 Cc1ccc(cc1)C(=O)c2cccnc2Cl 1P01DHRP [0,2,0,0,0,0|1,0,0]=3 872 B17R2.381 Cc1ccc(cc1)C(c2ccccc2Cl)N 1P01AKF3 [0,2,0,0,0,0|1,0,1]=4 873 B17R2.381 Clc1ccc(cc1)C(=O)c2ccccc2Br 1P005SI4 [0,2,0,0,0,0|0,0,0]=2 874 B17R2.381 Clc1ccc(cc1)C(=O)c2ccccc2C 1P0073TH [0,2,0,0,0,0|0,0,0]=2 875 B17R2.381 Clc1ccc(cc1)C(=O)c2ccccc2Cl 1P0032PW [0,2,0,0,0,0|0,0,0]=2 876 B17R2.381 Clc1ccc(cc1)C(=O)c2ccccc2F 1P01EKBZ [0,2,0,0,0,0|0,0,0]=2 877 B17R2.381 Clc1ccc(cc1)C(=O)c2ccccc2I 1P003WNV [0,2,0,0,0,0|0,0,0]=2 878 B17R2.381 Clc1ccc(cc1)C(=O)c2ccccc2N 1P002XM2 [0,2,0,0,0,0|0,0,0]=2 879 B17R2.381 Clc1ccc(cc1)C(c2ccccc2C)N 1P01EJUZ [0,2,0,0,0,0|1,0,1]=4 880 B17R2.381 Clc1ccc(cc1)C(c2ccccc2Cl)N 1P01AKTA [0,2,0,0,0,0|1,0,1]=4 881 B17R2.381 Clc1ccc(cc1)C(c2ccccc2Cl)O 1P006ZS0 [0,2,0,0,0,0|0,0,2]=4 882 B17R2.381 Clc1ccc(cc1)C(c2ccccc2F)N 1P01DXLX [0,2,0,0,0,0|1,0,1]=4 883 B17R2.381 Clc1ccc(cc1)C(c2ccccc2I)N 1P01FJ3N [0,2,0,0,0,0|1,0,1]=4 884 B17R2.381 Fc1ccc(cc1)C(=O)c2ccccc2Br 1P00EFBI [0,2,0,0,0,0|0,0,0]=2 885 B17R2.381 Fc1ccc(cc1)C(=O)c2ccccc2Cl 1P0022M1 [0,2,0,0,0,0|0,0,0]=2 886 B17R2.381 Fc1ccc(cc1)C(=O)c2ccccc2F 1P003G97 [0,2,0,0,0,0|0,0,0]=2 887 B17R2.381 Fc1ccc(cc1)C(=O)c2ccccc2N 1P003GVX [0,2,0,0,0,0|0,0,0]=2 888 B17R2.381 Fc1ccc(cc1)C(=O)c2cccnc2Br 1P021FFU [0,2,0,0,0,0|1,0,0]=3 889 B17R2.381 Fc1ccc(cc1)C(=O)c2cccnc2N 1P01BAD3 [0,2,0,0,0,0|1,0,0]=3 890 B17R2.381 Fc1ccc(cc1)C(=O)c2ncccc2N 1P01B6US [0,2,0,0,0,0|1,0,0]=3 891 B17R2.381 Fc1ccc(cc1)C(c2ccccc2Cl)N 1P019VLU [0,2,0,0,0,0|1,0,1]=4 892 B17R2.381 Fc1ccc(cc1)C(c2ccccc2I)N 1P01A8RY [0,2,0,0,0,0|1,0,1]=4 893 B17R2.381 Nc1ccc(cc1)C(=O)c2ccccc2F 1P0002S3 [0,2,0,0,0,0|0,0,0]=2 894 B17R2.381 Oc1ccc(cc1)C(=O)c2ccccc2O 1P003G9V [0,2,0,0,0,0|0,0,0]=2 895 B17R2.5362 Brc1ccc(c(c1)F)C(=O)c2ccccc2 1P00FGL4 [0,2,0,0,0,0|0,0,0]=2 896 B17R2.5362 Brc1ccc(c(c1)F)C(c2ccccc2)N 1P019WAZ [0,2,0,0,0,0|1,0,1]=4 897 B17R2.5362 Cc1ccc(c(c1)C)C(=O)c2ccccc2 1P000AQO [0,2,0,0,0,0|0,0,0]=2 898 B17R2.5362 Cc1ccc(c(c1)C)C(c2ccccc2)N 1P01EJVL [0,2,0,0,0,0|1,0,1]=4 899 B17R2.5362 Cc1ccc(c(c1)C)C(c2ccccc2)O 1P01EXBG [0,2,0,0,0,0|0,0,2]=4 900 B17R2.5362 Cc1ccc(c(c1)C)[C@@H](c2ccccc2)N 1P01DZ7R [0,2,0,0,0,0|1,0,1]=4 901 B17R2.5362 Cc1ccc(c(c1)C)[C@H](c2ccccc2)N 1P021NQJ [0,2,0,0,0,0|1,0,1]=4 902 B17R2.5362 Cc1ccc(c(c1)O)C(=O)c2ccccc2 1P0032AA [0,2,0,0,0,0|0,0,0]=2 903 B17R2.5362 Clc1ccc(c(c1)Cl)C(=O)c2ccccc2 1P002BRV [0,2,0,0,0,0|0,0,0]=2 904 B17R2.5362 Clc1ccc(c(c1)Cl)C(=O)c2cccnc2 1P01AI2K [0,2,0,0,0,0|1,0,0]=3 905 B17R2.5362 Clc1ccc(c(c1)Cl)C(c2ccccc2)N 1P01EJUP [0,2,0,0,0,0|1,0,1]=4 906 B17R2.5362 Clc1ccc(c(c1)Cl)C(c2ccccc2)O 1P019TP3 [0,2,0,0,0,0|0,0,2]=4 907 B17R2.5362 Clc1ccc(c(c1)F)C(c2ccccc2)N 1P01RCZ0 [0,2,0,0,0,0|1,0,1]=4 908 B17R2.5362 Clc1ccc(c(c1)N)C(=O)c2ccccc2 1P0075R9 [0,2,0,0,0,0|0,0,0]=2 909 B17R2.5362 Clc1ccc(c(c1)O)C(=O)c2ccccc2 1P019Y61 [0,2,0,0,0,0|0,0,0]=2 910 B17R2.5362 Fc1ccc(c(c1)F)C(=O)c2ccccc2 1P0033G1 [0,2,0,0,0,0|0,0,0]=2 911 B17R2.5362 Fc1ccc(c(c1)F)C(=O)c2cccnc2 1P007NWN [0,2,0,0,0,0|1,0,0]=3 912 B17R2.5362 Fc1ccc(c(n1)F)C(=O)c2ccccc2 1P01KLTG [0,2,0,0,0,0|1,0,0]=3 913 B17R2.5362 Oc1ccc(c(c1)O)C(=O)c2ccccc2 1P0038M4 [0,2,0,0,0,0|0,0,0]=2 914 B17R2.5362 Oc1ccc(c(c1)O)C(c2ccccc2)C 1P004MAW [0,2,0,0,0,0|1,0,1]=4 915 B17R2.159 BrCCC(c1ccccc1)c2ccccc2 1P002D27 [0,2,0,0,0,0|1,0,1]=4 916 B17R2.159 BrCC[S+](c1ccccc1)c2ccccc2 1P00C3PG [0,2,0,0,0,0|2,0,0]=4 917 B17R2.159 BrCC[S+](c1ccccc1)c2ccccc2 1P00I575 [0,2,0,0,0,0|2,0,0]=4 918 B17R2.159 C=CCP(c1ccccc1)c2ccccc2 1P003O74 [0,2,0,0,0,0|2,0,0]=4 919 B17R2.159 CCC=C(c1ccccc1)c2ccccc2 1P00AD9Z [0,2,0,0,0,0|1,0,0]=3 920 B17R2.159 CCCP(c1ccccc1)c2ccccc2 1P003Q6Q [0,2,0,0,0,0|2,0,0]=4 921 B17R2.159 CCNC(c1ccccc1)c2ccccc2 1P00VUPF [0,2,0,0,0,0|1,0,1]=4 922 B17R2.159 CCNC(c1ccccc1)c2ccccc2 1P019WB0 [0,2,0,0,0,0|1,0,1]=4 923 B17R2.159 CCOP(c1ccccc1)c2ccccc2 1P003QVL [0,2,0,0,0,0|1,0,1]=4 924 B17R2.159 N#CC=C(c1ccccc1)c2ccccc2 1P00CAVF [0,2,0,0,0,0|1,0,0]=3 925 B17R2.159 N#CCC(c1ccccc1)c2ccccc2 1P003IUI [0,2,0,0,0,0|1,0,1]=4 926 B17R2.159 NCCC(c1ccccc1)c2ccccc2 1P0033YG [0,2,0,0,0,0|1,0,1]=4 927 B17R2.159 NCCP(c1ccccc1)c2ccccc2 1P003FII [0,2,0,0,0,0|2,0,0]=4 928 B17R2.159 NCCP(c1ccccc1)c2ccccc2 1P003PU6 [0,2,0,0,0,0|2,0,0]=4 929 B17R2.159 O=C=NC(c1ccccc1)c2ccccc2 1P00318K [0,2,0,0,0,0|0,0,1]=3 930 B17R2.159 OCCC(c1ccccc1)c2ccccc2 1P002D28 [0,2,0,0,0,0|0,0,2]=4 931 B17R2.159 OCCP(c1ccccc1)c2ccccc2 1P01V8R5 [0,2,0,0,0,0|1,0,1]=4 932 B17R2.159 [C-]#[N+]CC(c1ccccc1)c2ccccc2 1P00C132 [0,2,0,0,0,0|1,0,1]=4 933 B17R2.159 [NH3+]CCP(c1ccccc1)c2ccccc2 1P0017GW [0,2,0,0,0,0|2,0,0]=4 934 B17R2.2712 C#CC(c1ccccc1)(c2ccccc2)O 1P00BZBP [0,2,0,0,0,0|0,0,2]=4 935 B17R2.2712 C#CP(=O)(c1ccccc1)c2ccccc2 1P01ENA9 [0,2,0,0,0,0|1,0,0]=3 936 B17R2.2712 C=CP(=O)(c1ccccc1)c2ccccc2 1P002KSB [0,2,0,0,0,0|1,0,0]=3 937 B17R2.2712 CCP(=O)(c1ccccc1)c2ccccc2 1P001Z82 [0,2,0,0,0,0|1,0,0]=3 938 B17R2.2712 COP(=O)(c1ccccc1)c2ccccc2 1P00B4RP [0,2,0,0,0,0|1,0,0]=3 939 B17R2.2712 N#CC(c1ccccc1)(c2ccccc2)C 1P003FSU [0,2,0,0,0,0|1,0,1]=4 940 B17R2.2712 NCC(c1ccccc1)(c2ccccc2)C 1P003FSV [0,2,0,0,0,0|1,0,1]=4 941 B17R2.2712 NCC(c1ccccc1)(c2ccccc2)O 1P00DMLN [0,2,0,0,0,0|0,0,2]=4 942 B17R2.2712 NNP(=S)(c1ccccc1)c2ccccc2 1P00D77S [0,2,0,0,0,0|1,1,0]=4 943 B17R2.2712 NOP(=O)(c1ccccc1)c2ccccc2 1P0035VW [0,2,0,0,0,0|1,0,0]=3 944 B17R2.2712 OCP(=O)(c1ccccc1)c2ccccc2 1P004AWQ [0,2,0,0,0,0|1,0,0]=3 945 B17R2.5711 CC(=C(c1ccccc1)c2ccccc2)Br 1P005P0G [0,2,0,0,0,0|1,0,0]=3 946 B17R2.5711 CC(=O)C(c1ccccc1)c2ccccc2 1P003DPP [0,2,0,0,0,0|0,0,1]=3 947 B17R2.5711 CC(=O)N(c1ccccc1)c2ccccc2 1P003T2J [0,2,0,0,0,0|1,0,0]=3 948 B17R2.5711 CC(C(c1ccccc1)c2ccccc2)N 1P019N4J [0,2,0,0,0,0|1,0,1]=4 949 B17R2.5711 CC(P(c1ccccc1)c2ccccc2)C 1P003RLZ [0,2,0,0,0,0|2,0,0]=4 950 B17R2.5711 C[C@@H](C(c1ccccc1)c2ccccc2)N 1P003CV7 [0,2,0,0,0,0|1,0,1]=4 951 B17R2.5711 C[C@H](C(c1ccccc1)c2ccccc2)N 1P003CL7 [0,2,0,0,0,0|1,0,1]=4 952 B17R2.5711 ClC(=O)C(c1ccccc1)c2ccccc2 1P003Q61 [0,2,0,0,0,0|0,0,1]=3 953 B17R2.5711 ClC(=O)N(c1ccccc1)c2ccccc2 1P003Q65 [0,2,0,0,0,0|1,0,0]=3 954 B17R2.5711 NC(=O)C(c1ccccn1)c2ccccc2 1P003IBL [0,2,0,0,0,0|1,0,1]=4 955 B17R2.5711 NC(=S)N(c1ccccc1)c2ccccc2 1P003DPM [0,2,0,0,0,0|1,1,0]=4 956 B17R2.5711 OC(=O)C(c1ccccc1)c2ccccc2 1P000DYC [0,2,0,0,0,0|0,0,1]=3 957 B17R2.1797 BrCc1cccc(c1)C(=O)c2ccccc2 1P00BEC7 [0,2,0,0,0,0|0,0,0]=2 958 B17R2.1797 CCc1cccc(c1)C(=O)c2ccccc2 1P00345M [0,2,0,0,0,0|0,0,0]=2 959 B17R2.1797 CNc1cccc(c1)C(c2ccccc2)O 1P028K3A [0,2,0,0,0,0|0,0,2]=4 960 B17R2.1797 COc1cccc(c1)C(=O)c2ccccc2 1P00EFM5 [0,2,0,0,0,0|0,0,0]=2 961 B17R2.1797 COc1cccc(c1)C(=O)c2ccccn2 1P00DFAA [0,2,0,0,0,0|1,0,0]=3 962 B17R2.1797 COc1cccc(c1)C(=O)c2cccnc2 1P01ABUC [0,2,0,0,0,0|1,0,0]=3 963 B17R2.1797 COc1cccc(c1)C(c2ccccc2)N 1P003K3X [0,2,0,0,0,0|1,0,1]=4 964 B17R2.1797 COc1cccc(c1)C(c2ccccc2)O 1P00HTJR [0,2,0,0,0,0|0,0,2]=4 965 B17R2.1797 COc1cncc(c1)C(=O)c2ccncc2 1P028O20 [0,2,0,0,0,0|2,0,0]=4 966 B17R2.1797 NCc1cccc(c1)C(=O)c2ccccc2 1P027UQF [0,2,0,0,0,0|0,0,0]=2 967 B17R2.3218 Cc1cc(C)cc(c1)C(=O)c2ccccc2 1P009G2Z [0,2,0,0,0,0|0,0,0]=2 968 B17R2.3218 Cc1cc(C)cc(c1)C(=O)c2cccnc2 1P01ABPA [0,2,0,0,0,0|1,0,0]=3 969 B17R2.3218 Clc1cc(Cl)cc(c1)C(c2ccccc2)N 1P01EJUX [0,2,0,0,0,0|1,0,1]=4 970 B17R2.3218 Fc1cc(Cl)cc(c1)C(c2ccccc2)N 1P01FK76 [0,2,0,0,0,0|1,0,1]=4 971 B17R2.3218 Fc1cc(F)cc(c1)C(=O)c2ccccc2 1P00279B [0,2,0,0,0,0|0,0,0]=2 972 B17R2.5272 Brc1cccc(c1)C(=O)c2cccc(c2)Br 1P002QPI [0,2,0,0,0,0|0,0,0]=2 973 B17R2.5272 Cc1cccc(c1)C(=O)c2cccc(c2)C 1P002W34 [0,2,0,0,0,0|0,0,0]=2 974 B17R2.5272 Cc1cccc(c1)C(=O)c2cccc(c2)F 1P01B9D6 [0,2,0,0,0,0|0,0,0]=2 975 B17R2.5272 Cc1cccc(c1)C(=O)c2cccc(n2)C 1P01FDSO [0,2,0,0,0,0|1,0,0]=3 976 B17R2.5272 Cc1cccc(c1)C(=O)c2ccnc(c2)C 1P01FDUO [0,2,0,0,0,0|1,0,0]=3 977 B17R2.5272 Cc1cccc(c1)C(=O)c2ccnc(c2)C 1P027Z3E [0,2,0,0,0,0|1,0,0]=3 978 B17R2.5272 Cc1cccc(c1)C(=O)c2nccc(c2)C 1P01FDTU [0,2,0,0,0,0|1,0,0]=3 979 B17R2.5272 Cc1cccc(c1)C(c2cccc(c2)C)N 1P019Z9W [0,2,0,0,0,0|1,0,1]=4 980 B17R2.5272 Cc1cccc(c1)C(c2cccc(c2)C)O 1P009EEH [0,2,0,0,0,0|0,0,2]=4 981 B17R2.5272 Cc1cccc(c1)C(c2cccc(c2)Cl)N 1P01DVID [0,2,0,0,0,0|1,0,1]=4 