0 B12R1.107 C=C(c1ccccc1)NC(=O)C 1P00F1Z1 [0,0,0,0,0,0|1,0,2]=3 1 B12R1.107 CC(=CC(=O)O)c1ccccc1 1P000QAQ [0,0,0,0,0,0|2,0,1]=3 2 B12R1.107 CC(=C[N+](=O)[O-])c1ccccc1 1P001QCB [0,0,0,0,0,0|3,0,1]=4 3 B12R1.107 CC(=O)CC(=O)c1ccccn1 1P00CHQ6 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.107 CC(=O)CC(=O)c1cccnc1 1P007DNH [0,0,0,0,0,0|3,0,1]=4 5 B12R1.107 CC(CC(c1ccccn1)C)C 1P01EY0Y [0,0,0,0,0,0|3,0,1]=4 6 B12R1.107 CC(CN(c1ccccc1)C)N 1P019XOL [0,0,0,0,0,0|3,0,1]=4 7 B12R1.107 CC(CN(c1ccccc1)C)N 1P01A7V7 [0,0,0,0,0,0|3,0,1]=4 8 B12R1.107 CC(OC(=O)c1ccccc1)C 1P00GSIP [0,0,0,0,0,0|2,0,2]=4 9 B12R1.107 CC(c1ccccc1)CC(=O)O 1P003KCA [0,0,0,0,0,0|2,0,0]=2 10 B12R1.107 CC(c1ccccc1)NC(=O)C 1P00I7M1 [0,0,0,0,0,0|1,0,0]=1 11 B12R1.107 CC(c1ccccc1)NC(=O)N 1P00CN8F [0,0,0,0,0,0|2,0,0]=2 12 B12R1.107 CC(c1ccccc1)NC(=S)N 1P00FCYI [0,0,0,0,0,0|2,1,0]=3 13 B12R1.107 CC(c1ccccc1)NC(C)C 1P0073Y4 [0,0,0,0,0,0|2,0,1]=3 14 B12R1.107 CC(c1ccccc1)OC(=O)C 1P00IHWT [0,0,0,0,0,0|0,0,0]=0 15 B12R1.107 CC(c1ccncc1)CC(=O)O 1P00DE5H [0,0,0,0,0,0|3,0,0]=3 16 B12R1.107 CC(c1ccncc1)CC(=O)O 1P01BVVQ [0,0,0,0,0,0|3,0,0]=3 17 B12R1.107 CN(c1ccccc1)CC(=O)O 1P003A5H [0,0,0,0,0,0|3,0,0]=3 18 B12R1.107 CN(c1ccccc1)CC(=O)O 1P0076QI [0,0,0,0,0,0|3,0,0]=3 19 B12R1.107 CN(c1ccncc1)CC(=O)O 1P028DLS [0,0,0,0,0,0|4,0,0]=4 20 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O 1P003CQF [0,0,0,0,0,0|2,0,0]=2 21 B12R1.107 C[C@@H](c1ccccc1)NC(C)C 1P000CM5 [0,0,0,0,0,0|2,0,1]=3 22 B12R1.107 C[C@H](c1ccccc1)CC(=O)O 1P003D2T [0,0,0,0,0,0|2,0,0]=2 23 B12R1.107 C[C@H](c1ccccc1)NC(=O)C 1P00BYH2 [0,0,0,0,0,0|1,0,0]=1 24 B12R1.107 C[C@H](c1ccccc1)NC(=O)N 1P001YK1 [0,0,0,0,0,0|2,0,0]=2 25 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 1P005J10 [0,0,0,0,0,0|2,0,1]=3 26 B12R1.107 Cl\C(=N/C(=O)Cl)\c1ccccc1 1P028WVM [0,0,0,0,0,0|3,0,1]=4 27 B12R1.107 F\C(=C/C(=O)O)\c1ccccc1 1P028ELB [0,0,0,0,0,0|3,0,1]=4 28 B12R1.107 F\C(=C\C(=O)O)\c1ccccc1 1P027U6A [0,0,0,0,0,0|3,0,1]=4 29 B12R1.107 I\C(=C/C(=O)O)\c1ccccc1 1P028MCH [0,0,0,0,0,0|3,0,1]=4 30 B12R1.107 NC(c1ccccc1)CC(=C)C 1P028TE7 [0,0,0,0,0,0|3,0,0]=3 31 B12R1.107 NC(c1ccccc1)CC(=O)N 1P019X2N [0,0,0,0,0,0|3,0,0]=3 32 B12R1.107 NC(c1ccccc1)CC(=O)O 1P003JBO [0,0,0,0,0,0|3,0,0]=3 33 B12R1.107 NC(c1ccccc1)CC(=O)O 1P00DNX9 [0,0,0,0,0,0|3,0,0]=3 34 B12R1.107 NC(c1ccccc1)CC(C)C 1P00C0WB [0,0,0,0,0,0|3,0,1]=4 35 B12R1.107 NC(c1ccccc1)CC(C)C 1P019LPB [0,0,0,0,0,0|3,0,1]=4 36 B12R1.107 NC(c1ccccc1)CN(C)C 1P00BZGW [0,0,0,0,0,0|4,0,0]=4 37 B12R1.107 NC(c1ccccc1)CN(C)C 1P01ADDB [0,0,0,0,0,0|4,0,0]=4 38 B12R1.107 NC(c1ccccc1)CS(=O)C 1P019S9W [0,0,0,0,0,0|3,0,0]=3 39 B12R1.107 NC(c1ccncc1)CC(=O)O 1P00BZAE [0,0,0,0,0,0|4,0,0]=4 40 B12R1.107 NC(c1ccncc1)CC(=O)O 1P01B5IG [0,0,0,0,0,0|4,0,0]=4 41 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P0032VU [0,0,0,0,0,0|3,0,0]=3 42 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P004U26 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P000T0X [0,0,0,0,0,0|3,0,1]=4 44 B12R1.107 N[C@@H](c1ccccc1)CC(C)C 1P008YO7 [0,0,0,0,0,0|3,0,1]=4 45 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P003722 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.107 N[C@@H](c1ccccc1)CN(C)C 1P01BD0I [0,0,0,0,0,0|4,0,0]=4 47 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P003D2H [0,0,0,0,0,0|3,0,0]=3 48 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P008J3J [0,0,0,0,0,0|3,0,0]=3 49 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P000WWO [0,0,0,0,0,0|3,0,1]=4 50 B12R1.107 N[C@H](c1ccccc1)CC(C)C 1P008YO9 [0,0,0,0,0,0|3,0,1]=4 51 B12R1.107 N[C@H](c1ccccc1)CN(C)C 1P00BASK [0,0,0,0,0,0|4,0,0]=4 52 B12R1.107 O=C(c1ccccc1)CC(=O)C 1P003F29 [0,0,0,0,0,0|2,0,1]=3 53 B12R1.107 O=C(c1ccccc1)CC(=O)[O-] 1P00FIFJ [0,0,0,0,0,0|3,0,1]=4 54 B12R1.107 O=C(c1ccccc1)NC(=O)N 1P003OJV [0,0,0,0,0,0|3,0,1]=4 55 B12R1.107 O=C(c1ccccc1)\C=C(/N)\C 1P00IS13 [0,0,0,0,0,0|3,0,1]=4 56 B12R1.107 O=C(c1ccncc1)CC(=O)C 1P005S1N [0,0,0,0,0,0|3,0,1]=4 57 B12R1.107 OC(=O)CC(c1ccccn1)C 1P00H5G0 [0,0,0,0,0,0|3,0,0]=3 58 B12R1.107 OC(=O)CC(c1ccccn1)N 1P01A2VT [0,0,0,0,0,0|4,0,0]=4 59 B12R1.107 OC(=O)CC(c1cccnc1)C 1P01AJ2C [0,0,0,0,0,0|3,0,0]=3 60 B12R1.107 OC(=O)CC(c1cccnc1)N 1P0032W9 [0,0,0,0,0,0|4,0,0]=4 61 B12R1.107 OC(=O)CN(c1ccccn1)C 1P0005JD [0,0,0,0,0,0|4,0,0]=4 62 B12R1.107 OC(=O)C[C@@H](c1cccnc1)N 1P00810F [0,0,0,0,0,0|4,0,0]=4 63 B12R1.107 OC(=O)C[C@H](c1ccccn1)N 1P024G2A [0,0,0,0,0,0|4,0,0]=4 64 B12R1.107 OC(=O)C[C@H](c1cccnc1)N 1P001O1I [0,0,0,0,0,0|4,0,0]=4 65 B12R1.107 OC(c1ccccc1)CC(=O)O 1P00C7L2 [0,0,0,0,0,0|3,0,0]=3 66 B12R1.107 OC(c1ccccc1)CC(N)C 1P01A046 [0,0,0,0,0,0|3,0,1]=4 67 B12R1.107 O[C@@H](c1ccccc1)CC(=O)O 1P002UVZ [0,0,0,0,0,0|3,0,0]=3 68 B12R1.107 O[C@@H](c1ccccc1)CN(C)C 1P028DPC [0,0,0,0,0,0|4,0,0]=4 69 B12R1.107 O[C@H](c1ccccc1)CC(=O)O 1P003D2M [0,0,0,0,0,0|3,0,0]=3 70 B11R1.16 BrC(c1ccccc1)N=C=O 1P028ZA9 [1,0,0,0,0,0|2,0,1]=4 71 B11R1.16 BrC=CC(c1ccccc1)C 1P02911R [1,0,0,0,0,0|2,0,0]=3 72 B11R1.16 C=CCC(c1ccccc1)N 1P019ZKP [1,0,0,0,0,0|2,0,1]=4 73 B11R1.16 C=CCC(c1ccccc1)O 1P003F2U [1,0,0,0,0,0|2,0,1]=4 74 B11R1.16 C=CC[C@@H](c1ccccc1)N 1P028TS3 [1,0,0,0,0,0|2,0,1]=4 75 B11R1.16 C=CC[C@H](c1ccccc1)N 1P000GXM [1,0,0,0,0,0|2,0,1]=4 76 B11R1.16 C=CC[C@H](c1ccccc1)N 1P001104 [1,0,0,0,0,0|2,0,1]=4 77 B11R1.16 C=COC(=O)c1ccccc1 1P003VRK [1,0,0,0,0,0|1,0,2]=4 78 B11R1.16 CC(c1ccccc1)CC#C 1P01XITB [1,0,0,0,0,0|1,0,2]=4 79 B11R1.16 CC(c1ccccc1)CC#N 1P01A5MS [1,0,0,0,0,0|2,0,1]=4 80 B11R1.16 CC(c1ccccc1)N=C=O 1P00AULA [1,0,0,0,0,0|1,0,1]=3 81 B11R1.16 CC(c1ccccc1)N=C=S 1P003F35 [1,0,0,0,0,0|1,1,1]=4 82 B11R1.16 CC=CC(=O)c1ccccc1 1P003F2O [1,0,0,0,0,0|2,0,1]=4 83 B11R1.16 CCCC(c1ccccc1)Br 1P028J5S [1,0,0,0,0,0|2,0,1]=4 84 B11R1.16 CCCC(c1ccccc1)N 1P007LFH [1,0,0,0,0,0|2,0,1]=4 85 B11R1.16 CCCC(c1ccccc1)N 1P00J1NH [1,0,0,0,0,0|2,0,1]=4 86 B11R1.16 CCCC(c1ccccc1)O 1P003F2B [1,0,0,0,0,0|2,0,1]=4 87 B11R1.16 CCCC(c1ccccn1)C 1P01EXTY [1,0,0,0,0,0|2,0,1]=4 88 B11R1.16 CCNC(c1ccccc1)C 1P0004S9 [1,0,0,0,0,0|1,0,1]=3 89 B11R1.16 CCNC(c1cccnc1)C 1P00EFBF [1,0,0,0,0,0|2,0,1]=4 90 B11R1.16 CCNC(c1cccnc1)C 1P028RTA [1,0,0,0,0,0|2,0,1]=4 91 B11R1.16 CCNC(c1ccncc1)C 1P01AKDL [1,0,0,0,0,0|2,0,1]=4 92 B11R1.16 CCOC(=N)c1ccccc1 1P003QV0 [1,0,0,0,0,0|1,0,2]=4 93 B11R1.16 CCOC(=O)c1ccccc1 1P003QV1 [1,0,0,0,0,0|1,0,2]=4 94 B11R1.16 CCOP(=O)c1ccccc1 1P002QZM [1,0,0,0,0,0|2,0,1]=4 95 B11R1.16 CNCC(c1ccccc1)C 1P00E9JV [1,0,0,0,0,0|2,0,0]=3 96 B11R1.16 CNCC(c1ccccc1)C 1P00GWGF [1,0,0,0,0,0|2,0,0]=3 97 B11R1.16 CNCC(c1ccccc1)O 1P003QA3 [1,0,0,0,0,0|3,0,0]=4 98 B11R1.16 CNC[C@H](c1ccccc1)C 1P027VJM [1,0,0,0,0,0|2,0,0]=3 99 B11R1.16 COCC(c1ccccc1)Br 1P01EM9D [1,0,0,0,0,0|3,0,0]=4 100 B11R1.16 COCC(c1ccccc1)N 1P00BBXF [1,0,0,0,0,0|3,0,0]=4 101 B11R1.16 COCC(c1ccccc1)N 1P01A9V2 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.16 COCC(c1ccccc1)O 1P01EMW6 [1,0,0,0,0,0|3,0,0]=4 103 B11R1.16 COCC(c1ccccc1)S 1P01DZAM [1,0,0,0,0,0|3,0,0]=4 104 B11R1.16 COC[C@@H](c1ccccc1)N 1P00EG20 [1,0,0,0,0,0|3,0,0]=4 105 B11R1.16 COC[C@@H](c1ccccc1)N 1P00IBV5 [1,0,0,0,0,0|3,0,0]=4 106 B11R1.16 COC[C@H](c1ccccc1)N 1P006PB9 [1,0,0,0,0,0|3,0,0]=4 107 B11R1.16 COC[C@H](c1ccccc1)N 1P01JX6V [1,0,0,0,0,0|3,0,0]=4 108 B11R1.16 CSCC(c1ccccc1)N 1P01AK47 [1,0,0,0,0,0|3,0,0]=4 109 B11R1.16 CSCC(c1ccccc1)N 1P028BW7 [1,0,0,0,0,0|3,0,0]=4 110 B11R1.16 C[C@@H](c1ccccc1)N=C=O 1P003CTY [1,0,0,0,0,0|1,0,1]=3 111 B11R1.16 C[C@@H](c1ccccc1)N=C=S 1P003RO0 [1,0,0,0,0,0|1,1,1]=4 112 B11R1.16 C[C@H](c1ccccc1)N=C=O 1P0032O4 [1,0,0,0,0,0|1,0,1]=3 113 B11R1.16 C[C@H](c1ccccc1)N=C=S 1P003POZ [1,0,0,0,0,0|1,1,1]=4 114 B11R1.16 C\C=C\C(=O)c1ccccc1 1P003VC7 [1,0,0,0,0,0|2,0,1]=4 115 B11R1.16 NCCC(c1ccccc1)C 1P0075ZN [1,0,0,0,0,0|2,0,1]=4 116 B11R1.16 NCCC(c1ccccc1)C 1P00J1J3 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.16 O=C(c1ccccc1)O[NH2+]C 1P003TWD [1,0,0,0,0,0|2,0,1]=4 118 B11R1.16 O=CC=C(c1ccccc1)C 1P000PPZ [1,0,0,0,0,0|1,0,1]=3 119 B11R1.16 O=CCC(c1ccccc1)C 1P001TO2 [1,0,0,0,0,0|1,0,0]=2 120 B11R1.16 O=CNC(c1ccccc1)C 1P00FC79 [1,0,0,0,0,0|1,0,0]=2 121 B11R1.16 OCCC(c1ccccc1)C 1P003KBY [1,0,0,0,0,0|1,0,2]=4 122 B11R1.91 CC(=C)COc1ccccc1 1P003RYC [1,0,0,0,0,0|3,0,0]=4 123 B11R1.91 CC(=CCc1ccccc1)C 1P0071P0 [1,0,0,0,0,0|2,0,0]=3 124 B11R1.91 CC(=N)NCc1ccccc1 1P00AQS6 [1,0,0,0,0,0|2,0,0]=3 125 B11R1.91 CC(=O)C#Cc1ccccc1 1P0023J2 [1,0,0,0,0,0|1,0,1]=3 126 B11R1.91 CC(=O)C=Cc1ccccc1 1P0016ZQ [1,0,0,0,0,0|1,0,1]=3 127 B11R1.91 CC(=O)C=Cc1ccccn1 1P01BF2A [1,0,0,0,0,0|2,0,1]=4 128 B11R1.91 CC(=O)CCc1ccccc1 1P003OLF [1,0,0,0,0,0|1,0,0]=2 129 B11R1.91 CC(=O)CCc1ccccn1 1P00591V [1,0,0,0,0,0|2,0,0]=3 130 B11R1.91 CC(=O)CCc1cccnc1 1P01BTZ4 [1,0,0,0,0,0|2,0,0]=3 131 B11R1.91 CC(=O)CCc1ccncc1 1P01FJT3 [1,0,0,0,0,0|2,0,0]=3 132 B11R1.91 CC(=O)COc1ccccc1 1P003U54 [1,0,0,0,0,0|2,0,0]=3 133 B11R1.91 CC(=O)CSc1ccccc1 1P006UAN [1,0,0,0,0,0|2,0,0]=3 134 B11R1.91 CC(=O)NCc1ccccc1 1P003T87 [1,0,0,0,0,0|1,0,0]=2 135 B11R1.91 CC(=O)NCc1ccccn1 1P019LWA [1,0,0,0,0,0|2,0,0]=3 136 B11R1.91 CC(=O)NCc1cccnc1 1P002M86 [1,0,0,0,0,0|2,0,0]=3 137 B11R1.91 CC(=O)NCc1cccnn1 1P01BW9E [1,0,0,0,0,0|3,0,0]=4 138 B11R1.91 CC(=O)NNc1ccccc1 1P000AQR [1,0,0,0,0,0|2,0,0]=3 139 B11R1.91 CC(=O)OCc1ccccc1 1P001CDM [1,0,0,0,0,0|0,0,0]=1 140 B11R1.91 CC(=O)OCc1ccccn1 1P000353 [1,0,0,0,0,0|1,0,0]=2 141 B11R1.91 CC(=O)OCc1cccnc1 1P00036I [1,0,0,0,0,0|1,0,0]=2 142 B11R1.91 CC(=O)SCc1ccccc1 1P00C8DO [1,0,0,0,0,0|0,1,0]=2 143 B11R1.91 CC(=O)\C=C\c1ccccc1 1P002E97 [1,0,0,0,0,0|1,0,1]=3 144 B11R1.91 CC(CCc1ccccc1)Br 1P018SBF [1,0,0,0,0,0|2,0,1]=4 145 B11R1.91 CC(CCc1ccccc1)C 1P002A7L [1,0,0,0,0,0|2,0,1]=4 146 B11R1.91 CC(CCc1ccccc1)O 1P002NPI [1,0,0,0,0,0|1,0,2]=4 147 B11R1.91 CC(NCc1ccccc1)C 1P0006PT [1,0,0,0,0,0|2,0,1]=4 148 B11R1.91 CC(NCc1ccccc1)C 1P01LIWH [1,0,0,0,0,0|2,0,1]=4 149 B11R1.91 CC(OCc1ccccc1)C 1P01EV13 [1,0,0,0,0,0|1,0,1]=3 150 B11R1.91 CN(CCc1ccccc1)C 1P0008RA [1,0,0,0,0,0|3,0,0]=4 151 B11R1.91 CN(CCc1ccccc1)C 1P003T27 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.91 CN(NCc1ccccc1)C 1P005L63 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.91 C[C@@H](CCc1ccccc1)O 1P003CY4 [1,0,0,0,0,0|1,0,2]=4 154 B11R1.91 C[C@H](CCc1ccccc1)N 1P02842V [1,0,0,0,0,0|2,0,1]=4 155 B11R1.91 C[C@H](CCc1ccccc1)O 1P003CJW [1,0,0,0,0,0|1,0,2]=4 156 B11R1.91 ClC(=O)C=Cc1ccccc1 1P0006PX [1,0,0,0,0,0|2,0,1]=4 157 B11R1.91 ClC(=O)CCc1ccccc1 1P003KCH [1,0,0,0,0,0|2,0,0]=3 158 B11R1.91 ClC(=O)COc1ccccc1 1P003U56 [1,0,0,0,0,0|3,0,0]=4 159 B11R1.91 ClC(=O)OCc1cccnc1 1P01DWJE [1,0,0,0,0,0|2,0,0]=3 160 B11R1.91 ClC(=O)\C=C\c1ccccc1 1P00ACFX [1,0,0,0,0,0|2,0,1]=4 161 B11R1.91 NC(=N)CCc1ccccc1 1P00CD5C [1,0,0,0,0,0|3,0,0]=4 162 B11R1.91 NC(=N)NCc1ccccc1 1P00HE8W [1,0,0,0,0,0|3,0,0]=4 163 B11R1.91 NC(=N)NCc1ccccc1 1P00J2IU [1,0,0,0,0,0|3,0,0]=4 164 B11R1.91 NC(=N)SCc1ccccc1 1P00394W [1,0,0,0,0,0|2,1,0]=4 165 B11R1.91 NC(=N)[NH2+]Cc1ccccc1 1P0070M0 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.91 NC(=NCc1ccccc1)N 1P01AJFT [1,0,0,0,0,0|3,0,0]=4 167 B11R1.91 NC(=O)C#Cc1ccccc1 1P00697N [1,0,0,0,0,0|2,0,1]=4 168 B11R1.91 NC(=O)C=Cc1ccccc1 1P00352M [1,0,0,0,0,0|2,0,1]=4 169 B11R1.91 NC(=O)CCc1ccccc1 1P0006PW [1,0,0,0,0,0|2,0,0]=3 170 B11R1.91 NC(=O)CCc1cccnc1 1P004YZ2 [1,0,0,0,0,0|3,0,0]=4 171 B11R1.91 NC(=O)CCc1ccncc1 1P00IDTF [1,0,0,0,0,0|3,0,0]=4 172 B11R1.91 NC(=O)CNc1ccccc1 1P00C37C [1,0,0,0,0,0|3,0,0]=4 173 B11R1.91 NC(=O)COc1ccccc1 1P00EASD [1,0,0,0,0,0|3,0,0]=4 174 B11R1.91 NC(=O)CSc1ccccc1 1P00BJGD [1,0,0,0,0,0|3,0,0]=4 175 B11R1.91 NC(=O)NCc1ccccc1 1P003OM7 [1,0,0,0,0,0|2,0,0]=3 176 B11R1.91 NC(=O)NCc1ccccn1 1P00IRVC [1,0,0,0,0,0|3,0,0]=4 177 B11R1.91 NC(=O)NCc1cccnc1 1P00CKKY [1,0,0,0,0,0|3,0,0]=4 178 B11R1.91 NC(=O)NCc1ccncc1 1P01A9GM [1,0,0,0,0,0|3,0,0]=4 179 B11R1.91 NC(=O)NNc1ccccc1 1P003F3K [1,0,0,0,0,0|3,0,0]=4 180 B11R1.91 NC(=O)OCc1ccccc1 1P00IBFU [1,0,0,0,0,0|1,0,0]=2 181 B11R1.91 NC(=O)\C=C/c1ccccc1 1P0076YW [1,0,0,0,0,0|2,0,1]=4 182 B11R1.91 NC(=O)\C=C\c1ccccc1 1P00352N [1,0,0,0,0,0|2,0,1]=4 183 B11R1.91 NC(=S)CCc1ccccc1 1P006QBP [1,0,0,0,0,0|2,1,0]=4 184 B11R1.91 NC(=S)NCc1ccccc1 1P003OLU [1,0,0,0,0,0|2,1,0]=4 185 B11R1.91 NC(=S)NCc1ccccc1 1P01AKHE [1,0,0,0,0,0|2,1,0]=4 186 B11R1.91 OC(=O)C#Cc1ccccc1 1P003U6Q [1,0,0,0,0,0|2,0,1]=4 187 B11R1.91 OC(=O)C=Cc1ccccc1 1P0037GS [1,0,0,0,0,0|2,0,1]=4 188 B11R1.91 OC(=O)CCc1ccccc1 1P003RFB [1,0,0,0,0,0|2,0,0]=3 189 B11R1.91 OC(=O)CCc1ccccn1 1P003II5 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.91 OC(=O)CCc1ccccn1 1P01BEQE [1,0,0,0,0,0|3,0,0]=4 191 B11R1.91 OC(=O)CCc1cccnc1 1P003IJC [1,0,0,0,0,0|3,0,0]=4 192 B11R1.91 OC(=O)CCc1ccncc1 1P0039U4 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.91 OC(=O)CNc1ccccc1 1P003TRX [1,0,0,0,0,0|3,0,0]=4 194 B11R1.91 OC(=O)COc1ccccc1 1P0016ZP [1,0,0,0,0,0|3,0,0]=4 195 B11R1.91 OC(=O)CSc1ccccc1 1P003CIK [1,0,0,0,0,0|3,0,0]=4 196 B11R1.91 OC(=O)\C=C\c1ccccc1 1P001CDN [1,0,0,0,0,0|2,0,1]=4 197 B11R1.91 [O-]C(=O)C=Cc1ccccc1 1P001VX1 [1,0,0,0,0,0|2,0,1]=4 198 B11R1.91 [O-]C(=O)CCc1ccccc1 1P0036E4 [1,0,0,0,0,0|2,0,0]=3 199 B11R1.91 [O-]C(=O)CNc1ccccc1 1P003TRZ [1,0,0,0,0,0|3,0,0]=4 200 B11R1.91 [O-]C(=O)COc1ccccc1 1P003UU9 [1,0,0,0,0,0|3,0,0]=4 201 B11R1.91 [O-]C(=O)COc1ccccc1 1P00I6DB [1,0,0,0,0,0|3,0,0]=4 202 B11R1.91 [O-]C(=O)\C=C\c1ccccc1 1P00IA2C [1,0,0,0,0,0|2,0,1]=4 203 B11R1.91 [O-]S(=O)CCc1ccccc1 1P01C8OV [1,0,0,0,0,0|3,0,0]=4 204 B11R1.91 [O-][N+](=O)CCc1ccccc1 1P00E9PH [1,0,0,0,0,0|3,0,0]=4 205 B11R1.91 [S-]C(=S)NCc1ccccc1 1P01EI8C [1,0,0,0,0,0|2,1,0]=4 206 B13R1.11 BrCC(=O)NC(c1ccccc1)C 1P006CQK [0,1,0,0,0,0|1,0,0]=2 207 B13R1.11 CCC(=O)CC(=O)c1ccccc1 1P00DHNH [0,1,0,0,0,0|2,0,1]=4 208 B13R1.11 CCC(=O)OC(c1ccccc1)C 1P000QHL [0,1,0,0,0,0|0,0,0]=1 209 B13R1.11 CNC(=O)CC(=O)c1ccccc1 1P002BKI [0,1,0,0,0,0|2,0,1]=4 210 B13R1.11 CNC(=O)CC(c1ccccc1)N 1P027UEL [0,1,0,0,0,0|2,0,0]=3 211 B13R1.11 CNC(=O)CN(c1ccccn1)C 1P028D4I [0,1,0,0,0,0|3,0,0]=4 212 B13R1.11 COC(=O)CC(=O)c1ccccc1 1P00EA7O [0,1,0,0,0,0|2,0,1]=4 213 B13R1.11 COC(=O)CC(c1ccccc1)N 1P004ASR [0,1,0,0,0,0|2,0,0]=3 214 B13R1.11 COC(=O)CC(c1ccccn1)N 1P000Q02 [0,1,0,0,0,0|3,0,0]=4 215 B13R1.11 COC(=O)CC(c1cccnc1)N 1P00810G [0,1,0,0,0,0|3,0,0]=4 216 B13R1.11 COC(=O)CC(c1cccnc1)N 1P01F2S3 [0,1,0,0,0,0|3,0,0]=4 217 B13R1.11 COC(=O)CC(c1ccncc1)N 1P00132A [0,1,0,0,0,0|3,0,0]=4 218 B13R1.11 COC(=O)CN(c1ccccn1)C 1P000NG0 [0,1,0,0,0,0|3,0,0]=4 219 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N 1P001K31 [0,1,0,0,0,0|2,0,0]=3 220 B13R1.11 COC(=O)C[C@@H](c1ccccc1)N 1P00C8FW [0,1,0,0,0,0|2,0,0]=3 221 B13R1.11 COC(=O)C[C@@H](c1cccnc1)N 1P00APYJ [0,1,0,0,0,0|3,0,0]=4 222 B13R1.11 COC(=O)C[C@@H](c1ccncc1)N 1P01XD81 [0,1,0,0,0,0|3,0,0]=4 223 B13R1.11 COC(=O)C[C@H](c1ccccc1)N 1P00BKAY [0,1,0,0,0,0|2,0,0]=3 224 B13R1.11 COC(=O)C[C@H](c1cccnc1)N 1P01XDOY [0,1,0,0,0,0|3,0,0]=4 225 B13R1.11 COC(=O)C[C@H](c1ccncc1)N 1P01XD13 [0,1,0,0,0,0|3,0,0]=4 226 B13R1.11 COC(=O)OC(=O)c1ccccn1 1P01A2B6 [0,1,0,0,0,0|2,0,1]=4 227 B13R1.11 ClCC(=O)NC(=O)c1ccccc1 1P0069SC [0,1,0,0,0,0|2,0,1]=4 228 B13R1.11 ClCC(=O)NC(c1ccccc1)C 1P0010ZG [0,1,0,0,0,0|1,0,0]=2 229 B13R1.11 ClCC(=O)N[C@H](c1ccccc1)C 1P007ANS [0,1,0,0,0,0|1,0,0]=2 230 B13R1.11 NCC(=O)NC(c1ccccn1)C 1P01FKU4 [0,1,0,0,0,0|2,0,0]=3 231 B13R1.11 NNC(=O)CC(c1ccccc1)O 1P027XQR [0,1,0,0,0,0|3,0,0]=4 232 B13R1.132 CC(=O)CC(=O)c1ccc(cc1)C 1P003ARA [0,1,0,0,0,0|2,0,1]=4 233 B13R1.132 CC(c1ccc(cc1)Br)CC(=O)O 1P01A1DW [0,1,0,0,0,0|2,0,0]=3 234 B13R1.132 CC(c1ccc(cc1)Br)NC(=O)C 1P00GU5D [0,1,0,0,0,0|1,0,0]=2 235 B13R1.132 CC(c1ccc(cc1)C)CC(=O)O 1P00772E [0,1,0,0,0,0|2,0,0]=3 236 B13R1.132 CC(c1ccc(cc1)F)CC(=O)O 1P001RMW [0,1,0,0,0,0|2,0,0]=3 237 B13R1.132 CC(c1ccc(cc1)N)CC(=O)O 1P01A6P7 [0,1,0,0,0,0|2,0,0]=3 238 B13R1.132 CN(c1ccc(cc1)Cl)CC(=O)O 1P01BGXW [0,1,0,0,0,0|3,0,0]=4 239 B13R1.132 CN(c1ccc(cc1)Cl)CC(=O)O 1P01BH2R [0,1,0,0,0,0|3,0,0]=4 240 B13R1.132 C[C@@H](c1ccc(cc1)F)CC(=O)O 1P002KTB [0,1,0,0,0,0|2,0,0]=3 241 B13R1.132 C[C@H](c1ccc(cc1)F)CC(=O)O 1P00C402 [0,1,0,0,0,0|2,0,0]=3 242 B13R1.132 C\C(=C/C(=O)O)\c1ccc(cc1)F 1P028NQS [0,1,0,0,0,0|2,0,1]=4 243 B13R1.132 NC(=O)CC(c1ccc(cc1)N)C 1P01BJV4 [0,1,0,0,0,0|2,0,0]=3 244 B13R1.132 NC(c1ccc(cc1)Br)CC(=O)O 1P003JBH [0,1,0,0,0,0|3,0,0]=4 245 B13R1.132 NC(c1ccc(cc1)C)CC(=O)O 1P003JBJ [0,1,0,0,0,0|3,0,0]=4 246 B13R1.132 