0 B14R1.623 CCOC(=O)c1ccccc1B(O)O 1P00BYX8 [0,0,0,0,0,0|1,0,1]=2 1 B14R1.623 CCOC(=O)c1ccccc1C(=O)C 1P0038PY [0,0,0,0,0,0|1,0,0]=1 2 B14R1.623 CCOC(=O)c1ccccc1N(C)C 1P00IACM [0,0,0,0,0,0|3,0,0]=3 3 B14R1.623 CCOC(=O)c1ccccc1[N+](=O)[O-] 1P003QLO [0,0,0,0,0,0|1,0,1]=2 4 B14R1.623 CCOC(=O)c1cccnc1C(=O)C 1P00I953 [0,0,0,0,0,0|2,0,0]=2 5 B14R1.623 CCOC(=O)c1cccnc1C(F)F 1P01FSND [0,0,0,0,0,0|3,0,1]=4 6 B14R1.623 CCOC(=O)c1ncccc1C(=O)O 1P024TY5 [0,0,0,0,0,0|1,0,0]=1 7 B14R1.623 CCOC(=O)c1ncccc1C(C)C 1P01KLPH [0,0,0,0,0,0|3,0,1]=4 8 B14R1.623 CCOC(=O)c1ncccc1[N+](=O)[O-] 1P002M14 [0,0,0,0,0,0|2,0,1]=3 9 B13R1.464 CCNC(=O)c1ccccc1C=O 1P01DZMF [1,0,0,0,0,0|1,0,0]=2 10 B13R1.464 CCOC(=O)c1ccccc1C#N 1P00EGC9 [1,0,0,0,0,0|1,0,1]=3 11 B13R1.464 CCOC(=O)c1ccccc1C=C 1P00BYNX [1,0,0,0,0,0|1,0,0]=2 12 B13R1.464 CCOC(=O)c1ccccc1C=O 1P00I76W [1,0,0,0,0,0|0,0,0]=1 13 B13R1.464 CCOC(=O)c1ccccc1CBr 1P005L5N [1,0,0,0,0,0|1,0,1]=3 14 B13R1.464 CCOC(=O)c1ccccc1CCl 1P00HYKI [1,0,0,0,0,0|1,0,1]=3 15 B13R1.464 CCOC(=O)c1ccccc1NC 1P00CJ7M [1,0,0,0,0,0|2,0,0]=3 16 B13R1.464 CCOC(=O)c1ccccc1NC 1P028EAO [1,0,0,0,0,0|2,0,0]=3 17 B13R1.464 CCOC(=O)c1ccccc1OC 1P003QL8 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.464 CCOC(=O)c1cccnc1C#N 1P005MIY [1,0,0,0,0,0|2,0,1]=4 19 B13R1.464 CCOC(=O)c1cccnc1CCl 1P000N7P [1,0,0,0,0,0|2,0,1]=4 20 B13R1.464 CCOC(=O)c1cccnc1CN 1P00FHQZ [1,0,0,0,0,0|2,0,1]=4 21 B13R1.464 CCOC(=O)c1cccnc1CO 1P01K11B [1,0,0,0,0,0|1,0,1]=3 22 B13R1.464 CCOC(=O)c1cccnc1NC 1P019U2D [1,0,0,0,0,0|3,0,0]=4 23 B13R1.464 CCOC(=O)c1cccnc1NN 1P002Y7C [1,0,0,0,0,0|3,0,0]=4 24 B13R1.464 CCOC(=O)c1ncccc1CN 1P028B8D [1,0,0,0,0,0|2,0,1]=4 25 B13R1.547 BrCC(=O)c1ccccc1C(=O)O 1P005J6N [1,0,0,0,0,0|1,0,0]=2 26 B13R1.547 BrCC(=O)c1ccccc1[N+](=O)[O-] 1P003H32 [1,0,0,0,0,0|2,0,1]=4 27 B13R1.547 CCC(=O)c1ccccc1C(=O)O 1P002OBQ [1,0,0,0,0,0|0,0,0]=1 28 B13R1.547 CCC(=O)c1ccccc1[N+](=O)[O-] 1P001ZWM [1,0,0,0,0,0|1,0,1]=3 29 B13R1.547 CCS(=O)c1ccccc1C(=O)O 1P00I8K5 [1,0,0,0,0,0|1,0,0]=2 30 B13R1.547 CNC(=O)c1ccccc1B(O)O 1P00H25J [1,0,0,0,0,0|2,0,1]=4 31 B13R1.547 COC(=O)c1ccccc1B(O)O 1P003I0M [1,0,0,0,0,0|1,0,1]=3 32 B13R1.547 COC(=O)c1ccccc1C(=O)C 1P0097A7 [1,0,0,0,0,0|1,0,0]=2 33 B13R1.547 COC(=O)c1ccccc1C(=O)Cl 1P00DD8D [1,0,0,0,0,0|1,0,0]=2 34 B13R1.547 COC(=O)c1ccccc1C(=O)N 1P00IGNZ [1,0,0,0,0,0|1,0,0]=2 35 B13R1.547 COC(=O)c1ccccc1C(=O)O 1P003SMF [1,0,0,0,0,0|0,0,0]=1 36 B13R1.547 COC(=O)c1ccccc1C(C)C 1P00IC1H [1,0,0,0,0,0|2,0,1]=4 37 B13R1.547 COC(=O)c1ccccc1N(C)C 1P00036J [1,0,0,0,0,0|3,0,0]=4 38 B13R1.547 COC(=O)c1ccccc1[C@H](N)C 1P01DTYR [1,0,0,0,0,0|2,0,1]=4 39 B13R1.547 COC(=O)c1ccccc1[N+](=O)[O-] 1P003S5L [1,0,0,0,0,0|1,0,1]=3 40 B13R1.547 COC(=O)c1cccnc1C(=O)C 1P01BVZJ [1,0,0,0,0,0|2,0,0]=3 41 B13R1.547 COC(=O)c1cccnc1C(=O)O 1P00BCRB [1,0,0,0,0,0|1,0,0]=2 42 B13R1.547 COC(=O)c1ccncc1C(=O)O 1P00BD9P [1,0,0,0,0,0|1,0,0]=2 43 B13R1.547 COC(=O)c1ccncc1[N+](=O)[O-] 1P003S9V [1,0,0,0,0,0|2,0,1]=4 44 B13R1.547 COC(=O)c1cnccc1C(=O)O 1P00C4SH [1,0,0,0,0,0|1,0,0]=2 45 B13R1.547 COC(=O)c1ncccc1C(=O)O 1P00BDOF [1,0,0,0,0,0|1,0,0]=2 46 B13R1.547 COC(=O)c1ncccc1[N+](=O)[O-] 1P0094AB [1,0,0,0,0,0|2,0,1]=4 47 B13R1.547 COC(=O)c1nccnc1C(=O)O 1P01C31F [1,0,0,0,0,0|2,0,0]=3 48 B13R1.547 FCC(=O)c1ccccc1[N+](=O)[O-] 1P028P5P [1,0,0,0,0,0|2,0,1]=4 49 B13R1.547 [O-]OC(=O)c1ccccc1C(=O)[O-] 1P000WJW [1,0,0,0,0,0|1,0,1]=3 50 B13R1.547 [O-]OC(=O)c1ccccc1C(=O)[O-] 1P008114 [1,0,0,0,0,0|1,0,1]=3 51 B13R1.547 [O-][N+](=O)c1ncccc1C(=O)OC 1P01K1SK [1,0,0,0,0,0|2,0,1]=4 52 B13R1.572 CCCNc1ccccc1C(=O)O 1P00BF8Z [1,0,0,0,0,0|2,0,0]=3 53 B13R1.572 CCCOc1ccccc1C(=O)O 1P002KZY [1,0,0,0,0,0|2,0,0]=3 54 B13R1.572 CCCOc1cccnc1C(=O)O 1P001JX6 [1,0,0,0,0,0|3,0,0]=4 55 B13R1.572 CCCSc1ccccc1C(=O)O 1P00BIRW [1,0,0,0,0,0|2,0,0]=3 56 B13R1.572 CCOCc1ccccc1B(O)O 1P004L33 [1,0,0,0,0,0|1,0,2]=4 57 B13R1.572 CCSCc1ccccc1C(=O)O 1P0025I1 [1,0,0,0,0,0|0,1,1]=3 58 B13R1.572 CC[Hg]Sc1ccccc1C(=O)[O-] 1P00JKZ4 [1,0,0,0,0,0|2,0,1]=4 59 B13R1.572 CNCCc1ccccc1C(=O)O 1P01A7E4 [1,0,0,0,0,0|2,0,1]=4 60 B13R1.572 CNCCc1ccccc1C(=O)O 1P028IAJ [1,0,0,0,0,0|2,0,1]=4 61 B13R1.572 FCCOc1ccccc1C(=O)O 1P01KU0K [1,0,0,0,0,0|3,0,0]=4 62 B13R1.572 NCCSc1ccccc1C(=O)O 