982 B17R2.5272 Clc1cccc(c1)C(=O)c2cccc(c2)Cl 1P0062NQ [0,2,0,0,0,0|0,0,0]=2 983 B17R2.5272 Clc1cccc(c1)C(c2cccc(c2)Cl)N 1P01DWRM [0,2,0,0,0,0|1,0,1]=4 984 B17R2.5272 Clc1cccc(c1)C(c2cccc(c2)Cl)O 1P01EW4D [0,2,0,0,0,0|0,0,2]=4 985 B17R2.5272 Fc1cccc(c1)C(=O)c2cccc(c2)Br 1P005UZP [0,2,0,0,0,0|0,0,0]=2 986 B17R2.5272 Fc1cccc(c1)C(=O)c2cccc(c2)Cl 1P008PRM [0,2,0,0,0,0|0,0,0]=2 987 B17R2.5272 Fc1cccc(c1)C(=O)c2cccc(c2)F 1P003ITK [0,2,0,0,0,0|0,0,0]=2 988 B17R2.5272 Fc1cccc(c1)C(c2cccc(c2)Br)N 1P01A06P [0,2,0,0,0,0|1,0,1]=4 989 B17R2.5272 Fc1cccc(c1)C(c2cccc(c2)Br)O 1P019ZZI [0,2,0,0,0,0|0,0,2]=4 990 B17R2.5272 Fc1cccc(c1)C(c2cccc(c2)Cl)N 1P01A029 [0,2,0,0,0,0|1,0,1]=4 991 B17R2.5272 Fc1cccc(c1)C(c2cccc(c2)Cl)O 1P00HZTM [0,2,0,0,0,0|0,0,2]=4 992 B17R2.5272 Nc1cccc(c1)C(=O)c2cccc(c2)N 1P003ITA [0,2,0,0,0,0|0,0,0]=2 993 B17R2.5288 Nc1cccc(c1)S(=O)(=O)c2ccccc2 1P00C5EI [0,2,0,0,0,0|1,0,0]=3 994 B17R2.5305 NC(c1cccc(c1Cl)Cl)c2ccccc2 1P01EJX4 [0,2,0,0,0,0|1,0,1]=4 995 B17R2.5305 NC(c1cccc(c1F)Cl)c2ccccc2 1P01EJWL [0,2,0,0,0,0|1,0,1]=4 996 B17R2.5305 O=C(c1cccc(c1C)O)c2ccccc2 1P028858 [0,2,0,0,0,0|0,0,0]=2 997 B17R2.5305 O=C(c1cccc(c1N)Br)c2ccccc2 1P005IRM [0,2,0,0,0,0|0,0,0]=2 998 B17R2.5305 O=C(c1cccc(c1N)F)c2ccccc2 1P00AC2U [0,2,0,0,0,0|0,0,0]=2 999 B17R2.5305 O=C(c1ccnc(c1N)Cl)c2ccccc2 1P00BY2M [0,2,0,0,0,0|1,0,0]=3 1000 B17R2.5305 OC(c1cccc(c1Cl)Cl)c2ccccc2 1P019TOY [0,2,0,0,0,0|0,0,2]=4 1001 B17R2.5356 Brc1ccc(c(c1)C(=O)c2ccccc2)F 1P01AKGH [0,2,0,0,0,0|0,0,0]=2 1002 B17R2.5356 Brc1ccc(c(c1)C(=O)c2ccccc2)N 1P00C061 [0,2,0,0,0,0|0,0,0]=2 1003 B17R2.5356 Brc1ccc(c(c1)C(=O)c2ccccc2)O 1P003MXY [0,2,0,0,0,0|0,0,0]=2 1004 B17R2.5356 Brc1ccc(c(c1)C(=O)c2ccccn2)N 1P001P4S [0,2,0,0,0,0|1,0,0]=3 1005 B17R2.5356 Brc1ccc(c(c1)C(c2ccccc2)O)F 1P01ALBO [0,2,0,0,0,0|0,0,2]=4 1006 B17R2.5356 Brc1ccc(c(c1)C(c2ccccc2)O)N 1P01C6VL [0,2,0,0,0,0|0,0,2]=4 1007 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)C 1P0073A7 [0,2,0,0,0,0|0,0,0]=2 1008 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)N 1P0026LO [0,2,0,0,0,0|0,0,0]=2 1009 B17R2.5356 Cc1ccc(c(c1)C(=O)c2ccccc2)O 1P001EYW [0,2,0,0,0,0|0,0,0]=2 1010 B17R2.5356 Cc1ccc(c(c1)C(c2ccccc2)C)N 1P00IL17 [0,2,0,0,0,0|1,0,1]=4 1011 B17R2.5356 Cc1ccc(c(c1)C(c2ccccc2)N)C 1P01AFR1 [0,2,0,0,0,0|1,0,1]=4 1012 B17R2.5356 Cc1ccc(c(c1)C(c2ccccc2)O)N 1P00AQ7E [0,2,0,0,0,0|0,0,2]=4 1013 B17R2.5356 Clc1ccc(c(c1)C(=O)c2ccccc2)Cl 1P001WYT [0,2,0,0,0,0|0,0,0]=2 1014 B17R2.5356 Clc1ccc(c(c1)C(=O)c2ccccc2)N 1P0033KD [0,2,0,0,0,0|0,0,0]=2 1015 B17R2.5356 Clc1ccc(c(c1)C(=O)c2ccccc2)O 1P003N3I [0,2,0,0,0,0|0,0,0]=2 1016 B17R2.5356 Clc1ccc(c(c1)C(c2ccccc2)N)Cl 1P01A791 [0,2,0,0,0,0|1,0,1]=4 1017 B17R2.5356 Clc1ccc(c(c1)C(c2ccccc2)N)F 1P028KTO [0,2,0,0,0,0|1,0,1]=4 1018 B17R2.5356 Clc1ccc(c(c1)C(c2ccccc2)O)Cl 1P019TP4 [0,2,0,0,0,0|0,0,2]=4 1019 B17R2.5356 Clc1ccc(c(c1)C(c2ccccc2)O)N 1P00FJ91 [0,2,0,0,0,0|0,0,2]=4 1020 B17R2.5356 Fc1ccc(c(c1)C(=O)c2ccccc2)F 1P003GF1 [0,2,0,0,0,0|0,0,0]=2 1021 B17R2.5356 Fc1ccc(c(c1)C(=O)c2ccccc2)N 1P00CM21 [0,2,0,0,0,0|0,0,0]=2 1022 B17R2.5356 Fc1ccc(c(c1)C(=O)c2ccccc2)O 1P01BASF [0,2,0,0,0,0|0,0,0]=2 1023 B17R2.5356 Fc1ccc(c(c1)C(=O)c2ccncc2)F 1P01ABJ8 [0,2,0,0,0,0|1,0,0]=3 1024 B17R2.5356 Ic1ccc(c(c1)C(=O)c2ccccc2)N 1P00DNXY [0,2,0,0,0,0|0,0,0]=2 1025 B17R2.5356 Nc1ccc(c(c1)C(=O)c2ccccc2)C 1P00BLIB [0,2,0,0,0,0|0,0,0]=2 1026 B17R2.5356 Nc1ccc(c(c1)C(=O)c2ccccc2)F 1P01BS3S [0,2,0,0,0,0|0,0,0]=2 1027 B17R2.41752 Clc1cccc(c1)C(=O)c2ccccc2Cl 1P005F72 [0,2,0,0,0,0|0,0,0]=2 1028 B17R2.41752 Clc1cccc(c1)C(=O)c2ccccc2I 1P008950 [0,2,0,0,0,0|0,0,0]=2 1029 B17R2.41752 Clc1cccc(c1)C(=O)c2cccnc2N 1P01BCYP [0,2,0,0,0,0|1,0,0]=3 1030 B17R2.41752 Clc1cccc(c1)C(c2ccccc2C)N 1P01DVEP [0,2,0,0,0,0|1,0,1]=4 1031 B17R2.41752 Clc1cccc(c1)C(c2ccccc2Cl)N 1P01DWRL [0,2,0,0,0,0|1,0,1]=4 1032 B17R2.41752 Clc1cccc(c1)C(c2ccccc2Cl)O 1P019TWE [0,2,0,0,0,0|0,0,2]=4 1033 B17R2.41752 Clc1cccc(c1)C(c2ccccc2F)N 1P01E6ZP [0,2,0,0,0,0|1,0,1]=4 1034 B17R2.3434 Clc1cccnc1S(=O)(=O)c2ccccc2 1P005TWD [0,2,0,0,0,0|2,0,0]=4 