NC(c1ccc(cc1)Cl)CC(=O)O 1P002CLQ [0,1,0,0,0,0|3,0,0]=4 247 B13R1.132 NC(c1ccc(cc1)F)CC(=O)O 1P00341L [0,1,0,0,0,0|3,0,0]=4 248 B13R1.132 N[C@@H](c1ccc(cc1)Br)CC(=O)O 1P00DM4K [0,1,0,0,0,0|3,0,0]=4 249 B13R1.132 N[C@@H](c1ccc(cc1)Br)CC(=O)O 1P00I972 [0,1,0,0,0,0|3,0,0]=4 250 B13R1.132 N[C@@H](c1ccc(cc1)C)CC(=O)O 1P00I96V [0,1,0,0,0,0|3,0,0]=4 251 B13R1.132 N[C@@H](c1ccc(cc1)C)CC(=O)O 1P028NFE [0,1,0,0,0,0|3,0,0]=4 252 B13R1.132 N[C@@H](c1ccc(cc1)Cl)CC(=O)N 1P019YT1 [0,1,0,0,0,0|3,0,0]=4 253 B13R1.132 N[C@@H](c1ccc(cc1)Cl)CC(=O)O 1P00101D [0,1,0,0,0,0|3,0,0]=4 254 B13R1.132 N[C@@H](c1ccc(cc1)Cl)CC(=O)O 1P024H0B [0,1,0,0,0,0|3,0,0]=4 255 B13R1.132 N[C@@H](c1ccc(cc1)F)CC(=O)N 1P019Z5D [0,1,0,0,0,0|3,0,0]=4 256 B13R1.132 N[C@@H](c1ccc(cc1)F)CC(=O)O 1P0038QY [0,1,0,0,0,0|3,0,0]=4 257 B13R1.132 N[C@@H](c1ccc(cc1)F)CC(=O)O 1P0285SJ [0,1,0,0,0,0|3,0,0]=4 258 B13R1.132 N[C@H](c1ccc(cc1)Br)CC(=O)O 1P002UM1 [0,1,0,0,0,0|3,0,0]=4 259 B13R1.132 N[C@H](c1ccc(cc1)Br)CC(=O)O 1P01AANA [0,1,0,0,0,0|3,0,0]=4 260 B13R1.132 N[C@H](c1ccc(cc1)C)CC(=O)O 1P00I970 [0,1,0,0,0,0|3,0,0]=4 261 B13R1.132 N[C@H](c1ccc(cc1)C)CC(=O)O 1P028NQ5 [0,1,0,0,0,0|3,0,0]=4 262 B13R1.132 N[C@H](c1ccc(cc1)Cl)CC(=O)N 1P019YSC [0,1,0,0,0,0|3,0,0]=4 263 B13R1.132 N[C@H](c1ccc(cc1)Cl)CC(=O)O 1P00101E [0,1,0,0,0,0|3,0,0]=4 264 B13R1.132 N[C@H](c1ccc(cc1)Cl)CC(=O)O 1P00IHXM [0,1,0,0,0,0|3,0,0]=4 265 B13R1.132 N[C@H](c1ccc(cc1)F)CC(=O)N 1P019UMT [0,1,0,0,0,0|3,0,0]=4 266 B13R1.132 N[C@H](c1ccc(cc1)F)CC(=O)O 1P0038QX [0,1,0,0,0,0|3,0,0]=4 267 B13R1.132 N[C@H](c1ccc(cc1)F)CC(=O)O 1P01PE0X [0,1,0,0,0,0|3,0,0]=4 268 B13R1.132 O=C(c1ccc(cc1)Br)CC(=O)C 1P00BY0M [0,1,0,0,0,0|2,0,1]=4 269 B13R1.132 O=C(c1ccc(cc1)Cl)CC(=O)C 1P00EAX4 [0,1,0,0,0,0|2,0,1]=4 270 B13R1.132 O=C(c1ccc(cc1)F)CC(=O)C 1P002ZJW [0,1,0,0,0,0|2,0,1]=4 271 B13R1.132 OC(=O)CC(c1ccc(cc1)O)N 1P00EADC [0,1,0,0,0,0|3,0,0]=4 272 B13R1.132 OC(=O)CC(c1ccc(cc1)O)O 1P01JMPL [0,1,0,0,0,0|3,0,0]=4 273 B13R1.132 OC(=O)CC(c1ccc(nc1)N)C 1P027UN3 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.132 OC(=O)C[C@@H](c1ccc(cc1)O)N 1P00IA8N [0,1,0,0,0,0|3,0,0]=4 275 B13R1.132 OC(=O)C[C@H](c1ccc(cc1)O)N 1P005NIH [0,1,0,0,0,0|3,0,0]=4 276 B13R1.132 OC(c1ccc(cc1)Cl)CC(=O)O 1P019UKB [0,1,0,0,0,0|3,0,0]=4 277 B13R1.132 OC(c1ccc(cc1)F)CC(=O)O 1P019YS2 [0,1,0,0,0,0|3,0,0]=4 278 B13R1.147 CC(=O)CC(=O)c1cccc(c1)C 1P01GO1N [0,1,0,0,0,0|2,0,1]=4 279 B13R1.147 CC(=O)CC(=O)c1cccc(c1)Cl 1P000YLF [0,1,0,0,0,0|2,0,1]=4 280 B13R1.147 CC(=O)NC(c1cccc(c1)N)C 1P00J1B3 [0,1,0,0,0,0|1,0,0]=2 281 B13R1.147 NC(=O)C[C@@H](c1cccc(c1)Cl)N 1P019YUE [0,1,0,0,0,0|3,0,0]=4 282 B13R1.147 NC(=O)C[C@H](c1cccc(c1)Cl)N 1P019YT2 [0,1,0,0,0,0|3,0,0]=4 283 B13R1.147 OC(=O)CC(c1cccc(c1)Br)C 1P028IXT [0,1,0,0,0,0|2,0,0]=3 284 B13R1.147 OC(=O)CC(c1cccc(c1)Br)N 1P000EOK [0,1,0,0,0,0|3,0,0]=4 285 B13R1.147 OC(=O)CC(c1cccc(c1)C)C 1P01DWKY [0,1,0,0,0,0|2,0,0]=3 286 B13R1.147 OC(=O)CC(c1cccc(c1)Cl)N 1P003JBF [0,1,0,0,0,0|3,0,0]=4 287 B13R1.147 OC(=O)CC(c1cccc(c1)F)C 1P01AJGA [0,1,0,0,0,0|2,0,0]=3 288 B13R1.147 OC(=O)CC(c1cccc(c1)F)N 1P000EOJ [0,1,0,0,0,0|3,0,0]=4 289 B13R1.147 OC(=O)CC(c1cccc(c1)F)N 1P01ELY2 [0,1,0,0,0,0|3,0,0]=4 290 B13R1.147 OC(=O)CC(c1cccc(c1)F)O 1P01A34G [0,1,0,0,0,0|3,0,0]=4 291 B13R1.147 OC(=O)CC(c1cccc(c1)I)N 1P01C8A5 [0,1,0,0,0,0|3,0,0]=4 292 B13R1.147 OC(=O)CC(c1cccc(c1)N)N 1P028JOS [0,1,0,0,0,0|3,0,0]=4 293 B13R1.147 OC(=O)CC(c1cccc(c1)O)N 1P002RYS [0,1,0,0,0,0|3,0,0]=4 294 B13R1.147 OC(=O)CC(c1cccc(c1)O)O 1P007G55 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.147 OC(=O)C[C@@H](c1cccc(c1)Br)N 1P002UM2 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.147 OC(=O)C[C@@H](c1cccc(c1)C)N 1P00ICHM [0,1,0,0,0,0|3,0,0]=4 297 B13R1.147 OC(=O)C[C@@H](c1cccc(c1)Cl)N 1P00IDBA [0,1,0,0,0,0|3,0,0]=4 298 B13R1.147 OC(=O)C[C@@H](c1cccc(c1)Cl)N 1P028MD9 [0,1,0,0,0,0|3,0,0]=4 299 B13R1.147 OC(=O)C[C@@H](c1cccc(c1)Cl)O 1P01DJGP [0,1,0,0,0,0|3,0,0]=4 300 B13R1.147 OC(=O)C[C@@H](c1cccc(c1)F)N 1P00ICPV [0,1,0,0,0,0|3,0,0]=4 301 B13R1.147 OC(=O)C[C@@H](c1cccc(c1)I)N 1P01BRJB [0,1,0,0,0,0|3,0,0]=4 302 B13R1.147 OC(=O)C[C@@H](c1cccc(c1)O)N 1P00ICES [0,1,0,0,0,0|3,0,0]=4 303 B13R1.147 OC(=O)C[C@H](c1cccc(c1)Br)N 1P00IDFU [0,1,0,0,0,0|3,0,0]=4 304 B13R1.147 OC(=O)C[C@H](c1cccc(c1)C)N 1P00ID0T [0,1,0,0,0,0|3,0,0]=4 305 B13R1.147 OC(=O)C[C@H](c1cccc(c1)Cl)N 1P002SVX [0,1,0,0,0,0|3,0,0]=4 306 B13R1.147 OC(=O)C[C@H](c1cccc(c1)Cl)N 1P028MLQ [0,1,0,0,0,0|3,0,0]=4 307 B13R1.147 OC(=O)C[C@H](c1cccc(c1)Cl)O 1P01KLK0 [0,1,0,0,0,0|3,0,0]=4 308 B13R1.147 OC(=O)C[C@H](c1cccc(c1)F)N 1P00ICPW [0,1,0,0,0,0|3,0,0]=4 309 B13R1.147 OC(=O)C[C@H](c1cccc(c1)I)N 1P01FIVF [0,1,0,0,0,0|3,0,0]=4 310 B13R1.147 OC(=O)\C=C(\c1cccc(c1)Cl)/C 1P005AXI [0,1,0,0,0,0|2,0,1]=4 311 B13R1.152 BrC(C(C(=O)O)Br)c1ccccc1 1P003FXI [0,1,0,0,0,0|3,0,0]=4 312 B13R1.152 CC(C(=O)C(=O)N)c1ccccc1 1P023SFC [0,1,0,0,0,0|2,0,0]=3 313 B13R1.152 CC(C(=O)c1ccccc1)C(=O)C 1P00FAR0 [0,1,0,0,0,0|2,0,1]=4 314 B13R1.152 CC(C(C(=O)N)N)c1ccccc1 1P01ALN8 [0,1,0,0,0,0|2,0,0]=3 315 B13R1.152 CC(C(C(=O)O)N)c1ccccc1 1P0033JS [0,1,0,0,0,0|2,0,0]=3 316 B13R1.152 CC(C(C(=O)O)O)c1ccccc1 1P01AAAE [0,1,0,0,0,0|2,0,0]=3 317 B13R1.152 CC([C@@H](C(=O)O)N)c1ccccc1 1P006XQ1 [0,1,0,0,0,0|2,0,0]=3 318 B13R1.152 CN(C(=C)c1ccccc1)C(=O)C 1P0285X6 [0,1,0,0,0,0|1,0,2]=4 319 B13R1.152 CN(C(=O)C(=O)O)c1ccccc1 1P009EA6 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.152 CN(N(C(=O)C)C)c1ccccc1 1P01BHXQ [0,1,0,0,0,0|2,0,0]=3 321 B13R1.152 C[C@H]([C@H](C(=O)O)N)c1ccccc1 1P01FCTL [0,1,0,0,0,0|2,0,0]=3 322 B13R1.152 NC(C(C(=O)O)C)c1ccccc1 1P019T7T [0,1,0,0,0,0|3,0,0]=4 323 B13R1.152 N[C@H]([C@@H](C(=O)O)O)c1ccccc1 1P00DG9J [0,1,0,0,0,0|3,0,0]=4 324 B13R1.152 N[C@H]([C@H](C(=O)O)O)c1ccccc1 1P0010UH [0,1,0,0,0,0|3,0,0]=4 325 B13R1.152 OC(C(C(=O)O)N)c1ccccc1 1P00VVQW [0,1,0,0,0,0|3,0,0]=4 326 B13R1.152 OC([C@@H](C(=O)O)N)c1ccccc1 1P002JMK [0,1,0,0,0,0|3,0,0]=4 327 B13R1.152 O[C@@H]([C@@H](C(=O)O)N)c1ccccc1 1P019E16 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1P00EG73 [0,1,0,0,0,0|2,0,1]=4 329 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1P00EG6G [0,1,0,0,0,0|2,0,1]=4 330 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1P00EG6C [0,1,0,0,0,0|2,0,1]=4 331 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1P0073N4 [0,1,0,0,0,0|2,0,1]=4 332 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1P001X51 [0,1,0,0,0,0|2,0,1]=4 333 B13R1.201 CC(=O)NC(=O)c1ccccc1O 1P00D8XI [0,1,0,0,0,0|2,0,1]=4 334 B13R1.201 CC(CC(c1ccccc1N)C)C 1P00IMIB [0,1,0,0,0,0|2,0,1]=4 335 B13R1.201 NC(=O)C[C@@H](c1ccccc1Cl)N 1P019UMS [0,1,0,0,0,0|3,0,0]=4 336 B13R1.201 NC(=O)C[C@H](c1ccccc1Cl)N 1P019YT3 [0,1,0,0,0,0|3,0,0]=4 337 B13R1.201 OC(=O)C=C(c1ccccc1Cl)C 1P00HAX9 [0,1,0,0,0,0|2,0,1]=4 338 B13R1.201 OC(=O)C=C(c1ccccc1F)C 1P00HCX4 [0,1,0,0,0,0|2,0,1]=4 339 B13R1.201 OC(=O)CC(c1ccccc1Br)C 1P00IC18 [0,1,0,0,0,0|2,0,0]=3 340 B13R1.201 OC(=O)CC(c1ccccc1Br)N 1P000EOM [0,1,0,0,0,0|3,0,0]=4 341 B13R1.201 OC(=O)CC(c1ccccc1C)C 1P01AJDL [0,1,0,0,0,0|2,0,0]=3 342 B13R1.201 OC(=O)CC(c1ccccc1C)N 1P005Z1Y [0,1,0,0,0,0|3,0,0]=4 343 B13R1.201 OC(=O)CC(c1ccccc1C)N 1P023TSB [0,1,0,0,0,0|3,0,0]=4 344 B13R1.201 OC(=O)CC(c1ccccc1Cl)C 1P00I56H [0,1,0,0,0,0|2,0,0]=3 345 B13R1.201 OC(=O)CC(c1ccccc1Cl)N 1P003JBE [0,1,0,0,0,0|3,0,0]=4 346 B13R1.201 OC(=O)CC(c1ccccc1F)C 1P01AA2J [0,1,0,0,0,0|2,0,0]=3 347 B13R1.201 OC(=O)CC(c1ccccc1F)N 1P000EOL [0,1,0,0,0,0|3,0,0]=4 348 B13R1.201 OC(=O)CC(c1ccccc1O)N 1P00EAGZ [0,1,0,0,0,0|3,0,0]=4 349 B13R1.201 OC(=O)C[C@@H](c1ccccc1Br)N 1P002UM3 [0,1,0,0,0,0|3,0,0]=4 350 B13R1.201 OC(=O)C[C@@H](c1ccccc1C)N 1P008QW8 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.201 OC(=O)C[C@@H](c1ccccc1C)N 1P00DL06 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.201 OC(=O)C[C@@H](c1ccccc1Cl)N 1P003AAP [0,1,0,0,0,0|3,0,0]=4 353 B13R1.201 OC(=O)C[C@@H](c1ccccc1F)N 1P007Z7R [0,1,0,0,0,0|3,0,0]=4 354 B13R1.201 OC(=O)C[C@@H](c1ccccc1O)N 1P01XCE8 [0,1,0,0,0,0|3,0,0]=4 355 B13R1.201 OC(=O)C[C@H](c1ccccc1Br)N 1P00ICWJ [0,1,0,0,0,0|3,0,0]=4 356 B13R1.201 OC(=O)C[C@H](c1ccccc1C)N 1P005Z58 [0,1,0,0,0,0|3,0,0]=4 357 B13R1.201 OC(=O)C[C@H](c1ccccc1C)N 1P028G32 [0,1,0,0,0,0|3,0,0]=4 358 B13R1.201 OC(=O)C[C@H](c1ccccc1Cl)N 1P00ICXJ [0,1,0,0,0,0|3,0,0]=4 359 B13R1.201 OC(=O)C[C@H](c1ccccc1F)N 1P00HYDT [0,1,0,0,0,0|3,0,0]=4 360 B13R1.201 OC(=O)C[C@H](c1ccccc1O)N 1P0063GP [0,1,0,0,0,0|3,0,0]=4 361 B13R1.201 OC(=O)\C=C(\c1ccccc1C)/C 1P01XKOR [0,1,0,0,0,0|2,0,1]=4 362 B13R1.347 CC(=CC(c1ccccc1)(N)C)C 1P028I6H [0,1,0,0,0,0|2,0,0]=3 363 B13R1.347 CC(=O)CC(c1ccccc1)(C)C 1P008PSC [0,1,0,0,0,0|1,0,0]=2 364 B13R1.347 CC(=O)CS(=O)(=O)c1ccccc1 1P003OHX [0,1,0,0,0,0|3,0,0]=4 365 B13R1.347 CC(CC(c1ccccc1)(C)C)N 1P00C2M4 [0,1,0,0,0,0|2,0,1]=4 366 B13R1.347 CC(CC(c1ccccc1)(C)C)N 1P00J2K0 [0,1,0,0,0,0|2,0,1]=4 367 B13R1.347 CC(CC(c1ccccc1)(C)C)O 1P0029E8 [0,1,0,0,0,0|1,0,2]=4 368 B13R1.347 CC(CC(c1ccccc1)(N)C)C 1P028F87 [0,1,0,0,0,0|2,0,1]=4 369 B13R1.347 NC(=S)NC(c1ccccc1)(C)C 1P01XBSC [0,1,0,0,0,0|2,1,0]=4 370 B13R1.347 OC(=O)CC(c1ccccc1)(C)C 1P0003X6 [0,1,0,0,0,0|2,0,0]=3 371 B13R1.347 OC(=O)CC(c1ccccc1)(F)F 1P01B6PI [0,1,0,0,0,0|3,0,0]=4 372 B13R1.347 OC(=O)CC(c1ccccc1)(O)C 1P01A5UL [0,1,0,0,0,0|2,0,0]=3 373 B13R1.347 [O-]C(=O)CC(c1ccccn1)(C)C 1P0287XZ [0,1,0,0,0,0|3,0,0]=4 374 B13R1.352 CC(c1ccccc1)CS(=O)(=O)Cl 1P019ZTQ [0,1,0,0,0,0|3,0,0]=4 375 B13R1.352 CC(c1ccccc1)CS(=O)(=O)N 1P019ZWD [0,1,0,0,0,0|3,0,0]=4 376 B13R1.352 C[C@@H](c1ccccn1)NS(=O)(=O)C 1P01C5Y4 [0,1,0,0,0,0|3,0,0]=4 377 B13R1.352 NC(c1ccccc1)CS(=O)(=O)C 1P019U8T [0,1,0,0,0,0|3,0,0]=4 378 B13R1.352 OC(c1ccccc1)CS(=O)(=O)C 1P01A8OC [0,1,0,0,0,0|3,0,0]=4 379 B13R1.352 O[I](c1ccccc1)OS(=O)(=O)C 1P003D8B [0,1,0,0,0,0|3,0,0]=4 380 B13R1.713 BrCC(c1ccccc1)OC(C)C 1P01ALRA [0,1,0,0,0,0|1,0,1]=3 381 B13R1.713 C#CC(c1ccccc1)CC(=O)O 1P027W0F [0,1,0,0,0,0|2,0,1]=4 382 B13R1.713 C#CC(c1ccccc1)OC(=O)N 1P00CJM0 [0,1,0,0,0,0|1,0,1]=3 383 B13R1.713 C=CC(c1ccccc1)CC(=O)O 1P01A3IO [0,1,0,0,0,0|2,0,1]=4 384 B13R1.713 CCC(c1ccccc1)CC(=O)O 1P00EGQI [0,1,0,0,0,0|2,0,0]=3 385 B13R1.713 CCC(c1ccccc1)NC(C)C 1P01AY39 [0,1,0,0,0,0|2,0,1]=4 386 B13R1.713 CCN(c1ccccc1)CC(=O)O 1P019WNP [0,1,0,0,0,0|3,0,0]=4 387 B13R1.713 CNC(c1ccccc1)CC(=O)N 1P01BHJI [0,1,0,0,0,0|2,0,0]=3 388 B13R1.713 CNC(c1ccccc1)CC(=O)O 1P005Y95 [0,1,0,0,0,0|2,0,0]=3 389 B13R1.713 CNC(c1ccccc1)CN(C)C 1P00G9QH [0,1,0,0,0,0|3,0,0]=4 390 B13R1.713 N#CC(c1ccccc1)CC(=O)N 1P028BWO [0,1,0,0,0,0|2,0,1]=4 391 B13R1.713 N#CC(c1ccccc1)CC(=O)O 1P001IZ4 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.713 N#CC(c1ccccc1)OC(=O)C 1P003O8G [0,1,0,0,0,0|0,0,1]=2 393 B13R1.713 NCC(c1ccccc1)CC(=O)O 1P003149 [0,1,0,0,0,0|2,0,0]=3 394 B13R1.713 NCC(c1ccccc1)CC(=O)O 1P00HBHZ [0,1,0,0,0,0|2,0,0]=3 395 B13R1.713 NCC(c1ccccc1)CC(O)C 1P01A07I [0,1,0,0,0,0|1,0,2]=4 396 B13R1.713 NCC(c1ccccc1)CN(C)C 1P01BEAZ [0,1,0,0,0,0|3,0,0]=4 397 B13R1.713 NCC(c1ccccc1)CN(C)C 1P028IK4 [0,1,0,0,0,0|3,0,0]=4 398 B13R1.713 NCC(c1ccncc1)CC(=O)O 1P01EM2J [0,1,0,0,0,0|3,0,0]=4 399 B13R1.713 NC[C@H](c1ccccc1)CC(=O)O 1P00DM6A [0,1,0,0,0,0|2,0,0]=3 400 B13R1.713 O=CC(c1ccccc1)OC(C)C 1P01ALWV [0,1,0,0,0,0|1,0,2]=4 401 B13R1.713 OCC(c1ccccc1)CC(=O)[O-] 1P024XNS [0,1,0,0,0,0|2,0,0]=3 402 B13R1.713 OCC(c1ccccc1)NC(=O)C 1P01DWQ7 [0,1,0,0,0,0|1,0,0]=2 403 B13R1.713 OCC(c1ccccc1)OC(C)C 1P01ALMW [0,1,0,0,0,0|1,0,1]=3 404 B13R1.713 OC[C@@H](c1ccccc1)NC(=O)C 1P005Q0D [0,1,0,0,0,0|1,0,0]=2 405 B13R1.713 OC[C@@H](c1ccccc1)NC(C)C 1P003CPT [0,1,0,0,0,0|2,0,1]=4 406 B13R2.10 CC1COC(O1)c2ccccc2 1P00I5D9 [0,0,0,1,0,0|2,0,1]=4 407 B13R2.10 CC1NCC(C1)c2ccccc2 1P005YSV [0,0,0,1,0,0|2,0,1]=4 408 B13R2.10 C[C@H]1CCC(N1)c2ccccc2 1P00IL8R [0,0,0,1,0,0|2,0,1]=4 409 B13R2.10 Cc1ncc(o1)c2ccccc2 1P00D0KR [0,0,0,1,0,0|1,0,2]=4 410 B13R2.10 Cc1nnc(o1)c2ccccc2 1P00CM1I [0,0,0,1,0,0|2,0,1]=4 411 B13R2.10 NC1=NN(CC1)c2ccccc2 1P003JBS [0,0,0,1,0,0|3,0,0]=4 412 B13R2.10 N[C@@H]1CC[C@@H](C1)c2ccccc2 1P01C2M4 [0,0,0,1,0,0|2,0,1]=4 413 B13R2.10 O=C1CCC(=C1)c2ccccc2 1P00CLF2 [0,0,0,1,0,0|1,0,1]=3 414 B13R2.10 O=C1CCC(C1)c2ccccc2 1P003A7Y [0,0,0,1,0,0|1,0,0]=2 415 B13R2.10 O=C1CCC(N1)c2ccccc2 1P00BGKA [0,0,0,1,0,0|1,0,0]=2 416 B13R2.10 O=C1CCC(O1)c2ccccc2 1P003R7A [0,0,0,1,0,0|0,0,0]=1 417 B13R2.10 O=C1CCN(C1)c2ccccc2 1P000Y9H [0,0,0,1,0,0|2,0,0]=3 418 B13R2.10 O=C1CCN(N1)c2ccccc2 1P00IHFX [0,0,0,1,0,0|2,0,0]=3 419 B13R2.10 O=C1CC[C@@H](N1)c2ccccc2 1P0202GN [0,0,0,1,0,0|1,0,0]=2 420 B13R2.10 O=C1CC[C@H](N1)c2ccccc2 1P01JUX4 [0,0,0,1,0,0|1,0,0]=2 421 B13R2.10 O=C1CN=C(N1)c2ccccc2 1P01BVJD [0,0,0,1,0,0|2,0,1]=4 422 B13R2.10 O=C1CN=C(O1)c2ccccc2 1P000QAZ [0,0,0,1,0,0|1,0,1]=3 423 B13R2.10 O=C1COC(C1)c2ccccc2 1P027Y9B [0,0,0,1,0,0|2,0,0]=3 424 B13R2.10 O=C1NCC(=C1)c2ccccc2 1P01C698 [0,0,0,1,0,0|2,0,1]=4 425 B13R2.10 O=C1NCC(C1)c2ccccc2 1P000Q57 [0,0,0,1,0,0|2,0,0]=3 426 B13R2.10 O=C1NCC(C1)c2ccccn2 1P01A99Y [0,0,0,1,0,0|3,0,0]=4 427 B13R2.10 O=C1NCC(C1)c2cccnc2 1P00DFCI [0,0,0,1,0,0|3,0,0]=4 428 B13R2.10 O=C1NCC(C1)c2ccncc2 1P01FMGM [0,0,0,1,0,0|3,0,0]=4 429 B13R2.10 O=C1NCC(N1)c2ccccc2 1P00C3FD [0,0,0,1,0,0|2,0,0]=3 430 B13R2.10 O=C1NCC(O1)c2ccccc2 1P00G49F [0,0,0,1,0,0|1,0,0]=2 431 B13R2.10 O=C1NC[C@@H](C1)c2ccccc2 1P00IBIN [0,0,0,1,0,0|2,0,0]=3 432 B13R2.10 O=C1NC[C@@H](O1)c2ccccc2 1P0285H0 [0,0,0,1,0,0|1,0,0]=2 433 B13R2.10 O=C1NC[C@H](O1)c2ccccc2 1P01DUKE [0,0,0,1,0,0|1,0,0]=2 434 B13R2.10 O=C1NNC(C1)c2ccccc2 1P000UXZ [0,0,0,1,0,0|3,0,0]=4 435 B13R2.10 O=C1OCC(=C1)c2ccccc2 1P001PY0 [0,0,0,1,0,0|2,0,1]=4 436 B13R2.10 O=C1OCC(C1)c2ccccc2 1P009OKM [0,0,0,1,0,0|2,0,0]=3 437 B13R2.10 O=C1OCC(N1)c2ccccc2 1P005HEV [0,0,0,1,0,0|2,0,0]=3 438 B13R2.10 O=C1OCC(N1)c2ccccn2 1P028WVV [0,0,0,1,0,0|3,0,0]=4 439 B13R2.10 O=C1OCC(O1)c2ccccc2 1P00DE85 [0,0,0,1,0,0|1,0,0]=2 440 B13R2.10 O=C1OC[C@@H](N1)c2ccccc2 1P0032WS [0,0,0,1,0,0|2,0,0]=3 441 B13R2.10 O=C1OC[C@H](N1)c2ccccc2 1P0032UC [0,0,0,1,0,0|2,0,0]=3 442 B13R2.10 O=C1SCC(=C1)c2ccccc2 1P005PH7 [0,0,0,1,0,0|2,0,1]=4 443 B13R2.10 O=C1SCC(N1)c2ccccc2 1P00IBPF [0,0,0,1,0,0|2,0,0]=3 444 B13R2.10 O=c1[nH]nc(o1)c2ccccc2 1P000QAY [0,0,0,1,0,0|2,0,1]=4 445 B13R2.10 O=c1onc(o1)c2ccccc2 1P0201WC [0,0,0,1,0,0|2,0,1]=4 446 B13R2.10 OC1CCC(C1)c2ccccc2 1P006WTX [0,0,0,1,0,0|1,0,2]=4 447 B13R2.10 S=C1OC[C@@H](N1)c2ccccc2 1P002FF7 [0,0,0,1,0,0|2,0,1]=4 448 B13R2.10 S=C1OC[C@H](N1)c2ccccc2 1P003CR3 [0,0,0,1,0,0|2,0,1]=4 449 B13R2.10 S=C1SC[C@@H](N1)c2ccccc2 1P00I1ZZ [0,0,0,1,0,0|2,1,0]=4 450 B13R2.10 S=C1SC[C@H](N1)c2ccccc2 1P008SVY [0,0,0,1,0,0|2,1,0]=4 451 B13R2.238 NC1CC(C1)(C)c2ccccc2 1P01ABLI [0,0,0,1,0,0|2,0,1]=4 452 B13R2.238 NC1CC(C1)(C)c2ccccc2 1P01AE28 [0,0,0,1,0,0|2,0,1]=4 453 B13R2.238 O=C1CC(C1)(C)c2ccccc2 1P00AOIQ [0,0,0,1,0,0|1,0,0]=2 454 B13R2.328 C1C(=O)OC(=O)c2c1cccn2 1P01FL71 [0,0,0,1,0,0|2,0,1]=4 455 B13R2.328 CC1CC(C)c2c(N1)cccc2 1P0073JT [0,0,0,1,0,0|2,0,1]=4 456 B13R2.328 CC1NC(C)c2c(C1)cccc2 1P028E2K [0,0,0,1,0,0|2,0,1]=4 457 B13R2.328 Cc1cc(C)c2c(n1)cccc2 1P000Q4M [0,0,0,1,0,0|2,0,1]=4 458 B13R2.328 Cc1cc2ccccc2c(c1)C 1P003E14 [0,0,0,1,0,0|2,0,1]=4 459 B13R2.328 Cc1nc2ccccc2c(=O)o1 1P00DF1O [0,0,0,1,0,0|2,0,1]=4 460 B13R2.328 Cc1nc2ccccc2c(n1)C 1P005W5C [0,0,0,1,0,0|2,0,1]=4 461 B13R2.328 O=C1CC(C)c2c(N1)cccc2 1P0031FX [0,0,0,1,0,0|2,0,0]=3 462 B13R2.328 O=C1CC(N)c2c(N1)cccc2 1P00J1VO [0,0,0,1,0,0|3,0,0]=4 463 B13R2.328 O=C1CN(C)c2c(N1)cccc2 1P006MMW [0,0,0,1,0,0|3,0,0]=4 464 B13R2.328 O=C1NC(=O)c2c(C1)cccc2 1P00DAKL [0,0,0,1,0,0|2,0,1]=4 465 B13R2.328 O=C1OC(=O)c2c(C1)cccc2 1P0035GP [0,0,0,1,0,0|1,0,1]=3 466 B13R2.328 O=c1cc(C)c2c([nH]1)cccc2 1P003A5G [0,0,0,1,0,0|2,0,1]=4 467 B13R2.328 O=c1cc(C)c2c(o1)cccc2 1P00EK8W [0,0,0,1,0,0|2,0,1]=4 468 B13R2.328 O=c1oc(=O)c2c([nH]1)cccc2 1P0035I4 [0,0,0,1,0,0|2,0,1]=4 469 B13R2.423 CC(C1CC1c2ccccc2)N 1P019XM2 [0,0,0,1,0,0|2,0,1]=4 470 B13R2.423 CC([C@@H]1C[C@H]1c2ccccc2)N 1P01B9JG [0,0,0,1,0,0|2,0,1]=4 471 B13R2.423 ClC(=O)[C@@H]1C[C@H]1c2ccccc2 1P003VDF [0,0,0,1,0,0|2,0,0]=3 472 B13R2.423 OC(=O)C1CC1c2ccccc2 1P00EC5Y [0,0,0,1,0,0|2,0,0]=3 473 B13R2.423 OC(=O)C1CC1c2ccccn2 1P003F9C [0,0,0,1,0,0|3,0,0]=4 474 B13R2.423 OC(=O)C1CC1c2cccnc2 1P0005UZ [0,0,0,1,0,0|3,0,0]=4 475 B13R2.423 OC(=O)C1CC1c2ccncc2 1P00JQ1X [0,0,0,1,0,0|3,0,0]=4 476 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2ccccc2 1P006AHI [0,0,0,1,0,0|2,0,0]=3 477 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2cccnc2 1P00JOOD [0,0,0,1,0,0|3,0,0]=4 478 B13R2.423 OC(=O)[C@@H]1C[C@@H]1c2ccncc2 1P028U6H [0,0,0,1,0,0|3,0,0]=4 479 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccccc2 1P00366E [0,0,0,1,0,0|2,0,0]=3 480 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2cccnc2 1P00FGKV [0,0,0,1,0,0|3,0,0]=4 481 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2cccnc2 1P028DIA [0,0,0,1,0,0|3,0,0]=4 482 B13R2.423 OC(=O)[C@@H]1C[C@H]1c2ccncc2 1P01C2R7 [0,0,0,1,0,0|3,0,0]=4 483 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccccc2 1P002MD0 [0,0,0,1,0,0|2,0,0]=3 484 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccccn2 1P01K8Q6 [0,0,0,1,0,0|3,0,0]=4 485 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2cccnc2 1P001T5Y [0,0,0,1,0,0|3,0,0]=4 486 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2cccnc2 1P028NSH [0,0,0,1,0,0|3,0,0]=4 487 B13R2.423 OC(=O)[C@H]1C[C@@H]1c2ccncc2 1P028RE4 [0,0,0,1,0,0|3,0,0]=4 488 B13R2.423 OC(=O)[C@H]1C[C@H]1c2ccccc2 1P00CCIK [0,0,0,1,0,0|2,0,0]=3 489 B13R2.690 CC(c1ccccc1)NC2CC2 1P01BAM8 [0,0,0,1,0,0|2,0,1]=4 490 B13R2.12159 CC1NS(=O)(=O)c2c1cccc2 1P003FZM [0,0,0,1,0,0|3,0,0]=4 491 B11R1.36 BrC(c1ccccc1)C(=O)C 1P002MCS [0,0,0,0,1,0|1,0,0]=2 492 B11R1.36 BrC(c1ccccc1)C(=O)O 1P003O8M [0,0,0,0,1,0|2,0,0]=3 493 B11R1.36 BrC(c1ccccc1)C(C)C 1P019ZQP [0,0,0,0,1,0|2,0,1]=4 494 B11R1.36 C=C(c1ccccc1)C(=O)O 1P0033W1 [0,0,0,0,1,0|1,0,2]=4 495 B11R1.36 CC(=C(C)C)c1ccccc1 1P005FQH [0,0,0,0,1,0|1,0,1]=3 496 B11R1.36 CC(=O)N(c1ccccn1)C 1P00EKLE [0,0,0,0,1,0|2,0,0]=3 497 B11R1.36 CC(C(c1ccccn1)C)C 1P01EW46 [0,0,0,0,1,0|2,0,1]=4 498 B11R1.36 CC(c1ccccc1)C(=N)N 1P00ID61 [0,0,0,0,1,0|2,0,0]=3 499 B11R1.36 CC(c1ccccc1)C(=O)C 1P005863 [0,0,0,0,1,0|0,0,0]=1 500 B11R1.36 CC(c1ccccc1)C(=O)N 1P01DYW4 [0,0,0,0,1,0|1,0,0]=2 501 B11R1.36 CC(c1ccccc1)C(=O)O 1P003Q9M [0,0,0,0,1,0|1,0,0]=2 502 B11R1.36 CC(c1ccccc1)C(C)C 1P003BVB [0,0,0,0,1,0|1,0,1]=3 503 B11R1.36 CC(c1ccccc1)C(N)C 1P019TZS [0,0,0,0,1,0|1,0,1]=3 504 B11R1.36 CC(c1ccccc1)C(O)C 1P00DNX0 [0,0,0,0,1,0|0,0,2]=3 505 B11R1.36 CC(c1ccncc1)C(=O)[O-] 1P01C5DY [0,0,0,0,1,0|2,0,0]=3 506 B11R1.36 CC(c1ccncc1)C(C)C 1P01FF85 [0,0,0,0,1,0|2,0,1]=4 507 B11R1.36 CC(c1cncnc1)C(=O)O 1P01BEFY [0,0,0,0,1,0|3,0,0]=4 508 B11R1.36 CC(c1cncnc1)C(=O)O 1P01BEFZ [0,0,0,0,1,0|3,0,0]=4 509 B11R1.36 CC(c1ncccn1)C(=O)O 1P00508B [0,0,0,0,1,0|3,0,0]=4 510 B11R1.36 CC(c1ncccn1)C(=O)[O-] 1P01AN4W [0,0,0,0,1,0|3,0,0]=4 511 B11R1.36 CC(c1ncccn1)C(=O)[O-] 1P01X0ZM [0,0,0,0,1,0|3,0,0]=4 512 B11R1.36 CN(c1ccccc1)C(=N)N 1P019SM4 [0,0,0,0,1,0|3,0,0]=4 513 B11R1.36 CN(c1ccccc1)C(=O)C 1P003TNP [0,0,0,0,1,0|1,0,0]=2 514 B11R1.36 CN(c1ccccc1)C(=O)Cl 1P003TOV [0,0,0,0,1,0|2,0,0]=3 515 B11R1.36 CN(c1ccccc1)C(=O)N 1P00E08N [0,0,0,0,1,0|2,0,0]=3 516 B11R1.36 CN(c1ccccc1)C(=S)N 1P003TOW [0,0,0,0,1,0|2,1,0]=4 517 B11R1.36 C[C@@H](c1ccccc1)C(=O)O 1P003CXR [0,0,0,0,1,0|1,0,0]=2 518 B11R1.36 C[C@@H](c1ccccc1)N(C)C 1P003CV1 [0,0,0,0,1,0|2,0,0]=3 519 B11R1.36 C[C@H](c1ccccc1)C(=O)N 1P009AQG [0,0,0,0,1,0|1,0,0]=2 520 B11R1.36 C[C@H](c1ccccc1)C(=O)O 1P003CJO [0,0,0,0,1,0|1,0,0]=2 521 B11R1.36 C[C@H](c1ccccc1)N(C)C 1P003CMT [0,0,0,0,1,0|2,0,0]=3 522 B11R1.36 ClC(=O)N(c1ccccn1)C 1P027YWH [0,0,0,0,1,0|3,0,0]=4 523 B11R1.36 ClC(c1ccccc1)C(=O)C 1P00DQWI [0,0,0,0,1,0|1,0,0]=2 524 B11R1.36 ClC(c1ccccc1)C(=O)Cl 1P002XUX [0,0,0,0,1,0|2,0,0]=3 525 B11R1.36 ClC(c1ccccc1)C(=O)N 1P00FMLD [0,0,0,0,1,0|2,0,0]=3 526 B11R1.36 ClC(c1ccccc1)C(=O)O 1P0033NY [0,0,0,0,1,0|2,0,0]=3 527 B11R1.36 ClC(c1ccccc1)C(C)C 1P01AM0B [0,0,0,0,1,0|2,0,1]=4 528 B11R1.36 ClN(c1ccccc1)C(=O)C 1P003TCX [0,0,0,0,1,0|2,0,0]=3 529 B11R1.36 Cl[C@@H](c1ccccc1)C(=O)O 1P00C23B [0,0,0,0,1,0|2,0,0]=3 530 B11R1.36 FC(c1ccccc1)C(=O)O 1P001Q6K [0,0,0,0,1,0|2,0,0]=3 531 B11R1.36 NC(=O)C(c1ccccn1)N 1P01ANHW [0,0,0,0,1,0|3,0,0]=4 532 B11R1.36 NC(=O)N(c1cccnc1)C 1P01B28U [0,0,0,0,1,0|3,0,0]=4 533 B11R1.36 NC(c1ccccc1)C(=O)C 1P00BZXU [0,0,0,0,1,0|1,0,0]=2 534 B11R1.36 NC(c1ccccc1)C(=O)N 1P003GTB [0,0,0,0,1,0|2,0,0]=3 535 B11R1.36 NC(c1ccccc1)C(=O)N 1P019YJK [0,0,0,0,1,0|2,0,0]=3 536 B11R1.36 NC(c1ccccc1)C(=O)O 1P003BUF [0,0,0,0,1,0|2,0,0]=3 537 B11R1.36 NC(c1ccccc1)C(C)C 1P0039ZZ [0,0,0,0,1,0|2,0,1]=4 538 B11R1.36 NC(c1ccccc1)C(C)C 1P006JF3 [0,0,0,0,1,0|2,0,1]=4 539 B11R1.36 NC(c1ccccc1)C(O)C 1P00DJHE [0,0,0,0,1,0|1,0,2]=4 540 B11R1.36 NC(c1ccccc1)C(O)C 1P01B7HY [0,0,0,0,1,0|1,0,2]=4 541 B11R1.36 NN(c1ccccc1)C(=O)C 1P01G7GO [0,0,0,0,1,0|2,0,0]=3 542 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P0035GT [0,0,0,0,1,0|2,0,0]=3 543 B11R1.36 N[C@@H](c1ccccc1)C(=O)N 1P00EBWG [0,0,0,0,1,0|2,0,0]=3 544 B11R1.36 N[C@@H](c1ccccc1)C(=O)O 1P003RNB [0,0,0,0,1,0|2,0,0]=3 545 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P00395D [0,0,0,0,1,0|2,0,1]=4 546 B11R1.36 N[C@@H](c1ccccc1)C(C)C 1P007NHP [0,0,0,0,1,0|2,0,1]=4 547 B11R1.36 N[C@@H](c1ccccc1)[C@@H](O)C 1P01FSMK [0,0,0,0,1,0|1,0,2]=4 548 B11R1.36 N[C@@H](c1ccccc1)[C@H](O)C 1P01DE8C [0,0,0,0,1,0|1,0,2]=4 549 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P003POK [0,0,0,0,1,0|2,0,0]=3 550 B11R1.36 N[C@H](c1ccccc1)C(=O)N 1P00IBVP [0,0,0,0,1,0|2,0,0]=3 551 B11R1.36 N[C@H](c1ccccc1)C(=O)O 1P003CPF [0,0,0,0,1,0|2,0,0]=3 552 B11R1.36 N[C@H](c1ccccc1)C(=O)O 1P00BK11 [0,0,0,0,1,0|2,0,0]=3 553 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P005NMW [0,0,0,0,1,0|2,0,1]=4 554 B11R1.36 N[C@H](c1ccccc1)C(C)C 1P006GBW [0,0,0,0,1,0|2,0,1]=4 555 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P00IFXM [0,0,0,0,1,0|1,0,2]=4 556 B11R1.36 N[C@H](c1ccccc1)[C@@H](O)C 1P01OSYC [0,0,0,0,1,0|1,0,2]=4 557 B11R1.36 N[C@H](c1ccccc1)[C@H](O)C 1P01DEDQ [0,0,0,0,1,0|1,0,2]=4 558 B11R1.36 O=C(c1ccccc1)C(=O)C 1P003BIO [0,0,0,0,1,0|1,0,1]=3 559 B11R1.36 O=C(c1ccccc1)C(=O)Cl 1P007MP4 [0,0,0,0,1,0|2,0,1]=4 560 B11R1.36 O=C(c1ccccc1)C(=O)O 1P00IB9R [0,0,0,0,1,0|2,0,1]=4 561 B11R1.36 O=C(c1ccccc1)C(=O)[O-] 1P006ZS3 [0,0,0,0,1,0|2,0,1]=4 562 B11R1.36 OC(=O)C(c1ccccn1)N 1P003GT2 [0,0,0,0,1,0|3,0,0]=4 563 B11R1.36 OC(=O)C(c1cccnc1)C 1P00IGF2 [0,0,0,0,1,0|2,0,0]=3 564 B11R1.36 OC(=O)C(c1cccnc1)N 1P00EADJ [0,0,0,0,1,0|3,0,0]=4 565 B11R1.36 OC(=O)C(c1cccnc1)N 1P00IG20 [0,0,0,0,1,0|3,0,0]=4 566 B11R1.36 OC(=O)C(c1cccnc1)N 1P019XJQ [0,0,0,0,1,0|3,0,0]=4 567 B11R1.36 OC(=O)C(c1cccnc1)O 1P00DNB5 [0,0,0,0,1,0|3,0,0]=4 568 B11R1.36 OC(=O)[C@@H](c1cccnc1)O 1P028RLW [0,0,0,0,1,0|3,0,0]=4 569 B11R1.36 OC(c1ccccc1)C(=O)C 1P006OD2 [0,0,0,0,1,0|1,0,0]=2 570 B11R1.36 OC(c1ccccc1)C(=O)N 1P003QAV [0,0,0,0,1,0|2,0,0]=3 571 B11R1.36 OC(c1ccccc1)C(=O)O 1P003790 [0,0,0,0,1,0|2,0,0]=3 572 B11R1.36 OC(c1ccccc1)C(=O)[O-] 1P000AQ7 [0,0,0,0,1,0|2,0,0]=3 573 B11R1.36 OC(c1ccccc1)C(C)C 1P003I25 [0,0,0,0,1,0|2,0,1]=4 574 B11R1.36 OC(c1ccncc1)C(=O)[O-] 1P0293JF [0,0,0,0,1,0|3,0,0]=4 575 B11R1.36 O[C@@H](c1ccccc1)C(=O)N 1P003CYI [0,0,0,0,1,0|2,0,0]=3 576 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P000Q83 [0,0,0,0,1,0|2,0,0]=3 577 B11R1.36 O[C@@H](c1ccccc1)C(=O)O 1P0035JL [0,0,0,0,1,0|2,0,0]=3 578 B11R1.36 O[C@@H](c1ccccc1)C(C)C 1P001LS8 [0,0,0,0,1,0|2,0,1]=4 579 B11R1.36 O[C@H](c1ccccc1)C(=O)N 1P003CKR [0,0,0,0,1,0|2,0,0]=3 580 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P000Q82 [0,0,0,0,1,0|2,0,0]=3 581 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P0032UD [0,0,0,0,1,0|2,0,0]=3 582 B11R1.36 O[C@H](c1ccccc1)C(=O)O 1P01JVEL [0,0,0,0,1,0|2,0,0]=3 583 B11R1.36 O[C@H](c1ccccc1)C(C)C 1P007HNE [0,0,0,0,1,0|2,0,1]=4 584 B11R1.36 SC(c1ccccc1)C(=O)O 1P00E0CY [0,0,0,0,1,0|2,0,0]=3 585 B11R1.36 SC(c1ccccc1)C(C)C 1P0286I7 [0,0,0,0,1,0|2,0,1]=4 586 B11R1.36 [O-]C(=O)C(c1ccccn1)C 1P01BFWO [0,0,0,0,1,0|2,0,0]=3 587 B11R1.36 [O-]C(=O)C(c1ccccn1)F 1P01BI6I [0,0,0,0,1,0|3,0,0]=4 588 B11R1.36 [O-]C(=O)C(c1ccccn1)O 1P01BG8Q [0,0,0,0,1,0|3,0,0]=4 589 B11R1.36 [O-]C(=O)C(c1cccnc1)C 1P028SSQ [0,0,0,0,1,0|2,0,0]=3 590 B11R1.36 [O-]C(=O)C(c1ccncn1)C 1P0282D1 [0,0,0,0,1,0|3,0,0]=4 591 B11R1.36 [O-]C(=O)C(c1cnccn1)C 1P01BY2T [0,0,0,0,1,0|3,0,0]=4 592 B11R1.77 CC(n1cccc1)CC(=O)O 1P01AB5Q [0,0,0,0,1,0|3,0,0]=4 593 B11R1.77 OC(=O)CC(c1ccco1)C 1P01BVGY [0,0,0,0,1,0|3,0,0]=4 594 B13R1.45 CC(=O)OCC(=O)c1ccccn1 1P01WK93 [0,0,0,0,0,1|2,0,1]=4 595 B13R1.45 CC(c1ccccc1)CCC(=O)O 1P01A0ZE [0,0,0,0,0,1|2,0,0]=3 596 B13R1.45 CC(c1ccccc1)NCC(C)C 1P0284SF [0,0,0,0,0,1|2,0,1]=4 597 B13R1.45 CN(c1ccccc1)CCC(=O)O 1P00CZWC [0,0,0,0,0,1|3,0,0]=4 598 B13R1.45 CN(c1ccccc1)CCC(=O)O 1P01AGZW [0,0,0,0,0,1|3,0,0]=4 599 B13R1.45 C[C@@H](c1ccccc1)NCC(=O)O 1P003CZ3 [0,0,0,0,0,1|2,0,0]=3 600 B13R1.45 C[C@@H](c1ccccc1)OCC(=O)O 1P01WZUR [0,0,0,0,0,1|1,0,0]=2 601 B13R1.45 C[C@H](c1ccccc1)NCC(=O)N 1P01A02F [0,0,0,0,0,1|2,0,0]=3 602 B13R1.45 C[C@H](c1ccccc1)NCC(=O)O 1P003CNB [0,0,0,0,0,1|2,0,0]=3 603 B13R1.45 NC(c1ccccc1)CCC(=O)O 1P000487 [0,0,0,0,0,1|3,0,0]=4 604 B13R1.45 NC(c1ccccc1)CCC(=O)O 1P0017ZI [0,0,0,0,0,1|3,0,0]=4 605 B13R1.45 N[C@@H](c1ccccc1)CCC(=O)O 1P0003ZN [0,0,0,0,0,1|3,0,0]=4 606 B13R1.45 N[C@H](c1ccccc1)CCC(=O)O 1P00EKFM [0,0,0,0,0,1|3,0,0]=4 607 B13R1.45 O=C(c1ccccc1)COC(=O)C 1P003U4G [0,0,0,0,0,1|1,0,1]=3 608 B13R1.45 O=C(c1ccccc1)NNC(=O)C 1P009IT5 [0,0,0,0,0,1|2,0,1]=4 609 B13R1.45 O=C(c1ccccc1)OCC(=O)C 1P00FHDE [0,0,0,0,0,1|1,0,1]=3 610 B13R1.45 O=C(c1ccccc1)OCC(=O)Cl 1P019GMX [0,0,0,0,0,1|2,0,1]=4 611 B13R1.45 O=C(c1ccccc1)ON=C(C)C 1P003O47 [0,0,0,0,0,1|2,0,1]=4 612 B13R1.45 OC(c1ccccc1)CNC(=O)C 1P019UKA [0,0,0,0,0,1|2,0,0]=3 613 B13R1.45 OC(c1ccccc1)CNC(=O)N 1P002QNS [0,0,0,0,0,1|3,0,0]=4 614 B13R1.45 OC(c1ccccc1)COC(=O)N 1P0039JG [0,0,0,0,0,1|2,0,0]=3 615 B13R1.348 CC(Cc1ccccc1)NC(=O)C 1P001IX1 [0,0,0,0,0,1|1,0,0]=2 616 B13R1.348 CC(Cc1ccccc1)OC(=O)C 1P002LSM [0,0,0,0,0,1|0,0,0]=1 617 B13R1.348 CC(Nc1ccccc1)CC(C)C 1P01AY2J [0,0,0,0,0,1|2,0,1]=4 618 B13R1.348 CC(Oc1ccccc1)CC(=O)O 1P00F7G9 [0,0,0,0,0,1|2,0,0]=3 619 B13R1.348 CN(Cc1ccccc1)CC(=O)O 1P00C8YQ [0,0,0,0,0,1|3,0,0]=4 620 B13R1.348 CN(Cc1ccccc1)CC(=O)O 1P019Y5V [0,0,0,0,0,1|3,0,0]=4 621 B13R1.348 NC(Cc1ccccc1)CC(=C)C 1P0288EN [0,0,0,0,0,1|3,0,0]=4 622 B13R1.348 NC(Cc1ccccc1)CC(=O)N 1P028C6W [0,0,0,0,0,1|3,0,0]=4 623 B13R1.348 NC(Cc1ccccc1)CC(=O)O 1P001NG1 [0,0,0,0,0,1|3,0,0]=4 624 B13R1.348 NC(Cc1ccccc1)CC(=O)O 1P019TO9 [0,0,0,0,0,1|3,0,0]=4 625 B13R1.348 N[C@@H](Cc1ccccc1)CC(=O)O 1P0018JV [0,0,0,0,0,1|3,0,0]=4 626 B13R1.348 N[C@@H](Cc1ccccc1)CC(=O)O 1P002SXI [0,0,0,0,0,1|3,0,0]=4 627 B13R1.348 N[C@H](Cc1ccccc1)CC(=O)O 1P000WB7 [0,0,0,0,0,1|3,0,0]=4 628 B13R1.348 N[C@H](Cc1ccccc1)CC(=O)O 1P0038R1 [0,0,0,0,0,1|3,0,0]=4 629 B13R1.348 O=C(Cc1ccccc1)CC(=O)C 1P00CASX [0,0,0,0,0,1|2,0,1]=4 630 B13R1.348 O=C(Nc1ccccc1)CC(=O)C 1P0006P0 [0,0,0,0,0,1|2,0,1]=4 631 B13R1.348 OC(Cc1ccccc1)CC(=O)O 1P01BCNN [0,0,0,0,0,1|3,0,0]=4 632 B13R1.348 S=C(Nc1ccccc1)CC(=O)C 1P017IH5 [0,0,0,0,0,1|2,0,1]=4 633 B10R1.15 BrCC(c1ccccc1)C 1P003EK8 [2,0,0,0,0,0|1,0,1]=4 634 B10R1.15 BrC[C@@H](c1ccccc1)C 1P0282ZV [2,0,0,0,0,0|1,0,1]=4 635 B10R1.15 BrC[C@H](c1ccccc1)C 1P001FF6 [2,0,0,0,0,0|1,0,1]=4 636 B10R1.15 C=CC(c1ccccc1)Cl 1P003VS1 [2,0,0,0,0,0|1,0,1]=4 637 B10R1.15 C=CC(c1ccccc1)Cl 1P00DC4E [2,0,0,0,0,0|1,0,1]=4 638 B10R1.15 C=CC(c1ccccc1)N 1P00IWY6 [2,0,0,0,0,0|1,0,1]=4 639 B10R1.15 C=CC(c1ccccc1)O 1P00DKHX [2,0,0,0,0,0|1,0,1]=4 640 B10R1.15 C=C[C@@H](c1ccccc1)N 1P01KKJG [2,0,0,0,0,0|1,0,1]=4 641 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KK9A [2,0,0,0,0,0|1,0,1]=4 642 B10R1.15 C=C[C@H](c1ccccc1)N 1P01KKHY [2,0,0,0,0,0|1,0,1]=4 643 B10R1.15 CC(c1ccccc1)C#C 1P00DBLO [2,0,0,0,0,0|0,0,2]=4 644 B10R1.15 CC(c1ccccc1)C#N 1P00242Z [2,0,0,0,0,0|1,0,1]=4 645 B10R1.15 CC(c1ccccc1)[N+]#[C-] 1P001Z7Z [2,0,0,0,0,0|1,0,1]=4 646 B10R1.15 CC=C(c1ccccc1)C 1P002K1A [2,0,0,0,0,0|0,0,1]=3 647 B10R1.15 CCC(c1ccccc1)Br 1P002LSL [2,0,0,0,0,0|1,0,1]=4 648 B10R1.15 CCC(c1ccccc1)C 1P003UP1 [2,0,0,0,0,0|0,0,1]=3 649 B10R1.15 CCC(c1ccccc1)Cl 1P006GET [2,0,0,0,0,0|1,0,1]=4 650 B10R1.15 CCC(c1ccccc1)N 1P003F3H [2,0,0,0,0,0|1,0,1]=4 651 B10R1.15 CCC(c1ccccc1)S 1P01A000 [2,0,0,0,0,0|1,0,1]=4 652 B10R1.15 CC[C@@H](c1ccccc1)N 1P003BFK [2,0,0,0,0,0|1,0,1]=4 653 B10R1.15 CC[C@@H](c1ccccc1)O 1P003CTX [2,0,0,0,0,0|1,0,1]=4 654 B10R1.15 CC[C@H](c1ccccc1)N 1P0032O5 [2,0,0,0,0,0|1,0,1]=4 655 B10R1.15 CC[C@H](c1ccccc1)O 1P003CLI [2,0,0,0,0,0|1,0,1]=4 656 B10R1.15 CNC(c1ccccc1)C 1P0038T3 [2,0,0,0,0,0|1,0,0]=3 657 B10R1.15 CNC(c1ccccc1)C 1P00C63A [2,0,0,0,0,0|1,0,0]=3 658 B10R1.15 CNC(c1ccccn1)C 1P008W2I [2,0,0,0,0,0|2,0,0]=4 659 B10R1.15 CNC(c1ccccn1)C 1P00J3U5 [2,0,0,0,0,0|2,0,0]=4 660 B10R1.15 CNC(c1ccccn1)C 1P019VP7 [2,0,0,0,0,0|2,0,0]=4 661 B10R1.15 CNC(c1cccnc1)C 1P008VWL [2,0,0,0,0,0|2,0,0]=4 662 B10R1.15 CNC(c1cccnc1)C 1P00J3UA [2,0,0,0,0,0|2,0,0]=4 663 B10R1.15 CNC(c1cccnc1)C 1P019VP6 [2,0,0,0,0,0|2,0,0]=4 664 B10R1.15 CNC(c1ccncc1)C 1P001RII [2,0,0,0,0,0|2,0,0]=4 665 B10R1.15 CNC(c1ccncc1)C 1P00J3HT [2,0,0,0,0,0|2,0,0]=4 666 B10R1.15 CNC(c1ccncc1)C 1P00J3UG [2,0,0,0,0,0|2,0,0]=4 667 B10R1.15 CN[C@@H](c1ccccc1)C 1P003CMR [2,0,0,0,0,0|1,0,0]=3 668 B10R1.15 CN[C@@H](c1ccccc1)C 1P01FT1Y [2,0,0,0,0,0|1,0,0]=3 669 B10R1.15 CN[C@@H](c1cccnc1)C 1P01FKUY [2,0,0,0,0,0|2,0,0]=4 670 B10R1.15 CN[C@@H](c1ccncc1)C 1P0281L9 [2,0,0,0,0,0|2,0,0]=4 671 B10R1.15 CN[C@H](c1ccccc1)C 1P003CV3 [2,0,0,0,0,0|1,0,0]=3 672 B10R1.15 CN[C@H](c1ccccc1)C 1P028J6M [2,0,0,0,0,0|1,0,0]=3 673 B10R1.15 CN[C@H](c1cccnc1)C 1P01FKUX [2,0,0,0,0,0|2,0,0]=4 674 B10R1.15 CN[C@H](c1ccncc1)C 1P01FKUZ [2,0,0,0,0,0|2,0,0]=4 675 B10R1.15 CN[C@H](c1ccncc1)C 1P024UA1 [2,0,0,0,0,0|2,0,0]=4 676 B10R1.15 COC(=N)c1ccccc1 1P003SG1 [2,0,0,0,0,0|1,0,1]=4 677 B10R1.15 COC(=O)c1ccccc1 1P00IHWQ [2,0,0,0,0,0|1,0,1]=4 678 B10R1.15 COS(=O)c1ccccc1 1P0035P8 [2,0,0,0,0,0|2,0,0]=4 679 B10R1.15 NC[C@@H](c1ccccc1)C 1P003CRB [2,0,0,0,0,0|1,0,1]=4 680 B10R1.15 NC[C@@H](c1ccccc1)C 1P007LOY [2,0,0,0,0,0|1,0,1]=4 681 B10R1.15 NC[C@H](c1ccccc1)C 1P0021SD [2,0,0,0,0,0|1,0,1]=4 682 B10R1.15 NNC(c1ccccc1)C 1P00O2F0 [2,0,0,0,0,0|2,0,0]=4 683 B10R1.15 NOC(c1ccccc1)C 1P01BCFB [2,0,0,0,0,0|1,0,0]=3 684 B10R1.15 NOC(c1ccccc1)C 1P01BCKY [2,0,0,0,0,0|1,0,0]=3 685 B10R1.15 NO[C@@H](c1ccccc1)C 1P01FJN9 [2,0,0,0,0,0|1,0,0]=3 686 B10R1.15 NO[C@@H](c1ccccn1)C 1P01FJMV [2,0,0,0,0,0|2,0,0]=4 687 B10R1.15 NO[C@@H](c1ccncc1)C 1P028PT8 [2,0,0,0,0,0|2,0,0]=4 688 B10R1.15 NO[C@H](c1ccccc1)C 1P01B4DC [2,0,0,0,0,0|1,0,0]=3 689 B10R1.15 NO[C@H](c1ccccn1)C 1P028T37 [2,0,0,0,0,0|2,0,0]=4 690 B10R1.15 NO[C@H](c1ccncc1)C 1P028JYV [2,0,0,0,0,0|2,0,0]=4 691 B10R1.15 O=CC(=O)c1ccccc1 1P0035XU [2,0,0,0,0,0|1,0,1]=4 692 B10R1.15 O=CC(=O)c1ccccc1 1P0035XV [2,0,0,0,0,0|1,0,1]=4 693 B10R1.15 O=CC(c1ccccc1)C 1P003BQ9 [2,0,0,0,0,0|0,0,0]=2 694 B10R1.15 O=CN(c1ccccc1)C 1P003TOE [2,0,0,0,0,0|1,0,0]=3 695 B10R1.15 O=CN(c1ccccn1)C 1P003TOP [2,0,0,0,0,0|2,0,0]=4 696 B10R1.15 O=NN(c1ccccc1)C 1P003TPQ [2,0,0,0,0,0|2,0,0]=4 697 B10R1.15 OCC(c1ccccc1)C 1P003ON3 [2,0,0,0,0,0|0,0,2]=4 698 B10R1.15 OC[C@@H](c1ccccc1)C 1P002FO5 [2,0,0,0,0,0|0,0,2]=4 699 B10R1.15 OC[C@H](c1ccccc1)C 1P003CUF [2,0,0,0,0,0|0,0,2]=4 700 B10R1.15 ONC(c1ccccc1)C 1P002XUP [2,0,0,0,0,0|1,0,1]=4 701 B10R1.15 SCC(c1ccccc1)C 1P01BGUC [2,0,0,0,0,0|0,1,1]=4 702 B10R1.15 [NH-]C[C@H](c1ccccc1)C 1P00809B [2,0,0,0,0,0|1,0,1]=4 703 B10R1.17 BrCOCc1ccccc1 1P0025GN [2,0,0,0,0,0|1,0,1]=4 704 B10R1.17 C=CCCc1ccccc1 1P003MFS [2,0,0,0,0,0|1,0,1]=4 705 B10R1.17 C=COCc1ccccc1 1P003AEJ [2,0,0,0,0,0|0,0,1]=3 706 B10R1.17 C=NOCc1ccccc1 1P027KVW [2,0,0,0,0,0|1,0,1]=4 707 B10R1.17 CCCCc1ccccc1 1P003P2W [2,0,0,0,0,0|1,0,1]=4 708 B10R1.17 CCNCc1ccccc1 1P003TGS [2,0,0,0,0,0|1,0,1]=4 709 B10R1.17 CNCCc1ccccc1 1P003TP4 [2,0,0,0,0,0|2,0,0]=4 710 B10R1.17 CNCCc1ccccc1 1P00CJS7 [2,0,0,0,0,0|2,0,0]=4 711 B10R1.17 CNNCc1ccccc1 1P007YMP [2,0,0,0,0,0|2,0,0]=4 712 B10R1.17 CNNCc1ccccc1 1P01EKFO [2,0,0,0,0,0|2,0,0]=4 713 B10R1.17 CNOCc1ccccc1 1P005PAZ [2,0,0,0,0,0|1,0,0]=3 714 B10R1.17 CNOCc1ccccc1 1P01A29U [2,0,0,0,0,0|1,0,0]=3 715 B10R1.17 COCCc1ccccc1 1P003C4E [2,0,0,0,0,0|2,0,0]=4 716 B10R1.17 CONCc1ccccc1 1P006Y6C [2,0,0,0,0,0|2,0,0]=4 717 B10R1.17 CONCc1ccccc1 1P01A5XA [2,0,0,0,0,0|2,0,0]=4 718 B10R1.17 ClCOCc1ccccc1 1P0034YY [2,0,0,0,0,0|1,0,1]=4 719 B10R1.17 O=C=NCc1ccccc1 1P0034Z0 [2,0,0,0,0,0|1,0,1]=4 720 B10R1.17 O=CC#Cc1ccccc1 1P003U6O [2,0,0,0,0,0|1,0,1]=4 721 B10R1.17 O=CC=Cc1ccccc1 1P00HAPU [2,0,0,0,0,0|1,0,1]=4 722 B10R1.17 O=CCCc1ccccc1 1P003RFA [2,0,0,0,0,0|1,0,0]=3 723 B10R1.17 O=CCCc1ccccn1 1P00BGWO [2,0,0,0,0,0|2,0,0]=4 724 B10R1.17 O=CCCc1cccnc1 1P00228Y [2,0,0,0,0,0|2,0,0]=4 725 B10R1.17 O=CCCc1ccncc1 1P0075XB [2,0,0,0,0,0|2,0,0]=4 726 B10R1.17 O=CCOc1ccccc1 1P007P8S [2,0,0,0,0,0|2,0,0]=4 727 B10R1.17 O=CNCc1ccccc1 1P003T8E [2,0,0,0,0,0|1,0,0]=3 728 B10R1.17 O=CNNc1ccccc1 1P00IBGB [2,0,0,0,0,0|2,0,0]=4 729 B10R1.17 O=COCc1ccccc1 1P008RMC [2,0,0,0,0,0|0,0,0]=2 730 B10R1.17 O=C[CH]Cc1ccccc1 1P008PN3 [2,0,0,0,0,0|1,0,0]=3 731 B10R1.17 O=C\C=C\c1ccccc1 1P001IPM [2,0,0,0,0,0|1,0,1]=4 732 B12R1.3 C=CCC(c1ccccc1)CO 1P01B37G [1,1,0,0,0,0|1,0,1]=4 733 B12R1.3 CCC(c1ccccc1)NCC 1P019M77 [1,1,0,0,0,0|1,0,1]=4 734 B12R1.3 CCOC(c1ccccc1)C#N 1P01AFW1 [1,1,0,0,0,0|0,0,2]=4 735 B12R1.3 CC[C@@H](c1ccccc1)N=C=O 1P001V1Z [1,1,0,0,0,0|1,0,1]=4 736 B12R1.3 CC[C@H](c1ccccc1)N=C=O 1P001V20 [1,1,0,0,0,0|1,0,1]=4 737 B12R1.3 NCC(c1ccccc1)OCC 1P01BFHK [1,1,0,0,0,0|0,0,1]=3 738 B12R1.3 OCC(c1ccccc1)NCC 1P01AYUQ [1,1,0,0,0,0|1,0,1]=4 739 B12R1.16 CC(c1ccc(cc1)Br)N=C=O 1P002JV3 [1,1,0,0,0,0|1,0,1]=4 740 B12R1.16 CCNC(c1ccc(cc1)F)C 1P019VOC [1,1,0,0,0,0|1,0,1]=4 741 B12R1.16 CCNC(c1ccc(cc1)F)C 1P01A7SG [1,1,0,0,0,0|1,0,1]=4 742 B12R1.16 CCN[C@@H](c1ccc(cc1)Br)C 1P0282NA [1,1,0,0,0,0|1,0,1]=4 743 B12R1.16 CCN[C@H](c1ccc(cc1)Br)C 1P0282TW [1,1,0,0,0,0|1,0,1]=4 744 B12R1.16 C[C@@H](c1ccc(cc1)Br)N=C=O 1P001MAA [1,1,0,0,0,0|1,0,1]=4 745 B12R1.16 C[C@H](c1ccc(cc1)Br)N=C=O 1P003CL2 [1,1,0,0,0,0|1,0,1]=4 746 B12R1.16 O=CNC(c1ccc(cc1)Cl)C 1P01DZNB [1,1,0,0,0,0|1,0,0]=3 747 B12R1.17 CCNC(c1cccc(c1)O)C 1P019NN1 [1,1,0,0,0,0|1,0,1]=4 748 B12R1.30 C=CCNC(c1ccccc1)C 1P01AX3I [1,1,0,0,0,0|1,0,1]=4 749 B12R1.30 CCCNC(c1ccccc1)C 1P00BBYH [1,1,0,0,0,0|1,0,1]=4 750 B12R1.30 CCOCC(c1ccccc1)N 1P01WZT9 [1,1,0,0,0,0|1,0,1]=4 751 B12R1.30 NCCCC(c1ccccc1)C 1P024SFP [1,1,0,0,0,0|1,0,1]=4 752 B12R1.30 O=CC=CN(c1ccccc1)C 1P001HSJ [1,1,0,0,0,0|2,0,0]=4 753 B12R1.30 O=CCOC(=O)c1ccccc1 1P00E944 [1,1,0,0,0,0|1,0,1]=4 754 B12R1.30 OCCN[C@@H](c1ccccc1)C 1P0059K4 [1,1,0,0,0,0|1,0,1]=4 755 B12R1.30 OCCN[C@H](c1ccccc1)C 1P00IC3Y [1,1,0,0,0,0|1,0,1]=4 756 B12R1.34 CCC(C(c1ccccc1)C)N 1P019U5I [1,1,0,0,0,0|1,0,1]=4 757 B12R1.34 CNC(C(c1ccccc1)C)C 1P01AFP5 [1,1,0,0,0,0|2,0,0]=4 758 B12R1.34 COC(=O)C(c1ccccc1)C 1P00C790 [1,1,0,0,0,0|2,0,0]=4 759 B12R1.34 COC(=O)[C@@H](c1ccccc1)C 1P00I772 [1,1,0,0,0,0|2,0,0]=4 760 B12R1.39 C=CCC(c1ccccc1)(O)C 1P003IBR [1,1,0,0,0,0|1,0,1]=4 761 B12R1.39 CCCC(c1ccccc1)(N)C 1P01BKU1 [1,1,0,0,0,0|1,0,1]=4 762 B12R1.39 CNCC(c1ccccc1)(C)C 1P00VUKI [1,1,0,0,0,0|2,0,0]=4 763 B12R1.39 CNCC(c1ccccc1)(F)C 1P028A3P [1,1,0,0,0,0|2,0,0]=4 764 B12R1.39 CNCC(c1ccccc1)(O)C 1P01C4EI [1,1,0,0,0,0|2,0,0]=4 765 B12R1.39 COCC(c1ccccc1)(N)C 1P019UHP [1,1,0,0,0,0|2,0,0]=4 766 B12R1.39 COCC(c1ccccc1)(O)C 1P019UE4 [1,1,0,0,0,0|2,0,0]=4 767 B12R1.39 O=CCC(c1ccccc1)(C)C 1P00EL0L [1,1,0,0,0,0|1,0,0]=3 768 B12R1.308 CONC(c1ccccc1C)C 1P01BCYZ [1,1,0,0,0,0|2,0,0]=4 769 B12R1.308 O=C=NC(c1ccccc1C)C 1P01B3IS [1,1,0,0,0,0|1,0,1]=4 770 B12R1.21 CC(=O)CCc1ccc(cc1)C 1P003KL3 [1,1,0,0,0,0|1,0,0]=3 771 B12R1.21 CC(=O)CCc1ccc(cc1)Cl 1P00C99Q [1,1,0,0,0,0|1,0,0]=3 772 B12R1.21 CC(=O)CCc1ccc(cc1)F 1P00VSVS [1,1,0,0,0,0|1,0,0]=3 773 B12R1.21 CC(=O)CCc1ccc(cc1)I 1P01BGX7 [1,1,0,0,0,0|1,0,0]=3 774 B12R1.21 CC(=O)CCc1ccc(cc1)O 1P003KKN [1,1,0,0,0,0|1,0,0]=3 775 B12R1.21 CC(=O)COc1ccc(cc1)Br 1P007SWC [1,1,0,0,0,0|2,0,0]=4 776 B12R1.21 CC(=O)CSc1ccc(cc1)C 1P000QJ1 [1,1,0,0,0,0|2,0,0]=4 777 B12R1.21 CC(=O)CSc1ccc(cc1)Cl 1P003CC2 [1,1,0,0,0,0|2,0,0]=4 778 B12R1.21 CC(=O)CSc1ccc(cc1)F 1P002ZJR [1,1,0,0,0,0|2,0,0]=4 779 B12R1.21 CC(=O)NCc1ccc(cc1)Br 1P00H519 [1,1,0,0,0,0|1,0,0]=3 780 B12R1.21 CC(=O)NCc1ccc(cc1)F 1P004QJ2 [1,1,0,0,0,0|1,0,0]=3 781 B12R1.21 CC(=O)NCc1ccc(cc1)N 1P01AIH0 [1,1,0,0,0,0|1,0,0]=3 782 B12R1.21 CC(=O)NCc1ccc(cn1)Br 1P027U4J [1,1,0,0,0,0|2,0,0]=4 783 B12R1.21 CC(=O)NCc1ccc(nc1)Cl 1P0021FN [1,1,0,0,0,0|2,0,0]=4 784 B12R1.21 CC(=O)NNc1ccc(cc1)Br 1P00B502 [1,1,0,0,0,0|2,0,0]=4 785 B12R1.21 CC(=O)NNc1ccc(cc1)F 1P01BY4U [1,1,0,0,0,0|2,0,0]=4 786 B12R1.21 CC(=O)OCc1ccc(cc1)C 1P003M83 [1,1,0,0,0,0|0,0,0]=2 787 B12R1.21 CC(=O)OCc1ccc(cc1)Cl 1P003LNI [1,1,0,0,0,0|0,0,0]=2 788 B12R1.21 CC(=O)OCc1ccc(cn1)O 1P028BI5 [1,1,0,0,0,0|1,0,0]=3 789 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Br 1P00CMW7 [1,1,0,0,0,0|1,0,1]=4 790 B12R1.21 CC(=O)\C=C\c1ccc(cc1)Cl 1P003LNL [1,1,0,0,0,0|1,0,1]=4 791 B12R1.21 CC(=O)\C=C\c1ccc(cc1)O 1P003LZY [1,1,0,0,0,0|1,0,1]=4 792 B12R1.21 CC(OCc1ccc(cc1)Br)C 1P0068SS [1,1,0,0,0,0|1,0,1]=4 793 B12R1.21 CC(OCc1ccc(cc1)N)C 1P019XSE [1,1,0,0,0,0|1,0,1]=4 794 B12R1.21 ClC(=O)CCc1ccc(cc1)Cl 1P00DNXA [1,1,0,0,0,0|2,0,0]=4 795 B12R1.21 ClC(=O)OCc1ccc(cc1)Br 1P00F0AY [1,1,0,0,0,0|1,0,0]=3 796 B12R1.21 ClC(=O)OCc1ccc(cc1)F 1P01BKOV [1,1,0,0,0,0|1,0,0]=3 797 B12R1.21 NC(=O)CCc1ccc(cc1)Br 1P01EWZG [1,1,0,0,0,0|2,0,0]=4 798 B12R1.21 NC(=O)CCc1ccc(cc1)F 1P00BLKP [1,1,0,0,0,0|2,0,0]=4 799 B12R1.21 NC(=O)CCc1ccc(cc1)N 1P01AAT8 [1,1,0,0,0,0|2,0,0]=4 800 B12R1.21 NC(=O)CCc1ccc(cc1)O 1P007NI0 [1,1,0,0,0,0|2,0,0]=4 801 B12R1.21 NC(=O)NCc1ccc(cc1)C 1P00DD2R [1,1,0,0,0,0|2,0,0]=4 802 B12R1.21 NC(=O)NCc1ccc(cc1)N 1P00242D [1,1,0,0,0,0|2,0,0]=4 803 B12R1.21 OC(=O)CCc1ccc(cc1)Br 1P001V8C [1,1,0,0,0,0|2,0,0]=4 804 B12R1.21 OC(=O)CCc1ccc(cc1)C 1P001N4H [1,1,0,0,0,0|2,0,0]=4 805 B12R1.21 OC(=O)CCc1ccc(cc1)Cl 1P0039CX [1,1,0,0,0,0|2,0,0]=4 806 B12R1.21 OC(=O)CCc1ccc(cc1)F 1P0033X5 [1,1,0,0,0,0|2,0,0]=4 807 B12R1.21 OC(=O)CCc1ccc(cc1)I 1P001V8D [1,1,0,0,0,0|2,0,0]=4 808 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P007OWB [1,1,0,0,0,0|2,0,0]=4 809 B12R1.21 OC(=O)CCc1ccc(cc1)N 1P01XLU7 [1,1,0,0,0,0|2,0,0]=4 810 B12R1.21 OC(=O)CCc1ccc(cc1)O 1P003IL8 [1,1,0,0,0,0|2,0,0]=4 811 B12R1.21 OC(=O)CCc1ccc(cc1)S 1P003M2K [1,1,0,0,0,0|2,0,0]=4 812 B12R1.27 BrCC(=O)CCc1ccccc1 1P003ELT [1,1,0,0,0,0|1,0,0]=3 813 B12R1.27 BrCC(=O)COc1ccccc1 1P01A1CA [1,1,0,0,0,0|2,0,0]=4 814 B12R1.27 BrCC(=O)NCc1ccccc1 1P00C2NQ [1,1,0,0,0,0|1,0,0]=3 815 B12R1.27 BrCC(=O)OCc1ccccc1 1P003OK7 [1,1,0,0,0,0|0,0,0]=2 816 B12R1.27 BrCC(OCc1ccccc1)C 1P027K7W [1,1,0,0,0,0|1,0,1]=4 817 B12R1.27 C#CC(=O)CCc1ccccc1 1P01BEL7 [1,1,0,0,0,0|1,0,1]=4 818 B12R1.27 C#CC(=O)NCc1ccccc1 1P008F4K [1,1,0,0,0,0|1,0,1]=4 819 B12R1.27 C#CC(=O)OCc1ccccc1 1P001K2Y [1,1,0,0,0,0|0,0,1]=3 820 B12R1.27 C=CC(=O)NCc1ccccc1 1P00120N [1,1,0,0,0,0|1,0,1]=4 821 B12R1.27 C=CC(=O)OCc1ccccc1 1P002QEW [1,1,0,0,0,0|0,0,1]=3 822 B12R1.27 CCC(=O)CCc1ccccc1 1P002JUD [1,1,0,0,0,0|1,0,0]=3 823 B12R1.27 CCC(=O)NNc1ccccc1 1P002JFD [1,1,0,0,0,0|2,0,0]=4 824 B12R1.27 CCC(=O)OCc1ccccc1 1P0016ZO [1,1,0,0,0,0|0,0,0]=2 825 B12R1.27 CNC(=O)CCc1ccccc1 1P006T5B [1,1,0,0,0,0|1,0,0]=3 826 B12R1.27 CNC(=O)CSc1ccccc1 1P01C2IN [1,1,0,0,0,0|2,0,0]=4 827 B12R1.27 CNC(=O)OCc1ccccc1 1P00BG3C [1,1,0,0,0,0|0,0,0]=2 828 B12R1.27 COC(=O)C#Cc1ccccc1 1P003SIQ [1,1,0,0,0,0|1,0,1]=4 829 B12R1.27 COC(=O)C=Cc1ccccc1 1P00HADA [1,1,0,0,0,0|1,0,1]=4 830 B12R1.27 COC(=O)CCc1ccccc1 1P003KCI [1,1,0,0,0,0|1,0,0]=3 831 B12R1.27 COC(=O)CCc1ccccn1 1P002X42 [1,1,0,0,0,0|2,0,0]=4 832 B12R1.27 COC(=O)CCc1cccnc1 1P003S63 [1,1,0,0,0,0|2,0,0]=4 833 B12R1.27 COC(=O)CCc1ccncc1 1P00GTYO [1,1,0,0,0,0|2,0,0]=4 834 B12R1.27 COC(=O)CNc1ccccc1 1P00CCQB [1,1,0,0,0,0|2,0,0]=4 835 B12R1.27 COC(=O)COc1ccccc1 1P003SIO [1,1,0,0,0,0|2,0,0]=4 836 B12R1.27 COC(=O)CSc1ccccc1 1P003RZH [1,1,0,0,0,0|2,0,0]=4 837 B12R1.27 COC(=O)NCc1ccccc1 1P00EDGO [1,1,0,0,0,0|1,0,0]=3 838 B12R1.27 COC(=O)\C=C\c1ccccc1 1P0035PW [1,1,0,0,0,0|1,0,1]=4 839 B12R1.27 ClCC(=O)CCc1ccccc1 1P002K5O [1,1,0,0,0,0|1,0,0]=3 840 B12R1.27 ClCC(=O)COc1ccccc1 1P005WAY [1,1,0,0,0,0|2,0,0]=4 841 B12R1.27 ClCC(=O)NCc1ccccc1 1P003T7T [1,1,0,0,0,0|1,0,0]=3 842 B12R1.27 ClCC(=O)NCc1ccccn1 1P019JXK [1,1,0,0,0,0|2,0,0]=4 843 B12R1.27 ClCC(=O)NCc1cccnc1 1P01ABI8 [1,1,0,0,0,0|2,0,0]=4 844 B12R1.27 ClCC(=O)NCc1ccncc1 1P01DFU4 [1,1,0,0,0,0|2,0,0]=4 845 B12R1.27 ClCC(=O)OCc1ccccc1 1P001CDL [1,1,0,0,0,0|0,0,0]=2 846 B12R1.27 N#CC(=O)OCc1ccccc1 1P003OKR [1,1,0,0,0,0|0,0,1]=3 847 B12R1.27 NCC(=O)CCc1ccccc1 1P028L4B [1,1,0,0,0,0|1,0,0]=3 848 B12R1.27 NCC(=O)NCc1ccccc1 1P0029W4 [1,1,0,0,0,0|1,0,0]=3 849 B12R1.27 NCC(=O)NCc1ccccc1 1P00CM9R [1,1,0,0,0,0|1,0,0]=3 850 B12R1.27 NCC(=O)NCc1ccccn1 1P00BL9G [1,1,0,0,0,0|2,0,0]=4 851 B12R1.27 NCC(=O)NCc1ccccn1 1P019NOX [1,1,0,0,0,0|2,0,0]=4 852 B12R1.27 NCC(=O)NCc1ccncc1 1P00A2Y9 [1,1,0,0,0,0|2,0,0]=4 853 B12R1.27 NCC(=O)NCc1ccncc1 1P0291E8 [1,1,0,0,0,0|2,0,0]=4 854 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNQ [1,1,0,0,0,0|0,0,0]=2 855 B12R1.27 NCC(=O)OCc1ccccc1 1P001ZNT [1,1,0,0,0,0|0,0,0]=2 856 B12R1.27 NCC(=O)OCc1ccccc1 1P002P9Z [1,1,0,0,0,0|0,0,0]=2 857 B12R1.27 NCC(=O)SCc1ccccc1 1P021MDH [1,1,0,0,0,0|0,1,0]=3 858 B12R1.27 NCC(OCc1ccccc1)C 1P02826G [1,1,0,0,0,0|1,0,1]=4 859 B12R1.27 NNC(=O)CCc1ccccc1 1P00BZPV [1,1,0,0,0,0|2,0,0]=4 860 B12R1.27 NNC(=O)NCc1ccccc1 1P00AVUU [1,1,0,0,0,0|2,0,0]=4 861 B12R1.27 NNC(=O)OCc1ccccc1 1P0037SQ [1,1,0,0,0,0|1,0,0]=3 862 B12R1.27 NNC(=O)OCc1ccccc1 1P00BFD7 [1,1,0,0,0,0|1,0,0]=3 863 B12R1.27 O=CC(CCc1ccccc1)C 1P00763O [1,1,0,0,0,0|1,0,1]=4 864 B12R1.27 O=C[C@@H](OCc1ccccc1)C 1P008MT7 [1,1,0,0,0,0|0,0,1]=3 865 B12R1.27 O=NN(CCc1ccccc1)C 1P0011B0 [1,1,0,0,0,0|2,0,0]=4 866 B12R1.27 OCC(=O)NCc1ccccc1 1P00AL9D [1,1,0,0,0,0|1,0,0]=3 867 B12R1.27 OCC(=O)OCc1ccccc1 1P0030DU [1,1,0,0,0,0|0,0,0]=2 868 B12R1.27 OCC(OCc1ccccc1)C 1P003FG0 [1,1,0,0,0,0|0,0,2]=4 869 B12R1.27 OC[C@@H](OCc1ccccc1)C 1P00C9VB [1,1,0,0,0,0|0,0,2]=4 870 B12R1.27 OC[C@H](OCc1ccccc1)C 1P004H33 [1,1,0,0,0,0|0,0,2]=4 871 B12R1.27 ONC(=O)OCc1ccccc1 1P003OL5 [1,1,0,0,0,0|1,0,0]=3 872 B12R1.27 SCC(=O)OCc1ccccc1 1P008QDV [1,1,0,0,0,0|0,0,0]=2 873 B12R1.43 BrC(C(=O)C)Cc1ccccc1 1P01BSOD [1,1,0,0,0,0|1,0,0]=3 874 B12R1.43 BrC(C(=O)Cl)Cc1ccccc1 1P00CNPL [1,1,0,0,0,0|2,0,0]=4 875 B12R1.43 BrC(C(=O)N)Cc1ccccc1 1P01A74E [1,1,0,0,0,0|2,0,0]=4 876 B12R1.43 BrC(C(=O)O)Cc1ccccc1 1P001VON [1,1,0,0,0,0|2,0,0]=4 877 B12R1.43 Br[C@@H](C(=O)O)Cc1ccccc1 1P0070OH [1,1,0,0,0,0|2,0,0]=4 878 B12R1.43 Br[C@H](C(=O)O)Cc1ccccc1 1P00I7EC [1,1,0,0,0,0|2,0,0]=4 879 B12R1.43 C=C(C(=O)O)Cc1ccccc1 1P0033LB [1,1,0,0,0,0|2,0,0]=4 880 B12R1.43 CC(=Cc1ccccc1)C(=O)C 1P002ET2 [1,1,0,0,0,0|1,0,1]=4 881 B12R1.43 CC(=O)N(Cc1cccnc1)C 1P0065KD [1,1,0,0,0,0|2,0,0]=4 882 B12R1.43 CC(C(=O)C)Cc1ccccc1 1P00C216 [1,1,0,0,0,0|1,0,0]=3 883 B12R1.43 CC(C(=O)Cl)Cc1ccccc1 1P01BCIQ [1,1,0,0,0,0|2,0,0]=4 884 B12R1.43 CC(C(=O)O)Cc1ccccc1 1P0003L8 [1,1,0,0,0,0|2,0,0]=4 885 B12R1.43 CN(C(=O)C)Cc1ccccc1 1P00BKNO [1,1,0,0,0,0|1,0,0]=3 886 B12R1.43 CN(C(=O)C)Nc1ccccc1 1P01HYFP [1,1,0,0,0,0|2,0,0]=4 887 B12R1.43 CN(C(=O)Cl)Cc1ccccc1 1P01AFOK [1,1,0,0,0,0|2,0,0]=4 888 B12R1.43 CN(C(=O)N)Cc1ccccc1 1P019V9I [1,1,0,0,0,0|2,0,0]=4 889 B12R1.43 C[C@@H](C(=O)O)Cc1ccccc1 1P01BBO7 [1,1,0,0,0,0|2,0,0]=4 890 B12R1.43 C[C@H](C(=O)O)Cc1ccccc1 1P01BBWK [1,1,0,0,0,0|2,0,0]=4 891 B12R1.43 NC(C(=O)C)Cc1ccccc1 1P00DCG6 [1,1,0,0,0,0|1,0,0]=3 892 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P007VAW [1,1,0,0,0,0|2,0,0]=4 893 B12R1.43 NC(C(=O)N)Cc1ccccc1 1P00AD6I [1,1,0,0,0,0|2,0,0]=4 894 B12R1.43 NC(C(=O)O)Cc1ccccc1 1P003RTV [1,1,0,0,0,0|2,0,0]=4 895 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00D9FU [1,1,0,0,0,0|2,0,0]=4 896 B12R1.43 N[C@@H](C(=O)N)Cc1ccccc1 1P00FAPS [1,1,0,0,0,0|2,0,0]=4 897 B12R1.43 N[C@@H](C(=O)O)Cc1ccccc1 1P00359U [1,1,0,0,0,0|2,0,0]=4 898 B12R1.43 N[C@H](C(=O)N)Cc1ccccc1 1P00IBZV [1,1,0,0,0,0|2,0,0]=4 899 B12R1.43 N[C@H](C(=O)O)C[13c]1[13cH][13cH][13cH][13cH][13cH]1 1P00JOC8 [1,1,0,0,0,0|2,0,0]=4 900 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P001MO4 [1,1,0,0,0,0|2,0,0]=4 901 B12R1.43 N[C@H](C(=O)O)Cc1ccccc1 1P0021PS [1,1,0,0,0,0|2,0,0]=4 902 B12R1.43 O=C(C(=O)O)Cc1ccccc1 1P001OVZ [1,1,0,0,0,0|2,0,0]=4 903 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P000AQT [1,1,0,0,0,0|2,0,0]=4 904 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P00175E [1,1,0,0,0,0|2,0,0]=4 905 B12R1.43 O=C(C(=O)[O-])Cc1ccccc1 1P00I9QJ [1,1,0,0,0,0|2,0,0]=4 906 B12R1.43 OC(C(=O)N)Cc1ccccc1 1P01ADOZ [1,1,0,0,0,0|2,0,0]=4 907 B12R1.43 OC(C(=O)O)Cc1ccccc1 1P004TVQ [1,1,0,0,0,0|2,0,0]=4 908 B12R1.43 O[C@@H](C(=O)O)Cc1ccccc1 1P005FS8 [1,1,0,0,0,0|2,0,0]=4 909 B12R1.43 O[C@H](C(=O)O)Cc1ccccc1 1P00735M [1,1,0,0,0,0|2,0,0]=4 910 B12R1.43 SC(C(=O)O)Cc1ccccc1 1P00GU3B [1,1,0,0,0,0|2,0,0]=4 911 B12R1.43 S[C@@H](C(=O)O)Cc1ccccc1 1P028TTD [1,1,0,0,0,0|2,0,0]=4 912 B12R1.125 CC(=O)CCc1ccccc1Cl 1P01HUV1 [1,1,0,0,0,0|1,0,0]=3 913 B12R1.125 CC(=O)CCc1ccccc1F 1P01AIYU [1,1,0,0,0,0|1,0,0]=3 914 B12R1.125 CC(=O)NCc1ccccc1Br 1P008QXJ [1,1,0,0,0,0|1,0,0]=3 915 B12R1.125 CC(=O)NCc1ccccc1Cl 1P00EMME [1,1,0,0,0,0|1,0,0]=3 916 B12R1.125 CC(=O)NCc1ccccc1N 1P028LKH [1,1,0,0,0,0|1,0,0]=3 917 B12R1.125 CC(=O)NCc1ccccc1O 1P008NEH [1,1,0,0,0,0|1,0,0]=3 918 B12R1.125 CC(=O)NNc1ccccc1F 1P01EKID [1,1,0,0,0,0|2,0,0]=4 919 B12R1.125 CC(OCc1ccccc1N)C 1P019ZZ9 [1,1,0,0,0,0|1,0,1]=4 920 B12R1.125 ClC(=O)CCc1ccccc1Br 1P01EZGG [1,1,0,0,0,0|2,0,0]=4 921 B12R1.125 ClC(=O)OCc1ccccc1Cl 1P003HIJ [1,1,0,0,0,0|1,0,0]=3 922 B12R1.125 ClC(=O)OCc1ccccc1F 1P01B3WB [1,1,0,0,0,0|1,0,0]=3 923 B12R1.125 NC(=O)CCc1ccccc1N 1P01BVV9 [1,1,0,0,0,0|2,0,0]=4 924 B12R1.125 NC(=O)CCc1ccccc1O 1P007P5E [1,1,0,0,0,0|2,0,0]=4 925 B12R1.125 NC(=O)NCc1ccccc1Cl 1P00ISCK [1,1,0,0,0,0|2,0,0]=4 926 B12R1.125 NC(=O)NCc1ccccc1F 1P01AB49 [1,1,0,0,0,0|2,0,0]=4 927 B12R1.125 OC(=O)CCc1ccccc1Br 1P001NLG [1,1,0,0,0,0|2,0,0]=4 928 B12R1.125 OC(=O)CCc1ccccc1C 1P003BQQ [1,1,0,0,0,0|2,0,0]=4 929 B12R1.125 OC(=O)CCc1ccccc1Cl 1P001V8E [1,1,0,0,0,0|2,0,0]=4 930 B12R1.125 OC(=O)CCc1ccccc1F 1P001V8F [1,1,0,0,0,0|2,0,0]=4 931 B12R1.125 OC(=O)CCc1ccccc1I 1P00IKAW [1,1,0,0,0,0|2,0,0]=4 932 B12R1.125 OC(=O)CCc1ccccc1O 1P003IHI [1,1,0,0,0,0|2,0,0]=4 933 B12R1.125 [O-]C(=O)CCc1ccccc1N 1P01JMCU [1,1,0,0,0,0|2,0,0]=4 934 B12R1.226 CC(=CCc1cccc(c1)O)C 1P01B6LC [1,1,0,0,0,0|2,0,0]=4 935 B12R1.226 CC(=O)CCc1cccc(c1)Br 1P00BZYR [1,1,0,0,0,0|1,0,0]=3 936 B12R1.226 CC(=O)CCc1cccc(c1)C 1P019X4A [1,1,0,0,0,0|1,0,0]=3 937 B12R1.226 CC(=O)CCc1cccc(c1)Cl 1P007GH3 [1,1,0,0,0,0|1,0,0]=3 938 B12R1.226 CC(=O)CCc1cccc(c1)F 1P00C98G [1,1,0,0,0,0|1,0,0]=3 939 B12R1.226 CC(=O)NCc1cc(Br)ccn1 1P021MOH [1,1,0,0,0,0|2,0,0]=4 940 B12R1.226 CC(=O)NCc1cccc(c1)Br 1P00C6B3 [1,1,0,0,0,0|1,0,0]=3 941 B12R1.226 CC(=O)NCc1cccc(c1)F 1P009811 [1,1,0,0,0,0|1,0,0]=3 942 B12R1.226 CC(=O)NCc1cccc(c1)N 1P028Q3L [1,1,0,0,0,0|1,0,0]=3 943 B12R1.226 CC(=O)OCc1cccc(c1)F 1P0202B9 [1,1,0,0,0,0|0,0,0]=2 944 B12R1.226 CC(=O)\C=C\c1cccc(c1)Br 1P006TTF [1,1,0,0,0,0|1,0,1]=4 945 B12R1.226 CC(OCc1cccc(c1)Br)C 1P009YXT [1,1,0,0,0,0|1,0,1]=4 946 B12R1.226 CC(OCc1cccc(c1)N)C 1P00VUZP [1,1,0,0,0,0|1,0,1]=4 947 B12R1.226 ClC(=O)OCc1cccc(c1)Cl 1P01AM7P [1,1,0,0,0,0|1,0,0]=3 948 B12R1.226 NC(=O)CCc1cccc(c1)Br 1P00ELSV [1,1,0,0,0,0|2,0,0]=4 949 B12R1.226 NC(=O)NCc1cccc(c1)F 1P00J78M [1,1,0,0,0,0|2,0,0]=4 950 B12R1.226 OC(=O)CCc1cccc(c1)Br 1P003IIS [1,1,0,0,0,0|2,0,0]=4 951 B12R1.226 OC(=O)CCc1cccc(c1)C 1P00C6WI [1,1,0,0,0,0|2,0,0]=4 952 B12R1.226 OC(=O)CCc1cccc(c1)Cl 1P0039CK [1,1,0,0,0,0|2,0,0]=4 953 B12R1.226 OC(=O)CCc1cccc(c1)F 1P003BQS [1,1,0,0,0,0|2,0,0]=4 954 B12R1.226 OC(=O)CCc1cccc(c1)I 1P0038YH [1,1,0,0,0,0|2,0,0]=4 955 B12R1.226 OC(=O)CCc1cccc(c1)N 1P001X6K [1,1,0,0,0,0|2,0,0]=4 956 B12R1.226 OC(=O)CCc1cccc(c1)N 1P008VYA [1,1,0,0,0,0|2,0,0]=4 957 B12R1.226 OC(=O)CCc1cccc(c1)O 1P0033X1 [1,1,0,0,0,0|2,0,0]=4 958 B12R1.891 CS(=O)(=O)NCc1ccccc1 1P00JJR7 [1,1,0,0,0,0|2,0,0]=4 959 B12R1.891 CS(=O)(=O)OCc1ccccc1 1P01C4RT [1,1,0,0,0,0|1,0,0]=3 960 B12R1.891 C[Si](OCc1ccccc1)(C)C 1P001EH3 [1,1,0,0,0,0|1,1,0]=4 961 B12R1.891 NS(=O)(=O)OCc1ccccc1 1P028CWY [1,1,0,0,0,0|2,0,0]=4 962 B12R1.891 OP(=O)(OCc1ccccc1)O 1P01NJ4M [1,1,0,0,0,0|2,0,0]=4 963 B12R1.20 BrC(c1ccc(cc1)Cl)C(=O)O 1P003O8K [0,1,0,0,1,0|2,0,0]=4 964 B12R1.20 BrC(c1ccc(cc1)F)C(=O)N 1P019Q4F [0,1,0,0,1,0|2,0,0]=4 965 B12R1.20 BrC(c1ccc(cc1)F)C(=O)O 1P002YDD [0,1,0,0,1,0|2,0,0]=4 966 B12R1.20 CC(=C)C(c1ccc(cc1)C)O 1P0285PR [0,1,0,0,1,0|2,0,0]=4 967 B12R1.20 CC(=O)C(c1ccc(cc1)C)Br 1P028OSI [0,1,0,0,1,0|1,0,0]=3 968 B12R1.20 CC(c1ccc(cc1)Br)C(=O)N 1P01ENFZ [0,1,0,0,1,0|1,0,0]=3 969 B12R1.20 