1P001M5O [1,0,0,0,0,0|3,0,0]=4 63 B13R1.572 OCCNc1ccccc1C(=O)O 1P00BFQU [1,0,0,0,0,0|3,0,0]=4 64 B13R1.572 OCCSc1ccccc1C(=O)O 1P00ELPJ [1,0,0,0,0,0|3,0,0]=4 65 B15R1.765 CCOC(=O)c1cc(C)ccc1[N+](=O)[O-] 1P01CUJS [0,1,0,0,0,0|1,0,1]=3 66 B15R1.765 CCOC(=O)c1cc(Cl)ccc1B(O)O 1P004SYJ [0,1,0,0,0,0|1,0,1]=3 67 B15R1.765 CCOC(=O)c1cc(Cl)ncc1N(=O)=O 1P00ISBC [0,1,0,0,0,0|2,0,1]=4 68 B15R1.765 CCOC(=O)c1cc(F)ccc1B(O)O 1P003C0T [0,1,0,0,0,0|1,0,1]=3 69 B15R1.765 [O-][N+](=O)c1ccc(cc1C(=O)OCC)Cl 1P00I9NF [0,1,0,0,0,0|1,0,1]=3 70 B15R1.765 [O-][N+](=O)c1ccc(cc1C(=O)OCC)F 1P00CJJ0 [0,1,0,0,0,0|1,0,1]=3 71 B15R1.765 [O-][N+](=O)c1ccc(nc1C(=O)OCC)Cl 1P01FT4A [0,1,0,0,0,0|2,0,1]=4 72 B15R1.811 CCOC(=O)c1ccccc1C(F)(F)F 1P00E9OV [0,1,0,0,0,0|2,0,1]=4 73 B15R1.811 CCOC(=O)c1ccccc1S(=O)(=O)Cl 1P009KZO [0,1,0,0,0,0|1,0,1]=3 74 B15R1.811 CCOC(=O)c1ccccc1S(=O)(=O)N 1P00IB2H [0,1,0,0,0,0|1,0,1]=3 75 B15R1.811 CCOC(=O)c1ccccc1S(=O)(=O)[O-] 1P01FAM3 [0,1,0,0,0,0|1,0,1]=3 76 B15R1.811 CCOC(=O)c1ccccc1[B-](F)(F)F 1P004YV5 [0,1,0,0,0,0|3,0,0]=4 77 B15R1.811 CCOC(=O)c1cccnc1S(=O)(=O)F 1P01A26H [0,1,0,0,0,0|2,0,1]=4 78 B15R1.811 CCOC(=O)c1cccnc1S(=O)(=O)N 1P01A4EV [0,1,0,0,0,0|2,0,1]=4 79 B15R1.811 CCOC(=O)c1ccncc1S(=O)(=O)Cl 1P0031DP [0,1,0,0,0,0|2,0,1]=4 80 B15R1.1239 OCCOC(=O)c1ccccc1C(=O)[O-] 1P0025EV [0,1,0,0,0,0|0,0,1]=2 81 B15R1.1343 CCC(=O)N(c1ccccc1C(=O)O)C 1P019TNN [0,1,0,0,0,0|3,0,0]=4 82 B15R1.3598 CCCS(=O)(=O)c1ccccc1C(=O)O 1P0099GU [0,1,0,0,0,0|2,0,0]=3 83 B15R1.5509 CC(OC(=O)c1ccccc1B(O)O)C 1P0251H7 [0,1,0,0,0,0|1,0,1]=3 84 B15R1.5509 CC(OC(=O)c1ccccc1C(=O)O)C 1P007G88 [0,1,0,0,0,0|0,0,0]=1 85 B15R1.5509 CC(OC(=O)c1ncccc1C(=O)[O-])C 1P00819J [0,1,0,0,0,0|1,0,1]=3 86 B15R1.10569 CCOC(=O)c1ccc(cc1B(O)O)Cl 1P004UCA [0,1,0,0,0,0|1,0,1]=3 87 B15R1.10569 CCOC(=O)c1ccc(cc1B(O)O)F 1P00H8KB [0,1,0,0,0,0|1,0,1]=3 88 B15R1.10569 CCOC(=O)c1ccc(cc1C(=O)C)Br 1P028X77 [0,1,0,0,0,0|1,0,0]=2 89 B15R1.10569 CCOC(=O)c1ccc(cc1[N+](=O)[O-])Br 1P00I9WR [0,1,0,0,0,0|1,0,1]=3 90 B15R1.10569 CCOC(=O)c1ccc(cc1[N+](=O)[O-])F 1P009OH2 [0,1,0,0,0,0|1,0,1]=3 91 B15R1.10569 CCOC(=O)c1ccc(cc1[N+](=O)[O-])N 1P004S07 [0,1,0,0,0,0|1,0,1]=3 92 B15R1.10569 CCOC(=O)c1ccc(cc1[N+](=O)[O-])O 1P007YLH [0,1,0,0,0,0|1,0,1]=3 93 B15R1.10569 CCOC(=O)c1ncc(cc1[N+](=O)[O-])Br 1P027YQ9 [0,1,0,0,0,0|2,0,1]=4 94 B15R1.10602 CCOC(=O)c1cccc(c1[N+](=O)[O-])C 1P00E4GI [0,1,0,0,0,0|1,0,1]=3 95 B15R1.10602 [O-][N+](=O)c1c(cccc1Cl)C(=O)OCC 1P01ACXF [0,1,0,0,0,0|1,0,1]=3 96 B15R1.10602 [O-][N+](=O)c1c(cccc1F)C(=O)OCC 1P001U4K [0,1,0,0,0,0|1,0,1]=3 97 B15R1.10602 [O-][N+](=O)c1c(cccc1N)C(=O)OCC 1P00AMN3 [0,1,0,0,0,0|1,0,1]=3 98 B15R1.10602 [O-][N+](=O)c1c(cccc1O)C(=O)OCC 1P00GQ4J [0,1,0,0,0,0|1,0,1]=3 99 B15R1.10602 [O-][N+](=O)c1c(ccnc1Cl)C(=O)OCC 1P00HTCU [0,1,0,0,0,0|2,0,1]=4 100 B15R1.10616 CCOC(=O)c1c(F)cccc1[N+](=O)[O-] 1P000GGQ [0,1,0,0,0,0|1,0,1]=3 101 B15R2.1221 OC(=O)c1ccccc1N2CCCC2 1P003F6K [0,0,0,1,0,0|3,0,0]=4 102 B15R2.1221 OC(=O)c1ccccc1N2CCCC2 1P00I217 [0,0,0,1,0,0|3,0,0]=4 103 B15R2.1221 OC(=O)c1ccccc1c2cnco2 1P003FEU [0,0,0,1,0,0|2,0,1]=4 104 B15R2.1221 OC(=O)c1cnccc1C2OCCO2 1P0286P0 [0,0,0,1,0,0|1,0,2]=4 105 B15R2.4382 CCOc1ccc(c2c1cccc2)Br 1P00C4QM [0,0,0,1,0,0|3,0,0]=4 106 B15R2.4382 CCOc1ccc(c2c1cccc2)N 1P00FEX9 [0,0,0,1,0,0|3,0,0]=4 107 B15R2.4382 CCOc1ccc(c2c1cccc2)N 1P0287R1 [0,0,0,1,0,0|3,0,0]=4 108 B15R2.4382 CCOc1nnc(c2c1cccc2)Cl 1P00BQL1 [0,0,0,1,0,0|3,0,0]=4 109 B15R2.9803 OC(=O)c1cccc2c1C(=O)NC2=O 1P01AFZP [0,0,0,1,0,0|2,0,1]=4 110 B15R2.16326 [O-]C(=O)c1ccccc1C2(C)CCO2 1P01FJFW [0,0,0,1,0,0|1,0,2]=4 111 B15R2.19973 COC1=CC(=O)c2c(C1=O)cccc2 1P002NU9 [0,0,0,1,0,0|3,0,0]=4 112 B15R2.61345 OC(=O)c1cccc2c1B(O)OCC2 1P01S0JJ [0,0,0,1,0,0|1,0,1]=3 113 B15R2.61345 OC(=O)c1cccc2c1C(=O)CCC2 1P00G8VK [0,0,0,1,0,0|1,0,0]=2 114 B15R2.61345 OC(=O)c1cccc2c1C(=O)CCN2 1P01DWGI [0,0,0,1,0,0|2,0,0]=3 115 B15R2.61345 OC(=O)c1cccc2c1c(=O)[nH]cc2 1P000CVZ [0,0,0,1,0,0|1,0,2]=4 116 B15R2.61345 OC(=O)c1cccc2c1c(=O)[nH]cn2 1P002KCB [0,0,0,1,0,0|2,0,1]=4 117 B15R2.61345 OC(=O)c1cccc2c1c(=O)[nH]nc2 1P0285LQ [0,0,0,1,0,0|2,0,1]=4 118 B15R2.65988 O=C1CCCS(=O)(=O)c2c1cccc2 1P01A86R [0,0,0,1,0,0|2,0,1]=4 119 B13R1.467 CCOC(=O)c1c[nH]cc1C(=O)O 