1035 B17R2.3434 Nc1ccccc1S(=O)(=O)c2ccccc2 1P003BJD [0,2,0,0,0,0|1,0,0]=3 1036 B17R2.1066 COc1ccccc1C(=O)c2ccccn2 1P002M3O [0,2,0,0,0,0|1,0,0]=3 1037 B17R2.1066 COc1ccccc1C(c2ccccc2)N 1P00DJE3 [0,2,0,0,0,0|1,0,1]=4 1038 B17R2.1066 COc1ccccc1C(c2ccccc2)O 1P007O6Z [0,2,0,0,0,0|0,0,2]=4 1039 B17R2.1066 O=Cc1ccccc1C(=O)c2ccccc2 1P001Y2S [0,2,0,0,0,0|0,0,0]=2 1040 B17R2.5268 Cc1cccc(c1C(=O)c2ccccc2)N 1P01BCFW [0,2,0,0,0,0|0,0,0]=2 1041 B17R2.5268 Clc1cccc(c1C(=O)c2ccccc2)Cl 1P006XT1 [0,2,0,0,0,0|0,0,0]=2 1042 B17R2.5268 Clc1ccnc(c1C(=O)c2ccccc2)N 1P00HFVO [0,2,0,0,0,0|1,0,0]=3 1043 B17R2.5268 Fc1cccc(c1C(=O)c2ccccc2)F 1P003GL6 [0,2,0,0,0,0|0,0,0]=2 1044 B17R2.5268 O=c1cc[nH]c(=O)n1C(=O)c2ccccc2 1P002V4B [0,2,0,0,0,0|2,0,0]=4 1045 B17R2.20511 Brc1ccccc1C(=O)c2ccccc2Br 1P002R9P [0,2,0,0,0,0|0,0,0]=2 1046 B17R2.20511 Cc1ccccc1C(=C)c2ccccc2C 1P00C1OM [0,2,0,0,0,0|1,0,0]=3 1047 B17R2.20511 Cc1ccccc1C(c2ccccc2C)N 1P01A7IP [0,2,0,0,0,0|1,0,1]=4 1048 B17R2.20511 Cc1ccccc1C(c2ccccc2C)O 1P01FFVX [0,2,0,0,0,0|0,0,2]=4 1049 B17R2.20511 Cc1ccccc1P(=O)c2ccccc2C 1P01KKLO [0,2,0,0,0,0|1,0,0]=3 1050 B17R2.20511 Cc1ccccc1P(c2ccccc2C)Cl 1P003Q5G [0,2,0,0,0,0|2,0,0]=4 1051 B17R2.20511 Clc1ccccc1C(=O)c2ccccc2Cl 1P003FR6 [0,2,0,0,0,0|0,0,0]=2 1052 B17R2.20511 Clc1ccccc1C(c2ccccc2Cl)O 1P01AI2P [0,2,0,0,0,0|0,0,2]=4 1053 B17R2.20511 Fc1ccccc1C(c2ccccc2F)O 1P01A0HW [0,2,0,0,0,0|0,0,2]=4 1054 B17R2.20511 Nc1ccccc1C(=O)c2ccccc2Cl 1P002XL6 [0,2,0,0,0,0|0,0,0]=2 1055 B17R2.20511 Nc1ccccc1C(=O)c2ccccc2F 1P001QGI [0,2,0,0,0,0|0,0,0]=2 1056 B17R2.20511 Oc1ccccc1C(=O)c2ccccc2O 1P003FRP [0,2,0,0,0,0|0,0,0]=2 1057 B15R2.17 C=Cc1cccc(c1)c2ccccc2 1P003990 [0,0,1,1,0,0|1,0,0]=3 1058 B15R2.17 O=Cc1cccc(c1)c2ccccc2 1P007QEQ [0,0,1,1,0,0|2,0,0]=4 1059 B15R2.17 O=Cc1cccc(n1)c2ccccc2 1P001PWB [0,0,1,1,0,0|2,0,0]=4 1060 B15R2.21 O=Cc1ccccc1c2ccccc2 1P0033LC [0,0,1,1,0,0|2,0,0]=4 1061 B15R3.3 c1ccc2c(c1)Cc3c2cccc3 1P0035E8 [1,0,0,1,0,0|0,0,1]=3 1062 B15R3.3 c1ccc2c(c1)Pc3c2cccc3 1P006V09 [1,0,0,1,0,0|1,0,0]=3 1063 B15R3.3 c1ccc2c(c1)[I+]c3c2cccc3 1P0036N6 [1,0,0,1,0,0|1,0,0]=3 1064 B15R3.3 c1ccc2c(c1)[n-]c3c2cccc3 1P003P5T [1,0,0,1,0,0|1,0,0]=3 1065 B15R3.3 c1ccc2c(c1)[nH]c3c2cccc3 1P00351K [1,0,0,1,0,0|1,0,0]=3 1066 B15R3.3 c1ccc2c(c1)[nH]c3c2cccn3 1P002GS2 [1,0,0,1,0,0|2,0,0]=4 1067 B15R3.3 c1ccc2c(c1)[nH]c3c2ccnc3 1P0034VW [1,0,0,1,0,0|2,0,0]=4 1068 B15R3.3 c1ccc2c(c1)[nH]c3c2cncc3 1P007NK4 [1,0,0,1,0,0|2,0,0]=4 1069 B15R3.3 c1ccc2c(c1)[nH]c3c2nccc3 1P002OT2 [1,0,0,1,0,0|2,0,0]=4 1070 B15R3.3 c1ccc2c(c1)oc3c2cccc3 1P0010I5 [1,0,0,1,0,0|1,0,0]=3 1071 B15R3.3 c1ccc2c(c1)sc3c2cccc3 1P0010I4 [1,0,0,1,0,0|1,0,0]=3 1072 B15R3.173 O=C1c2ccccc2c3c1cn[nH]3 1P00IMGY [0,0,0,1,1,0|2,0,0]=4 1073 B15R3.173 O=C1c2ccccc2c3c1csc3 1P002MJZ [0,0,0,1,1,0|1,0,0]=3 1074 B17R3.1927 C1C(C1c2ccccc2)c3ccccc3 1P003DVJ [0,0,0,1,0,1|1,0,1]=4 1075 B17R3.1927 O1[C@H]([C@@H]1c2ccccc2)c3ccccc3 1P003VG0 [0,0,0,1,0,1|0,0,2]=4 1076 B17R3.8708 c1ccc(cc1)C2=Cc3c(C2)cccc3 1P00DAC5 [0,0,0,1,0,1|1,0,0]=3 1077 B17R3.8708 c1ccc(cc1)C2Cc3c(N2)cccc3 1P002SS3 [0,0,0,1,0,1|1,0,1]=4 1078 B17R3.8708 c1ccc(cc1)N2Sc3c(S2)cccc3 1P01B7AR [0,0,0,1,0,1|1,1,0]=4 1079 B17R3.8708 c1ccc(cc1)c2cc3c([nH]2)cccc3 1P00IJ04 [0,0,0,1,0,1|1,0,0]=3 1080 B17R3.8708 c1ccc(cc1)c2cc3c([nH]2)cccn3 1P00BI18 [0,0,0,1,0,1|2,0,0]=4 1081 B17R3.8708 c1ccc(cc1)c2cc3c([nH]2)nccc3 1P007F9I [0,0,0,1,0,1|2,0,0]=4 1082 B17R3.8708 c1ccc(cc1)c2cc3c(o2)cccc3 1P003IBX [0,0,0,1,0,1|0,0,1]=3 1083 B17R3.8708 c1ccc(cc1)c2cc3c(o2)cccn3 1P00AN43 [0,0,0,1,0,1|1,0,1]=4 1084 B17R3.8708 c1ccc(cc1)c2cc3n(n2)cccc3 1P01GIG1 [0,0,0,1,0,1|2,0,0]=4 1085 B17R3.8708 c1ccc(cc1)c2nc3c([nH]2)cccc3 1P0033W2 [0,0,0,1,0,1|1,0,0]=3 1086 B17R3.8708 c1ccc(cc1)c2nc3c(n2)cc[nH]c3 1P01AGD7 [0,0,0,1,0,1|2,0,0]=4 1087 B17R3.8708 c1ccc(cc1)c2nc3c(o2)cccc3 1P003IBV [0,0,0,1,0,1|0,0,1]=3 1088 B17R3.8708 c1ccc(cc1)c2nc3c(s2)cccc3 1P003IBW [0,0,0,1,0,1|0,1,0]=3 1089 B17R3.8708 c1ccc(cc1)c2nc3c(s2)cncc3 1P00DGS8 [0,0,0,1,0,1|1,1,0]=4 1090 B17R3.8708 c1ccc(cc1)c2nc3n(c2)cccc3 1P003A22 [0,0,0,1,0,1|2,0,0]=4 