CC(c1ccc(cc1)Br)C(=O)O 1P00DC2L [0,1,0,0,1,0|1,0,0]=3 970 B12R1.20 CC(c1ccc(cc1)Cl)C(=O)O 1P003FCJ [0,1,0,0,1,0|1,0,0]=3 971 B12R1.20 CC(c1ccc(cc1)F)C(=O)O 1P003FD3 [0,1,0,0,1,0|1,0,0]=3 972 B12R1.20 CC(c1ccc(cc1)I)C(=O)O 1P00CKVO [0,1,0,0,1,0|1,0,0]=3 973 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P00EEDL [0,1,0,0,1,0|1,0,0]=3 974 B12R1.20 CC(c1ccc(cc1)N)C(=O)O 1P01EM3O [0,1,0,0,1,0|1,0,0]=3 975 B12R1.20 CN(c1ccc(cc1)Br)C(=O)C 1P00DBAL [0,1,0,0,1,0|1,0,0]=3 976 B12R1.20 CN(c1ccc(cc1)Br)C(=O)Cl 1P028TW1 [0,1,0,0,1,0|2,0,0]=4 977 B12R1.20 CN(c1ccc(cc1)F)C(=O)Cl 1P01B273 [0,1,0,0,1,0|2,0,0]=4 978 B12R1.20 CN(c1ccc(cc1)N)C(=O)C 1P000PGO [0,1,0,0,1,0|1,0,0]=3 979 B12R1.20 CN(c1ccc(cc1)O)C(=O)C 1P00F000 [0,1,0,0,1,0|1,0,0]=3 980 B12R1.20 CN(c1ccc(cc1)O)C(=O)N 1P01AAUZ [0,1,0,0,1,0|2,0,0]=4 981 B12R1.20 C[C@@H](C1=CC=C(Br)C=C1)C(O)=O 1P01KXOO [0,1,0,0,1,0|1,0,0]=3 982 B12R1.20 C[C@@H](c1ccc(cc1)F)C(=O)O 1P01EKOW [0,1,0,0,1,0|1,0,0]=3 983 B12R1.20 C[C@@H](c1ccc(cc1)N)C(=O)O 1P023Q4E [0,1,0,0,1,0|1,0,0]=3 984 B12R1.20 C[C@H](c1ccc(cc1)Br)C(=O)O 1P01KAL6 [0,1,0,0,1,0|1,0,0]=3 985 B12R1.20 C[C@H](c1ccc(cc1)C)C(=O)O 1P003FDU [0,1,0,0,1,0|1,0,0]=3 986 B12R1.20 C[C@H](c1ccc(cc1)F)C(=O)O 1P01EKMV [0,1,0,0,1,0|1,0,0]=3 987 B12R1.20 C[C@H](c1ccc(cc1)N)C(=O)O 1P00KNLZ [0,1,0,0,1,0|1,0,0]=3 988 B12R1.20 Cc1ccc(cc1)C(=O)C(=O)C 1P01BV4Z [0,1,0,0,1,0|1,0,1]=4 989 B12R1.20 Cc1ccc(cc1)N(C(=O)C)C 1P00F3FS [0,1,0,0,1,0|1,0,0]=3 990 B12R1.20 Cc1ccc(cc1)N(C(=O)C)N 1P0289RT [0,1,0,0,1,0|2,0,0]=4 991 B12R1.20 ClC(=O)C(c1ccc(cc1)Cl)Cl 1P028RD3 [0,1,0,0,1,0|2,0,0]=4 992 B12R1.20 ClC(c1ccc(cc1)Br)C(=O)N 1P01ABIW [0,1,0,0,1,0|2,0,0]=4 993 B12R1.20 ClC(c1ccc(cc1)F)C(=O)C 1P002MZZ [0,1,0,0,1,0|1,0,0]=3 994 B12R1.20 ClC(c1ccc(cc1)F)C(=O)N 1P01AAHM [0,1,0,0,1,0|2,0,0]=4 995 B12R1.20 FC(c1ccc(cc1)C)C(=O)O 1P01UOKD [0,1,0,0,1,0|2,0,0]=4 996 B12R1.20 FC(c1ccc(cc1)Cl)C(=O)O 1P01FPC6 [0,1,0,0,1,0|2,0,0]=4 997 B12R1.20 FC(c1ccc(cc1)F)C(=O)O 1P01DVWA [0,1,0,0,1,0|2,0,0]=4 998 B12R1.20 FC(c1ccc(cc1)I)C(=O)O 1P0293FT [0,1,0,0,1,0|2,0,0]=4 999 B12R1.20 NC(c1ccc(cc1)Br)C(=O)N 1P01A8BO [0,1,0,0,1,0|2,0,0]=4 1000 B12R1.20 NC(c1ccc(cc1)Br)C(=O)N 1P027W1O [0,1,0,0,1,0|2,0,0]=4 1001 B12R1.20 NC(c1ccc(cc1)Br)C(=O)O 1P000ZPI [0,1,0,0,1,0|2,0,0]=4 1002 B12R1.20 NC(c1ccc(cc1)Br)C(=O)O 1P00FHES [0,1,0,0,1,0|2,0,0]=4 1003 B12R1.20 NC(c1ccc(cc1)C)C(=O)O 1P0010XE [0,1,0,0,1,0|2,0,0]=4 1004 B12R1.20 NC(c1ccc(cc1)C)C(=O)O 1P027Z1V [0,1,0,0,1,0|2,0,0]=4 1005 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)N 1P019KLN [0,1,0,0,1,0|2,0,0]=4 1006 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)N 1P01AKZ7 [0,1,0,0,1,0|2,0,0]=4 1007 B12R1.20 NC(c1ccc(cc1)Cl)C(=O)O 1P00IBFY [0,1,0,0,1,0|2,0,0]=4 1008 B12R1.20 NC(c1ccc(cc1)F)C(=O)C 1P01EPFH [0,1,0,0,1,0|1,0,0]=3 1009 B12R1.20 NC(c1ccc(cc1)F)C(=O)N 1P00ACGK [0,1,0,0,1,0|2,0,0]=4 1010 B12R1.20 NC(c1ccc(cc1)F)C(=O)O 1P003LWU [0,1,0,0,1,0|2,0,0]=4 1011 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(=O)O 1P004RAU [0,1,0,0,1,0|2,0,0]=4 1012 B12R1.20 N[C@@H](c1ccc(cc1)Br)C(=O)O 1P01DE3O [0,1,0,0,1,0|2,0,0]=4 1013 B12R1.20 N[C@@H](c1ccc(cc1)C)C(=O)O 1P008UK2 [0,1,0,0,1,0|2,0,0]=4 1014 B12R1.20 N[C@@H](c1ccc(cc1)C)C(=O)O 1P01KKTJ [0,1,0,0,1,0|2,0,0]=4 1015 B12R1.20 N[C@@H](c1ccc(cc1)Cl)C(=O)O 1P0036F2 [0,1,0,0,1,0|2,0,0]=4 1016 B12R1.20 N[C@@H](c1ccc(cc1)F)C(=O)O 1P002C8A [0,1,0,0,1,0|2,0,0]=4 1017 B12R1.20 N[C@H](c1ccc(cc1)Br)C(=O)O 1P009ZVZ [0,1,0,0,1,0|2,0,0]=4 1018 B12R1.20 N[C@H](c1ccc(cc1)Br)C(=O)O 1P01DUMM [0,1,0,0,1,0|2,0,0]=4 1019 B12R1.20 N[C@H](c1ccc(cc1)C)C(=O)O 1P00FHGP [0,1,0,0,1,0|2,0,0]=4 1020 B12R1.20 N[C@H](c1ccc(cc1)Cl)C(=O)O 1P008451 [0,1,0,0,1,0|2,0,0]=4 1021 B12R1.20 N[C@H](c1ccc(cc1)Cl)C(=O)O 1P00D9LT [0,1,0,0,1,0|2,0,0]=4 1022 B12R1.20 N[C@H](c1ccc(cc1)F)C(=O)O 1P001KKC [0,1,0,0,1,0|2,0,0]=4 1023 B12R1.20 N[C@H](c1ccc(cc1)F)C(=O)O 1P003LW2 [0,1,0,0,1,0|2,0,0]=4 1024 B12R1.20 Nc1ccc(nc1)N(C(=O)C)C 1P01C3VK [0,1,0,0,1,0|2,0,0]=4 1025 B12R1.20 O=C(c1ccc(cc1)Cl)C(=O)C 1P008RO5 [0,1,0,0,1,0|1,0,1]=4 1026 B12R1.20 OC(=O)C(c1ccc(cc1)O)C 1P003FD8 [0,1,0,0,1,0|1,0,0]=3 1027 B12R1.20 OC(=O)C(c1ccc(cc1)O)N 1P00IIBK [0,1,0,0,1,0|2,0,0]=4 1028 B12R1.20 OC(=O)C(c1ccc(cc1)O)O 1P000Q5A [0,1,0,0,1,0|2,0,0]=4 1029 B12R1.20 OC(=O)C(c1ccc(cc1)O)O 1P003Q9T [0,1,0,0,1,0|2,0,0]=4 1030 B12R1.20 OC(=O)C(c1ccc(nc1)Cl)C 1P00H42T [0,1,0,0,1,0|2,0,0]=4 1031 B12R1.20 OC(=O)[C@@H](c1ccc(cc1)O)C 1P01ENKQ [0,1,0,0,1,0|1,0,0]=3 1032 B12R1.20 OC(=O)[C@@H](c1ccc(cc1)O)N 1P007O5Y [0,1,0,0,1,0|2,0,0]=4 1033 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)C 1P01EQYU [0,1,0,0,1,0|1,0,0]=3 1034 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)N 1P0034J0 [0,1,0,0,1,0|2,0,0]=4 1035 B12R1.20 OC(=O)[C@H](c1ccc(cc1)O)O 1P009JAJ [0,1,0,0,1,0|2,0,0]=4 1036 B12R1.20 OC(c1ccc(cc1)Br)C(=O)O 1P003LGT [0,1,0,0,1,0|2,0,0]=4 1037 B12R1.20 OC(c1ccc(cc1)C)C(=O)O 1P00AQ8R [0,1,0,0,1,0|2,0,0]=4 1038 B12R1.20 OC(c1ccc(cc1)Cl)C(=O)O 1P003LO4 [0,1,0,0,1,0|2,0,0]=4 1039 B12R1.20 OC(c1ccc(cc1)F)C(=O)O 1P003LW7 [0,1,0,0,1,0|2,0,0]=4 1040 B12R1.20 OC(c1ccc(cc1)N)C(=O)O 1P01A1GU [0,1,0,0,1,0|2,0,0]=4 1041 B12R1.20 OC(c1ccc(cc1)N)C(=O)O 1P02013Q [0,1,0,0,1,0|2,0,0]=4 1042 B12R1.20 OC(c1ccc(cc1)O)C(=O)[O-] 1P00FACZ [0,1,0,0,1,0|2,0,0]=4 1043 B12R1.20 O[C@@H](c1ccc(cc1)Br)C(=O)O 1P00HHRY [0,1,0,0,1,0|2,0,0]=4 1044 B12R1.20 O[C@@H](c1ccc(cc1)C)C(=O)O 1P0282AZ [0,1,0,0,1,0|2,0,0]=4 1045 B12R1.20 O[C@@H](c1ccc(cc1)Cl)C(=O)O 1P005Y97 [0,1,0,0,1,0|2,0,0]=4 1046 B12R1.20 O[C@@H](c1ccc(cc1)F)C(=O)O 1P01XDB0 [0,1,0,0,1,0|2,0,0]=4 1047 B12R1.20 O[C@H](c1ccc(cc1)Br)C(=O)O 1P00BYDC [0,1,0,0,1,0|2,0,0]=4 1048 B12R1.20 O[C@H](c1ccc(cc1)C)C(=O)O 1P003HU9 [0,1,0,0,1,0|2,0,0]=4 1049 B12R1.20 O[C@H](c1ccc(cc1)Cl)C(=O)O 1P0037U2 [0,1,0,0,1,0|2,0,0]=4 1050 B12R1.20 [O-]C(=O)C(c1ccc(cn1)N)C 1P01EM6C [0,1,0,0,1,0|2,0,0]=4 1051 B12R1.124 CC(=O)C(c1ccccc1Br)Br 1P0292SH [0,1,0,0,1,0|1,0,0]=3 1052 B12R1.124 CC(=O)N(c1ccccc1N)C 1P00CCJE [0,1,0,0,1,0|1,0,0]=3 1053 B12R1.124 CC(C(c1ccccc1Cl)C)N 1P01EINU [0,1,0,0,1,0|1,0,1]=4 1054 B12R1.124 CN([C@H](c1ccccc1[S-])C)C 1P028J2E [0,1,0,0,1,0|2,0,0]=4 1055 B12R1.124 ClC(=O)N(c1ccccc1Cl)C 1P028ARK [0,1,0,0,1,0|2,0,0]=4 1056 B12R1.124 NC(=O)C(c1ccccc1F)N 1P01AE8U [0,1,0,0,1,0|2,0,0]=4 1057 B12R1.124 NC(=O)C(c1ccccc1F)N 1P01AJXQ [0,1,0,0,1,0|2,0,0]=4 1058 B12R1.124 O=C(O)C(F)C1=CC=CC=C1F 1P01K6C1 [0,1,0,0,1,0|2,0,0]=4 1059 B12R1.124 OC(=O)C(c1ccccc1Br)Br 1P01JWMC [0,1,0,0,1,0|2,0,0]=4 1060 B12R1.124 OC(=O)C(c1ccccc1Br)C 1P00AOE4 [0,1,0,0,1,0|1,0,0]=3 1061 B12R1.124 OC(=O)C(c1ccccc1Br)F 1P00GSVC [0,1,0,0,1,0|2,0,0]=4 1062 B12R1.124 OC(=O)C(c1ccccc1Br)N 1P00BD3T [0,1,0,0,1,0|2,0,0]=4 1063 B12R1.124 OC(=O)C(c1ccccc1Br)O 1P005H7Z [0,1,0,0,1,0|2,0,0]=4 1064 B12R1.124 OC(=O)C(c1ccccc1C)C 1P01A6R5 [0,1,0,0,1,0|1,0,0]=3 1065 B12R1.124 OC(=O)C(c1ccccc1C)F 1P01NLK6 [0,1,0,0,1,0|2,0,0]=4 1066 B12R1.124 OC(=O)C(c1ccccc1C)N 1P000ZP4 [0,1,0,0,1,0|2,0,0]=4 1067 B12R1.124 OC(=O)C(c1ccccc1C)N 1P00IFAT [0,1,0,0,1,0|2,0,0]=4 1068 B12R1.124 OC(=O)C(c1ccccc1Cl)Br 1P001GE9 [0,1,0,0,1,0|2,0,0]=4 1069 B12R1.124 OC(=O)C(c1ccccc1Cl)C 1P007PJ7 [0,1,0,0,1,0|1,0,0]=3 1070 B12R1.124 OC(=O)C(c1ccccc1Cl)Cl 1P028AEP [0,1,0,0,1,0|2,0,0]=4 1071 B12R1.124 OC(=O)C(c1ccccc1Cl)F 1P01KXH4 [0,1,0,0,1,0|2,0,0]=4 1072 B12R1.124 OC(=O)C(c1ccccc1Cl)N 1P003B40 [0,1,0,0,1,0|2,0,0]=4 1073 B12R1.124 OC(=O)C(c1ccccc1Cl)O 1P003HJ9 [0,1,0,0,1,0|2,0,0]=4 1074 B12R1.124 OC(=O)C(c1ccccc1F)C 1P00FH6T [0,1,0,0,1,0|1,0,0]=3 1075 B12R1.124 OC(=O)C(c1ccccc1F)Cl 1P028530 [0,1,0,0,1,0|2,0,0]=4 1076 B12R1.124 OC(=O)C(c1ccccc1F)N 1P002NNL [0,1,0,0,1,0|2,0,0]=4 1077 B12R1.124 OC(=O)C(c1ccccc1F)N 1P00ICKY [0,1,0,0,1,0|2,0,0]=4 1078 B12R1.124 OC(=O)C(c1ccccc1F)O 1P003HSM [0,1,0,0,1,0|2,0,0]=4 1079 B12R1.124 OC(=O)C(c1ccccc1I)F 1P0293A8 [0,1,0,0,1,0|2,0,0]=4 1080 B12R1.124 OC(=O)C(c1ccccc1I)N 1P01ELXB [0,1,0,0,1,0|2,0,0]=4 1081 B12R1.124 OC(=O)C(c1ccccc1I)O 1P01DT8K [0,1,0,0,1,0|2,0,0]=4 1082 B12R1.124 OC(=O)C(c1ccccc1O)N 1P002R85 [0,1,0,0,1,0|2,0,0]=4 1083 B12R1.124 OC(=O)C(c1ccncc1C)C 1P028LC0 [0,1,0,0,1,0|2,0,0]=4 1084 B12R1.124 OC(=O)C(n1ccccc1=O)C 1P01DISN [0,1,0,0,1,0|2,0,0]=4 1085 B12R1.124 OC(=O)[C@@H](c1ccccc1C)N 1P01KL0M [0,1,0,0,1,0|2,0,0]=4 1086 B12R1.124 OC(=O)[C@@H](c1ccccc1Cl)N 1P008FMJ [0,1,0,0,1,0|2,0,0]=4 1087 B12R1.124 OC(=O)[C@@H](c1ccccc1Cl)O 1P003CJE [0,1,0,0,1,0|2,0,0]=4 1088 B12R1.124 OC(=O)[C@@H](c1ccccc1F)N 1P01KKG9 [0,1,0,0,1,0|2,0,0]=4 1089 B12R1.124 OC(=O)[C@@H](c1ccccc1F)O 1P00BXTS [0,1,0,0,1,0|2,0,0]=4 1090 B12R1.124 OC(=O)[C@@H](c1ccccc1O)N 1P024G33 [0,1,0,0,1,0|2,0,0]=4 1091 B12R1.124 OC(=O)[C@H](c1ccccc1Br)N 1P000WEC [0,1,0,0,1,0|2,0,0]=4 1092 B12R1.124 OC(=O)[C@H](c1ccccc1C)N 1P023PAX [0,1,0,0,1,0|2,0,0]=4 1093 B12R1.124 OC(=O)[C@H](c1ccccc1Cl)N 1P001GND [0,1,0,0,1,0|2,0,0]=4 1094 B12R1.124 OC(=O)[C@H](c1ccccc1Cl)O 1P003CX7 [0,1,0,0,1,0|2,0,0]=4 1095 B12R1.124 OC(=O)[C@H](c1ccccc1F)N 1P0201ZK [0,1,0,0,1,0|2,0,0]=4 1096 B12R1.124 OC(=O)[C@H](c1ccccc1F)O 1P0020LV [0,1,0,0,1,0|2,0,0]=4 1097 B12R1.124 OC(=O)[C@H](c1ccccc1O)N 1P024G2K [0,1,0,0,1,0|2,0,0]=4 1098 B12R1.124 [O-]C(=O)C(c1cccnc1C)C 1P0282I4 [0,1,0,0,1,0|2,0,0]=4 1099 B12R1.124 [O-]C(=O)C(c1ncccc1F)C 1P01BGQ5 [0,1,0,0,1,0|2,0,0]=4 1100 B12R1.124 [O-]C(=O)C(c1ncccc1F)C 1P028C40 [0,1,0,0,1,0|2,0,0]=4 1101 B12R1.225 CC(=O)C(c1cccc(c1)Cl)O 1P004PQB [0,1,0,0,1,0|1,0,0]=3 1102 B12R1.225 CC(c1cccc(n1)Br)C(=O)O 1P028QWY [0,1,0,0,1,0|2,0,0]=4 1103 B12R1.225 CN(C(c1cccc(c1)O)C)C 1P00HB4N [0,1,0,0,1,0|2,0,0]=4 1104 B12R1.225 CN([C@@H](c1cccc(c1)O)C)C 1P004RUZ [0,1,0,0,1,0|2,0,0]=4 1105 B12R1.225 CN([C@H](c1cccc(c1)O)C)C 1P001B70 [0,1,0,0,1,0|2,0,0]=4 1106 B12R1.225 Cc1cccc(c1)N(C(=O)Cl)C 1P005GQ6 [0,1,0,0,1,0|2,0,0]=4 1107 B12R1.225 Fc1cccc(c1)C(=O)C(=O)C 1P01DVEU [0,1,0,0,1,0|1,0,1]=4 1108 B12R1.225 NC(=O)C(c1cccc(c1)Br)Cl 1P01A3ZO [0,1,0,0,1,0|2,0,0]=4 1109 B12R1.225 NC(=O)C(c1cccc(c1)Br)N 1P01A8CC [0,1,0,0,1,0|2,0,0]=4 1110 B12R1.225 NC(=O)C(c1cccc(c1)F)N 1P01KKY3 [0,1,0,0,1,0|2,0,0]=4 1111 B12R1.225 Nc1cccc(c1)N(C(=O)C)C 1P00EJQR [0,1,0,0,1,0|1,0,0]=3 1112 B12R1.225 Nc1cccc(c1)N(C(=O)N)C 1P01BG21 [0,1,0,0,1,0|2,0,0]=4 1113 B12R1.225 O=C(O)C(F)C1=CC=CC(F)=C1 1P01K6BZ [0,1,0,0,1,0|2,0,0]=4 1114 B12R1.225 OC(=O)C(c1cccc(c1)Br)C 1P00I9XV [0,1,0,0,1,0|1,0,0]=3 1115 B12R1.225 OC(=O)C(c1cccc(c1)Br)Cl 1P01BCE7 [0,1,0,0,1,0|2,0,0]=4 1116 B12R1.225 OC(=O)C(c1cccc(c1)Br)F 1P0291R9 [0,1,0,0,1,0|2,0,0]=4 1117 B12R1.225 OC(=O)C(c1cccc(c1)Br)N 1P0052H0 [0,1,0,0,1,0|2,0,0]=4 1118 B12R1.225 OC(=O)C(c1cccc(c1)Br)N 1P01S76W [0,1,0,0,1,0|2,0,0]=4 1119 B12R1.225 OC(=O)C(c1cccc(c1)Br)O 1P006YDP [0,1,0,0,1,0|2,0,0]=4 1120 B12R1.225 OC(=O)C(c1cccc(c1)C)C 1P00ICWE [0,1,0,0,1,0|1,0,0]=3 1121 B12R1.225 OC(=O)C(c1cccc(c1)C)F 1P01NLFK [0,1,0,0,1,0|2,0,0]=4 1122 B12R1.225 OC(=O)C(c1cccc(c1)C)N 1P00DL85 [0,1,0,0,1,0|2,0,0]=4 1123 B12R1.225 OC(=O)C(c1cccc(c1)C)O 1P00EBRY [0,1,0,0,1,0|2,0,0]=4 1124 B12R1.225 OC(=O)C(c1cccc(c1)Cl)Br 1P01BCWP [0,1,0,0,1,0|2,0,0]=4 1125 B12R1.225 OC(=O)C(c1cccc(c1)Cl)C 1P009BXZ [0,1,0,0,1,0|1,0,0]=3 1126 B12R1.225 OC(=O)C(c1cccc(c1)Cl)Cl 1P01DWEP [0,1,0,0,1,0|2,0,0]=4 1127 B12R1.225 OC(=O)C(c1cccc(c1)Cl)F 1P01UO2U [0,1,0,0,1,0|2,0,0]=4 1128 B12R1.225 OC(=O)C(c1cccc(c1)Cl)N 1P003597 [0,1,0,0,1,0|2,0,0]=4 1129 B12R1.225 OC(=O)C(c1cccc(c1)Cl)N 1P009DWM [0,1,0,0,1,0|2,0,0]=4 1130 B12R1.225 OC(=O)C(c1cccc(c1)Cl)O 1P001TTU [0,1,0,0,1,0|2,0,0]=4 1131 B12R1.225 OC(=O)C(c1cccc(c1)F)C 1P00IBYO [0,1,0,0,1,0|1,0,0]=3 1132 B12R1.225 OC(=O)C(c1cccc(c1)F)N 1P0009ZU [0,1,0,0,1,0|2,0,0]=4 1133 B12R1.225 OC(=O)C(c1cccc(c1)F)O 1P00C8J1 [0,1,0,0,1,0|2,0,0]=4 1134 B12R1.225 OC(=O)C(c1cccc(c1)I)F 1P0293BD [0,1,0,0,1,0|2,0,0]=4 1135 B12R1.225 OC(=O)C(c1cccc(c1)I)N 1P028TV1 [0,1,0,0,1,0|2,0,0]=4 1136 B12R1.225 OC(=O)C(c1cccc(c1)I)O 1P024Y56 [0,1,0,0,1,0|2,0,0]=4 1137 B12R1.225 OC(=O)C(c1cccc(c1)N)C 1P01C65S [0,1,0,0,1,0|1,0,0]=3 1138 B12R1.225 OC(=O)C(c1cccc(c1)N)O 1P01A1GT [0,1,0,0,1,0|2,0,0]=4 1139 B12R1.225 OC(=O)C(c1cccc(c1)O)N 1P00BZA4 [0,1,0,0,1,0|2,0,0]=4 1140 B12R1.225 OC(=O)C(c1cccc(c1)O)N 1P00J2ZR [0,1,0,0,1,0|2,0,0]=4 1141 B12R1.225 OC(=O)C(c1cccc(c1)O)O 1P003K16 [0,1,0,0,1,0|2,0,0]=4 1142 B12R1.225 OC(=O)C(c1cncc(c1)F)C 1P01AEGK [0,1,0,0,1,0|2,0,0]=4 1143 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Br)N 1P01JMVQ [0,1,0,0,1,0|2,0,0]=4 1144 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Br)O 1P028TTB [0,1,0,0,1,0|2,0,0]=4 1145 B12R1.225 OC(=O)[C@@H](c1cccc(c1)C)C 1P00BI8D [0,1,0,0,1,0|1,0,0]=3 1146 B12R1.225 OC(=O)[C@@H](c1cccc(c1)C)N 1P002H2J [0,1,0,0,1,0|2,0,0]=4 1147 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)C 1P01DWG0 [0,1,0,0,1,0|1,0,0]=3 1148 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)N 1P00BD95 [0,1,0,0,1,0|2,0,0]=4 1149 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)N 1P00CMOE [0,1,0,0,1,0|2,0,0]=4 1150 B12R1.225 OC(=O)[C@@H](c1cccc(c1)Cl)O 1P003CKO [0,1,0,0,1,0|2,0,0]=4 1151 B12R1.225 OC(=O)[C@@H](c1cccc(c1)F)N 1P00BD9B [0,1,0,0,1,0|2,0,0]=4 1152 B12R1.225 OC(=O)[C@@H](c1cccc(c1)O)N 1P00BIAR [0,1,0,0,1,0|2,0,0]=4 1153 B12R1.225 OC(=O)[C@H](c1cccc(c1)Br)O 1P01R02G [0,1,0,0,1,0|2,0,0]=4 1154 B12R1.225 OC(=O)[C@H](c1cccc(c1)C)C 1P00EKI5 [0,1,0,0,1,0|1,0,0]=3 1155 B12R1.225 OC(=O)[C@H](c1cccc(c1)C)N 1P00954Q [0,1,0,0,1,0|2,0,0]=4 1156 B12R1.225 OC(=O)[C@H](c1cccc(c1)Cl)C 1P01DZBP [0,1,0,0,1,0|1,0,0]=3 1157 B12R1.225 OC(=O)[C@H](c1cccc(c1)Cl)N 1P000JES [0,1,0,0,1,0|2,0,0]=4 1158 B12R1.225 OC(=O)[C@H](c1cccc(c1)Cl)O 1P00I6KT [0,1,0,0,1,0|2,0,0]=4 1159 B12R1.225 OC(=O)[C@H](c1cccc(c1)F)N 1P00359A [0,1,0,0,1,0|2,0,0]=4 1160 B12R1.225 OC(=O)[C@H](c1cccc(c1)O)N 1P005W9S [0,1,0,0,1,0|2,0,0]=4 1161 B12R1.225 [O-][N+](=O)C(c1cccc(c1)F)C 1P028BFZ [0,1,0,0,1,0|2,0,0]=4 1162 B12R1.253 CC(=O)C(c1ccccc1)(C)C 1P0056UC [0,1,0,0,1,0|0,0,0]=2 1163 B12R1.253 CC(=O)C(c1ccccc1)(F)F 1P00CFP5 [0,1,0,0,1,0|1,0,0]=3 1164 B12R1.253 CC(=O)C(c1ccccc1)(N)C 1P028J81 [0,1,0,0,1,0|0,0,0]=2 1165 B12R1.253 CC(C(c1ccccc1)(C)C)N 1P00DOAO [0,1,0,0,1,0|1,0,1]=4 1166 B12R1.253 C[C@H]([C@](c1ccccc1)(O)C)N 1P01PPQY [0,1,0,0,1,0|1,0,1]=4 1167 B12R1.253 ClC(=O)C(c1ccccc1)(C)C 1P01A966 [0,1,0,0,1,0|1,0,0]=3 1168 B12R1.253 ClC(=O)C(c1ccccc1)(F)F 1P01C3NS [0,1,0,0,1,0|2,0,0]=4 1169 B12R1.253 NC(=N)C(c1ccccc1)(O)C 1P01ADJ8 [0,1,0,0,1,0|2,0,0]=4 1170 B12R1.253 NC(=O)C(c1ccccc1)(C)C 1P005CUN [0,1,0,0,1,0|1,0,0]=3 1171 B12R1.253 NC(=O)C(c1ccccc1)(F)F 1P007AJ3 [0,1,0,0,1,0|2,0,0]=4 1172 B12R1.253 NC(=O)C(c1ccccc1)(N)C 1P01A0G7 [0,1,0,0,1,0|1,0,0]=3 1173 B12R1.253 NC(=O)C(c1ccccc1)(N)C 1P01A8W6 [0,1,0,0,1,0|1,0,0]=3 1174 B12R1.253 NC(=S)C(c1ccccc1)(C)C 1P01A4KU [0,1,0,0,1,0|1,1,0]=4 1175 B12R1.253 OC(=O)C(c1ccccc1)(C)C 1P003I2S [0,1,0,0,1,0|1,0,0]=3 1176 B12R1.253 OC(=O)C(c1ccccc1)(Cl)F 1P01BE6D [0,1,0,0,1,0|2,0,0]=4 1177 B12R1.253 OC(=O)C(c1ccccc1)(F)C 1P0284YH [0,1,0,0,1,0|1,0,0]=3 1178 B12R1.253 OC(=O)C(c1ccccc1)(F)F 1P00I7LP [0,1,0,0,1,0|2,0,0]=4 1179 B12R1.253 OC(=O)C(c1ccccc1)(N)C 1P00ICQ5 [0,1,0,0,1,0|1,0,0]=3 1180 B12R1.253 OC(=O)C(c1ccccc1)(O)C 1P003F8P [0,1,0,0,1,0|1,0,0]=3 1181 B12R1.253 OC(=O)C(c1cccnc1)(C)C 1P01A4DH [0,1,0,0,1,0|2,0,0]=4 1182 B12R1.253 OC(=O)C(c1cccnc1)(C)C 1P01DEY9 [0,1,0,0,1,0|2,0,0]=4 1183 B12R1.253 OC(=O)C(c1cccnc1)(N)C 1P028UHH [0,1,0,0,1,0|2,0,0]=4 1184 B12R1.253 OC(=O)[C@@](c1ccccc1)(N)C 1P00BLP9 [0,1,0,0,1,0|1,0,0]=3 1185 B12R1.253 OC(=O)[C@@](c1ccccc1)(N)C 1P00I5JO [0,1,0,0,1,0|1,0,0]=3 1186 B12R1.253 OC(=O)[C@](c1ccccc1)(N)C 1P00HTKU [0,1,0,0,1,0|1,0,0]=3 1187 B12R1.253 OC(=O)[C@](c1ccccc1)(N)C 1P01C1M0 [0,1,0,0,1,0|1,0,0]=3 1188 B12R1.253 [O-]C(=O)C(c1ccccn1)(C)C 1P01B8DW [0,1,0,0,1,0|2,0,0]=4 1189 B12R1.253 [O-]C(=O)C(c1ccccn1)(O)C 1P01BGAR [0,1,0,0,1,0|2,0,0]=4 1190 B12R1.253 [O-]C(=O)C(c1cccnc1)(O)C 1P028VBV [0,1,0,0,1,0|2,0,0]=4 1191 B12R1.253 [O-]C(=O)C(c1ccncc1)(C)C 1P028MKE [0,1,0,0,1,0|2,0,0]=4 1192 B12R1.253 [O-]C(=O)C(c1ccncc1)(O)C 1P028Y4T [0,1,0,0,1,0|2,0,0]=4 1193 B12R1.478 BrCC(c1ccccc1)C(C)C 1P01BM1R [0,1,0,0,1,0|1,0,1]=4 1194 B12R1.478 C=CC(c1ccccc1)C(=O)O 1P01AGCA [0,1,0,0,1,0|1,0,1]=4 1195 B12R1.478 CCC(c1ccccc1)C(=O)Cl 1P003IC1 [0,1,0,0,1,0|1,0,0]=3 1196 B12R1.478 CCC(c1ccccc1)C(=O)N 1P0037CE [0,1,0,0,1,0|1,0,0]=3 1197 B12R1.478 CCC(c1ccccc1)C(=O)O 1P003IBY [0,1,0,0,1,0|1,0,0]=3 1198 B12R1.478 CCC(c1cccnc1)C(=O)O 