1P028RLK [0,0,0,0,1,0|1,0,0]=2 120 B13R1.467 CCOC(=O)c1conc1C(=O)O 1P01DWFR [0,0,0,0,1,0|2,0,0]=3 121 B13R1.467 CCOC(=O)c1nc[nH]c1C(=O)O 1P00J305 [0,0,0,0,1,0|2,0,0]=3 122 B13R1.467 CCOC(=O)c1nocc1C(=O)C 1P028ELH [0,0,0,0,1,0|3,0,0]=4 123 B13R1.467 CCOC(=O)c1occc1B(O)O 1P000G33 [0,0,0,0,1,0|2,0,1]=4 124 B15R1.810 CCOC(=O)c1ccccc1OC(=O)C 1P003QJI [0,0,0,0,0,1|1,0,0]=2 125 B15R1.810 CCOC(=O)c1ccccc1OC(=O)N 1P01C3AX [0,0,0,0,0,1|1,0,0]=2 126 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)O 1P00ECIS [0,0,0,0,0,1|1,0,0]=2 127 B15R1.1274 CCCC(=O)Nc1ccncc1C(=O)O 1P028JCE [0,0,0,0,0,1|2,0,0]=3 128 B15R1.1274 CCCC(=O)Oc1ccccc1[N+](=O)[O-] 1P002Q6K [0,0,0,0,0,1|2,0,1]=4 129 B15R1.1274 CCNC(=O)Nc1ccccc1C(=O)O 1P0185SE [0,0,0,0,0,1|1,0,0]=2 130 B15R1.1274 CCOC(=O)Cc1ccccc1[N+](=O)[O-] 1P003QLQ [0,0,0,0,0,1|1,0,1]=3 131 B15R1.1274 CCOC(=O)Cc1ccncc1[N+](=O)[O-] 1P006QOK [0,0,0,0,0,1|2,0,1]=4 132 B15R1.1274 CCOC(=O)Cc1ncccc1C(=O)O 1P00C7FV [0,0,0,0,0,1|1,0,0]=2 133 B15R1.1274 CCOC(=O)Cc1ncccc1[N+](=O)[O-] 1P007Y8T [0,0,0,0,0,1|2,0,1]=4 134 B15R1.1274 CCOC(=O)Nc1ccccc1C(=O)C 1P00IBBP [0,0,0,0,0,1|1,0,0]=2 135 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)O 1P019JPG [0,0,0,0,0,1|2,0,0]=3 136 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)O 1P019O0K [0,0,0,0,0,1|2,0,0]=3 137 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)N 1P028VRD [0,0,0,0,0,1|3,0,0]=4 138 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)O 1P00C2BJ [0,0,0,0,0,1|2,0,0]=3 139 B15R1.1274 ClCCC(=O)Nc1ccccc1C(=O)C 1P00226R [0,0,0,0,0,1|3,0,0]=4 140 B15R1.1274 ClCCC(=O)Nc1ccccc1C(=O)N 1P00BJKJ [0,0,0,0,0,1|3,0,0]=4 141 B15R1.1274 [O-][N+](=O)c1ncccc1NC(=O)OCC 1P01A17Z [0,0,0,0,0,1|2,0,1]=4 142 B12R1.77 CCC(=O)c1ccccc1CC 1P001YD3 [2,0,0,0,0,0|1,0,1]=4 143 B12R1.77 CNC(=O)c1ccccc1C=O 1P000EDL [2,0,0,0,0,0|1,0,0]=3 144 B12R1.77 CNC(=O)c1ccccc1CO 1P00I8AZ [2,0,0,0,0,0|1,0,1]=4 145 B12R1.77 COC(=O)c1ccccc1C#C 1P003999 [2,0,0,0,0,0|1,0,1]=4 146 B12R1.77 COC(=O)c1ccccc1C#N 1P003S4C [2,0,0,0,0,0|1,0,1]=4 147 B12R1.77 COC(=O)c1ccccc1C=C 1P00BFT9 [2,0,0,0,0,0|1,0,0]=3 148 B12R1.77 COC(=O)c1ccccc1C=O 1P003A3B [2,0,0,0,0,0|0,0,0]=2 149 B12R1.77 COC(=O)c1ccccc1CBr 1P007OKT [2,0,0,0,0,0|1,0,1]=4 150 B12R1.77 COC(=O)c1ccccc1CC 1P00DUHC [2,0,0,0,0,0|1,0,1]=4 151 B12R1.77 COC(=O)c1ccccc1CCl 1P003S48 [2,0,0,0,0,0|1,0,1]=4 152 B12R1.77 COC(=O)c1ccccc1CN 1P00G4Z9 [2,0,0,0,0,0|1,0,1]=4 153 B12R1.77 COC(=O)c1ccccc1CS 1P01C64T [2,0,0,0,0,0|0,1,1]=4 154 B12R1.77 COC(=O)c1ccccc1NC 1P004R73 [2,0,0,0,0,0|2,0,0]=4 155 B12R1.77 COC(=O)c1ccccc1NN 1P00BEI6 [2,0,0,0,0,0|2,0,0]=4 156 B12R1.77 COC(=O)c1ccccc1OC 1P003S56 [2,0,0,0,0,0|2,0,0]=4 157 B12R1.77 COC(=O)c1ccccc1SC 1P007CSX [2,0,0,0,0,0|2,0,0]=4 158 B12R1.77 COC(=O)c1ccccc1[N+]#[C-] 1P00FAYC [2,0,0,0,0,0|2,0,0]=4 159 B12R1.77 COC(=O)c1cccnc1C=O 1P00BJDW [2,0,0,0,0,0|1,0,0]=3 160 B12R1.77 COC(=O)c1ccncc1C=C 1P01EMK4 [2,0,0,0,0,0|2,0,0]=4 161 B12R1.77 COC(=O)c1ccncc1C=O 1P01KKMP [2,0,0,0,0,0|1,0,0]=3 162 B12R1.77 COC(=O)c1ncccc1C=O 1P0014TI [2,0,0,0,0,0|1,0,0]=3 163 B12R1.121 CCCOc1ccccc1C=O 1P003IA7 [2,0,0,0,0,0|2,0,0]=4 164 B12R1.308 CCCC(=O)c1ccccc1Cl 1P01DWP9 [2,0,0,0,0,0|2,0,0]=4 165 B12R1.308 CCCC(=O)c1ccccc1O 1P002XD6 [2,0,0,0,0,0|1,0,0]=3 166 B12R1.308 CCNC(=O)c1ccccc1Br 1P005E2H [2,0,0,0,0,0|2,0,0]=4 167 B12R1.308 CCNC(=O)c1ccccc1N 1P00CHT6 [2,0,0,0,0,0|2,0,0]=4 168 B12R1.308 CCNC(=O)c1ccccc1O 1P00DDNV [2,0,0,0,0,0|1,0,0]=3 169 B12R1.308 CCOC(=N)c1ccccc1Cl 1P028G0J [2,0,0,0,0,0|2,0,0]=4 170 B12R1.308 CCOC(=O)c1ccc[nH]c1=O 1P002V97 [2,0,0,0,0,0|1,0,0]=3 171 B12R1.308 CCOC(=O)c1ccccc1Br 1P003QKA [2,0,0,0,0,0|1,0,0]=3 172 B12R1.308 CCOC(=O)c1ccccc1C 1P0035BA [2,0,0,0,0,0|0,0,1]=3 173 B12R1.308 CCOC(=O)c1ccccc1Cl 1P003QKF [2,0,0,0,0,0|1,0,0]=3 174 B12R1.308 CCOC(=O)c1ccccc1F 1P003HS7 [2,0,0,0,0,0|1,0,0]=3 175 B12R1.308 CCOC(=O)c1ccccc1I 1P0024OX [2,0,0,0,0,0|1,0,0]=3 176 B12R1.308 CCOC(=O)c1ccccc1O 1P0033TD [2,0,0,0,0,0|0,0,0]=2 177 B12R1.308 CCOC(=O)c1cccnc1Br 1P00DC70 [2,0,0,0,0,0|2,0,0]=4 178 B12R1.308 CCOC(=O)c1cccnc1Cl 1P0035B7 [2,0,0,0,0,0|2,0,0]=4 179 B12R1.308 CCOC(=O)c1cccnc1F 1P000AHN [2,0,0,0,0,0|2,0,0]=4 180 B12R1.308 CCOC(=O)c1cccnc1N 1P003QK3 [2,0,0,0,0,0|2,0,0]=4 181 B12R1.308 CCOC(=O)c1cccnc1S 1P019MY2 [2,0,0,0,0,0|1,1,0]=4 182 B12R1.308 CCOC(=O)c1ccn[nH]c1=O 1P001K42 [2,0,0,0,0,0|2,0,0]=4 183 B12R1.308 CCOC(=O)c1ccncc1Br 1P001BSJ [2,0,0,0,0,0|2,0,0]=4 184 B12R1.308 CCOC(=O)c1ccncc1Cl 1P00C4NJ [2,0,0,0,0,0|2,0,0]=4 185 B12R1.308 CCOC(=O)c1ccncc1N 1P001I6S [2,0,0,0,0,0|2,0,0]=4 186 B12R1.308 CCOC(=O)c1ccncc1O 1P00280S [2,0,0,0,0,0|1,0,0]=3 187 B12R1.308 CCOC(=O)c1cnc[nH]c1=O 1P003QRQ [2,0,0,0,0,0|2,0,0]=4 188 B12R1.308 CCOC(=O)c1cnccc1Cl 1P00205S [2,0,0,0,0,0|2,0,0]=4 189 B12R1.308 CCOC(=O)c1cnccc1N 1P00AQA3 [2,0,0,0,0,0|2,0,0]=4 190 B12R1.308 CCOC(=O)c1cncnc1O 1P00FH3N [2,0,0,0,0,0|2,0,0]=4 191 B12R1.308 CCOC(=O)c1ncccc1Br 1P00I8SC [2,0,0,0,0,0|2,0,0]=4 192 B12R1.308 CCOC(=O)c1ncccc1C 1P003QOV [2,0,0,0,0,0|1,0,1]=4 193 B12R1.308 CCOC(=O)c1ncccc1Cl 1P009DDO [2,0,0,0,0,0|2,0,0]=4 194 B12R1.308 CCOC(=O)c1ncccc1F 1P008UF6 [2,0,0,0,0,0|2,0,0]=4 195 B12R1.308 CCOC(=O)c1ncccc1N 1P002UFI [2,0,0,0,0,0|2,0,0]=4 196 B12R1.308 CCOC(=O)c1ncccc1O 1P00FEVV [2,0,0,0,0,0|1,0,0]=3 197 B12R1.308 Cc1ccncc1C(=O)OCC 1P00DIJF [2,0,0,0,0,0|1,0,1]=4 198 B12R1.308 Cc1ncccc1C(=O)OCC 1P003QLI [2,0,0,0,0,0|1,0,1]=4 199 B12R1.308 ClCCC(=O)c1ccccc1O 1P00I7LN [2,0,0,0,0,0|2,0,0]=4 200 B12R1.261 CC(=O)c1ccccc1B(O)O 1P0031TX [2,0,0,0,0,0|1,0,1]=4 201 B12R1.261 CC(=O)c1ccccc1C(=O)C 1P003DTZ [2,0,0,0,0,0|1,0,0]=3 202 B12R1.261 CC(=O)c1cccnc1C(=O)O 1P00FHGV [2,0,0,0,0,0|1,0,0]=3 203 B12R1.261 CS(=O)c1ccccc1C(=O)O 1P002FEB [2,0,0,0,0,0|1,0,0]=3 204 B12R1.261 ClC(=O)c1ccccc1C(=O)Cl 1P003U8G [2,0,0,0,0,0|2,0,0]=4 205 B12R1.261 NC(=O)c1ccccc1C(=O)N 1P004778 [2,0,0,0,0,0|2,0,0]=4 206 B12R1.261 NC(=O)c1cccnc1C(=O)O 1P003JMH [2,0,0,0,0,0|2,0,0]=4 207 B12R1.261 NC(=O)c1cnccc1C(=O)O 1P0292F6 [2,0,0,0,0,0|2,0,0]=4 208 B12R1.261 O=[I](=O)c1ccccc1C(=O)O 1P0033TY [2,0,0,0,0,0|1,0,1]=4 209 B12R1.261 OC(=O)c1ccccc1B(O)O 1P001LUH [2,0,0,0,0,0|1,0,1]=4 210 B12R1.261 OC(=O)c1ccccc1B(O)O 1P01QZT8 [2,0,0,0,0,0|1,0,1]=4 211 B12R1.261 OC(=O)c1ccccc1C(=N)N 1P028BE7 [2,0,0,0,0,0|2,0,0]=4 212 B12R1.261 OC(=O)c1ccccc1C(=O)C 1P003GS2 [2,0,0,0,0,0|0,0,0]=2 213 B12R1.261 OC(=O)c1ccccc1C(=O)N 1P0045SR [2,0,0,0,0,0|1,0,0]=3 214 B12R1.261 OC(=O)c1ccccc1C(=O)O 1P0035WZ [2,0,0,0,0,0|0,0,0]=2 215 B12R1.261 OC(=O)c1ccccc1C(=O)O 1P003OD3 [2,0,0,0,0,0|0,0,0]=2 216 B12R1.261 OC(=O)c1ccccc1C(=O)[O-] 1P0035Z7 [2,0,0,0,0,0|0,0,1]=3 217 B12R1.261 OC(=O)c1ccccc1C(=O)[O-] 1P003U86 [2,0,0,0,0,0|0,0,1]=3 218 B12R1.261 OC(=O)c1ccccc1C(C)C 1P00C4V3 [2,0,0,0,0,0|1,0,1]=4 219 B12R1.261 OC(=O)c1ccccc1C(N)C 1P00FGXP [2,0,0,0,0,0|1,0,1]=4 220 B12R1.261 OC(=O)c1ccccc1N(C)C 1P002KQK [2,0,0,0,0,0|2,0,0]=4 221 B12R1.261 OC(=O)c1ccccc1N(C)C 1P003FIA [2,0,0,0,0,0|2,0,0]=4 222 B12R1.261 OC(=O)c1ccccc1[C@@H](N)C 1P024FXU [2,0,0,0,0,0|1,0,1]=4 223 B12R1.261 OC(=O)c1cccnc1C(=O)C 1P00390Q [2,0,0,0,0,0|1,0,0]=3 224 B12R1.261 OC(=O)c1cccnc1C(=O)C 1P027UQ0 [2,0,0,0,0,0|1,0,0]=3 225 B12R1.261 OC(=O)c1cccnc1C(=O)N 1P00EA5D [2,0,0,0,0,0|2,0,0]=4 226 B12R1.261 OC(=O)c1cnccc1C(=O)O 1P0033ZK [2,0,0,0,0,0|1,0,0]=3 227 B12R1.261 OC(=O)c1cnncc1C(=O)O 1P003UIO [2,0,0,0,0,0|2,0,0]=4 228 B12R1.261 OC(=O)c1nccnc1C(=O)O 1P00360A [2,0,0,0,0,0|2,0,0]=4 229 B12R1.261 OC(=O)c1nnccc1C(=O)O 1P000ZC6 [2,0,0,0,0,0|2,0,0]=4 230 B12R1.261 [O-]C(=O)c1ccccc1C(=O)[O-] 1P001RRJ [2,0,0,0,0,0|0,0,2]=4 231 B12R1.261 [O-]C(=O)c1ccccc1C(=O)[O-] 1P003P51 [2,0,0,0,0,0|0,0,2]=4 232 B12R1.261 [O-]C(=O)c1ccccc1C(=O)[O-] 1P003U85 [2,0,0,0,0,0|0,0,2]=4 233 B12R1.261 [O-][N+](=O)c1ccccc1C(=O)C 1P003GQT [2,0,0,0,0,0|1,0,1]=4 234 B12R1.261 [O-][N+](=O)c1ccccc1C(=O)O 1P003I94 [2,0,0,0,0,0|1,0,1]=4 235 B12R1.283 CCCc1ccccc1C(=O)O 1P00BVW9 [2,0,0,0,0,0|0,0,1]=3 236 B12R1.283 CCCc1cccnc1C(=O)O 1P007YYC [2,0,0,0,0,0|1,0,1]=4 237 B12R1.283 CCOc1ccccc1B(O)O 1P00I4KC [2,0,0,0,0,0|1,0,1]=4 238 B12R1.283 CCOc1ccccc1C(=N)N 1P00I27V [2,0,0,0,0,0|2,0,0]=4 239 B12R1.283 CCOc1ccccc1C(=O)C 1P003HMV [2,0,0,0,0,0|1,0,0]=3 240 B12R1.283 CCOc1ccccc1C(=O)Cl 1P0033R6 [2,0,0,0,0,0|1,0,0]=3 241 B12R1.283 CCOc1ccccc1C(=O)N 1P003HMX [2,0,0,0,0,0|1,0,0]=3 242 B12R1.283 CCOc1ccccc1C(=O)O 1P0033R5 [2,0,0,0,0,0|0,0,0]=2 243 B12R1.283 CCOc1ccccc1C(=S)N 1P0064AT [2,0,0,0,0,0|1,1,0]=4 