1091 B17R3.8708 c1ccc(cn1)c2cc3c([nH]2)cccc3 1P007GRD [0,0,0,1,0,1|2,0,0]=4 1092 B17R3.8708 c1ccc(cn1)c2nc3c([nH]2)cccc3 1P0009UM [0,0,0,1,0,1|2,0,0]=4 1093 B17R3.8708 c1ccc(nc1)c2cc3c([nH]2)cccc3 1P0010Y7 [0,0,0,1,0,1|2,0,0]=4 1094 B17R3.8708 c1ccc(nc1)c2cc3c(s2)cccc3 1P003F9B [0,0,0,1,0,1|1,1,0]=4 1095 B17R3.8708 c1ccc(nc1)c2nc3c([nH]2)cccc3 1P0009UL [0,0,0,1,0,1|2,0,0]=4 1096 B17R3.8708 c1ccc(nc1)c2nc3c(o2)cccc3 1P00CACS [0,0,0,1,0,1|1,0,1]=4 1097 B17R3.8708 n1ccc(cc1)c2cc3c([nH]2)cccc3 1P00BD43 [0,0,0,1,0,1|2,0,0]=4 1098 B17R3.8708 n1ccc(cc1)c2cc3c(o2)cccc3 1P00FG0W [0,0,0,1,0,1|1,0,1]=4 1099 B17R3.8708 n1ccc(cc1)c2nc3c([nH]2)cccc3 1P003FE8 [0,0,0,1,0,1|2,0,0]=4 1100 B17R3.8708 n1ccc(cc1)c2nc3c(s2)cccc3 1P002M48 [0,0,0,1,0,1|1,1,0]=4 1101 B17R3.54615 Brc1cc2ccccc2c3c1cccc3 1P003O16 [0,0,0,1,0,1|1,0,0]=3 1102 B17R3.54615 Brc1cc2cccnc2c3c1cccc3 1P0202G9 [0,0,0,1,0,1|2,0,0]=4 1103 B17R3.54615 Brc1nc2ccccc2c3c1cccc3 1P00AO07 [0,0,0,1,0,1|1,0,0]=3 1104 B17R3.54615 Cc1cc2ccccc2c3c1cccc3 1P00GT08 [0,0,0,1,0,1|1,0,0]=3 1105 B17R3.54615 Clc1nc2ccccc2c3c1cccc3 1P001PGT [0,0,0,1,0,1|1,0,0]=3 1106 B17R3.54615 Ic1cc2ccccc2c3c1cccc3 1P0034VY [0,0,0,1,0,1|1,0,0]=3 1107 B17R3.54615 Nc1cc2ccccc2c3c1nccc3 1P028TWQ [0,0,0,1,0,1|2,0,0]=4 1108 B17R3.54615 Nc1nc2ccccc2c3c1cccc3 1P0057XX [0,0,0,1,0,1|1,0,0]=3 1109 B17R3.54615 O=P1Oc2ccccc2c3c1cccc3 1P003O00 [0,0,0,1,0,1|1,0,0]=3 1110 B17R3.54615 O=c1[nH]c2ccccc2c3c1cccc3 1P00053F [0,0,0,1,0,1|0,0,0]=2 1111 B17R3.54615 O=c1oc2ccccc2c3c1cccc3 1P002DAB [0,0,0,1,0,1|0,0,0]=2 1112 B17R3.54615 OB1Nc2ccccc2c3c1cccc3 1P01B9GV [0,0,0,1,0,1|1,0,1]=4 1113 B17R3.54615 Oc1cc2ccccc2c3c1cccc3 1P003U4I [0,0,0,1,0,1|0,0,1]=3 1114 B17R3.31713 Brc1ccc2c(c1)c3ccccc3C2=O 1P00BH1D [0,1,0,1,0,0|0,0,0]=2 1115 B17R3.31713 Brc1ccc2c(c1)c3ccccc3n2C 1P00IHD0 [0,1,0,1,0,0|2,0,0]=4 1116 B17R3.8 c1ccc(cc1)C2CNc3c2cccc3 1P01BEVK [0,1,0,1,0,0|1,0,1]=4 1117 B17R3.8 c1ccc(cc1)c2c[nH]c3c2cccc3 1P001N1R [0,1,0,1,0,0|1,0,0]=3 1118 B17R3.8 c1ccc(cc1)c2cnc3n2cccc3 1P00IHVF [0,1,0,1,0,0|2,0,0]=4 1119 B17R3.8 c1ccc(cc1)c2n[nH]c3c2cccc3 1P000VNZ [0,1,0,1,0,0|1,0,0]=3 1120 B17R3.8 c1ccc(cc1)c2ncc3n2cccc3 1P003KCD [0,1,0,1,0,0|2,0,0]=4 1121 B17R3.8 c1ccc(cc1)n2ccc3c2cccc3 1P001W0R [0,1,0,1,0,0|2,0,0]=4 1122 B17R3.8 c1ccc(cc1)n2cnc3c2cccc3 1P002SSZ [0,1,0,1,0,0|2,0,0]=4 1123 B17R3.8 c1ccc(cc1)n2ncc3c2cccc3 1P00G8HH [0,1,0,1,0,0|2,0,0]=4 1124 B17R3.8 c1ccc(cc1)n2nnc3c2cccc3 1P00IFI1 [0,1,0,1,0,0|2,0,0]=4 1125 B17R3.8 n1ccc(cc1)c2c[nH]c3c2cccc3 1P00FC04 [0,1,0,1,0,0|2,0,0]=4 1126 B17R3.8714 c1ccc(cc1)C2(OC2)c3ccccc3 1P004CSF [0,1,0,1,0,0|0,0,2]=4 1127 B17R3.182920 BrCC1c2ccccc2c3c1cccc3 1P01BHN5 [0,1,0,1,0,0|1,0,1]=4 1128 B17R3.182920 C=Cn1c2ccccc2c3c1cccc3 1P001LCM [0,1,0,1,0,0|2,0,0]=4 1129 B17R3.182920 CCn1c2ccccc2c3c1cccc3 1P003TGT [0,1,0,1,0,0|2,0,0]=4 1130 B17R3.182920 CNC1c2ccccc2c3c1cccc3 1P019U7K [0,1,0,1,0,0|1,0,1]=4 1131 B17R3.182920 N#CC1c2ccccc2c3c1cccc3 1P00B2BM [0,1,0,1,0,0|1,0,1]=4 1132 B17R3.182920 NCC1c2ccccc2c3c1cccc3 1P00CLG8 [0,1,0,1,0,0|1,0,1]=4 1133 B17R3.182920 NN=C1c2ccccc2c3c1cccc3 1P003O1L [0,1,0,1,0,0|1,0,0]=3 1134 B17R3.182920 O=Cn1c2ccccc2c3c1cccc3 1P00D4E5 [0,1,0,1,0,0|1,0,0]=3 1135 B17R3.182920 O=Nn1c2ccccc2c3c1cccc3 1P00BDQZ [0,1,0,1,0,0|1,0,0]=3 1136 B17R3.182920 OCC1c2ccccc2c3c1cccc3 1P0034VT [0,1,0,1,0,0|0,0,2]=4 1137 B17R3.182920 ON=C1c2ccccc2c3c1cccc3 1P003O1M [0,1,0,1,0,0|0,0,1]=3 1138 B17R3.4408 Brc1cccc2c1c3ccccc3C2=O 1P0034EP [0,1,0,1,0,0|0,0,0]=2 1139 B17R3.4408 Oc1cccc2c1c3ccccc3C2=O 1P002C4B [0,1,0,1,0,0|0,0,0]=2 1140 B17R3.31819 Brc1ccc2c(c1)C(=O)c3c2cccc3 1P003285 [0,1,0,1,0,0|0,0,0]=2 1141 B17R3.31819 Cc1ccc2c(c1)C(=O)c3c2cccc3 1P00BJYI [0,1,0,1,0,0|0,0,0]=2 1142 B17R3.31819 Clc1ncc2c(n1)C(=O)c3c2cccc3 1P028UEB [0,1,0,1,0,0|2,0,0]=4 1143 B17R3.31819 Clc1nnc2c(c1)C(=O)c3c2cccc3 1P028LSH [0,1,0,1,0,0|2,0,0]=4 1144 B17R3.31819 Fc1ccc2c(c1)C(=O)c3c2cccc3 1P003HS0 [0,1,0,1,0,0|0,0,0]=2 1145 B17R3.31819 Nc1ccc2c(c1)C(=O)c3c2cccc3 1P00328W [0,1,0,1,0,0|0,0,0]=2 1146 B17R3.31819 O=c1[nH]nc2c(c1)C(=O)c3c2cccc3 