1P0291TN [0,1,0,0,1,0|2,0,0]=4 1199 B12R1.478 CCN(c1ccccc1)C(=O)C 1P00DC3M [0,1,0,0,1,0|1,0,0]=3 1200 B12R1.478 CCN(c1ccccc1)C(=O)Cl 1P00CUKT [0,1,0,0,1,0|2,0,0]=4 1201 B12R1.478 CC[C@@H](c1ccccc1)C(=O)O 1P003CXQ [0,1,0,0,1,0|1,0,0]=3 1202 B12R1.478 CC[C@H](c1ccccc1)C(=O)O 1P003CJN [0,1,0,0,1,0|1,0,0]=3 1203 B12R1.478 CNC(c1ccccc1)C(=O)O 1P002W4Z [0,1,0,0,1,0|1,0,0]=3 1204 B12R1.478 CNC(c1ccccc1)C(=O)O 1P005WE4 [0,1,0,0,1,0|1,0,0]=3 1205 B12R1.478 CNC(c1ccccc1)C(C)C 1P01AI8F [0,1,0,0,1,0|1,0,1]=4 1206 B12R1.478 CNC(c1ccccc1)C(N)C 1P028JX4 [0,1,0,0,1,0|1,0,1]=4 1207 B12R1.478 CNC(c1cccnc1)C(=O)O 1P009V6M [0,1,0,0,1,0|2,0,0]=4 1208 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O 1P002S6K [0,1,0,0,1,0|1,0,0]=3 1209 B12R1.478 CN[C@@H](c1ccccc1)C(=O)O 1P0251NM [0,1,0,0,1,0|1,0,0]=3 1210 B12R1.478 CN[C@H](c1ccccc1)C(=O)O 1P00325K [0,1,0,0,1,0|1,0,0]=3 1211 B12R1.478 COC(c1ccccc1)C(=O)C 1P008OMN [0,1,0,0,1,0|0,0,0]=2 1212 B12R1.478 COC(c1ccccc1)C(=O)O 1P001ARG [0,1,0,0,1,0|1,0,0]=3 1213 B12R1.478 COC(c1ccccc1)C(=O)O 1P00ICHO [0,1,0,0,1,0|1,0,0]=3 1214 B12R1.478 COC(c1ccccc1)C(=O)[O-] 1P00ENH0 [0,1,0,0,1,0|1,0,0]=3 1215 B12R1.478 COC(c1cccnc1)C(=O)O 1P028OUS [0,1,0,0,1,0|2,0,0]=4 1216 B12R1.478 CO[C@@H](c1ccccc1)C(=O)O 1P003CYC [0,1,0,0,1,0|1,0,0]=3 1217 B12R1.478 CO[C@H](c1ccccc1)C(=O)O 1P003CJZ [0,1,0,0,1,0|1,0,0]=3 1218 B12R1.478 CSC(c1ccccc1)C(=O)O 1P01AKM2 [0,1,0,0,1,0|1,0,0]=3 1219 B12R1.478 N#CC(c1ccccc1)C(=O)N 1P005PSU [0,1,0,0,1,0|1,0,1]=4 1220 B12R1.478 N#CC(c1ccccc1)C(=O)O 1P001COC [0,1,0,0,1,0|1,0,1]=4 1221 B12R1.478 N#CC(c1ccccn1)C(=O)C 1P00EM1C [0,1,0,0,1,0|1,0,1]=4 1222 B12R1.478 N#CC(c1cccnc1)C(=O)C 1P01BUCY [0,1,0,0,1,0|1,0,1]=4 1223 B12R1.478 N#CC(c1ccncc1)C(=O)C 1P01DZ3H [0,1,0,0,1,0|1,0,1]=4 1224 B12R1.478 NCC(c1ccccc1)C(=O)O 1P00D8WB [0,1,0,0,1,0|1,0,0]=3 1225 B12R1.478 NCC(c1ccccc1)C(=O)O 1P01BGCY [0,1,0,0,1,0|1,0,0]=3 1226 B12R1.478 NCC(c1ccccc1)N(C)C 1P003C24 [0,1,0,0,1,0|2,0,0]=4 1227 B12R1.478 NC[C@@H](c1ccccc1)C(=O)O 1P018QKP [0,1,0,0,1,0|1,0,0]=3 1228 B12R1.478 NC[C@@H](c1ccccc1)N(C)C 1P02818H [0,1,0,0,1,0|2,0,0]=4 1229 B12R1.478 NC[C@H](c1ccccc1)C(=O)O 1P001AZ3 [0,1,0,0,1,0|1,0,0]=3 1230 B12R1.478 NC[C@H](c1ccccc1)C(=O)O 1P0092K6 [0,1,0,0,1,0|1,0,0]=3 1231 B12R1.478 NC[C@H](c1ccccc1)C(C)C 1P0032XS [0,1,0,0,1,0|1,0,1]=4 1232 B12R1.478 NC[C@H](c1ccccc1)N(C)C 1P020MLH [0,1,0,0,1,0|2,0,0]=4 1233 B12R1.478 OCC(c1ccccc1)C(=O)N 1P00EM6X [0,1,0,0,1,0|1,0,0]=3 1234 B12R1.478 OCC(c1ccccc1)C(C)C 1P0288C7 [0,1,0,0,1,0|1,0,1]=4 1235 B12R1.478 OC[C@@H](c1ccccc1)C(=O)O 1P00B6AQ [0,1,0,0,1,0|1,0,0]=3 1236 B12R1.478 OC[C@H](c1ccccc1)C(=O)O 1P00B5QX [0,1,0,0,1,0|1,0,0]=3 1237 B12R1.478 ON=C(c1ccccc1)C(=O)C 1P01B7DU [0,1,0,0,1,0|1,0,1]=4 1238 B12R1.564 CC(C(C)(C)C)c1ccccc1 1P002GLK [0,1,0,0,1,0|1,0,1]=4 1239 B12R1.564 CC(C(N)(C)C)c1ccccc1 1P00DIQQ [0,1,0,0,1,0|1,0,1]=4 1240 B12R1.564 CC(C(N)(C)C)c1ccccc1 1P01DWYN [0,1,0,0,1,0|1,0,1]=4 1241 B12R1.564 CC(C(O)(C)C)c1ccccc1 1P00CZW7 [0,1,0,0,1,0|0,0,2]=4 1242 B12R1.564 CC(S(=O)(=O)F)c1ccccc1 1P01AJCH [0,1,0,0,1,0|2,0,0]=4 1243 B12R1.564 CC(S(=O)(=O)N)c1ccccc1 1P01AK23 [0,1,0,0,1,0|2,0,0]=4 1244 B12R1.564 CN(S(=O)(=O)C)c1ccccc1 1P01BHER [0,1,0,0,1,0|2,0,0]=4 1245 B12R1.564 C[C@@H](S(=O)(=O)N)c1ccccc1 1P0289IF [0,1,0,0,1,0|2,0,0]=4 1246 B12R1.564 C[C@H](S(=O)(=O)N)c1ccccc1 1P0289EE [0,1,0,0,1,0|2,0,0]=4 1247 B12R1.564 NC(P(=O)(C)C)c1ccccc1 1P028YV2 [0,1,0,0,1,0|2,0,0]=4 1248 B12R1.564 N[C@@H](P(=O)(C)C)c1ccccc1 1P027ZN3 [0,1,0,0,1,0|2,0,0]=4 1249 B12R1.564 N[C@H](P(=O)(C)C)c1ccccc1 1P028L23 [0,1,0,0,1,0|2,0,0]=4 1250 B12R1.15 ClCC(=O)NC(c1ccco1)C 1P019PTZ [0,1,0,0,1,0|2,0,0]=4 1251 B12R1.15 ClCC(=O)NC(c1cccs1)C 1P019O5A [0,1,0,0,1,0|2,0,0]=4 1252 B14R1.160 CC(=O)ONC(=O)c1ccccc1O 1P002CV3 [0,1,0,0,0,1|1,0,1]=4 1253 B14R1.160 CC(=O)O\N=C(/c1ccccc1O)\C 1P00DFJR [0,1,0,0,0,1|0,0,1]=3 1254 B14R1.160 NC(=O)OCC(c1ccccc1Cl)O 1P007565 [0,1,0,0,0,1|2,0,0]=4 1255 B14R1.163 CNC(=O)CCC(c1ccccc1)N 1P0293Q0 [0,1,0,0,0,1|2,0,0]=4 1256 B14R1.163 COC(=O)CCC(c1ccccc1)N 1P01ABNG [0,1,0,0,0,1|2,0,0]=4 1257 B14R1.163 ClCC(=O)NCC(c1ccccc1)C 1P007ZUX [0,1,0,0,0,1|1,0,0]=3 1258 B14R1.163 NCC(COC(c1ccccc1)C)O 1P019NZD [0,1,0,0,0,1|0,0,2]=4 1259 B14R1.163 NNC(=O)CNC(c1ccccc1)C 1P00F0XX [0,1,0,0,0,1|2,0,0]=4 1260 B14R1.415 CC(c1ccccc1)CC(C(=O)O)N 1P01FIUT [0,1,0,0,0,1|2,0,0]=4 1261 B14R1.417 CN(c1ccccc1)C(=O)CC(=O)C 1P00BVY2 [0,1,0,0,0,1|2,0,0]=4 1262 B14R1.540 COC(c1ccccc1)CSC(=O)C 1P028II1 [0,1,0,0,0,1|0,1,0]=3 1263 B14R1.540 OCC(c1ccccc1)COC(=O)N 1P007NKV [0,1,0,0,0,1|1,0,0]=3 1264 B14R1.678 CC(c1ccc(cc1)Br)CCC(=O)O 1P01ELQC [0,1,0,0,0,1|2,0,0]=4 1265 B14R1.678 O=C(c1ccc(cc1)Br)COC(=O)C 1P005FGA [0,1,0,0,0,1|1,0,1]=4 1266 B14R1.813 OC(=O)CCC(c1ccccc1)(C)C 1P00VSVK [0,1,0,0,0,1|2,0,0]=4 1267 B14R1.425 CC(C(=O)C(=O)O)Cc1ccccc1 1P00551V [0,1,0,0,0,1|2,0,0]=4 1268 B14R1.425 CC(N(C(=O)C)C)Cc1ccccc1 1P002V66 [0,1,0,0,0,1|1,0,0]=3 1269 B14R1.549 CCC(Cc1ccccc1)CC(=O)O 1P01E7HJ [0,1,0,0,0,1|2,0,0]=4 1270 B14R1.549 CNC(Cc1ccccc1)CC(=O)O 1P01BBA3 [0,1,0,0,0,1|2,0,0]=4 1271 B14R1.549 CN[C@@H](Cc1ccccc1)CC(=O)O 1P028ROS [0,1,0,0,0,1|2,0,0]=4 1272 B14R1.549 NCC(Cc1ccccc1)CC(=O)O 1P01B2XR [0,1,0,0,0,1|2,0,0]=4 1273 B14R1.549 OC[C@H](Cc1ccccc1)NC(=O)C 1P01ENI2 [0,1,0,0,0,1|1,0,0]=3 1274 B14R1.698 CC(Cc1ccc(cc1)Cl)CC(=O)O 1P01A4UQ [0,1,0,0,0,1|2,0,0]=4 1275 B14R1.698 CC(Sc1ccc(cc1)Cl)CC(=O)O 1P003IKS [0,1,0,0,0,1|2,0,0]=4 1276 B14R1.743 CNC(=O)C[C@H](Cc1ccccc1)N 1P027TPK [0,1,0,0,0,1|2,0,0]=4 1277 B14R1.743 COC(=O)CC(Cc1ccccc1)N 1P0001JS [0,1,0,0,0,1|2,0,0]=4 1278 B14R1.743 COC(=O)C[C@@H](Cc1ccccc1)N 1P00I0CZ [0,1,0,0,0,1|2,0,0]=4 1279 B14R1.743 COC(=O)C[C@H](Cc1ccccc1)N 1P00I27Z [0,1,0,0,0,1|2,0,0]=4 1280 B14R1.743 COC(=O)NC(Cc1ccccc1)C 1P01AV9V [0,1,0,0,0,1|1,0,0]=3 1281 B14R1.1485 CC(=O)CC(Nc1ccccc1)(C)C 1P004EIS [0,1,0,0,0,1|1,0,0]=3 1282 B14R1.1485 CC(=O)OC(Cc1ccccc1)(C)C 1P001NGS [0,1,0,0,0,1|0,0,0]=2 1283 B14R1.1485 OC(=O)CC(Cc1ccccc1)(C)C 1P01G4KY [0,1,0,0,0,1|2,0,0]=4 1284 B14R1.5978 CC(Cc1cccc(c1)F)CC(=O)O 1P019TR7 [0,1,0,0,0,1|2,0,0]=4 1285 B14R1.10 C=CC(=O)NC(c1ccc(cc1)F)C 1P028WHM [0,2,0,0,0,0|1,0,1]=4 1286 B14R1.10 COC(=O)C=C(c1ccc(cc1)F)C 1P01ADO2 [0,2,0,0,0,0|1,0,1]=4 1287 B14R1.10 COC(=O)CC(c1ccc(cc1)Br)C 1P00079K [0,2,0,0,0,0|1,0,0]=3 1288 B14R1.10 COC(=O)CC(c1ccc(cc1)Br)N 1P019LO0 [0,2,0,0,0,0|2,0,0]=4 1289 B14R1.10 COC(=O)CC(c1ccc(cc1)C)N 1P019MKI [0,2,0,0,0,0|2,0,0]=4 1290 B14R1.10 COC(=O)CC(c1ccc(cc1)Cl)N 1P00A6XY [0,2,0,0,0,0|2,0,0]=4 1291 B14R1.10 COC(=O)CC(c1ccc(cc1)F)N 1P00ASR2 [0,2,0,0,0,0|2,0,0]=4 1292 B14R1.10 COC(=O)CC(c1ccc(cc1)F)N 1P019XRB [0,2,0,0,0,0|2,0,0]=4 1293 B14R1.10 COC(=O)CC(c1ccc(cc1)N)C 1P01A7BO [0,2,0,0,0,0|1,0,0]=3 1294 B14R1.10 COC(=O)CC(c1ccc(cc1)N)C 1P028HJA [0,2,0,0,0,0|1,0,0]=3 1295 B14R1.10 COC(=O)CC(c1ccc(cc1)O)N 1P00I19A [0,2,0,0,0,0|2,0,0]=4 1296 B14R1.10 COC(=O)C[C@@H](c1ccc(cc1)Br)N 1P000MNZ [0,2,0,0,0,0|2,0,0]=4 1297 B14R1.10 COC(=O)C[C@@H](c1ccc(cc1)C)N 1P02902X [0,2,0,0,0,0|2,0,0]=4 1298 B14R1.10 COC(=O)C[C@@H](c1ccc(cc1)Cl)N 1P009I5U [0,2,0,0,0,0|2,0,0]=4 1299 B14R1.10 COC(=O)C[C@@H](c1ccc(cc1)Cl)N 1P00C1S6 [0,2,0,0,0,0|2,0,0]=4 1300 B14R1.10 COC(=O)C[C@@H](c1ccc(cc1)F)N 1P01X06K [0,2,0,0,0,0|2,0,0]=4 1301 B14R1.10 COC(=O)C[C@@H](c1ccc(cc1)O)N 1P01DE6P [0,2,0,0,0,0|2,0,0]=4 1302 B14R1.10 COC(=O)C[C@H](c1ccc(cc1)Br)N 1P003BD7 [0,2,0,0,0,0|2,0,0]=4 1303 B14R1.10 COC(=O)C[C@H](c1ccc(cc1)C)N 1P0289PL [0,2,0,0,0,0|2,0,0]=4 1304 B14R1.10 COC(=O)C[C@H](c1ccc(cc1)Cl)N 1P01JV58 [0,2,0,0,0,0|2,0,0]=4 1305 B14R1.10 COC(=O)C[C@H](c1ccc(cc1)F)N 1P0283NT [0,2,0,0,0,0|2,0,0]=4 1306 B14R1.10 ClCC(=O)NC(c1ccc(cc1)Br)C 1P00JHZ0 [0,2,0,0,0,0|1,0,0]=3 1307 B14R1.10 ClCC(=O)NC(c1ccc(cc1)C)C 1P006R91 [0,2,0,0,0,0|1,0,0]=3 1308 B14R1.10 ClCC(=O)NC(c1ccc(cc1)Cl)C 1P006LZ9 [0,2,0,0,0,0|1,0,0]=3 1309 B14R1.10 ClCC(=O)NC(c1ccc(cc1)F)C 1P019JAR [0,2,0,0,0,0|1,0,0]=3 1310 B14R1.10 ClCC(=O)N[C@@H](c1ccc(cc1)F)C 1P020GPL [0,2,0,0,0,0|1,0,0]=3 1311 B14R1.11 COC(=O)CC(c1cccc(c1)Br)N 1P0096RN [0,2,0,0,0,0|2,0,0]=4 1312 B14R1.11 COC(=O)CC(c1cccc(c1)Br)N 1P019XG3 [0,2,0,0,0,0|2,0,0]=4 1313 B14R1.11 COC(=O)CC(c1cccc(c1)Cl)N 1P00BJTH [0,2,0,0,0,0|2,0,0]=4 1314 B14R1.11 COC(=O)CC(c1cccc(c1)Cl)N 1P01EJRI [0,2,0,0,0,0|2,0,0]=4 1315 B14R1.11 COC(=O)CC(c1cccc(c1)F)N 1P01DMP4 [0,2,0,0,0,0|2,0,0]=4 1316 B14R1.11 COC(=O)CC(c1cccc(c1)O)C 1P000BBM [0,2,0,0,0,0|1,0,0]=3 1317 B14R1.11 COC(=O)CC(c1cccc(c1)O)N 1P003S7L [0,2,0,0,0,0|2,0,0]=4 1318 B14R1.11 COC(=O)CC(c1cccc(c1)O)O 1P003S91 [0,2,0,0,0,0|2,0,0]=4 1319 B14R1.11 COC(=O)C[C@@H](c1cccc(c1)Br)N 1P01A6U4 [0,2,0,0,0,0|2,0,0]=4 1320 B14R1.11 COC(=O)C[C@@H](c1cccc(c1)Cl)N 1P024FX5 [0,2,0,0,0,0|2,0,0]=4 1321 B14R1.11 COC(=O)C[C@@H](c1cccc(c1)Cl)O 1P01R5RD [0,2,0,0,0,0|2,0,0]=4 1322 B14R1.11 COC(=O)C[C@@H](c1cccc(c1)I)N 1P01FJ3Z [0,2,0,0,0,0|2,0,0]=4 1323 B14R1.11 COC(=O)C[C@@H](c1cccc(c1)O)N 1P024G0H [0,2,0,0,0,0|2,0,0]=4 1324 B14R1.11 COC(=O)C[C@H](c1cccc(c1)Br)N 1P00IDVA [0,2,0,0,0,0|2,0,0]=4 1325 B14R1.11 COC(=O)C[C@H](c1cccc(c1)Br)N 1P01AFEM [0,2,0,0,0,0|2,0,0]=4 1326 B14R1.11 COC(=O)C[C@H](c1cccc(c1)Cl)N 1P00GYTM [0,2,0,0,0,0|2,0,0]=4 1327 B14R1.11 COC(=O)C[C@H](c1cccc(c1)I)N 1P01BSFE [0,2,0,0,0,0|2,0,0]=4 1328 B14R1.11 COC(=O)C[C@H](c1cccc(c1)O)N 1P01DE6G [0,2,0,0,0,0|2,0,0]=4 1329 B14R1.11 ClCC(=O)NC(c1cccc(c1)Cl)C 1P0076HY [0,2,0,0,0,0|1,0,0]=3 1330 B14R1.29 CC(c1ccccc1)NC(=O)CC#N 1P00EH5I [0,2,0,0,0,0|1,0,0]=3 1331 B14R1.29 CCCC(=O)OC(c1ccccc1)C 1P00BZBA [0,2,0,0,0,0|0,0,0]=2 1332 B14R1.29 CCOC(=O)C=C(c1ccccc1)C 1P00IIRK [0,2,0,0,0,0|1,0,1]=4 1333 B14R1.29 CCOC(=O)CC(c1ccccc1)N 1P00EDE6 [0,2,0,0,0,0|2,0,0]=4 1334 B14R1.29 CCOC(=O)CC(c1ccccc1)N 1P019YC3 [0,2,0,0,0,0|2,0,0]=4 1335 B14R1.29 CCOC(=O)CC(c1ccccc1)O 1P003QYJ [0,2,0,0,0,0|2,0,0]=4 1336 B14R1.29 CCOC(=O)C[C@@H](c1ccccc1)N 1P001Y3D [0,2,0,0,0,0|2,0,0]=4 1337 B14R1.29 CCOC(=O)C[C@@H](c1ccccc1)O 1P00BXTO [0,2,0,0,0,0|2,0,0]=4 1338 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)N 1P00I76Q [0,2,0,0,0,0|2,0,0]=4 1339 B14R1.29 CCOC(=O)C[C@H](c1ccccc1)O 1P003BTL [0,2,0,0,0,0|2,0,0]=4 1340 B14R1.29 CCOC(=O)\C=C(\c1ccccc1)/C 1P001N2F [0,2,0,0,0,0|1,0,1]=4 1341 B14R1.29 C[C@H](c1ccccc1)NC(=O)CC#N 1P01KZJT [0,2,0,0,0,0|1,0,0]=3 1342 B14R1.29 ClCCC(=O)NC(c1ccccc1)C 1P00543O [0,2,0,0,0,0|1,0,0]=3 1343 B14R1.29 NCCC(=O)N[C@@H](c1ccccc1)C 1P01FKP4 [0,2,0,0,0,0|1,0,0]=3 1344 B14R1.85 CN(C(C(=O)OC)=O)C1=CC=CC=C1 1P01JHXC [0,2,0,0,0,0|2,0,0]=4 1345 B14R1.85 COC(=O)C(=O)C(c1ccccc1)Cl 1P01AKVF [0,2,0,0,0,0|2,0,0]=4 1346 B14R1.85 COC(=O)C(C(c1ccccc1)C)Cl 1P01A4TU [0,2,0,0,0,0|1,0,0]=3 1347 B14R1.85 COC(=O)C(C(c1ccccc1)C)N 1P01FKPH [0,2,0,0,0,0|1,0,0]=3 1348 B14R1.85 COC(=O)C(C(c1ccccc1)N)C 1P019U2O [0,2,0,0,0,0|2,0,0]=4 1349 B14R1.85 COC(=O)[C@@H]([C@H](c1ccccc1)N)O 1P0010FY [0,2,0,0,0,0|2,0,0]=4 1350 B14R1.85 COC(=O)[C@H]([C@@H](c1ccccc1)N)O 1P00I6KW [0,2,0,0,0,0|2,0,0]=4 1351 B14R1.85 ClCC(=O)N(C(c1ccccc1)C)C 1P0076HZ [0,2,0,0,0,0|1,0,0]=3 1352 B14R1.587 COC(=O)CC(c1ccccc1C)N 1P01ABCI [0,2,0,0,0,0|2,0,0]=4 1353 B14R1.587 COC(=O)CC(c1ccccc1Cl)N 1P00G4MO [0,2,0,0,0,0|2,0,0]=4 1354 B14R1.587 COC(=O)CC(c1ccccc1Cl)N 1P019LX4 [0,2,0,0,0,0|2,0,0]=4 1355 B14R1.587 COC(=O)CC(c1ccccc1F)N 1P01JN30 [0,2,0,0,0,0|2,0,0]=4 1356 B14R1.587 COC(=O)C[C@@H](c1ccccc1C)N 1P01JN29 [0,2,0,0,0,0|2,0,0]=4 1357 B14R1.587 COC(=O)C[C@H](c1ccccc1C)N 1P0286BD [0,2,0,0,0,0|2,0,0]=4 1358 B14R1.587 ClCC(=O)NC(c1ccccc1Br)C 1P019KBH [0,2,0,0,0,0|1,0,0]=3 1359 B14R1.587 ClCC(=O)NC(c1ccccc1C)C 1P019KBF [0,2,0,0,0,0|1,0,0]=3 1360 B14R1.587 ClCC(=O)NC(c1ccccc1Cl)C 1P00C7AA [0,2,0,0,0,0|1,0,0]=3 1361 B14R1.741 CCC(=O)CC(c1ccccc1)(C)C 1P00DGF4 [0,2,0,0,0,0|1,0,0]=3 1362 B14R1.741 COC(=O)CC(c1ccccc1)(N)C 1P01ADMR [0,2,0,0,0,0|1,0,0]=3 1363 B14R1.741 COC(=O)CC(c1ccccn1)(N)C 1P01AG1M [0,2,0,0,0,0|2,0,0]=4 1364 B14R1.741 COC(=O)CC(c1cccnc1)(N)C 1P01AG6L [0,2,0,0,0,0|2,0,0]=4 1365 B14R1.741 COC(=O)CC(c1ccncc1)(N)C 1P01AG1K [0,2,0,0,0,0|2,0,0]=4 1366 B14R1.3297 CCC(c1ccccc1)NC(=O)CN 1P01FKPB [0,2,0,0,0,0|1,0,0]=3 1367 B14R1.2 CCc1ccc(cc1)C(CC(=O)O)C 1P00VSUB [0,2,0,0,0,0|2,0,0]=4 1368 B14R1.2 COc1ccc(cc1)C(CC(=O)O)C 1P00VSUD [0,2,0,0,0,0|2,0,0]=4 1369 B14R1.2 COc1ccc(cc1)[C@@H](CC(=O)O)C 1P0280FT [0,2,0,0,0,0|2,0,0]=4 1370 B14R1.2 COc1ccc(cc1)[C@H](CC(=O)O)C 1P028A88 [0,2,0,0,0,0|2,0,0]=4 1371 B14R1.132 CC(C(C(=O)O)C)c1ccc(cc1)Cl 1P028WJN [0,2,0,0,0,0|2,0,0]=4 1372 B14R1.132 CC(C(C(=O)O)C)c1ccc(cc1)F 1P01DVU8 [0,2,0,0,0,0|2,0,0]=4 1373 B14R1.132 CC(C(C(=O)O)O)c1ccc(cc1)C 1P019TOA [0,2,0,0,0,0|2,0,0]=4 1374 B14R1.683 C[C@@H](c1ccc(cc1)Br)NS(=O)(=O)C 1P028J4J [0,2,0,0,0,0|2,0,0]=4 1375 B14R1.685 OC(=O)CC(c1ccc(c(c1)Br)F)C 1P01BBVX [0,2,0,0,0,0|2,0,0]=4 1376 B14R1.685 OC(=O)CC(c1ccc(c(c1)F)F)C 1P01EKOZ [0,2,0,0,0,0|2,0,0]=4 1377 B14R1.694 CC(=CC(c1ccc(cc1)F)(N)C)C 1P028WFF [0,2,0,0,0,0|2,0,0]=4 1378 B14R1.694 OC(=O)CC(c1ccc(cc1)C)(C)C 1P00C031 [0,2,0,0,0,0|2,0,0]=4 1379 B14R1.694 OC(=O)CC(c1ccc(cc1)F)(C)C 1P00CNES [0,2,0,0,0,0|2,0,0]=4 1380 B14R1.694 OC(=O)CC(c1ccc(cc1)I)(C)C 1P016LBB [0,2,0,0,0,0|2,0,0]=4 1381 B14R1.694 OC(=O)CC(c1ccc(cc1)N)(C)C 1P00CNEV [0,2,0,0,0,0|2,0,0]=4 1382 B14R1.1019 CCC(c1ccc(cc1)C)CC(=O)O 1P01AKAE [0,2,0,0,0,0|2,0,0]=4 1383 B14R1.1019 CC[C@@H](c1ccc(cc1)F)OC(=O)C 1P028Y3Z [0,2,0,0,0,0|0,0,0]=2 1384 B14R1.1019 NCC(c1ccc(cc1)Cl)CC(=O)O 1P003OF5 [0,2,0,0,0,0|2,0,0]=4 1385 B14R1.1019 NCC(c1ccc(cc1)Cl)CC(=O)O 1P01B2OY [0,2,0,0,0,0|2,0,0]=4 1386 B14R1.1019 NCC(c1ccc(cc1)F)CC(=O)O 1P01ELZ3 [0,2,0,0,0,0|2,0,0]=4 1387 B14R1.1019 NCC(c1ccc(cc1)O)CC(=O)O 1P0280CY [0,2,0,0,0,0|2,0,0]=4 1388 B14R1.1019 NC[C@@H](c1ccc(cc1)Cl)CC(=O)O 1P00379Z [0,2,0,0,0,0|2,0,0]=4 1389 B14R1.1019 NC[C@@H](c1ccc(cc1)Cl)CC(=O)O 1P00EA2H [0,2,0,0,0,0|2,0,0]=4 1390 B14R1.1019 NC[C@@H](c1ccc(cc1)F)CC(=O)O 1P005U9I [0,2,0,0,0,0|2,0,0]=4 1391 B14R1.1019 OCC(c1ccc(cc1)Cl)CC(=O)O 1P009ZL5 [0,2,0,0,0,0|2,0,0]=4 1392 B14R1.6048 OC(=O)CC(c1ccc(cc1F)F)C 1P01A2EM [0,2,0,0,0,0|2,0,0]=4 1393 B14R1.6048 [O-]C(=O)CC(c1ccc(cc1O)C)C 1P01BHU5 [0,2,0,0,0,0|2,0,0]=4 1394 B14R1.74 COc1cccc(c1)C(CC(=O)O)C 1P00CBDW [0,2,0,0,0,0|2,0,0]=4 1395 B14R1.1020 NCC(c1cccc(c1)O)CC(=O)O 1P028UJ3 [0,2,0,0,0,0|2,0,0]=4 1396 B14R1.4403 OC(=O)CC(c1cccc(c1)Br)(C)C 1P01BBC1 [0,2,0,0,0,0|2,0,0]=4 1397 B14R1.4403 OC(=O)CC(c1cccc(c1)N)(N)C 1P028JPF [0,2,0,0,0,0|2,0,0]=4 1398 B14R1.243 OC(=O)C(C(c1ccccc1Cl)C)C 1P01DVYB [0,2,0,0,0,0|2,0,0]=4 1399 B14R1.243 OC(=O)C(C(c1ccccc1F)C)O 1P01BS28 [0,2,0,0,0,0|2,0,0]=4 1400 B14R1.6306 CC(C(c1ccccc1)(C)C)C(=O)O 1P01XIL9 [0,2,0,0,0,0|2,0,0]=4 1401 B14R1.6306 NC(C(c1ccccc1)(C)C)C(=O)O 1P01FIUX [0,2,0,0,0,0|2,0,0]=4 1402 B14R1.6306 OC(C(c1ccccc1)(C)C)C(=O)O 1P029070 [0,2,0,0,0,0|2,0,0]=4 1403 B14R1.6391 CC(C(C(=O)O)(O)C)c1ccccc1 1P019TXC [0,2,0,0,0,0|2,0,0]=4 1404 B14R1.840 COc1ccccc1C(CC(=O)O)C 1P01AB26 [0,2,0,0,0,0|2,0,0]=4 1405 B14R1.4451 CC(c1ccccc1Cl)NS(=O)(=O)C 1P028BQR [0,2,0,0,0,0|2,0,0]=4 1406 B14R1.5805 CC(=O)NC(c1ccccc1Cl)(C)C 1P00AT2C [0,2,0,0,0,0|1,0,0]=3 1407 B14R1.5805 OC(=O)CC(c1ccccc1F)(C)C 1P00HHBH [0,2,0,0,0,0|2,0,0]=4 1408 B14R1.5805 OC(=O)CC(c1ccccc1F)(N)C 1P01FIV1 [0,2,0,0,0,0|2,0,0]=4 1409 B14R1.6474 NCC(c1ccccc1O)CC(=O)O 1P024SFK [0,2,0,0,0,0|2,0,0]=4 1410 B14R1.3642 CCC(c1ccccc1)(CC(=O)N)O 1P00AIKS [0,2,0,0,0,0|2,0,0]=4 1411 B14R1.3642 CCC(c1ccccc1)(CC(=O)O)O 1P01C31L [0,2,0,0,0,0|2,0,0]=4 1412 B14R1.544 OCC(c1ccccc1)NS(=O)(=O)C 1P01DVI7 [0,2,0,0,0,0|2,0,0]=4 1413 B14R1.515 C#CCC(c1ccccc1)CC(=O)O 1P01A560 [0,2,0,0,0,0|2,0,0]=4 1414 B14R1.515 C=CCC(c1ccccc1)CC(=O)O 1P027W2I [0,2,0,0,0,0|2,0,0]=4 1415 B14R1.515 CCCC(c1ccccc1)CC(=O)O 1P027W1T [0,2,0,0,0,0|2,0,0]=4 1416 B14R1.515 CNCC(c1ccccc1)OC(C)C 1P019V8K [0,2,0,0,0,0|1,0,1]=4 1417 B14R1.6455 CC(=O)O[C@@H](c1ccccc1)C(=O)O 1P023Q6H [0,2,0,0,0,0|0,0,1]=3 1418 B14R1.6455 CC(C(c1ccccc1)CC(=O)O)C 1P00VSUO [0,2,0,0,0,0|2,0,0]=4 1419 B14R1.6455 CN(C(c1ccccc1)CC(=O)O)C 1P01BDXD [0,2,0,0,0,0|2,0,0]=4 1420 B14R1.6455 ClC(=O)C(c1ccccc1)OC(=O)C 1P001UUV [0,2,0,0,0,0|0,0,1]=3 1421 B14R1.6455 ClC(=O)[C@@H](c1ccccc1)OC(=O)C 1P00DEAJ [0,2,0,0,0,0|0,0,1]=3 1422 B14R1.6455 FC(C(c1ccccc1)CC(=O)O)F 1P01EKQ3 [0,2,0,0,0,0|2,0,0]=4 1423 B14R1.6455 OC(=O)C(c1ccccc1)NC(=O)C 1P001RPN [0,2,0,0,0,0|1,0,1]=4 1424 B14R1.6455 OC(=O)C(c1ccccc1)OC(=O)C 1P00DEAH [0,2,0,0,0,0|0,0,1]=3 1425 B14R1.6455 OC(=O)C(c1ccccc1)SC(=O)C 1P019ZZV [0,2,0,0,0,0|0,1,1]=4 1426 B14R1.6455 OC(=O)[C@@H](c1ccccc1)NC(=O)C 1P009GU7 [0,2,0,0,0,0|1,0,1]=4 1427 B14R1.6455 OC(=O)[C@@H](c1ccccc1)OC(=O)C 1P00I9LQ [0,2,0,0,0,0|0,0,1]=3 1428 B14R1.6455 OC(=O)[C@H](c1ccccc1)NC(=O)C 1P00CJC2 [0,2,0,0,0,0|1,0,1]=4 1429 B14R1.6455 OC(=O)[C@H](c1ccccc1)OC(=O)C 1P00637O [0,2,0,0,0,0|0,0,1]=3 1430 B12R1.75 C=Cc1ccccc1OC(=O)C 1P003O3B [0,0,1,1,0,0|0,0,2]=4 1431 B12R2.2 C1CNC(C1)c2ccccc2 1P0002WI [1,0,0,1,0,0|1,0,1]=4 1432 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P0037LI [1,0,0,1,0,0|1,0,1]=4 1433 B12R2.2 C1CN[C@@H](C1)c2ccccc2 1P00EIWN [1,0,0,1,0,0|1,0,1]=4 1434 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P0037IN [1,0,0,1,0,0|1,0,1]=4 1435 B12R2.2 C1CN[C@H](C1)c2ccccc2 1P00EKMJ [1,0,0,1,0,0|1,0,1]=4 1436 B12R2.2 C1COC(C1)c2ccccc2 1P001STW [1,0,0,1,0,0|0,0,1]=3 1437 B12R2.2 C1COC(O1)c2ccccc2 1P003IBH [1,0,0,1,0,0|1,0,1]=4 1438 B12R2.2 C1NCC(C1)c2ccccc2 1P003A3E [1,0,0,1,0,0|2,0,0]=4 1439 B12R2.2 C1NCC(C1)c2ccccc2 1P00GSPY [1,0,0,1,0,0|2,0,0]=4 1440 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P008SNV [1,0,0,1,0,0|2,0,0]=4 1441 B12R2.2 C1NC[C@@H](C1)c2ccccc2 1P00F5WR [1,0,0,1,0,0|2,0,0]=4 1442 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00F5E7 [1,0,0,1,0,0|2,0,0]=4 1443 B12R2.2 C1NC[C@H](C1)c2ccccc2 1P00G3DZ [1,0,0,1,0,0|2,0,0]=4 1444 B12R2.2 O1CC[C@H](N1)c2ccccc2 1P01KZLY [1,0,0,1,0,0|2,0,0]=4 1445 B12R2.22 C=C1CC(C1)c2ccccc2 1P028DIZ [1,0,0,1,0,0|1,0,1]=4 1446 B12R2.22 O=C1CC(=C1)c2ccccc2 1P0283JH [1,0,0,1,0,0|1,0,1]=4 1447 B12R2.22 O=C1CC(C1)c2ccccc2 1P00DAV9 [1,0,0,1,0,0|1,0,0]=3 1448 B12R2.22 O=C1CC(C1)c2ccncc2 1P01AN9O [1,0,0,1,0,0|2,0,0]=4 1449 B12R2.22 O=C1CC(N1)c2ccccc2 1P00EEJP [1,0,0,1,0,0|1,0,0]=3 1450 B12R2.27 CNC1CC1c2ccccc2 1P01A1NI [1,0,0,1,0,0|2,0,0]=4 1451 B12R2.27 CN[C@@H]1C[C@H]1c2ccccc2 1P0287PW [1,0,0,1,0,0|2,0,0]=4 1452 B12R2.27 CN[C@H]1C[C@@H]1c2ccccc2 1P028BEU [1,0,0,1,0,0|2,0,0]=4 1453 B12R2.27 O=CC1CC1c2ccncc2 1P006PR2 [1,0,0,1,0,0|2,0,0]=4 1454 B12R2.27 O=C[C@@H]1C[C@H]1c2ccccc2 1P01C3AV [1,0,0,1,0,0|1,0,0]=3 1455 B12R2.116 CC1(CCN1)c2ccccc2 1P028II4 [1,0,0,1,0,0|1,0,1]=4 1456 B12R2.116 CC1(CNC1)c2ccccc2 1P00VV9A [1,0,0,1,0,0|2,0,0]=4 1457 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZO [1,0,0,1,0,0|2,0,0]=4 1458 B12R2.1081 CC1CNCc2c1cccc2 1P0092ZP [1,0,0,1,0,0|2,0,0]=4 1459 B12R2.1081 CC1NCCc2c1cccc2 1P003EXJ [1,0,0,1,0,0|1,0,1]=4 1460 B12R2.1081 CC1NCCc2c1cccc2 1P008ZIA [1,0,0,1,0,0|1,0,1]=4 1461 B12R2.1081 C[C@@H]1CNCc2c1cccc2 1P01DIHO [1,0,0,1,0,0|2,0,0]=4 1462 B12R2.1081 C[C@@H]1NCCc2c1cccc2 1P00EKIC [1,0,0,1,0,0|1,0,1]=4 1463 B12R2.1081 C[C@H]1CNCc2c1cccc2 1P00I7EK [1,0,0,1,0,0|2,0,0]=4 1464 B12R2.1081 C[C@H]1NCCc2c1cccc2 1P00G8PU [1,0,0,1,0,0|1,0,1]=4 1465 B12R2.2028 CC1OB(c2c1cccc2)O 1P01BX4T [1,0,0,1,0,0|1,0,1]=4 1466 B12R2.2028 CC1OC(=O)c2c1nccc2 1P01C26A [1,0,0,1,0,0|1,0,0]=3 1467 B12R2.2028 C[C@@H]1N[C@H](c2c1cccc2)C 1P028L6R [1,0,0,1,0,0|1,0,1]=4 1468 B12R2.2028 C[C@@H]1N[C@H](c2c1cccc2)C 1P028M4T [1,0,0,1,0,0|1,0,1]=4 1469 B12R2.2028 C[C@@H]1OB(c2c1cccc2)O 1P027XQO [1,0,0,1,0,0|1,0,1]=4 1470 B12R2.2028 C[C@H]1OB(c2c1cccc2)O 1P0292LN [1,0,0,1,0,0|1,0,1]=4 1471 B12R2.2028 Cn1[nH]c(=O)c2c1cccc2 1P0002WW [1,0,0,1,0,0|2,0,0]=4 1472 B12R2.2028 Cn1cc(c2c1cccc2)C 1P00H2MC [1,0,0,1,0,0|2,0,0]=4 1473 B12R2.2028 O=C1CC(c2c1cccc2)Br 1P003JG9 [1,0,0,1,0,0|2,0,0]=4 1474 B12R2.2028 O=C1CC(c2c1cccc2)C 1P003K5N [1,0,0,1,0,0|1,0,0]=3 1475 B12R2.2028 O=C1CC(c2c1cccc2)N 1P00ADCH [1,0,0,1,0,0|2,0,0]=4 1476 B12R2.2028 O=C1C[C@@H](c2c1cccc2)C 1P01EKBH [1,0,0,1,0,0|1,0,0]=3 1477 B12R2.2028 O=C1C[C@H](c2c1cccc2)C 1P005GL2 [1,0,0,1,0,0|1,0,0]=3 1478 B12R2.2028 O=C1NC(c2c1cccc2)C 1P01DYOU [1,0,0,1,0,0|1,0,0]=3 1479 B12R2.2028 O=C1NC(c2c1cccc2)N 1P00II77 [1,0,0,1,0,0|2,0,0]=4 1480 B12R2.2028 O=C1N[C@@H](c2c1cccc2)C 1P000ZYL [1,0,0,1,0,0|1,0,0]=3 1481 B12R2.2028 O=C1OC(=O)c2c1cccc2 1P0036V9 [1,0,0,1,0,0|1,0,1]=4 1482 B12R2.2028 O=C1OC(c2c1cccc2)Br 1P003JLP [1,0,0,1,0,0|1,0,0]=3 1483 B12R2.2028 O=C1OC(c2c1cccc2)C 1P003B0H [1,0,0,1,0,0|0,0,0]=2 1484 B12R2.2028 O=C1OC(c2c1cccc2)Cl 1P00IBKW [1,0,0,1,0,0|1,0,0]=3 1485 B12R2.2028 O=C1OC(c2c1cccc2)O 1P001YMT [1,0,0,1,0,0|1,0,0]=3 1486 B12R2.2028 O=C1OC(c2c1cccc2)O 1P019PMD [1,0,0,1,0,0|1,0,0]=3 1487 B12R2.2028 O=C1O[I](c2c1cccc2)O 1P000VS1 [1,0,0,1,0,0|2,0,0]=4 1488 B12R2.2075 CC(c1ccccc1)C2OC2 1P01AMGS [1,0,0,1,0,0|2,0,0]=4 1489 B12R2.24 CC1=Nc2c(CN1)cccc2 1P019MR0 [1,0,0,1,0,0|2,0,0]=4 1490 B12R2.24 O=C1CCc2c(C1)cccn2 1P00BD2K [1,0,0,1,0,0|2,0,0]=4 1491 B12R2.24 O=C1CCc2c(N1)cccc2 1P003IXY [1,0,0,1,0,0|2,0,0]=4 1492 B12R2.24 O=C1CCc2c(O1)cccc2 1P000PG9 [1,0,0,1,0,0|2,0,0]=4 1493 B12R2.24 O=C1COc2c(C1)cccc2 1P002FDL [1,0,0,1,0,0|2,0,0]=4 1494 B12R2.24 O=C1CSc2c(C1)cccc2 1P001YUW [1,0,0,1,0,0|2,0,0]=4 1495 B12R2.24 O=C1NCc2c(C1)cccc2 1P00C3UR [1,0,0,1,0,0|1,0,0]=3 1496 B12R2.24 O=C1NCc2c(C1)cccn2 1P01DL4O [1,0,0,1,0,0|2,0,0]=4 1497 B12R2.24 O=C1NCc2c(C1)cncc2 1P007BG4 [1,0,0,1,0,0|2,0,0]=4 1498 B12R2.24 O=C1NCc2c(N1)cccc2 1P00FGZ1 [1,0,0,1,0,0|2,0,0]=4 1499 B12R2.24 O=C1NCc2c(O1)cccc2 1P009OMZ [1,0,0,1,0,0|2,0,0]=4 1500 B12R2.24 O=C1OCc2c(C1)cccc2 1P00I8TK [1,0,0,1,0,0|0,0,0]=2 1501 B12R2.24 O=C1OCc2c(N1)cccc2 1P00AGC8 [1,0,0,1,0,0|1,0,0]=3 1502 B12R2.24 OC1OCc2c(C1)cccc2 1P00CVDY [1,0,0,1,0,0|0,0,2]=4 1503 B12R2.92 CC1(C)OC1c2ccccc2 1P00056M [1,0,0,1,0,0|1,0,1]=4 1504 B12R2.2403 C[Si]1(C)OCc2c1cccc2 1P00CA06 [1,0,0,1,0,0|1,1,0]=4 1505 B12R2.2403 OP1(=O)OCc2c1cccc2 1P028I0P [1,0,0,1,0,0|2,0,0]=4 1506 B12R2.3190 CC(=O)C1Cc2c1cccc2 1P009LOJ [1,0,0,1,0,0|1,0,0]=3 1507 B12R2.3190 ClC(=O)C1Cc2c1cccc2 1P001F99 [1,0,0,1,0,0|2,0,0]=4 1508 B12R2.3190 OC(=O)C1Cc2c1cccc2 1P001IVS [1,0,0,1,0,0|2,0,0]=4 1509 B12R2.18 CC1C(C)Nc2c1cccc2 1P007Q06 [0,0,0,1,1,0|1,0,1]=4 1510 B12R2.18 CC1C(O)Cc2c1cccc2 1P019Z25 [0,0,0,1,1,0|0,0,2]=4 1511 B12R2.18 C[n+]1c(C)sc2c1cccc2 1P00BMA3 [0,0,0,1,1,0|1,1,0]=4 1512 B12R2.18 C[n+]1c(C)sc2c1cccc2 1P01EXI9 [0,0,0,1,1,0|1,1,0]=4 1513 B12R2.18 Cc1[nH]c2c(c1C)cccc2 1P003G13 [0,0,0,1,1,0|1,0,1]=4 1514 B12R2.18 Cc1c(C)oc2c1cccc2 1P00BYVJ [0,0,0,1,1,0|0,0,2]=4 1515 B12R2.18 Cn1c(=O)[nH]c2c1cccc2 1P0038CR [0,0,0,1,1,0|2,0,0]=4 1516 B12R2.18 Cn1c(=O)oc2c1cccc2 1P003K5Q [0,0,0,1,1,0|2,0,0]=4 1517 B12R2.18 Cn1c(C)cc2c1cccc2 1P00IF3Y [0,0,0,1,1,0|2,0,0]=4 1518 B12R2.18 Cn1c(C)nc2c1cccc2 1P002WUY [0,0,0,1,1,0|2,0,0]=4 1519 B12R2.18 O=C1C(=O)Cc2c1cccc2 1P001T94 [0,0,0,1,1,0|1,0,1]=4 1520 B12R2.18 O=C1Cc2c(C1C)cccc2 1P019YQK [0,0,0,1,1,0|0,0,0]=2 1521 B12R2.18 O=C1Cc2c(C1N)cccc2 1P0286XU [0,0,0,1,1,0|1,0,0]=3 1522 B12R2.18 O=C1Cc2c(N1C)cccc2 1P00339I [0,0,0,1,1,0|1,0,0]=3 1523 B12R2.18 O=C1Cc2c(N1C)cncc2 1P00B3BG [0,0,0,1,1,0|2,0,0]=4 1524 B12R2.18 O=C1Cc2c(N1C)nccc2 1P001P0O [0,0,0,1,1,0|2,0,0]=4 1525 B12R2.18 O=C1Nc2c(C1Br)cccc2 1P002M2M [0,0,0,1,1,0|2,0,0]=4 1526 B12R2.18 O=C1Nc2c(C1C)cccc2 1P001N1S [0,0,0,1,1,0|1,0,0]=3 1527 B12R2.18 O=C1Nc2c(C1C)cccn2 1P0011YY [0,0,0,1,1,0|2,0,0]=4 1528 B12R2.18 O=C1Nc2c(C1Cl)cccc2 1P006DIR [0,0,0,1,1,0|2,0,0]=4 1529 B12R2.18 O=C1Nc2c(C1N)cccc2 1P00J1R7 [0,0,0,1,1,0|2,0,0]=4 1530 B12R2.18 O=C1Nc2c(C1O)cccc2 1P00EZKX [0,0,0,1,1,0|2,0,0]=4 1531 B12R2.23 NC1CCC1c2ccccc2 1P00AOBI [0,0,0,1,1,0|1,0,1]=4 1532 B12R2.23 O=C1CCC1c2ccccc2 1P0072PM [0,0,0,1,1,0|0,0,0]=2 1533 B12R2.23 O=C1CCN1c2ccccc2 1P00DLNM [0,0,0,1,1,0|1,0,0]=3 1534 B12R2.23 O=C1COC1c2ccccc2 1P01BISV [0,0,0,1,1,0|1,0,0]=3 1535 B12R2.23 OC1CCC1c2ccccc2 1P01AJWJ [0,0,0,1,1,0|0,0,2]=4 1536 B12R2.23 SC1CCC1c2ccccc2 1P028I0F [0,0,0,1,1,0|0,1,1]=4 1537 B12R2.6 O=C1CCC(N1)c2ccco2 1P01DWQC [0,0,0,1,1,0|2,0,0]=4 1538 B12R2.6 O=C1CCC(N1)c2cccs2 1P028EKU [0,0,0,1,1,0|2,0,0]=4 1539 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2cccs2 1P024KOQ [0,0,0,1,1,0|2,0,0]=4 1540 B14R2.68 O=C1CCC(=NN1)c2ccccc2 1P00048E [0,0,0,1,0,1|1,0,1]=4 1541 B14R2.68 O=C1CCC(CC1)c2ccccc2 1P0034LM [0,0,0,1,0,1|1,0,0]=3 1542 B14R2.68 O=C1CCC(CC1)c2ccncc2 1P007YB0 [0,0,0,1,0,1|2,0,0]=4 1543 B14R2.68 O=C1CCN(CC1)c2ccccc2 1P002FMI [0,0,0,1,0,1|2,0,0]=4 1544 B14R2.68 O=C1COC(OC1)c2ccccc2 1P00DM9X [0,0,0,1,0,1|1,0,0]=3 1545 B14R2.68 O=C1NCC(NC1)c2ccccc2 1P00H53D [0,0,0,1,0,1|2,0,0]=4 1546 B14R2.68 O=C1NCC(OC1)c2ccccc2 1P00E1M0 [0,0,0,1,0,1|1,0,0]=3 1547 B14R2.68 O=C1OC[C@@H](NC1)c2ccccc2 1P001KRT [0,0,0,1,0,1|1,0,0]=3 1548 B14R2.68 O=C1OC[C@@H](NC1)c2ccccc2 1P00DM4L [0,0,0,1,0,1|1,0,0]=3 1549 B14R2.68 O=C1OC[C@H](NC1)c2ccccc2 1P0077I4 [0,0,0,1,0,1|1,0,0]=3 1550 B14R2.68 O=C1OC[C@H](NC1)c2ccccc2 1P01KA8S [0,0,0,1,0,1|1,0,0]=3 1551 B14R2.287 O=C1CCC(c2c(C1)cccc2)C 1P01DWMC [0,0,0,1,0,1|1,0,0]=3 1552 B14R2.287 O=C1CNC(c2c(N1)cccc2)C 1P028RPW [0,0,0,1,0,1|2,0,0]=4 1553 B14R2.779 NC(=O)N1CC(C1)c2ccccc2 1P028UOB [0,0,0,1,0,1|2,0,0]=4 1554 B14R2.779 OC(=O)C1CC(C1)c2ccccc2 1P00FI3I [0,0,0,1,0,1|2,0,0]=4 1555 B14R2.779 OC(=O)[C@@H]1C[C@@H](C1)c2ccccc2 1P01EKPS [0,0,0,1,0,1|2,0,0]=4 1556 B14R2.779 OC(=O)[C@@H]1C[C@H](C1)c2ccccc2 1P01XAH6 [0,0,0,1,0,1|2,0,0]=4 1557 B14R2.779 [O-]C(=O)C1CC(O1)c2ccccc2 1P028OM3 [0,0,0,1,0,1|1,0,0]=3 1558 B14R2.2950 CC1OCC(C1)(C)c2ccccc2 1P01FZNF [0,0,0,1,0,1|1,0,1]=4 1559 B14R2.2950 O=C1CCC(C1)(C)c2ccccc2 1P01AGHK [0,0,0,1,0,1|1,0,0]=3 1560 B14R2.2950 O=C1CCC(N1)(C)c2ccccc2 1P01BDSQ [0,0,0,1,0,1|2,0,0]=4 1561 B14R2.2950 O=C1NCC(C1)(C)c2ccccc2 1P01AGDX [0,0,0,1,0,1|1,0,0]=3 1562 B14R2.2950 O=C1NCC(C1)(C)c2ccccn2 1P01A7H8 [0,0,0,1,0,1|2,0,0]=4 1563 B14R2.2950 O=C1NCC(C1)(C)c2cccnc2 1P01AGFC [0,0,0,1,0,1|2,0,0]=4 1564 B14R2.9520 OC(=O)C1CC1(C)c2ccccc2 1P01AC8Q [0,0,0,1,0,1|2,0,0]=4 1565 B14R2.25733 CC(=O)c1cn(c2c1cccc2)C 1P002ESO [0,0,0,1,0,1|2,0,0]=4 1566 B14R2.25733 CC(=O)c1nn(c2c1cccc2)C 1P006NVQ [0,0,0,1,0,1|2,0,0]=4 1567 B14R2.31137 NC(=O)NCC1Cc2c1cccc2 1P028WCE [0,0,0,1,0,1|2,0,0]=4 1568 B14R2.19 O=C1CCC(C1)Cc2ccccc2 1P00IE0X [0,0,0,1,0,1|1,0,0]=3 1569 B14R2.19 O=C1CCC(N1)Cc2ccccc2 1P00A4OY [0,0,0,1,0,1|1,0,0]=3 1570 B14R2.19 O=C1CCC(O1)Cc2ccccc2 1P01A0ME [0,0,0,1,0,1|0,0,0]=2 1571 B14R2.19 O=C1CCN(C1)Cc2ccccc2 1P0004EO [0,0,0,1,0,1|2,0,0]=4 1572 B14R2.19 O=C1CCN(C1)Cc2ccccc2 1P003354 [0,0,0,1,0,1|2,0,0]=4 1573 B14R2.19 O=C1NCC(C1)Cc2ccccc2 1P007JQQ [0,0,0,1,0,1|2,0,0]=4 1574 B14R2.19 O=C1NCC(O1)Cc2ccccc2 1P01A6AI [0,0,0,1,0,1|1,0,0]=3 1575 B14R2.19 O=C1OCC(C1)Cc2ccccc2 1P00BK67 [0,0,0,1,0,1|2,0,0]=4 1576 B14R2.19 O=C1OC[C@@H](N1)Cc2ccccc2 1P0032XX [0,0,0,1,0,1|2,0,0]=4 1577 B14R2.19 O=C1OC[C@H](N1)Cc2ccccc2 1P0006V2 [0,0,0,1,0,1|2,0,0]=4 1578 B14R2.19 O=C1SC[C@@H](N1)Cc2ccccc2 1P00BDVY [0,0,0,1,0,1|2,0,0]=4 1579 B14R2.19 O=C1SC[C@H](N1)Cc2ccccc2 1P0016BK [0,0,0,1,0,1|2,0,0]=4 1580 B14R2.598 C[C@@H]1NC(=O)O[C@@H]1c2ccccc2 1P001TO4 [0,0,0,1,0,1|2,0,0]=4 1581 B14R2.598 C[C@H]1NC(=O)O[C@H]1c2ccccc2 1P003CDN [0,0,0,1,0,1|2,0,0]=4 1582 B14R2.598 O=C1OC(=O)CC1c2ccccc2 1P003U6U [0,0,0,1,0,1|1,0,1]=4 1583 B14R2.598 O=C1OC(=O)C[C@H]1c2ccccc2 1P000DEV [0,0,0,1,0,1|1,0,1]=4 1584 B14R2.642 CC(=O)c1c(C)[nH]c2c1cccc2 1P006Y0I [0,0,0,1,0,1|1,0,1]=4 1585 B14R2.642 CC(=O)c1c(C)oc2c1cccc2 1P0077RB [0,0,0,1,0,1|1,0,1]=4 1586 B14R2.642 CC(=O)c1c(C)sc2c1cccc2 1P001Y9S [0,0,0,1,0,1|1,0,1]=4 1587 B14R2.738 CC1CC(=O)Nc2c(N1)cccc2 1P00C0OL [0,0,0,1,0,1|2,0,0]=4 1588 B14R2.738 O=C1CC(C)Sc2c(N1)cccc2 1P019N87 [0,0,0,1,0,1|2,0,0]=4 1589 B14R2.764 OC(=O)C1CC1Cc2ccccc2 1P007XBN [0,0,0,1,0,1|2,0,0]=4 1590 B14R2.764 OC(=O)[C@@H]1C[C@H]1Oc2ccccc2 1P023SDR [0,0,0,1,0,1|2,0,0]=4 1591 B14R2.764 OC(=O)[C@H]1C[C@@H]1Sc2ccccc2 1P024TSA [0,0,0,1,0,1|2,0,0]=4 1592 B14R2.764 OC(=O)[C@H]1C[C@H]1Sc2ccccc2 1P024TS9 [0,0,0,1,0,1|2,0,0]=4 1593 B14R2.768 CC(=O)CN1Cc2c(C1)cccc2 1P01BE30 [0,0,0,1,0,1|2,0,0]=4 1594 B14R2.768 CC(=O)NC1Cc2c(C1)cccc2 1P001B9U [0,0,0,1,0,1|1,0,0]=3 1595 B14R2.768 OC(=O)CC1Cc2c(C1)cccc2 1P00BYZ9 [0,0,0,1,0,1|2,0,0]=4 1596 B14R2.768 OC(=O)CC1Cc2c(N1)cccc2 1P02811E [0,0,0,1,0,1|2,0,0]=4 1597 B14R2.768 OC(=O)CC1Cc2c(O1)cccc2 1P00ELBK [0,0,0,1,0,1|2,0,0]=4 1598 B14R2.768 OC(=O)C[C@@H]1Cc2c(N1)cccc2 1P028K8X [0,0,0,1,0,1|2,0,0]=4 1599 B14R2.768 OC(=O)C[C@H]1Cc2c(N1)cccc2 1P028K05 [0,0,0,1,0,1|2,0,0]=4 1600 B14R2.4586 OC(=O)C1C(C1C)c2ccccc2 1P01BI1V [0,0,0,1,0,1|2,0,0]=4 1601 B14R2.8 ICC1CCC(O1)c2ccccc2 1P01BIC7 [0,1,0,1,0,0|1,0,1]=4 1602 B14R2.8 NCC1CCC(O1)c2ccccc2 1P01A2H9 [0,1,0,1,0,0|1,0,1]=4 1603 B14R2.8 NCC1CCC(O1)c2ccccc2 1P01C5XK [0,1,0,1,0,0|1,0,1]=4 1604 B14R2.8 NC[C@@H]1CC[C@H](O1)c2ccccc2 1P028ZKB [0,1,0,1,0,0|1,0,1]=4 1605 B14R2.8 NC[C@H]1CC[C@@H](O1)c2ccccc2 1P01BC9R [0,1,0,1,0,0|1,0,1]=4 1606 B14R2.8 NC[C@H]1CC[C@H](O1)c2ccccc2 1P01BCO3 [0,1,0,1,0,0|1,0,1]=4 1607 B14R2.8 OCC1CCC(O1)c2ccccc2 1P01AM1X [0,1,0,1,0,0|0,0,2]=4 1608 B14R2.8 OC[C@@H]1CC[C@@H](O1)c2ccccc2 1P02899R [0,1,0,1,0,0|0,0,2]=4 1609 B14R2.21 CC1CNCC(O1)c2ccccc2 1P00VU8F [0,1,0,1,0,0|1,0,1]=4 1610 B14R2.21 C[C@@H]1CNC[C@@H](O1)c2ccccc2 1P021XS2 [0,1,0,1,0,0|1,0,1]=4 1611 B14R2.21 NC1=NC(CCN1)c2ccccc2 1P028K55 [0,1,0,1,0,0|2,0,0]=4 1612 B14R2.21 O=C1CCCC(=C1)c2ccccc2 1P0092ME [0,1,0,1,0,0|1,0,1]=4 1613 B14R2.21 O=C1CCCC(C1)c2ccccc2 1P002JUC [0,1,0,1,0,0|1,0,0]=3 1614 B14R2.21 O=C1CCCC(C1)c2cccnc2 1P00AT0D [0,1,0,1,0,0|2,0,0]=4 1615 B14R2.21 O=C1CCCC(N1)c2ccccc2 1P00CLAT [0,1,0,1,0,0|1,0,0]=3 1616 B14R2.21 O=C1CCCC(N1)c2ccccn2 1P01B76G [0,1,0,1,0,0|2,0,0]=4 1617 B14R2.21 O=C1CCCC(O1)c2ccccc2 1P02010V [0,1,0,1,0,0|0,0,0]=2 1618 B14R2.21 O=C1CCCN(C1)c2ccccc2 1P001LEW [0,1,0,1,0,0|2,0,0]=4 1619 B14R2.21 O=C1CCC[C@@H](C1)c2ccccc2 1P00EE87 [0,1,0,1,0,0|1,0,0]=3 1620 B14R2.21 O=C1CCC[C@H](C1)c2ccccc2 1P00C8RB [0,1,0,1,0,0|1,0,0]=3 1621 B14R2.21 O=C1CCNC(C1)c2ccccc2 1P000MS7 [0,1,0,1,0,0|1,0,0]=3 1622 B14R2.21 O=C1CCNC(C1)c2ccccc2 1P007RGW [0,1,0,1,0,0|1,0,0]=3 1623 B14R2.21 O=C1CCOC(=C1)c2ccccc2 1P01EDI1 [0,1,0,1,0,0|1,0,1]=4 1624 B14R2.21 O=C1CCOC(C1)c2ccccc2 1P001FJW [0,1,0,1,0,0|1,0,0]=3 1625 B14R2.21 O=C1CNCC(N1)c2ccccc2 1P02808F [0,1,0,1,0,0|1,0,0]=3 1626 B14R2.21 O=C1COCC(N1)c2ccccc2 1P000RHJ [0,1,0,1,0,0|1,0,0]=3 1627 B14R2.21 O=C1COC[C@@H](N1)c2ccccc2 1P008TI4 [0,1,0,1,0,0|1,0,0]=3 1628 B14R2.21 O=C1COC[C@H](N1)c2ccccc2 1P002GTS [0,1,0,1,0,0|1,0,0]=3 1629 B14R2.21 O=C1CSCC(N1)c2ccccc2 1P01AUXT [0,1,0,1,0,0|1,0,0]=3 1630 B14R2.21 O=C1NCCC(C1)c2ccccc2 1P008LLA [0,1,0,1,0,0|1,0,0]=3 1631 B14R2.21 O=S1CCNC(C1)c2ccccc2 1P01AJJY [0,1,0,1,0,0|2,0,0]=4 1632 B14R2.21 O=S1CCNC(C1)c2ccccc2 1P027YK9 [0,1,0,1,0,0|2,0,0]=4 1633 B14R2.52 O=C1COc2c(C(N1)C)cccc2 1P028K39 [0,1,0,1,0,0|1,0,0]=3 1634 B14R2.260 CC1CC(NC1=O)c2ccccc2 1P028CSW [0,1,0,1,0,0|1,0,0]=3 1635 B14R2.260 CC1CN(NC1=O)c2ccccc2 1P002U39 [0,1,0,1,0,0|2,0,0]=4 1636 B14R2.260 CC1N=C(OC1=O)c2ccccc2 1P001201 [0,1,0,1,0,0|1,0,1]=4 1637 B14R2.260 NC1CC(NC1=O)c2ccccc2 1P028GXX [0,1,0,1,0,0|1,0,0]=3 1638 B14R2.260 NC1CC(OC1=O)c2ccccc2 1P0283K1 [0,1,0,1,0,0|0,0,0]=2 1639 B14R2.260 N[C@@H]1C[C@@H](NC1=O)c2ccccc2 1P028KY1 [0,1,0,1,0,0|1,0,0]=3 1640 B14R2.260 O=C1CC(CC1=O)c2ccccc2 1P02877F [0,1,0,1,0,0|1,0,1]=4 1641 B14R2.260 OC1CC(NC1=O)c2ccccc2 1P028M8W [0,1,0,1,0,0|1,0,0]=3 1642 B14R2.958 BrCC(=O)[C@@H]1C[C@H]1c2ccccc2 1P028B3F [0,1,0,1,0,0|1,0,0]=3 1643 B14R2.958 COC(=O)C1NC1c2ccccc2 1P00I0E2 [0,1,0,1,0,0|2,0,0]=4 1644 B14R2.958 COC(=O)C1OC1c2ccccc2 1P00CL3J [0,1,0,1,0,0|2,0,0]=4 1645 B14R2.7724 Cc1cc(=O)n(c2c1cccc2)C 1P007O1O [0,1,0,1,0,0|1,0,1]=4 1646 B14R2.7724 O=c1oc(=O)n(c2c1cccc2)C 1P003EXQ [0,1,0,1,0,0|1,0,1]=4 1647 B14R2.20 O=C1CCC(C1)c2ccc(cc2)C 1P004LQP [0,1,0,1,0,0|1,0,0]=3 1648 B14R2.20 O=C1CCC(C1)c2ccc(cc2)Cl 1P000GT7 [0,1,0,1,0,0|1,0,0]=3 1649 B14R2.20 O=C1CCC(C1)c2ccc(cc2)F 1P001WP2 [0,1,0,1,0,0|1,0,0]=3 1650 B14R2.20 O=C1CCC(C1)c2ccc(cc2)N 1P028JV1 [0,1,0,1,0,0|1,0,0]=3 1651 B14R2.20 O=C1CCC(N1)c2ccc(cc2)Br 1P002JVE [0,1,0,1,0,0|1,0,0]=3 1652 B14R2.20 O=C1CCC(N1)c2ccc(cc2)C 1P01K25G [0,1,0,1,0,0|1,0,0]=3 1653 B14R2.20 O=C1CCC(N1)c2ccc(cc2)F 1P01BUDR [0,1,0,1,0,0|1,0,0]=3 1654 B14R2.20 O=C1CCC(N1)c2ccc(cc2)N 1P01AV7D [0,1,0,1,0,0|1,0,0]=3 1655 B14R2.20 O=C1CCC(N1)c2ccc(cc2)O 1P01BIKP [0,1,0,1,0,0|1,0,0]=3 1656 B14R2.20 O=C1CCN(C1)c2ccc(cc2)F 1P00DD89 [0,1,0,1,0,0|2,0,0]=4 1657 B14R2.20 O=C1COC(C1)c2ccc(cc2)Br 1P028F28 [0,1,0,1,0,0|2,0,0]=4 1658 B14R2.20 O=C1NCC(C1)c2ccc(cc2)Br 1P00C3WS [0,1,0,1,0,0|2,0,0]=4 1659 B14R2.20 O=C1NCC(C1)c2ccc(cc2)Cl 1P006Y65 [0,1,0,1,0,0|2,0,0]=4 1660 B14R2.20 O=C1NCC(C1)c2ccc(cc2)F 1P002TJS [0,1,0,1,0,0|2,0,0]=4 1661 B14R2.20 O=C1NCC(C1)c2ccc(cc2)N 1P01K4PN [0,1,0,1,0,0|2,0,0]=4 1662 B14R2.20 