244 B12R1.283 CCOc1ccccc1C(O)C 1P01A8JH [2,0,0,0,0,0|1,0,1]=4 245 B12R1.283 CCOc1ccccc1S(=O)[O-] 1P028EJ7 [2,0,0,0,0,0|1,0,1]=4 246 B12R1.283 CCOc1ccccc1[C@@H](O)C 1P01AAQI [2,0,0,0,0,0|1,0,1]=4 247 B12R1.283 CCOc1ccccc1[C@H](O)C 1P01AB64 [2,0,0,0,0,0|1,0,1]=4 248 B12R1.283 CCOc1ccccc1[N+](=O)[O-] 1P003I9G [2,0,0,0,0,0|1,0,1]=4 249 B12R1.283 CCOc1cccnc1C(=O)O 1P00HANZ [2,0,0,0,0,0|1,0,0]=3 250 B12R1.283 CCOc1cnccc1C(=O)O 1P008O4U [2,0,0,0,0,0|1,0,0]=3 251 B12R1.283 CCOc1ncccc1C(=O)N 1P000PVR [2,0,0,0,0,0|2,0,0]=4 252 B12R1.283 CCOc1ncccc1C(=O)O 1P003HN7 [2,0,0,0,0,0|1,0,0]=3 253 B12R1.283 CCSc1ccccc1C(=O)O 1P002LKN [2,0,0,0,0,0|0,1,0]=3 254 B12R1.283 CCSc1cccnc1C(=O)O 1P01C2I4 [2,0,0,0,0,0|1,1,0]=4 255 B12R1.283 CCSc1cnccc1C(=O)O 1P00IX43 [2,0,0,0,0,0|1,1,0]=4 256 B12R1.283 CNCc1ccccc1C(=O)O 1P00E8J0 [2,0,0,0,0,0|1,0,1]=4 257 B12R1.283 COCc1ccccc1C(=O)O 1P004E58 [2,0,0,0,0,0|0,0,1]=3 258 B12R1.283 COCc1cccnc1C(=O)O 1P028DRV [2,0,0,0,0,0|1,0,1]=4 259 B12R1.283 NCCc1ccccc1C(=O)O 1P0086PW [2,0,0,0,0,0|1,0,1]=4 260 B14R1.263 BrCCc1ccccc1C(=O)OCC 1P00220U [1,1,0,0,0,0|1,0,1]=4 261 B14R1.263 CCOC(=O)c1ccccc1CC#N 1P002BTQ [1,1,0,0,0,0|1,0,1]=4 262 B14R1.263 CCOC(=O)c1ccccc1N=C=O 1P003FIQ [1,1,0,0,0,0|0,0,1]=3 263 B14R1.263 CCOC(=O)c1ccccc1N=C=S 1P003FIR [1,1,0,0,0,0|0,1,1]=4 264 B14R1.263 CCOC(=O)c1ccccc1N=[N+]=[N-] 1P028RCP [1,1,0,0,0,0|2,0,0]=4 265 B14R1.263 CCOC(=O)c1ccccc1NCC 1P0037RY [1,1,0,0,0,0|1,0,1]=4 266 B14R1.263 CCOC(=O)c1ccccc1OCC 1P003QKM [1,1,0,0,0,0|1,0,1]=4 267 B14R1.599 CCOC(=O)c1cc(Br)ccc1C#N 1P00MHPE [1,1,0,0,0,0|1,0,1]=4 268 B14R1.599 CCOC(=O)c1cc(Br)ccc1CBr 1P00IJ6M [1,1,0,0,0,0|1,0,1]=4 269 B14R1.599 CCOC(=O)c1cc(F)ccc1C#N 1P000RKI [1,1,0,0,0,0|1,0,1]=4 270 B14R1.840 CNc1ccccc1C(=O)OC(C)C 1P003W1I [1,1,0,0,0,0|2,0,0]=4 271 B14R1.7233 CCOC(=O)c1ccc(cc1OC)N 1P001FYJ [1,1,0,0,0,0|2,0,0]=4 272 B14R1.7255 CCOC(=O)c1cccc(c1CBr)Br 1P00HYX4 [1,1,0,0,0,0|1,0,1]=4 273 B14R1.7276 CCOC(=O)c1c(Br)cccc1CBr 1P00HJN0 [1,1,0,0,0,0|1,0,1]=4 274 B14R1.7276 CCOC(=O)c1c(C)cccc1OC 1P003QL7 [1,1,0,0,0,0|2,0,0]=4 275 B14R1.7276 CCOC(=O)c1c(F)cccc1OC 1P00G4ID [1,1,0,0,0,0|2,0,0]=4 276 B14R1.317 CCC(c1ccccc1C(=O)O)(C)C 1P01C9FK [1,1,0,0,0,0|1,0,1]=4 277 B14R1.317 CCS(=O)(=O)c1ccccc1C(=O)O 1P00AQ7H [1,1,0,0,0,0|1,0,0]=3 278 B14R1.317 CCS(=O)(=O)c1cccnc1C(=O)O 1P027IZT [1,1,0,0,0,0|2,0,0]=4 279 B14R1.317 CNS(=O)(=O)c1ccccc1C(=O)O 1P000O13 [1,1,0,0,0,0|2,0,0]=4 280 B14R1.429 CC(C(=O)c1ccccc1[N+](=O)[O-])C 1P019ZNK [1,1,0,0,0,0|1,0,1]=4 281 B14R1.429 CC(N(c1ccccc1C(=O)O)C)C 1P01AI1Z [1,1,0,0,0,0|2,0,0]=4 282 B14R1.429 CN(C(=O)c1ccccc1C(=O)O)C 1P00BH7U [1,1,0,0,0,0|1,0,0]=3 283 B14R1.429 OC(=O)C(=O)c1ccccc1C(=O)O 1P00DD8H [1,1,0,0,0,0|1,0,1]=4 284 B14R1.707 COC(=O)c1cc(C)ccc1B(O)O 1P000OL3 [1,1,0,0,0,0|1,0,1]=4 285 B14R1.707 COC(=O)c1cc(C)ccc1[N+](=O)[O-] 1P002AV0 [1,1,0,0,0,0|1,0,1]=4 286 B14R1.707 COC(=O)c1cc(Cl)ccc1B(O)O 1P001SQ1 [1,1,0,0,0,0|1,0,1]=4 287 B14R1.707 COC(=O)c1cc(Cl)ccc1C(=O)C 1P01B1T0 [1,1,0,0,0,0|1,0,0]=3 288 B14R1.707 COC(=O)c1cc(Cl)ncc1C(=O)C 1P024VHP [1,1,0,0,0,0|2,0,0]=4 289 B14R1.707 COC(=O)c1cc(F)ccc1B(O)O 1P008FS5 [1,1,0,0,0,0|1,0,1]=4 290 B14R1.707 COC(=O)c1cc(F)ccc1C(=O)N 1P009Z9L [1,1,0,0,0,0|1,0,0]=3 291 B14R1.707 COC(=O)c1cc(O)ccc1C(=O)O 1P0281C7 [1,1,0,0,0,0|0,0,0]=2 292 B14R1.707 COC(=O)c1nc(Br)ccc1C(=O)O 1P0280DF [1,1,0,0,0,0|1,0,0]=3 293 B14R1.707 [O-]C(=O)c1ccc(cc1C(=O)OC)N 1P0000ZN [1,1,0,0,0,0|0,0,1]=3 294 B14R1.707 [O-][N+](=O)c1ccc(cc1C(=O)OC)Br 1P00465L [1,1,0,0,0,0|1,0,1]=4 295 B14R1.707 [O-][N+](=O)c1ccc(cc1C(=O)OC)Cl 1P0035ON [1,1,0,0,0,0|1,0,1]=4 296 B14R1.707 [O-][N+](=O)c1ccc(cc1C(=O)OC)F 1P003SEG [1,1,0,0,0,0|1,0,1]=4 297 B14R1.707 [O-][N+](=O)c1ccc(cc1C(=O)OC)N 1P003SDP [1,1,0,0,0,0|1,0,1]=4 298 B14R1.707 [O-][N+](=O)c1ccc(cc1C(=O)OC)O 1P00EL6T [1,1,0,0,0,0|1,0,1]=4 299 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)C 1P002CPH [1,1,0,0,0,0|1,0,1]=4 300 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)Cl 1P00BC8I [1,1,0,0,0,0|1,0,1]=4 301 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)F 1P01ANA9 [1,1,0,0,0,0|1,0,1]=4 302 B14R1.745 COC(=O)c1ccccc1S(=O)(=O)N 1P0037NI [1,1,0,0,0,0|1,0,1]=4 303 B14R1.746 CNC(=O)c1ccccc1C(=O)NC 