1P028L88 [0,1,0,1,0,0|2,0,0]=4 1147 B17R3.31819 Oc1ccc2c(c1)C(=O)c3c2cccc3 1P003HVS [0,1,0,1,0,0|0,0,0]=2 1148 B17R3.221899 CC1(O)c2ccccc2c3c1cccc3 1P00EMHR [0,1,0,1,0,0|0,0,2]=4 1149 B17R3.221899 C[Si]1(C)c2ccccc2c3c1cccc3 1P0012ZR [0,1,0,1,0,0|1,1,0]=4 1150 B17R3.221899 ClC1(Cl)c2ccccc2c3c1cccc3 1P003O0E [0,1,0,1,0,0|1,0,1]=4 1151 B17R3.221899 O=S1(=O)c2ccccc2c3c1cccc3 1P0005F0 [0,1,0,1,0,0|1,0,0]=3 1152 B17R3.35227 Brc1c2ccccc2cc3c1cccc3 1P001P6N [0,1,0,1,0,0|1,0,0]=3 1153 B17R3.35227 Brc1c2ccccc2nc3c1cccc3 1P003O13 [0,1,0,1,0,0|1,0,0]=3 1154 B17R3.35227 CN1c2ccccc2Sc3c1cccc3 1P003EAW [0,1,0,1,0,0|2,0,0]=4 1155 B17R3.35227 C[n+]1c2ccccc2cc3c1cccc3 1P002TRK [0,1,0,1,0,0|2,0,0]=4 1156 B17R3.35227 C[n+]1c2ccccc2nc3c1cccc3 1P007KHH [0,1,0,1,0,0|2,0,0]=4 1157 B17R3.35227 Cc1c2ccccc2cc3c1cccc3 1P003O24 [0,1,0,1,0,0|1,0,0]=3 1158 B17R3.35227 Cc1c2ccccc2nc3c1cccc3 1P003O23 [0,1,0,1,0,0|1,0,0]=3 1159 B17R3.35227 Clc1c2ccccc2cc3c1cccc3 1P003O18 [0,1,0,1,0,0|1,0,0]=3 1160 B17R3.35227 Clc1c2ccccc2nc3c1cccc3 1P003O17 [0,1,0,1,0,0|1,0,0]=3 1161 B17R3.35227 Ic1c2ccccc2cc3c1cccc3 1P007P5L [0,1,0,1,0,0|1,0,0]=3 1162 B17R3.35227 NC1c2ccccc2Cc3c1cccc3 1P027Z8P [0,1,0,1,0,0|1,0,1]=4 1163 B17R3.35227 NC1c2ccccc2Oc3c1cccc3 1P003O1W [0,1,0,1,0,0|1,0,1]=4 1164 B17R3.35227 NC1c2ccccc2Oc3c1cccc3 1P01A9QF [0,1,0,1,0,0|1,0,1]=4 1165 B17R3.35227 Nc1c2ccccc2cc3c1cccc3 1P002KUQ [0,1,0,1,0,0|1,0,0]=3 1166 B17R3.35227 Nc1c2ccccc2cc3c1cccc3 1P00G9VJ [0,1,0,1,0,0|1,0,0]=3 1167 B17R3.35227 Nc1c2ccccc2nc3c1cccc3 1P003O0N [0,1,0,1,0,0|1,0,0]=3 1168 B17R3.35227 Nc1c2ccccc2nc3c1cccc3 1P009B59 [0,1,0,1,0,0|1,0,0]=3 1169 B17R3.35227 Nc1c2ccccc2nc3c1cccc3 1P00FARQ [0,1,0,1,0,0|1,0,0]=3 1170 B17R3.35227 Nc1c2ccccc2nc3c1cccc3 1P00GS1B [0,1,0,1,0,0|1,0,0]=3 1171 B17R3.35227 O=C1c2ccccc2Cc3c1cccc3 1P0034XO [0,1,0,1,0,0|0,0,0]=2 1172 B17R3.35227 O=S1c2ccccc2Nc3c1cccc3 1P007Q3N [0,1,0,1,0,0|1,0,0]=3 1173 B17R3.35227 O=S1c2ccccc2Sc3c1cccc3 1P002ODW [0,1,0,1,0,0|1,0,0]=3 1174 B17R3.35227 O=c1c2ccccc2[nH]c3c1cccc3 1P003NZQ [0,1,0,1,0,0|0,0,0]=2 1175 B17R3.35227 O=c1c2ccccc2[nH]c3c1cncc3 1P003OI6 [0,1,0,1,0,0|1,0,0]=3 1176 B17R3.35227 O=c1c2ccccc2oc3c1cccc3 1P00369E [0,1,0,1,0,0|0,0,0]=2 1177 B17R3.35227 O=c1c2ccccc2oc3c1nccc3 1P003EEX [0,1,0,1,0,0|1,0,0]=3 1178 B17R3.35227 O=c1c2ccccc2sc3c1cccc3 1P003V9H [0,1,0,1,0,0|0,0,0]=2 1179 B17R3.35227 OB1c2ccccc2Oc3c1cccc3 1P01JX63 [0,1,0,1,0,0|1,0,1]=4 1180 B17R3.35227 OC1c2ccccc2Oc3c1cccc3 1P00369G [0,1,0,1,0,0|0,0,2]=4 1181 B17R3.35227 Oc1c2ccccc2cc3c1cccc3 1P00DHMG [0,1,0,1,0,0|0,0,1]=3 1182 B17R3.51174 Brc1cccc2c1C(=O)c3c2cccc3 1P00336Q [0,1,0,1,0,0|0,0,0]=2 1183 B17R3.51174 Fc1cccc2c1C(=O)c3c2cccc3 1P019F3N [0,1,0,1,0,0|0,0,0]=2 1184 B17R3.51174 Nc1cccc2c1C(=O)c3c2cccc3 1P003EEG [0,1,0,1,0,0|0,0,0]=2 1185 B13R2.3 c1c[c-]c(cc1)c2ccccn2 1P0094M9 [1,0,0,0,1,0|1,0,1]=4 1186 B13R2.3 c1cc[n+](cc1)c2ccncc2 1P003DHQ [1,0,0,0,1,0|2,0,0]=4 1187 B13R2.3 c1ccc(cc1)c2ccccc2 1P0039ZL [1,0,0,0,1,0|0,0,0]=2 1188 B13R2.3 c1ccc(cc1)c2ccccn2 1P0003DX [1,0,0,0,1,0|1,0,0]=3 1189 B13R2.3 c1ccc(cc1)c2ccccn2 1P003A3Q [1,0,0,0,1,0|1,0,0]=3 1190 B13R2.3 c1ccc(cc1)c2ccccn2 1P003PUK [1,0,0,0,1,0|1,0,0]=3 1191 B13R2.3 c1ccc(cc1)c2ccccn2 1P00IJ4E [1,0,0,0,1,0|1,0,0]=3 1192 B13R2.3 c1ccc(cc1)c2cccnc2 1P0003DY [1,0,0,0,1,0|1,0,0]=3 1193 B13R2.3 c1ccc(cc1)c2cccnn2 1P00AOYW [1,0,0,0,1,0|2,0,0]=4 1194 B13R2.3 c1ccc(cc1)c2ccncc2 1P0034LN [1,0,0,0,1,0|1,0,0]=3 1195 B13R2.3 c1ccc(cc1)c2ccncn2 1P00BYOS [1,0,0,0,1,0|2,0,0]=4 1196 B13R2.3 c1ccc(cc1)c2cnccn2 1P002YWF [1,0,0,0,1,0|2,0,0]=4 1197 B13R2.3 c1ccc(cc1)c2ncccn2 1P003ICJ [1,0,0,0,1,0|2,0,0]=4 1198 B13R2.3 c1ccc(cn1)c2cccnc2 1P00EBZZ [1,0,0,0,1,0|2,0,0]=4 1199 B13R2.3 c1ccc(nc1)c2ccccn2 1P001LMC [1,0,0,0,1,0|2,0,0]=4 1200 B13R2.3 c1ccc(nc1)c2ccccn2 1P001P64 [1,0,0,0,1,0|2,0,0]=4 1201 B13R2.3 c1ccc(nc1)c2ccccn2 1P001PXA [1,0,0,0,1,0|2,0,0]=4 1202 B13R2.3 c1ccc(nc1)c2ccccn2 1P0033DA [1,0,0,0,1,0|2,0,0]=4 1203 B13R2.3 c1ccc(nc1)c2ccccn2 1P0039J4 [1,0,0,0,1,0|2,0,0]=4 1204 B13R2.3 c1ccc(nc1)c2ccccn2 1P0039N5 [1,0,0,0,1,0|2,0,0]=4 1205 B13R2.3 c1ccc(nc1)c2ccccn2 1P003UF2 [1,0,0,0,1,0|2,0,0]=4 1206 B13R2.3 c1ccc(nc1)c2ccccn2 1P009BVN [1,0,0,0,1,0|2,0,0]=4 1207 B13R2.3 c1ccc(nc1)c2ccccn2 1P00EE30 [1,0,0,0,1,0|2,0,0]=4 1208 B13R2.3 c1ccc(nc1)c2ccccn2 1P01KLC9 [1,0,0,0,1,0|2,0,0]=4 1209 B13R2.3 c1ccc(nc1)c2cccnc2 1P00IASU [1,0,0,0,1,0|2,0,0]=4 1210 B13R2.3 n1ccc(cc1)c2ccccn2 1P003BL4 [1,0,0,0,1,0|2,0,0]=4 1211 B13R2.3 n1ccc(cc1)c2cccnc2 1P01DZ8J [1,0,0,0,1,0|2,0,0]=4 1212 B13R2.3 n1ccc(cc1)c2ccncc2 1P000KTJ [1,0,0,0,1,0|2,0,0]=4 1213 B13R2.3 n1ccc(cc1)c2ccncc2 1P003AR0 [1,0,0,0,1,0|2,0,0]=4 1214 B13R2.64 c1ccc(cc1)Cc2c[nH]cc2 1P01C9FW [1,0,0,0,1,0|1,0,1]=4 1215 B13R2.64 c1ccc(cc1)Cn2cccc2 1P002ABC [1,0,0,0,1,0|1,0,1]=4 1216 B13R2.64 c1ccc(cc1)Oc2cscc2 1P003KBV [1,0,0,0,1,0|2,0,0]=4 1217 B13R2.64 c1ccc(cc1)Sc2cccs2 1P001XNE [1,0,0,0,1,0|2,0,0]=4 1218 B13R2.674 O=C(c1ccc[nH]1)c2ccc[nH]2 1P001Q3P [0,0,0,0,2,0|2,0,0]=4 1219 B13R2.674 O=C(c1ccco1)c2ccco2 1P0027BL [0,0,0,0,2,0|2,0,0]=4 1220 B13R2.674 O=C(c1cccs1)c2cccs2 1P003OPN [0,0,0,0,2,0|2,0,0]=4 1221 B15R2.2195 c1ccc(cc1)C#Cc2ccccc2 1P003Q62 [1,0,0,0,0,1|0,0,1]=3 1222 B15R2.2195 c1ccc(cc1)C#Cc2ccccn2 1P008110 [1,0,0,0,0,1|1,0,1]=4 1223 B15R2.2195 c1ccc(cc1)C#Cc2cccnc2 1P00112Z [1,0,0,0,0,1|1,0,1]=4 1224 B15R2.2195 c1ccc(cc1)C=Cc2ccncc2 1P019LYY [1,0,0,0,0,1|1,0,0]=3 1225 B15R2.2195 c1ccc(cc1)CCc2ccccc2 1P003DVK [1,0,0,0,0,1|0,0,1]=3 1226 B15R2.2195 c1ccc(cc1)CCc2ccccn2 1P00BVLE [1,0,0,0,0,1|1,0,1]=4 1227 B15R2.2195 c1ccc(cc1)CCc2ccncc2 1P006ZBZ [1,0,0,0,0,1|1,0,1]=4 1228 B15R2.2195 c1ccc(cc1)CNc2ccccn2 1P003T98 [1,0,0,0,0,1|1,0,1]=4 1229 B15R2.2195 c1ccc(cc1)CNc2ccncc2 1P009BFK [1,0,0,0,0,1|1,0,1]=4 1230 B15R2.2195 c1ccc(cc1)COc2cccnc2 1P005Y8X [1,0,0,0,0,1|1,0,1]=4 1231 B15R2.2195 c1ccc(cc1)COc2ccncc2 1P006YDW [1,0,0,0,0,1|1,0,1]=4 1232 B15R2.2195 c1ccc(cc1)N=Cc2ccccc2 1P0020K8 [1,0,0,0,0,1|0,0,0]=2 1233 B15R2.2195 c1ccc(cc1)NCc2ccccc2 1P0035SX [1,0,0,0,0,1|0,0,1]=3 1234 B15R2.2195 c1ccc(cc1)NNc2ccccc2 1P0016ZN [1,0,0,0,0,1|1,0,0]=3 1235 B15R2.2195 c1ccc(cc1)NNc2ccccc2 1P02165X [1,0,0,0,0,1|1,0,0]=3 1236 B15R2.2195 c1ccc(cc1)OCc2ccccc2 1P003OL7 [1,0,0,0,0,1|0,0,1]=3 1237 B15R2.2195 c1ccc(cc1)SCc2ccccc2 1P003OL8 [1,0,0,0,0,1|0,0,1]=3 1238 B15R2.2195 c1ccc(cc1)SCc2cccnc2 1P01B6PS [1,0,0,0,0,1|1,0,1]=4 1239 B15R2.2195 c1ccc(cc1)SSc2ccccc2 1P0035XM [1,0,0,0,0,1|1,0,0]=3 1240 B15R2.2195 c1ccc(cc1)[Se][Se]c2ccccc2 1P001XBB [1,0,0,0,0,1|1,0,0]=3 1241 B15R2.2195 c1ccc(cc1)[Te][Te]c2ccccc2 1P003Q5P [1,0,0,0,0,1|1,0,0]=3 1242 B15R2.2195 c1ccc(cc1)\C=C/c2ccccc2 1P003PGV [1,0,0,0,0,1|0,0,0]=2 1243 B15R2.2195 c1ccc(cc1)\C=C\c2ccccc2 1P003VFZ [1,0,0,0,0,1|0,0,0]=2 1244 B15R2.2195 c1ccc(cc1)\C=C\c2ccncc2 1P003MHJ [1,0,0,0,0,1|1,0,0]=3 1245 B15R2.2195 c1ccc(cc1)\C=C\c2ccnnc2 1P027OJQ [1,0,0,0,0,1|2,0,0]=4 1246 B15R2.2195 c1ccc(cc1)\N=C\c2ccccc2 1P00DEA8 [1,0,0,0,0,1|0,0,0]=2 1247 B15R2.2195 c1ccc(cc1)\N=N\c2ccccc2 1P0038TL [1,0,0,0,0,1|1,0,0]=3 1248 B15R2.2195 c1ccc(cn1)\C=C\c2cccnc2 1P024I51 [1,0,0,0,0,1|2,0,0]=4 1249 B15R2.2195 c1ccc(nc1)C=Cc2ccccn2 1P001IO8 [1,0,0,0,0,1|2,0,0]=4 1250 B15R2.2195 n1ccc(cc1)C=Cc2ccncc2 1P008YUF [1,0,0,0,0,1|2,0,0]=4 1251 B15R2.2195 n1ccc(cc1)\C=C\c2ccncc2 1P007NOD [1,0,0,0,0,1|2,0,0]=4 1252 B15R2.64 N=C(c1cccs1)Nc2ccccc2 1P007ADC [0,0,0,0,1,1|2,0,0]=4 1253 B15R2.64 O=C(c1ccco1)Nc2ccccc2 1P00BBYJ [0,0,0,0,1,1|1,0,0]=3 1254 B15R2.64 O=C(c1cccs1)Cc2ccccc2 1P0010FN [0,0,0,0,1,1|1,0,0]=3 1255 B15R2.64 O=C(c1cccs1)Cc2ccncc2 1P01C4B0 [0,0,0,0,1,1|2,0,0]=4 1256 B15R2.64 O=C(c1cnc[nH]1)Nc2ccccc2 1P0010CF [0,0,0,0,1,1|2,0,0]=4 1257 B15R2.64 O=C(c1n[nH]cc1)Nc2ccccc2 1P00HI9N [0,0,0,0,1,1|2,0,0]=4 1258 B17R2.143 BrC(Cc1ccccc1)Cc2ccccc2 1P0088FL [0,0,0,0,0,2|1,0,1]=4 1259 B17R2.143 CN(Cc1ccccc1)Cc2ccccc2 1P0006OW [0,0,0,0,0,2|2,0,0]=4 1260 B17R2.143 N=C(Nc1ccccc1)Nc2ccccc2 1P003E1N [0,0,0,0,0,2|1,0,0]=3 1261 B17R2.143 N=C(Nc1ccccc1)Nc2ccccc2 1P003E1O [0,0,0,0,0,2|1,0,0]=3 1262 B17R2.143 N=C(Nc1ccccc1)Nc2ccccc2 1P00IICY [0,0,0,0,0,2|1,0,0]=3 1263 B17R2.143 NC(Cc1ccccc1)Cc2ccccc2 