O=C1NCC(C1)c2ccc(cc2)O 1P01AQ1H [0,1,0,1,0,0|2,0,0]=4 1663 B14R2.20 O=C1NCC(O1)c2ccc(cc2)Br 1P00IILB [0,1,0,1,0,0|1,0,0]=3 1664 B14R2.20 O=C1NCC(O1)c2ccc(cc2)C 1P028WR3 [0,1,0,1,0,0|1,0,0]=3 1665 B14R2.20 O=C1NCC(O1)c2ccc(cn2)F 1P028XBC [0,1,0,1,0,0|2,0,0]=4 1666 B14R2.20 O=C1NC[C@@H](C1)c2ccc(cc2)F 1P01R4J7 [0,1,0,1,0,0|2,0,0]=4 1667 B14R2.20 O=C1NC[C@H](C1)c2ccc(cc2)F 1P01Z9PB [0,1,0,1,0,0|2,0,0]=4 1668 B14R2.20 O=C1OCC(N1)c2ccc(cc2)Br 1P00GAHJ [0,1,0,1,0,0|2,0,0]=4 1669 B14R2.20 O=C1OCC(N1)c2ccc(cc2)O 1P028OTW [0,1,0,1,0,0|2,0,0]=4 1670 B14R2.20 O=C1OC[C@H](N1)c2ccc(cc2)Cl 1P000FKJ [0,1,0,1,0,0|2,0,0]=4 1671 B14R2.4402 CC(=O)C1CC1c2ccc(cc2)F 1P00IRHD [0,1,0,1,0,0|1,0,0]=3 1672 B14R2.4402 CC(=O)[C@@H]1C[C@H]1c2ccc(cc2)F 1P029157 [0,1,0,1,0,0|1,0,0]=3 1673 B14R2.4402 ClC(=O)[C@@H]1C[C@H]1c2ccc(cc2)F 1P0290P9 [0,1,0,1,0,0|2,0,0]=4 1674 B14R2.4402 NC(=O)C1CC1c2ccc(cc2)F 1P01XL8E [0,1,0,1,0,0|2,0,0]=4 1675 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)Br 1P00G7HH [0,1,0,1,0,0|2,0,0]=4 1676 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)C 1P00GSQA [0,1,0,1,0,0|2,0,0]=4 1677 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)Cl 1P00GSRE [0,1,0,1,0,0|2,0,0]=4 1678 B14R2.4402 OC(=O)C1CC1c2ccc(cc2)F 1P003FCZ [0,1,0,1,0,0|2,0,0]=4 1679 B14R2.4402 OC(=O)[C@@H]1C[C@@H]1c2ccc(cc2)F 1P024TSW [0,1,0,1,0,0|2,0,0]=4 1680 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Br 1P00EJXD [0,1,0,1,0,0|2,0,0]=4 1681 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)Cl 1P01C3UR [0,1,0,1,0,0|2,0,0]=4 1682 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)F 1P01B8AT [0,1,0,1,0,0|2,0,0]=4 1683 B14R2.4402 OC(=O)[C@@H]1C[C@H]1c2ccc(cc2)N 1P01C0P6 [0,1,0,1,0,0|2,0,0]=4 1684 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)Br 1P0093B9 [0,1,0,1,0,0|2,0,0]=4 1685 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)Cl 1P01UOKA [0,1,0,1,0,0|2,0,0]=4 1686 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)F 1P01KYW6 [0,1,0,1,0,0|2,0,0]=4 1687 B14R2.4402 OC(=O)[C@H]1C[C@@H]1c2ccc(cc2)O 1P00IL85 [0,1,0,1,0,0|2,0,0]=4 1688 B14R2.20678 O=C1CC(C1)(C)c2ccc(cc2)Br 1P027YI1 [0,1,0,1,0,0|1,0,0]=3 1689 B14R2.20678 O=C1CC(C1)(C)c2ccc(cc2)F 1P01BEGZ [0,1,0,1,0,0|1,0,0]=3 1690 B14R2.29365 CC1CC(=O)Oc2c1ccc(c2)O 1P01BFA7 [0,1,0,1,0,0|2,0,0]=4 1691 B14R2.29365 O=C1OC(=O)c2c(C1)cc(cc2)Br 1P028JUU [0,1,0,1,0,0|1,0,1]=4 1692 B14R2.29365 O=C1OC(=O)c2c(C1)cc(cc2)Cl 1P027YSE [0,1,0,1,0,0|1,0,1]=4 1693 B14R2.29365 O=C1OC(=O)c2c(C1)cc(cc2)F 1P020IS1 [0,1,0,1,0,0|1,0,1]=4 1694 B14R2.22 O=C1CCC(C1)c2cccc(c2)Cl 1P01C2SZ [0,1,0,1,0,0|1,0,0]=3 1695 B14R2.22 O=C1CCC(C1)c2cncc(c2)F 1P01BY1W [0,1,0,1,0,0|2,0,0]=4 1696 B14R2.22 O=C1CCC(N1)c2cccc(c2)N 1P01C3H5 [0,1,0,1,0,0|1,0,0]=3 1697 B14R2.22 O=C1CCN(C1)c2cccc(c2)Br 1P01AHHP [0,1,0,1,0,0|2,0,0]=4 1698 B14R2.22 O=C1NCC(C1)c2cccc(c2)Br 1P008UMB [0,1,0,1,0,0|2,0,0]=4 1699 B14R2.22 O=C1NCC(C1)c2cccc(c2)C 1P00HA60 [0,1,0,1,0,0|2,0,0]=4 1700 B14R2.22 O=C1NCC(C1)c2cccc(c2)Cl 1P01BD1N [0,1,0,1,0,0|2,0,0]=4 1701 B14R2.22 O=C1NCC(C1)c2cccc(c2)F 1P00HA61 [0,1,0,1,0,0|2,0,0]=4 1702 B14R2.22 O=C1NCC(C1)c2cccc(c2)N 1P00ICQN [0,1,0,1,0,0|2,0,0]=4 1703 B14R2.22 O=C1NCC(C1)c2cccc(c2)O 1P018IJP [0,1,0,1,0,0|2,0,0]=4 1704 B14R2.22 O=C1NCC(O1)c2cccc(c2)Br 1P00IILC [0,1,0,1,0,0|1,0,0]=3 1705 B14R2.22 O=C1NCC(O1)c2cccc(c2)C 1P028FJL [0,1,0,1,0,0|1,0,0]=3 1706 B14R2.22 O=C1OCC(N1)c2cccc(c2)Br 1P01ELQN [0,1,0,1,0,0|2,0,0]=4 1707 B14R2.4476 CC(=O)[C@@H]1C[C@H]1c2cccc(c2)Br 1P028AKQ [0,1,0,1,0,0|1,0,0]=3 1708 B14R2.4476 OC(=O)C1CC1c2cccc(c2)Br 1P00H3HB [0,1,0,1,0,0|2,0,0]=4 1709 B14R2.4476 OC(=O)C1CC1c2cccc(c2)C 1P01A9CX [0,1,0,1,0,0|2,0,0]=4 1710 B14R2.4476 OC(=O)C1CC1c2cccc(c2)Cl 1P0039S5 [0,1,0,1,0,0|2,0,0]=4 1711 B14R2.4476 OC(=O)C1CC1c2cccc(c2)F 1P000HAC [0,1,0,1,0,0|2,0,0]=4 1712 B14R2.4476 OC(=O)[C@@H]1CC1c2cccc(c2)Br 1P00IZIN [0,1,0,1,0,0|2,0,0]=4 1713 B14R2.4476 OC(=O)[C@@H]1C[C@H]1c2cccc(c2)Br 1P01C2UE [0,1,0,1,0,0|2,0,0]=4 1714 B14R2.4476 OC(=O)[C@@H]1C[C@H]1c2cccc(c2)Cl 1P01C2UB [0,1,0,1,0,0|2,0,0]=4 1715 B14R2.4476 OC(=O)[C@@H]1C[C@H]1c2cccc(c2)F 1P01B8AS [0,1,0,1,0,0|2,0,0]=4 1716 B14R2.4476 OC(=O)[C@H]1C[C@@H]1c2cccc(c2)C 1P01BAH1 [0,1,0,1,0,0|2,0,0]=4 1717 B14R2.4476 OC(=O)[C@H]1C[C@@H]1c2cccc(c2)O 1P01BHCG [0,1,0,1,0,0|2,0,0]=4 1718 B14R2.8235 O=C1OC(=O)c2c(C1)ccc(c2)Br 1P01HZL1 [0,1,0,1,0,0|1,0,1]=4 1719 B14R2.8235 O=C1OC(=O)c2c(C1)ccc(c2)F 1P024VQ3 [0,1,0,1,0,0|1,0,1]=4 1720 B14R2.450 CC(=O)c1nc2c(n1C)cccc2 1P00IIF9 [0,1,0,1,0,0|2,0,0]=4 1721 B14R2.450 CC(=O)c1oc2c(c1C)cccc2 1P00BHRW [0,1,0,1,0,0|1,0,1]=4 1722 B14R2.450 CC(=O)c1sc2c(c1C)cccc2 1P002GZG [0,1,0,1,0,0|1,0,1]=4 1723 B14R2.450 NC(=O)N1Cc2c([C@@H]1C)cccc2 1P027TVJ [0,1,0,1,0,0|2,0,0]=4 1724 B14R2.450 NC(=O)N1Cc2c([C@H]1C)cccc2 1P027TT7 [0,1,0,1,0,0|2,0,0]=4 1725 B14R2.450 OC(=O)C1Cc2c(C1C)cccc2 1P028P8T [0,1,0,1,0,0|2,0,0]=4 1726 B14R2.450 OC(=O)C1Oc2c(C1C)cccc2 1P002MDI [0,1,0,1,0,0|2,0,0]=4 1727 B14R2.450 OC(=O)[C@@H]1Oc2c([C@@H]1C)cccc2 1P0287EP [0,1,0,1,0,0|2,0,0]=4 1728 B14R2.780 OC(=O)C1CCC1c2ccccc2 1P01JUHP [0,1,0,1,0,0|2,0,0]=4 1729 B14R2.780 OC(=O)[C@@H]1CC[C@H]1c2ccccc2 1P01JVLK [0,1,0,1,0,0|2,0,0]=4 1730 B14R2.780 OC(=O)[C@@H]1NC[C@H]1c2ccccc2 1P01EM2L [0,1,0,1,0,0|2,0,0]=4 1731 B14R2.780 OC(=O)[C@H]1CC[C@H]1c2ccccc2 1P01JVLO [0,1,0,1,0,0|2,0,0]=4 1732 B14R2.786 OC(=O)[C@@]1(C)C[C@@H]1c2ccccc2 1P01C7Q7 [0,1,0,1,0,0|2,0,0]=4 1733 B14R2.786 OC(=O)[C@@]1(F)C[C@@H]1c2ccccc2 1P01ELHQ [0,1,0,1,0,0|2,0,0]=4 1734 B14R2.786 OC(=O)[C@]1(C)C[C@H]1c2ccccc2 1P01ALS1 [0,1,0,1,0,0|2,0,0]=4 1735 B14R2.786 OC(=O)[C@]1(F)C[C@H]1c2ccccc2 1P01FJH4 [0,1,0,1,0,0|2,0,0]=4 1736 B14R2.4514 CN1C(=O)CNC1c2ccccc2 1P01B22B [0,1,0,1,0,0|2,0,0]=4 1737 B14R2.4514 NN1C(=O)CCC1c2ccccc2 1P0089IA [0,1,0,1,0,0|1,0,0]=3 1738 B14R2.4514 O=C1CC[C@H](N1C)c2cccnc2 1P00DF61 [0,1,0,1,0,0|2,0,0]=4 1739 B14R2.2 CC(=O)OC1CCc2c1cccc2 1P002TQS [0,1,0,1,0,0|0,0,0]=2 1740 B14R2.2 CC(=O)OC1CCc2c1nccc2 1P003NHN [0,1,0,1,0,0|1,0,0]=3 1741 B14R2.2 CC(=O)Oc1c[nH]c2c1cccc2 1P00E972 [0,1,0,1,0,0|0,0,2]=4 1742 B14R2.2 OC(=O)CC1CCc2c1cccc2 1P00C6QF [0,1,0,1,0,0|2,0,0]=4 1743 B14R2.2 OC(=O)CC1CNc2c1cccc2 1P01AJ24 [0,1,0,1,0,0|2,0,0]=4 1744 B14R2.2 OC(=O)CC1COc2c1cccc2 1P00GD01 [0,1,0,1,0,0|2,0,0]=4 1745 B14R2.2 OC(=O)CC1NCc2c1cccc2 1P028C5V [0,1,0,1,0,0|2,0,0]=4 1746 B14R2.2 OC(=O)CC1OCc2c1cccc2 1P01B2VI [0,1,0,1,0,0|2,0,0]=4 1747 B14R2.256 O=C1CCC(N1)c2ccccc2Br 1P000WPW [0,1,0,1,0,0|1,0,0]=3 1748 B14R2.256 O=C1CCC(N1)c2ccccc2N 1P01B5KC [0,1,0,1,0,0|1,0,0]=3 1749 B14R2.256 O=C1NCC(C1)c2ccccc2Br 1P01C5C6 [0,1,0,1,0,0|2,0,0]=4 1750 B14R2.256 O=C1NCC(C1)c2ccccc2C 1P01A92W [0,1,0,1,0,0|2,0,0]=4 1751 B14R2.256 O=C1NCC(C1)c2ccccc2F 1P01A75P [0,1,0,1,0,0|2,0,0]=4 1752 B14R2.256 O=C1NCC(C1)c2ccccc2N 1P028UTQ [0,1,0,1,0,0|2,0,0]=4 1753 B14R2.256 O=C1NCC(C1)c2ccccc2O 1P01XIDQ [0,1,0,1,0,0|2,0,0]=4 1754 B14R2.256 O=C1NCC(O1)c2ccccc2Br 1P00HTNW [0,1,0,1,0,0|1,0,0]=3 1755 B14R2.256 O=C1OCC(N1)c2ccccc2I 1P01DZJC [0,1,0,1,0,0|2,0,0]=4 1756 B14R2.5443 CC(=O)C1CC1c2ccccc2Cl 1P019WHF [0,1,0,1,0,0|1,0,0]=3 1757 B14R2.5443 CC(=O)[C@@H]1C[C@H]1c2ccccc2Cl 1P028743 [0,1,0,1,0,0|1,0,0]=3 1758 B14R2.5443 ClC(=O)[C@@H]1C[C@H]1c2ccccc2Cl 1P028XGE [0,1,0,1,0,0|2,0,0]=4 1759 B14R2.5443 OC(=O)C1CC1c2ccccc2Br 1P00GAEW [0,1,0,1,0,0|2,0,0]=4 1760 B14R2.5443 OC(=O)C1CC1c2ccccc2C 1P00FGR6 [0,1,0,1,0,0|2,0,0]=4 1761 B14R2.5443 OC(=O)C1CC1c2ccccc2Cl 1P003F84 [0,1,0,1,0,0|2,0,0]=4 1762 B14R2.5443 OC(=O)C1CC1c2ccccc2F 1P003F8F [0,1,0,1,0,0|2,0,0]=4 1763 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2Cl 1P01C1V8 [0,1,0,1,0,0|2,0,0]=4 1764 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2F 1P01DXZW [0,1,0,1,0,0|2,0,0]=4 1765 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2O 1P027ZKW [0,1,0,1,0,0|2,0,0]=4 1766 B14R2.5443 OC(=O)[C@H]1C[C@@H]1c2ccccc2Br 1P01DXV4 [0,1,0,1,0,0|2,0,0]=4 1767 B14R2.28480 CC1CC(=O)Nc2c1c(Br)ccc2 1P028RS6 [0,1,0,1,0,0|2,0,0]=4 1768 B14R2.28480 Clc1cccc2c1C(=O)OC(=O)C2 1P027WIS [0,1,0,1,0,0|1,0,1]=4 1769 B14R2.28480 Fc1cccc2c1C(=O)OC(=O)C2 1P020LFF [0,1,0,1,0,0|1,0,1]=4 1770 B14R2.1014 OC(=O)CC1(CC1)c2ccccc2 1P01B298 [0,1,0,1,0,0|2,0,0]=4 1771 B14R2.55357 CC1(C)N=S(=O)(c2c1cccc2)C 1P028BZ3 [0,1,0,1,0,0|2,0,0]=4 1772 B14R2.55357 CC1(C)OC(c2c1cccc2)(C)C 1P0009VI [0,1,0,1,0,0|1,0,1]=4 1773 B14R2.1146 NCC1CC(=O)Nc2c1cccc2 1P01AHWT [0,1,0,1,0,0|2,0,0]=4 1774 B14R2.1146 NCC1CC(=O)Nc2c1cccc2 1P01EIQP [0,1,0,1,0,0|2,0,0]=4 1775 B14R2.3449 COC1(CC(=O)C1)c2ccccc2 1P028Z85 [0,1,0,1,0,0|1,0,0]=3 1776 B14R2.3449 N#CC1(CC(=O)C1)c2ccccc2 1P00I49M [0,1,0,1,0,0|1,0,1]=4 1777 B14R2.3449 NCC1(CC(=C)C1)c2ccccc2 1P027WET [0,1,0,1,0,0|2,0,0]=4 1778 B14R2.3449 NCC1(CC(=O)C1)c2ccccc2 1P01AJOO [0,1,0,1,0,0|1,0,0]=3 1779 B10R1.18 BrC(=C)Cc1ccccc1 1P01EX2V [1,0,0,0,1,0|1,0,1]=4 1780 B10R1.18 CC(=C)Cc1ccccc1 1P003I3I [1,0,0,0,1,0|1,0,0]=3 1781 B10R1.18 CC(=Cc1ccccc1)C 1P003I29 [1,0,0,0,1,0|1,0,1]=4 1782 B10R1.18 CC(=O)C[n+]1ccccc1 1P003ECO [1,0,0,0,1,0|1,0,0]=3 1783 B10R1.18 CC(=O)Cc1ccccn1 1P003A4L [1,0,0,0,1,0|1,0,0]=3 1784 B10R1.18 CC(=O)Cc1cccnc1 1P00EAER [1,0,0,0,1,0|1,0,0]=3 1785 B10R1.18 CC(=O)Cc1cccnc1 1P00FGXO [1,0,0,0,1,0|1,0,0]=3 1786 B10R1.18 CC(=O)Cc1ccncc1 1P003MHB [1,0,0,0,1,0|1,0,0]=3 1787 B10R1.18 CC(=O)Cc1ccncc1 1P006BSJ [1,0,0,0,1,0|1,0,0]=3 1788 B10R1.18 CC(=O)Cc1cnccn1 1P005PPF [1,0,0,0,1,0|2,0,0]=4 1789 B10R1.18 CC(=O)Nc1ccccc1 1P0034W2 [1,0,0,0,1,0|1,0,0]=3 1790 B10R1.18 CC(=O)Nc1ccccn1 1P003GRA [1,0,0,0,1,0|2,0,0]=4 1791 B10R1.18 CC(=O)Nc1cccnc1 1P003J9F [1,0,0,0,1,0|2,0,0]=4 1792 B10R1.18 CC(=O)Nc1ccncc1 1P00DD6H [1,0,0,0,1,0|2,0,0]=4 1793 B10R1.18 CC(=O)Oc1ccccc1 1P00170L [1,0,0,0,1,0|0,0,0]=2 1794 B10R1.18 CC(=O)Oc1cccnc1 1P0025SK [1,0,0,0,1,0|1,0,0]=3 1795 B10R1.18 CC(=O)Sc1ccccc1 1P003UVL [1,0,0,0,1,0|0,1,0]=3 1796 B10R1.18 CC(=S)Nc1ccccc1 1P003V8U [1,0,0,0,1,0|1,1,0]=4 1797 B10R1.18 CC(Cc1ccccc1)Br 1P002LSK [1,0,0,0,1,0|1,0,1]=4 1798 B10R1.18 CC(Cc1ccccc1)C 1P003RJR [1,0,0,0,1,0|1,0,1]=4 1799 B10R1.18 CC(Cc1ccccc1)O 1P001LSG [1,0,0,0,1,0|0,0,2]=4 1800 B10R1.18 CC(Oc1ccccc1)C 1P00I5NQ [1,0,0,0,1,0|1,0,1]=4 1801 B10R1.18 CN(Cc1ccccc1)C 1P003T1M [1,0,0,0,1,0|2,0,0]=4 1802 B10R1.18 CN(Cc1ccccc1)O 1P0287XD [1,0,0,0,1,0|1,0,1]=4 1803 B10R1.18 CP(Cc1ccccc1)C 1P001BOC [1,0,0,0,1,0|2,0,0]=4 1804 B10R1.18 C[C@@H](Cc1ccccc1)O 1P003UMM [1,0,0,0,1,0|0,0,2]=4 1805 B10R1.18 C[C@H](Cc1ccccc1)O 1P001PQQ [1,0,0,0,1,0|0,0,2]=4 1806 B10R1.18 C[SiH](Cc1ccccc1)C 1P001U89 [1,0,0,0,1,0|1,1,0]=4 1807 B10R1.18 ClC(=O)Cc1ccccc1 1P0035XP [1,0,0,0,1,0|1,0,0]=3 1808 B10R1.18 ClC(=O)Nc1ccccc1 1P01B2IA [1,0,0,0,1,0|2,0,0]=4 1809 B10R1.18 ClC(=S)Oc1ccccc1 1P0002M7 [1,0,0,0,1,0|1,1,0]=4 1810 B10R1.18 NC(=N)Cc1ccccc1 1P002QJI [1,0,0,0,1,0|2,0,0]=4 1811 B10R1.18 NC(=O)C[n+]1ccccc1 1P003DIN [1,0,0,0,1,0|2,0,0]=4 1812 B10R1.18 NC(=O)Cc1ccccc1 1P0032QS [1,0,0,0,1,0|1,0,0]=3 1813 B10R1.18 NC(=O)Cc1ccccn1 1P003UJ1 [1,0,0,0,1,0|2,0,0]=4 1814 B10R1.18 NC(=O)Cc1cccnc1 1P003FL2 [1,0,0,0,1,0|2,0,0]=4 1815 B10R1.18 NC(=O)Cc1ccncc1 1P003UJ8 [1,0,0,0,1,0|2,0,0]=4 1816 B10R1.18 NC(=O)Nc1ccccc1 1P00E9LB [1,0,0,0,1,0|2,0,0]=4 1817 B10R1.18 NC(=O)Oc1ccccc1 1P003U5L [1,0,0,0,1,0|1,0,0]=3 1818 B10R1.18 NC(=S)Cc1ccccc1 1P0032QT [1,0,0,0,1,0|1,1,0]=4 1819 B10R1.18 NS(=O)Cc1ccccc1 1P01BG08 [1,0,0,0,1,0|2,0,0]=4 1820 B10R1.18 OC(=O)C[n+]1ccccc1 1P01EUQ6 [1,0,0,0,1,0|2,0,0]=4 1821 B10R1.18 OC(=O)Cc1ccccc1 1P003OC7 [1,0,0,0,1,0|1,0,0]=3 1822 B10R1.18 OC(=O)Cc1ccccn1 1P001WD0 [1,0,0,0,1,0|2,0,0]=4 1823 B10R1.18 OC(=O)Cc1cccnc1 1P00348U [1,0,0,0,1,0|2,0,0]=4 1824 B10R1.18 OC(=O)Cc1cccnc1 1P00I9F0 [1,0,0,0,1,0|2,0,0]=4 1825 B10R1.18 OC(=O)Cc1ccncc1 1P0034LT [1,0,0,0,1,0|2,0,0]=4 1826 B10R1.18 OC(=O)Cc1ccncc1 1P00BCK4 [1,0,0,0,1,0|2,0,0]=4 1827 B10R1.18 OC(=O)Nc1ccccc1 1P007CT0 [1,0,0,0,1,0|2,0,0]=4 1828 B10R1.18 OS(=O)Cc1ccccc1 1P01C4HC [1,0,0,0,1,0|2,0,0]=4 1829 B10R1.18 [O-]C(=O)C[n+]1ccccc1 1P00EKK8 [1,0,0,0,1,0|2,0,0]=4 1830 B10R1.18 [O-]S(=O)Cc1ccccc1 1P01BCPB [1,0,0,0,1,0|2,0,0]=4 1831 B10R1.18 [O-][N+](=O)Cc1ccccc1 1P019DUF [1,0,0,0,1,0|2,0,0]=4 1832 B10R1.66 CC(=O)CCc1ccco1 1P00667T [1,0,0,0,1,0|2,0,0]=4 1833 B10R1.66 CC(=O)CCc1cscc1 1P01ACGI [1,0,0,0,1,0|2,0,0]=4 1834 B10R1.66 CC(=O)NCc1ccco1 1P00J0T7 [1,0,0,0,1,0|2,0,0]=4 1835 B10R1.66 CC(=O)NCc1cccs1 1P00CBVA [1,0,0,0,1,0|2,0,0]=4 1836 B10R1.66 CC(=O)OC=C1C=CC=C1 1P01DQRM [1,0,0,0,1,0|0,0,1]=3 1837 B10R1.66 CC(=O)OCc1ccco1 1P003R5Z [1,0,0,0,1,0|1,0,0]=3 1838 B10R1.66 CC(=O)SCc1ccco1 1P0012TI [1,0,0,0,1,0|1,1,0]=4 1839 B10R1.66 CC(=S)OCc1ccco1 1P020IQY [1,0,0,0,1,0|1,1,0]=4 1840 B10R1.23 CC(n1cccc1)C(=O)O 1P00ECFR [0,0,0,0,2,0|2,0,0]=4 1841 B10R1.23 OC(=O)C(c1ccco1)C 1P01ALA0 [0,0,0,0,2,0|2,0,0]=4 1842 B10R1.23 OC(=O)C(c1cccs1)C 1P00E560 [0,0,0,0,2,0|2,0,0]=4 1843 B10R1.23 OC(=O)C(c1cocc1)C 1P01NNRB [0,0,0,0,2,0|2,0,0]=4 1844 B10R1.23 OC(=O)C(c1cscc1)C 1P01AKDO [0,0,0,0,2,0|2,0,0]=4 1845 B12R1.32 CC(Cc1ccccc1)N=C=O 1P019Z45 [1,0,0,0,0,1|1,0,1]=4 1846 B12R1.32 CCCC(Nc1ccccc1)C 1P019XTJ [1,0,0,0,0,1|1,0,1]=4 1847 B12R1.32 CNCC(Cc1ccccc1)C 1P01DXOI [1,0,0,0,0,1|2,0,0]=4 1848 B12R1.252 BrC(=C)COCc1ccccc1 1P008MC1 [1,0,0,0,0,1|1,0,1]=4 1849 B12R1.252 CC(=C)CNCc1ccccc1 1P00DBDE [1,0,0,0,0,1|2,0,0]=4 1850 B12R1.252 CC(=C)CNCc1ccccc1 1P00J4BM [1,0,0,0,0,1|2,0,0]=4 1851 B12R1.252 CC(=C)COCc1ccccc1 1P01BA3U [1,0,0,0,0,1|1,0,0]=3 1852 B12R1.252 CC(=O)C=CSc1ccccc1 1P006LAB [1,0,0,0,0,1|1,0,1]=4 1853 B12R1.252 CC(=O)CCCc1ccccc1 1P00BKCG [1,0,0,0,0,1|1,0,0]=3 1854 B12R1.252 CC(=O)CCCc1cccnc1 1P01C247 [1,0,0,0,0,1|2,0,0]=4 1855 B12R1.252 CC(=O)CNCc1ccccc1 1P028IS2 [1,0,0,0,0,1|1,0,0]=3 1856 B12R1.252 CC(=O)COCc1ccccc1 1P003OLS [1,0,0,0,0,1|0,0,0]=2 1857 B12R1.252 CC(=O)NCCc1ccccc1 1P003SVL [1,0,0,0,0,1|1,0,0]=3 1858 B12R1.252 CC(=O)NCCc1ccncc1 1P0063BR [1,0,0,0,0,1|2,0,0]=4 1859 B12R1.252 CC(=O)OCCc1ccccc1 1P003U4N [1,0,0,0,0,1|0,0,0]=2 1860 B12R1.252 CC(COCc1ccccc1)Br 1P0281VF [1,0,0,0,0,1|1,0,1]=4 1861 B12R1.252 CC(COCc1ccccc1)N 1P00HDBY [1,0,0,0,0,1|1,0,1]=4 1862 B12R1.252 CC(COCc1ccccc1)O 1P0018ES [1,0,0,0,0,1|0,0,2]=4 1863 B12R1.252 C[C@@H](COCc1ccccc1)N 1P01AFQZ [1,0,0,0,0,1|1,0,1]=4 1864 B12R1.252 C[C@@H](COCc1ccccc1)O 1P003CWE [1,0,0,0,0,1|0,0,2]=4 1865 B12R1.252 C[C@H](COCc1ccccc1)N 1P01DTD3 [1,0,0,0,0,1|1,0,1]=4 1866 B12R1.252 C[C@H](COCc1ccccc1)O 1P003CIY [1,0,0,0,0,1|0,0,2]=4 1867 B12R1.252 ClC(=O)CCCc1ccccc1 1P003MG0 [1,0,0,0,0,1|2,0,0]=4 1868 B12R1.252 ClC(=O)CCOc1ccccc1 1P00CF5O [1,0,0,0,0,1|2,0,0]=4 1869 B12R1.252 ClC(=O)COCc1ccccc1 1P002BQR [1,0,0,0,0,1|1,0,0]=3 1870 B12R1.252 ClC(=O)OCCc1ccccc1 1P01ALYN [1,0,0,0,0,1|1,0,0]=3 1871 B12R1.252 FC(=COCc1ccccc1)F 1P028VSQ [1,0,0,0,0,1|2,0,0]=4 1872 B12R1.252 NC(=N)COCc1ccccc1 1P00BMIX [1,0,0,0,0,1|2,0,0]=4 1873 B12R1.252 NC(=O)CCNc1ccccc1 1P002L3F [1,0,0,0,0,1|2,0,0]=4 1874 B12R1.252 NC(=O)CNCc1ccccc1 1P00C7ZJ [1,0,0,0,0,1|2,0,0]=4 1875 B12R1.252 NC(=O)COCc1ccccc1 1P00IAQR [1,0,0,0,0,1|1,0,0]=3 1876 B12R1.252 NC(=O)NCCc1ccccc1 1P00BVLQ [1,0,0,0,0,1|2,0,0]=4 1877 B12R1.252 NC(=O)NOCc1ccccc1 1P002A6F [1,0,0,0,0,1|1,0,0]=3 1878 B12R1.252 NC(=S)COCc1ccccc1 1P01AHUB [1,0,0,0,0,1|1,1,0]=4 1879 B12R1.252 OC(=O)CCCc1ccccc1 1P0023U1 [1,0,0,0,0,1|2,0,0]=4 1880 B12R1.252 OC(=O)CCNc1ccccc1 1P003427 [1,0,0,0,0,1|2,0,0]=4 1881 B12R1.252 OC(=O)CCOc1ccccc1 1P003KBS [1,0,0,0,0,1|2,0,0]=4 1882 B12R1.252 OC(=O)CCSc1ccccc1 1P00D9EP [1,0,0,0,0,1|2,0,0]=4 1883 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8F [1,0,0,0,0,1|2,0,0]=4 1884 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8G [1,0,0,0,0,1|2,0,0]=4 1885 B12R1.252 OC(=O)COCc1ccccc1 1P0030DV [1,0,0,0,0,1|1,0,0]=3 1886 B12R1.252 OC(=O)COCc1ccccn1 1P01BBSG [1,0,0,0,0,1|2,0,0]=4 1887 B12R1.252 OC(=O)COCc1cccnc1 1P01BBMF [1,0,0,0,0,1|2,0,0]=4 1888 B12R1.252 OC(=O)COCc1ccncc1 1P000DSM [1,0,0,0,0,1|2,0,0]=4 1889 B12R1.252 OC(=O)CSCc1ccccc1 1P003CG9 [1,0,0,0,0,1|1,1,0]=4 1890 B12R1.252 [O-]C(=O)CCCc1ccccc1 1P00AP0B [1,0,0,0,0,1|2,0,0]=4 1891 B14R1.420 CC(c1ccccc1)CCCC(=O)O 1P028YI2 [0,0,0,0,0,2|2,0,0]=4 1892 B14R1.420 CC(c1ccccc1)CCNC(=O)N 1P01A60A [0,0,0,0,0,2|2,0,0]=4 1893 B14R1.420 CC(c1ccccc1)COCC(=O)O 1P01C5V9 [0,0,0,0,0,2|1,0,0]=3 1894 B14R1.420 O=C(c1ccccc1)CCOC(=O)C 1P0061PC [0,0,0,0,0,2|1,0,1]=4 1895 B14R1.423 CN(Cc1ccccc1)CCC(=O)C 1P001X4G [0,0,0,0,0,2|2,0,0]=4 1896 B14R1.818 CC(CC(=O)O)CCc1ccccc1 1P01A85K [0,0,0,0,0,2|2,0,0]=4