1P00ANT8 [1,1,0,0,0,0|2,0,0]=4 304 B14R1.746 COC(=O)C1=C(CC=CC1)C(=O)OC 1P007ZLF [1,1,0,0,0,0|0,0,2]=4 305 B14R1.746 COC(=O)c1ccccc1C(=O)OC 1P000VR8 [1,1,0,0,0,0|0,0,0]=2 306 B14R1.746 COC(=O)c1cnccc1C(=O)OC 1P0027LA [1,1,0,0,0,0|1,0,0]=3 307 B14R1.746 COC(=O)c1ncccc1C(=O)OC 1P00357Z [1,1,0,0,0,0|1,0,0]=3 308 B14R1.746 COC(=O)c1nccnc1C(=O)OC 1P00F3QV [1,1,0,0,0,0|2,0,0]=4 309 B14R1.1126 COC(=O)c1ccc(cc1B(O)O)Cl 1P00H8KE [1,1,0,0,0,0|1,0,1]=4 310 B14R1.1126 COC(=O)c1ccc(cc1B(O)O)F 1P004PSV [1,1,0,0,0,0|1,0,1]=4 311 B14R1.1126 COC(=O)c1ccc(cc1C(=O)O)Br 1P028RV4 [1,1,0,0,0,0|0,0,0]=2 312 B14R1.1126 COC(=O)c1ccc(cc1C(=O)O)Cl 1P027XMO [1,1,0,0,0,0|0,0,0]=2 313 B14R1.1126 COC(=O)c1ccc(cc1C(=O)O)F 1P01KKI1 [1,1,0,0,0,0|0,0,0]=2 314 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])Br 1P001QRL [1,1,0,0,0,0|1,0,1]=4 315 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])Cl 1P00BZSY [1,1,0,0,0,0|1,0,1]=4 316 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])F 1P003SBV [1,1,0,0,0,0|1,0,1]=4 317 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])I 1P01FPEF [1,1,0,0,0,0|1,0,1]=4 318 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])N 1P00G7HA [1,1,0,0,0,0|1,0,1]=4 319 B14R1.1126 COC(=O)c1ccc(cc1[N+](=O)[O-])O 1P0026QU [1,1,0,0,0,0|1,0,1]=4 320 B14R1.1153 CCS(=O)c1cccc(c1C(=O)O)Cl 1P01B1PL [1,1,0,0,0,0|1,0,0]=3 321 B14R1.1153 COC(=O)c1cccc(c1C(=O)C)O 1P028JX0 [1,1,0,0,0,0|1,0,0]=3 322 B14R1.1153 COC(=O)c1cccc(c1C(=O)O)Br 1P00IH0M [1,1,0,0,0,0|0,0,0]=2 323 B14R1.1153 COC(=O)c1cccc(c1C(=O)O)N 1P003GYJ [1,1,0,0,0,0|0,0,0]=2 324 B14R1.1153 COC(=O)c1cccc(c1[N+](=O)[O-])C 1P003S9L [1,1,0,0,0,0|1,0,1]=4 325 B14R1.1153 [O-][N+](=O)c1c(cccc1Br)C(=O)OC 1P00HAUI [1,1,0,0,0,0|1,0,1]=4 326 B14R1.1153 [O-][N+](=O)c1c(cccc1Cl)C(=O)OC 1P00C1G6 [1,1,0,0,0,0|1,0,1]=4 327 B14R1.1153 [O-][N+](=O)c1c(cccc1F)C(=O)OC 1P0015CO [1,1,0,0,0,0|1,0,1]=4 328 B14R1.1153 [O-][N+](=O)c1c(cccc1N)C(=O)OC 1P00A44Y [1,1,0,0,0,0|1,0,1]=4 329 B14R1.1153 [O-][N+](=O)c1c(cccc1O)C(=O)OC 1P0035NM [1,1,0,0,0,0|1,0,1]=4 330 B14R1.1164 COC(=O)c1c(Br)cccc1[N+](=O)[O-] 1P009J9I [1,1,0,0,0,0|1,0,1]=4 331 B14R1.1164 COC(=O)c1c(C)cccc1[N+](=O)[O-] 1P00EFNT [1,1,0,0,0,0|1,0,1]=4 332 B14R1.1164 COC(=O)c1c(Cl)cccc1[N+](=O)[O-] 1P00GB04 [1,1,0,0,0,0|1,0,1]=4 333 B14R1.1164 COC(=O)c1c(F)cccc1N(=O)=O 1P00BK4I [1,1,0,0,0,0|1,0,1]=4 334 B14R1.1164 COC(=O)c1c(N)cccc1[N+](=O)[O-] 1P003S3O [1,1,0,0,0,0|1,0,1]=4 335 B14R1.1164 COC(=O)c1c(O)cccc1[N+](=O)[O-] 1P000SA3 [1,1,0,0,0,0|1,0,1]=4 336 B14R1.67 CCCNc1ccc(cc1C(=O)O)C 1P003XSB [1,1,0,0,0,0|2,0,0]=4 337 B14R1.67 CCCOc1ccc(cc1C(=O)O)C 1P01EZSO [1,1,0,0,0,0|2,0,0]=4 338 B14R1.67 CCCOc1ccc(cc1C(=O)O)Cl 1P00JCTA [1,1,0,0,0,0|2,0,0]=4 339 B14R1.760 CCCOc1cc(C)ccc1C(=O)O 1P027U76 [1,1,0,0,0,0|2,0,0]=4 340 B14R1.789 CCSCc1ccccc1C(=O)OC 1P01BFZY [1,1,0,0,0,0|0,1,1]=4 341 B14R1.903 CCCCNc1ccccc1C(=O)O 1P00260W [1,1,0,0,0,0|1,0,1]=4 342 B14R1.903 CCCCOc1ccccc1C(=O)O 1P0071RV [1,1,0,0,0,0|1,0,1]=4 343 B14R1.903 COCCOc1ccccc1C(=O)O 1P00IKMC [1,1,0,0,0,0|2,0,0]=4 344 B14R1.3302 CCC(=O)Nc1ccccc1C(=O)O 1P002FVA [1,1,0,0,0,0|2,0,0]=4 345 B14R1.3302 CCC(Oc1ccccc1C(=O)O)C 1P01AL6W [1,1,0,0,0,0|2,0,0]=4 346 B14R1.4522 CC(CNc1ccccc1C(=O)O)C 1P00ADBZ [1,1,0,0,0,0|2,0,0]=4 347 B14R1.4522 CC(COc1ccccc1C(=O)O)C 1P01AHE3 [1,1,0,0,0,0|2,0,0]=4 348 B14R1.4522 CC(COc1ccccc1C(=O)O)N 1P0288U4 [1,1,0,0,0,0|2,0,0]=4 349 B14R1.615 CCOC(=O)c1cn(nc1C(=O)O)C 1P00JFXW [0,1,0,0,1,0|2,0,0]=4 350 B14R1.7224 CCOC(=O)c1[nH]cc(c1C(=O)O)C 1P027YKU [0,1,0,0,1,0|1,0,0]=3 351 B14R1.7224 CCOC(=O)c1cnn(c1C(=O)O)C 1P008N5T [0,1,0,0,1,0|2,0,0]=4 352 B14R1.7271 CCOC(=O)c1c(C)c[nH]c1C(=O)O 1P01I92U [0,1,0,0,1,0|1,0,0]=3 353 B16R1.960 CCOC(=O)c1ccccc1NC(=O)CCl 1P00EEMS [0,1,0,0,0,1|1,0,0]=3 354 B16R1.1555 CCOC(=O)Cc1ccccc1S(=O)(=O)Cl 1P01AUY4 [0,1,0,0,0,1|1,0,1]=4 355 B16R1.1556 CNCC(=O)Nc1ccccc1C(=O)OC 1P01A57Z [0,1,0,0,0,1|2,0,0]=4 356 B16R1.2220 CCNC(=O)Nc1cccc(c1C(=O)O)F 1P01A8M5 [0,1,0,0,0,1|1,0,0]=3 357 B16R1.4493 CCCCC(=O)Nc1ccccc1C(=O)C 1P009AED [0,1,0,0,0,1|2,0,0]=4 358 B16R1.4493 CCCCC(=O)Oc1ccccc1C(=O)O 1P00EA2I [0,1,0,0,0,1|1,0,0]=3 359 B16R1.4493 ClCCCC(=O)Nc1ccccc1C(=O)C 1P019P3U [0,1,0,0,0,1|2,0,0]=4 