1P00CNUV [0,0,0,0,0,2|1,0,1]=4 1264 B17R2.143 NC(Cc1ccccc1)Cc2ccccc2 1P00GAQ0 [0,0,0,0,0,2|1,0,1]=4 1265 B17R2.143 NN(Cc1ccccc1)Cc2ccccc2 1P003DOS [0,0,0,0,0,2|2,0,0]=4 1266 B17R2.143 O=C(Cc1ccccc1)Cc2ccccc2 1P0006OX [0,0,0,0,0,2|0,0,0]=2 1267 B17R2.143 O=C(Cc1cccnc1)Cc2ccccc2 1P01BJOT [0,0,0,0,0,2|1,0,0]=3 1268 B17R2.143 O=C(Nc1ccccc1)Cc2ccccc2 1P00EBLX [0,0,0,0,0,2|0,0,0]=2 1269 B17R2.143 O=C(Nc1ccccc1)Nc2ccccc2 1P0006OV [0,0,0,0,0,2|0,0,0]=2 1270 B17R2.143 O=C(Nc1ccccn1)Nc2ccccn2 1P00ELVU [0,0,0,0,0,2|2,0,0]=4 1271 B17R2.143 O=C(Nc1cccnc1)Nc2ccccc2 1P002CYS [0,0,0,0,0,2|1,0,0]=3 1272 B17R2.143 O=C(Nc1ccncc1)Nc2ccccc2 1P00ASC8 [0,0,0,0,0,2|1,0,0]=3 1273 B17R2.143 O=C(Nc1ccncc1)Nc2ccncc2 1P01E4UZ [0,0,0,0,0,2|2,0,0]=4 1274 B17R2.143 O=C(Nc1cncnc1)Nc2ccccc2 1P01DX3E [0,0,0,0,0,2|2,0,0]=4 1275 B17R2.143 O=C(Oc1ccccc1)Cc2ccccc2 1P003U5U [0,0,0,0,0,2|0,0,0]=2 1276 B17R2.143 O=C(Oc1ccccc1)Nc2cccnc2 1P0025QQ [0,0,0,0,0,2|1,0,0]=3 1277 B17R2.143 O=C(Oc1ccccc1)Oc2ccccc2 1P0006OT [0,0,0,0,0,2|0,0,0]=2 1278 B17R2.143 O=C(Oc1ccccn1)Oc2ccccn2 1P001WVN [0,0,0,0,0,2|2,0,0]=4 1279 B17R2.143 O=C(Oc1cccnc1)Oc2cccnc2 1P027VJQ [0,0,0,0,0,2|2,0,0]=4 1280 B17R2.143 O=C(Sc1ccccn1)Sc2ccccn2 1P01XCE3 [0,0,0,0,0,2|2,0,0]=4 1281 B17R2.143 O=P(Oc1ccccc1)Oc2ccccc2 1P00I92T [0,0,0,0,0,2|1,0,0]=3 1282 B17R2.143 O=S(Cc1ccccc1)Cc2ccccc2 1P003PSN [0,0,0,0,0,2|1,0,0]=3 1283 B17R2.143 OC(Cc1ccccc1)Cc2ccccc2 1P00DNYH [0,0,0,0,0,2|0,0,2]=4 1284 B17R2.143 ON(Cc1ccccc1)Cc2ccccc2 1P003SZ9 [0,0,0,0,0,2|1,0,1]=4 1285 B17R2.143 S=C(Nc1ccccc1)Nc2ccccc2 1P0006OU [0,0,0,0,0,2|0,1,0]=3 1286 B17R2.2342 CC(c1ccccc1)C=Cc2ccccc2 1P00G4F7 [0,0,0,0,0,2|1,0,1]=4 1287 B17R2.2342 CC(c1ccccc1)CCc2ccccc2 1P003DLG [0,0,0,0,0,2|1,0,1]=4 1288 B17R2.2342 CC(c1ccccc1)NCc2ccccc2 1P00CMGE [0,0,0,0,0,2|1,0,1]=4 1289 B17R2.2342 C[C@@H](c1ccccc1)NCc2ccccc2 1P003CV2 [0,0,0,0,0,2|1,0,1]=4 1290 B17R2.2342 C[C@H](c1ccccc1)NCc2ccccc2 1P0032UV [0,0,0,0,0,2|1,0,1]=4 1291 B17R2.2342 Cl\C(=N/Nc1ccccc1)\c2ccccc2 1P00APZM [0,0,0,0,0,2|1,0,0]=3 1292 B17R2.2342 NC(c1ccccc1)CCc2ccccc2 1P00EVP0 [0,0,0,0,0,2|1,0,1]=4 1293 B17R2.2342 NC(c1ccccc1)CCc2ccccc2 1P019VSK [0,0,0,0,0,2|1,0,1]=4 1294 B17R2.2342 NC(c1ccccc1)CNc2ccccc2 1P021KCP [0,0,0,0,0,2|1,0,1]=4 1295 B17R2.2342 NC(c1ccccc1)COc2ccccc2 1P01AH67 [0,0,0,0,0,2|1,0,1]=4 1296 B17R2.2342 O=C(c1ccccc1)C#Cc2ccccc2 1P006114 [0,0,0,0,0,2|0,0,0]=2 1297 B17R2.2342 O=C(c1ccccc1)C=Cc2ccccc2 1P003P8E [0,0,0,0,0,2|0,0,0]=2 1298 B17R2.2342 O=C(c1ccccc1)CCc2ccccc2 1P003ON6 [0,0,0,0,0,2|0,0,0]=2 1299 B17R2.2342 O=C(c1ccccc1)CCc2cccnc2 1P01BJOZ [0,0,0,0,0,2|1,0,0]=3 1300 B17R2.2342 O=C(c1ccccc1)COc2ccccc2 1P00FEPY [0,0,0,0,0,2|0,0,0]=2 1301 B17R2.2342 O=C(c1ccccc1)NCc2ccccc2 1P001LG6 [0,0,0,0,0,2|0,0,0]=2 1302 B17R2.2342 O=C(c1ccccc1)OCc2ccccc2 1P000QHH [0,0,0,0,0,2|0,0,0]=2 1303 B17R2.2342 O=C(c1ccccc1)\C=C\c2ccccc2 1P003VFH [0,0,0,0,0,2|0,0,0]=2 1304 B17R2.2342 O=C(c1ccccn1)CCc2ccccc2 1P00E4NL [0,0,0,0,0,2|1,0,0]=3 1305 B17R2.2342 O=C(c1ccccn1)NNc2ccccn2 1P01X1UU [0,0,0,0,0,2|2,0,0]=4 1306 B17R2.2342 O=C(c1ccccn1)\C=C\c2ccccc2 1P00IY9M [0,0,0,0,0,2|1,0,0]=3 1307 B17R2.2342 O=C(c1cccnc1)CCc2ccccc2 1P01BJHK [0,0,0,0,0,2|1,0,0]=3 1308 B17R2.2342 O=C(c1cccnc1)OCc2ccccc2 1P00GROH [0,0,0,0,0,2|1,0,0]=3 1309 B17R2.2342 O=C(c1ccncc1)C=Cc2cccnc2 1P0014PM [0,0,0,0,0,2|2,0,0]=4 1310 B17R2.2342 O=C(c1ccncc1)NCc2ccccc2 1P0169YJ [0,0,0,0,0,2|1,0,0]=3 1311 B17R2.2342 O=C(c1ccncc1)NCc2ccncc2 1P002VYH [0,0,0,0,0,2|2,0,0]=4 1312 B17R2.2342 O=C(c1ccncc1)NNc2ccccc2 1P00GUM9 [0,0,0,0,0,2|1,0,0]=3 1313 B17R2.2342 O=C(c1ccncc1)\C=C\c2cccnc2 1P00AQU5 [0,0,0,0,0,2|2,0,0]=4 1314 B17R2.2342 O=S(c1ccccc1)OCc2ccccc2 1P01FG0H [0,0,0,0,0,2|1,0,0]=3 1315 B17R2.2342 OC(c1ccccc1)CCc2ccccc2 1P009YBL [0,0,0,0,0,2|0,0,2]=4 1316 B17R2.2342 OC(c1ccccc1)COc2ccccc2 1P00C79S [0,0,0,0,0,2|0,0,2]=4 1317 B17R2.2342 OC(c1ccccc1)\C=C\c2ccccc2 1P003VBV [0,0,0,0,0,2|0,0,2]=4 1318 B17R2.2342 O[C@@H](c1ccccc1)CNc2ccccc2 1P01C6XA [0,0,0,0,0,2|0,0,2]=4 1319 B17R2.2342 S=C(c1ccccc1)SCc2ccccc2 1P00BD2G [0,0,0,0,0,2|0,1,0]=3