360 B16R1.6958 CCC(C(=O)Nc1ccccc1C(=O)O)C 1P005JJA [0,1,0,0,0,1|1,0,0]=3 361 B16R1.12463 CC(=O)CC(=O)Nc1ccccc1C(=O)O 1P003SUL [0,1,0,0,0,1|1,0,1]=4 362 B16R1.12463 CC(CC(=O)Nc1ccccc1C(=O)O)C 1P00HZMG [0,1,0,0,0,1|1,0,0]=3 363 B16R1.12463 CC(NC(=O)Nc1ccccc1C(=O)O)C 1P019PLC [0,1,0,0,0,1|1,0,0]=3 364 B16R1.13671 CCOC(=O)Cc1ccc(cc1[N+](=O)[O-])Br 1P002CIV [0,1,0,0,0,1|1,0,1]=4 365 B16R1.13671 CCOC(=O)Cc1ccc(cc1[N+](=O)[O-])Cl 1P003QIA [0,1,0,0,0,1|1,0,1]=4 366 B16R1.13671 CCOC(=O)Cc1ccc(cc1[N+](=O)[O-])F 1P00HG9U [0,1,0,0,0,1|1,0,1]=4 367 B16R1.13671 CCOC(=O)Nc1ccc(cc1[N+](=O)[O-])N 1P00FAB6 [0,1,0,0,0,1|1,0,1]=4 368 B16R1.64476 CCCS(=O)(=O)Nc1ccccc1C(=O)O 1P019WPU [0,1,0,0,0,1|2,0,0]=4 369 B16R1.886 CCOC(=O)c1cc(Br)ccc1S(=O)(=O)Cl 1P019ZOT [0,2,0,0,0,0|1,0,1]=4 370 B16R1.886 CCOC(=O)c1cc(F)ccc1S(=O)(=O)Cl 1P01A6JY [0,2,0,0,0,0|1,0,1]=4 371 B16R1.70467 CCOC(=O)c1cc(Br)cc(c1[N+](=O)[O-])F 1P0284EF [0,2,0,0,0,0|1,0,1]=4 372 B16R1.70638 CCOC(=O)c1cc(N)c(cc1N(=O)=O)Cl 1P01XGK5 [0,2,0,0,0,0|1,0,1]=4 373 B16R1.70638 [O-][N+](=O)c1cc(F)c(cc1C(=O)OCC)F 1P0015FZ [0,2,0,0,0,0|1,0,1]=4 374 B16R1.1500 OCCOC(=O)c1ccccc1C(=O)OC 1P027WGX [0,2,0,0,0,0|0,0,0]=2 375 B16R1.14964 CCOC(=O)c1ccccc1C(=O)OCC 1P004QH9 [0,2,0,0,0,0|0,0,0]=2 376 B16R1.14964 CCOC(=O)c1cnccc1C(=O)OCC 1P001Y36 [0,2,0,0,0,0|1,0,0]=3 377 B16R1.14964 CCOC(=O)c1ncccc1C(=O)OCC 1P002A8M [0,2,0,0,0,0|1,0,0]=3 378 B16R1.14964 CCOC(=O)c1ncncc1C(=O)OCC 1P00CN1E [0,2,0,0,0,0|2,0,0]=4 379 B16R1.14964 CCOC(=O)c1nnccc1C(=O)OCC 1P001VV8 [0,2,0,0,0,0|2,0,0]=4 380 B16R1.874 CCC(OC(=O)c1ccccc1C(=O)O)C 1P00DFTB [0,2,0,0,0,0|0,0,0]=2 381 B16R1.1730 CCCCOC(=O)c1ccccc1C(=O)[O-] 1P000VRX [0,2,0,0,0,0|0,0,1]=3 382 B16R1.1730 COCCOC(=O)c1ccccc1C(=O)[O-] 1P001VOX [0,2,0,0,0,0|0,0,1]=3 383 B16R1.3048 CCN(S(=O)(=O)c1ccccc1C(=O)O)C 1P01BDPB [0,2,0,0,0,0|2,0,0]=4 384 B16R1.12449 CC(NS(=O)(=O)c1ccccc1C(=O)O)C 1P019KJ6 [0,2,0,0,0,0|2,0,0]=4 385 B16R1.12475 O=C(c1ccccc1C(=O)O)NC(C)(C)C 1P00297G [0,2,0,0,0,0|1,0,0]=3 386 B16R1.12475 O=C(c1ccccc1C(=O)O)OC(C)(C)C 1P003V1E [0,2,0,0,0,0|0,0,0]=2 387 B16R1.12475 O=C(c1ccccc1[N+](=O)[O-])OC(C)(C)C 1P00D8J4 [0,2,0,0,0,0|1,0,1]=4 388 B16R1.12475 O=C(c1cccnc1C(=O)O)OC(C)(C)C 1P01C2UU [0,2,0,0,0,0|1,0,0]=3 389 B16R1.12475 O=C(c1nccnc1C(=O)O)OC(C)(C)C 1P01C2UV [0,2,0,0,0,0|2,0,0]=4 390 B16R1.70365 [O-][N+](=O)c1c(ccc(c1N)Cl)C(=O)OCC 1P00IMFI [0,2,0,0,0,0|1,0,1]=4 391 B14R1.32 CCOC(=O)\C=C\c1cccc(c1)Br 1P00I55S [0,0,1,1,0,0|2,0,0]=4 392 B14R1.32 CCOC(=O)\C=C\c1cccc(c1)C 1P01IS5A [0,0,1,1,0,0|2,0,0]=4 393 B14R1.32 CCOC(=O)\C=C\c1cccc(c1)N 1P000PD3 [0,0,1,1,0,0|2,0,0]=4 394 B14R1.32 CCOC(=O)\C=C\c1cccc(c1)O 1P00IK99 [0,0,1,1,0,0|1,0,0]=3 395 B14R1.468 CCOc1cccc(c1)\C=C\C(=O)O 1P003VDY [0,0,1,1,0,0|1,0,0]=3 396 B14R1.605 CCOC(=O)c1cc(C)nc(c1)C=C 1P01DIWM [0,0,1,1,0,0|2,0,0]=4 397 B14R2.98 O=Cc1ccccc1C2OCCO2 1P028CPU [1,0,0,1,0,0|0,0,2]=4 398 B14R2.215 BrCN1C(=O)c2c(C1=O)cccc2 1P003SUQ [1,0,0,1,0,0|2,0,0]=4 399 B14R2.215 CCN1C(=O)c2c(C1=O)cccc2 1P003THD [1,0,0,1,0,0|1,0,0]=3 400 B14R2.215 CNN1C(=O)c2c(C1=O)cccc2 1P01E5NM [1,0,0,1,0,0|2,0,0]=4 401 B14R2.215 CON1C(=O)c2c(C1=O)cccc2 1P002FOL [1,0,0,1,0,0|2,0,0]=4 402 B14R2.215 ClCN1C(=O)c2c(C1=O)cccc2 1P0021K9 [1,0,0,1,0,0|2,0,0]=4 403 B14R2.215 OCN1C(=O)c2c(C1=O)cccc2 1P003SV7 [1,0,0,1,0,0|2,0,0]=4 404 B14R2.510 CCC=C1OC(=O)c2c1cccc2 1P001ZKX [1,0,0,1,0,0|1,0,1]=4 405 B14R2.3348 O=Cc1ccccc1C(=O)C2CC2 1P028QMK [1,0,0,1,0,0|1,0,0]=3 406 B14R2.4510 O=C1CCCC(=O)c2c1nccc2 1P00CI9K [1,0,0,1,0,0|2,0,0]=4 407 B14R2.7150 CCOc1cccc2c1cccc2 1P003BIA [1,0,0,1,0,0|2,0,0]=4 408 B14R2.7150 CCOc1cncc2c1cccc2 1P0282AX [1,0,0,1,0,0|2,0,0]=4 409 B14R2.7724 O=C1C=C(C)C(=O)c2c1cccc2 1P003RXI [1,0,0,1,0,0|1,0,1]=4 410 B14R2.7724 O=c1[nH]n(C)c(=O)c2c1cccc2 1P01BVBW [1,0,0,1,0,0|2,0,0]=4 411 B14R2.9718 CCOP1(=O)OCc2c1cccc2 1P028VBB [1,0,0,1,0,0|1,0,1]=4 412 B14R2.782 OC(=O)c1ccccc1C2(C)CC2 1P01DWFV [1,0,0,1,0,0|1,0,1]=4 413 B14R2.1131 COc1ccc(c2c1cccc2)O 1P003M2R [1,0,0,1,0,0|2,0,0]=4 414 B14R2.9532 OC(=O)c1ccccc1C2CCC2 1P01A2BJ [1,0,0,1,0,0|1,0,1]=4 415 B14R2.17370 COC1(C)OC(=O)c2c1cccc2 1P00HBHT [1,0,0,1,0,0|1,0,1]=4 416 B14R2.24350 OC(=O)c1cccc2c1B(O)OC2 1P01UNKF [1,0,0,1,0,0|1,0,1]=4 417 B14R2.24350 OC(=O)c1cccc2c1C(=O)CC2 1P005PU6 [1,0,0,1,0,0|0,0,0]=2 418 B14R2.24350 OC(=O)c1cccc2c1C(=O)N=C2 1P00H3J3 [1,0,0,1,0,0|1,0,1]=4 419 B14R2.24350 OC(=O)c1cccc2c1c(=O)[nH][nH]2 1P0038X6 [1,0,0,1,0,0|2,0,0]=4 420 B14R2.24350 OC(=O)c1cccc2c1c(=O)o[nH]2 1P00328O [1,0,0,1,0,0|1,0,0]=3 421 B14R2.24350 [O-][N+](=O)c1cccc2c1C(=O)OC2 1P019FAW [1,0,0,1,0,0|1,0,1]=4 422 B14R2.29285 O=C1CCS(=O)(=O)c2c1cccc2 1P00B0WV [1,0,0,1,0,0|1,0,1]=4 423 B14R2.57380 O=C1c2ccccc2S(=O)(=O)C1C 1P01FM1D [1,0,0,1,0,0|1,0,1]=4 424 B14R2.4 CC1COc2c1cccc2C(=O)O 1P01BBP0 [1,0,0,1,0,0|2,0,0]=4 425 B14R2.4 OC(=O)c1cccc2c1ccn2C 1P00GSFV [1,0,0,1,0,0|2,0,0]=4 426 B14R2.4 OC(=O)c1cccc2c1cnn2C 1P008UGC [1,0,0,1,0,0|2,0,0]=4 427 B14R2.1019 CCc1nc2ccccc2c(=O)o1 1P002XZP [1,0,0,1,0,0|2,0,0]=4 428 B14R2.9513 OC(=O)c1ccccc1OC2CC2 1P01BBKE [1,0,0,1,0,0|2,0,0]=4 429 B14R2.31359 OC(=O)c1cccc2c1CCCC2 1P003MPZ [1,0,0,1,0,0|1,0,1]=4 430 B14R2.31359 OC(=O)c1cccc2c1CNCC2 1P00II1Y [1,0,0,1,0,0|1,0,1]=4 431 B14R2.31359 OC(=O)c1cccc2c1CNCC2 1P01BVYM [1,0,0,1,0,0|1,0,1]=4 432 B14R2.31359 OC(=O)c1cccc2c1COCC2 1P01B5FM [1,0,0,1,0,0|0,0,1]=3 433 B14R2.31359 OC(=O)c1cccc2c1NCCC2 1P00C8OW [1,0,0,1,0,0|2,0,0]=4 434 B14R2.31359 OC(=O)c1cccc2c1OCCC2 1P00C8PL [1,0,0,1,0,0|2,0,0]=4 435 B14R2.31359 OC(=O)c1cccc2c1SCCC2 1P028O3U [1,0,0,1,0,0|2,0,0]=4 436 B14R2.8053 O=C1CCCc2c1c(co2)C(=O)O 1P00EAB0 [0,0,0,1,1,0|2,0,0]=4 437 B14R2.8053 O=C1NCCc2c1c(co2)C(=O)O 1P01DW2R [0,0,0,1,1,0|2,0,0]=4 438 B16R2.3155 O=C1CCCCC(=O)c2c(N1)cccc2 1P01CBEM [0,0,0,1,0,1|2,0,0]=4 439 B16R2.23332 CC1CC(=O)c2c(N1C(=O)C)cccc2 1P000YQ9 [0,0,0,1,0,1|2,0,0]=4 440 B16R2.29743 CCOC(=O)c1cccc2c1nc([nH]2)N 1P01EJV7 [0,0,0,1,0,1|2,0,0]=4 441 B16R2.29743 CCOC(=O)c1cccc2c1oc(n2)C 1P00AAL0 [0,0,0,1,0,1|2,0,0]=4 442 B16R2.29743 CCOC(=O)c1cccc2c1sc(n2)Br 1P00ELA4 [0,0,0,1,0,1|2,0,0]=4 443 B16R2.29743 CCOC(=O)c1cccc2c1sc(n2)N 1P00FHJW [0,0,0,1,0,1|2,0,0]=4 444 B16R2.126882 CC(=O)Nc1cccc2c1C(=O)CCC2 1P007W7Z [0,0,0,1,0,1|2,0,0]=4 445 B16R2.3033 O=C1CCCN1c2ccccc2C(=O)O 1P00CJRI [0,0,0,1,0,1|1,0,0]=3 446 B16R2.3033 O=C1OCCN1c2ccccc2C(=O)C 1P01BFZ9 [0,0,0,1,0,1|1,0,0]=3 447 B16R2.3033 O=C1OCCN1c2ccccc2[N+](=O)[O-] 1P00JHO4 [0,0,0,1,0,1|1,0,1]=4 448 B16R2.27521 O=C(C1CC1)Cc2ccccc2C(=O)O 1P0293BR [0,0,0,1,0,1|1,0,0]=3 449 B16R2.27521 O=C(C1CC1)Nc2ccccc2C(=O)O 1P00CSWT [0,0,0,1,0,1|1,0,0]=3 450 B16R2.35367 CCC1NC(=O)c2c(NC1=O)cccc2 1P028MXV [0,0,0,1,0,1|2,0,0]=4 451 B16R2.154585 CCOC(=O)n1[nH]c(=O)c2c1cccc2 1P001W2U [0,0,0,1,0,1|1,0,0]=3 452 B16R2.2838 Cc1nnc(o1)c2ccccc2C(=O)O 1P00H4X9 [0,1,0,1,0,0|1,0,1]=4 453 B16R2.2838 Cc1noc(n1)c2ccccc2C(=O)O 1P00DD8L [0,1,0,1,0,0|1,0,1]=4 454 B16R2.29744 CCOC(=O)c1ccnc2c1c(C)no2 1P028IJS [0,1,0,1,0,0|2,0,0]=4 455 B16R2.21692 NCCn1[nH]c(=O)c2c(c1=O)cccc2 1P004HWM [0,1,0,1,0,0|2,0,0]=4 456 B16R2.404169 OC(=O)c1cccc2c1S(=O)(=O)CCC2 1P0288AE [0,1,0,1,0,0|2,0,0]=4 457 B16R2.356350 OC(=O)c1cccc2c1C(=O)OC2(C)C 1P01BD4Y [0,1,0,1,0,0|0,0,0]=2 458 B16R2.356350 OC(=O)c1cccc2c1C(=O)O[I]2(=O)O 1P00C07I [0,1,0,1,0,0|2,0,0]=4 459 B16R2.126927 Cc1nc2CCCC(=O)c2c(c1)C(=O)O 1P01FJPH [0,1,0,1,0,0|2,0,0]=4 460 B16R3.214825 OC(=O)c1cccc2c1C3CCC2O3 1P02889B [0,0,0,2,0,0|1,0,1]=4 461 B12R1.316 CCOC(=O)c1[nH]ccc1C=O 1P00CL45 [1,0,0,0,1,0|1,0,0]=3 462 B12R1.316 CCOC(=O)c1[nH]ccc1CO 1P00G9ZC [1,0,0,0,1,0|1,0,1]=4 463 B12R1.316 CCOC(=O)c1c(C=O)nc[nH]1 1P0013C9 [1,0,0,0,1,0|2,0,0]=4 464 B12R1.316 CCOC(=O)c1cc[nH]c1C=O 1P01AKVL [1,0,0,0,1,0|1,0,0]=3 465 B12R1.316 CCOC(=O)c1ccsc1C=O 1P00FHNP [1,0,0,0,1,0|1,0,0]=3 466 B12R1.316 CCOC(=O)c1cn[nH]c1C=O 1P00FA8S [1,0,0,0,1,0|2,0,0]=4 467 B12R1.316 CCOC(=O)c1cscc1C=O 1P00FHNQ [1,0,0,0,1,0|1,0,0]=3 468 B12R1.316 CCOC(=O)c1n[nH]cc1C=O 1P0027OD [1,0,0,0,1,0|2,0,0]=4 469 B12R1.316 CCOC(=O)c1scnc1C=O 1P01BH3T [1,0,0,0,1,0|2,0,0]=4 470 B12R1.368 COC(=O)c1[nH]ccc1C(=O)O 1P028EPY [1,0,0,0,1,0|1,0,0]=3 471 B12R1.368 COC(=O)c1ccoc1C(=O)O 1P01B90V [1,0,0,0,1,0|1,0,0]=3 472 B12R1.368 COC(=O)c1cn[nH]c1C(=O)O 1P020175 [1,0,0,0,1,0|2,0,0]=4 473 B12R1.368 COC(=O)c1sccc1C(=O)[O-] 1P000HBD [1,0,0,0,1,0|1,0,1]=4 474 B12R1.368 [O-]C(=O)c1cocc1C(=O)OC 1P01GD9L [1,0,0,0,1,0|1,0,1]=4 475 B14R1.965 CCOC(=O)Cc1ccccc1C#N 1P005QDJ [1,0,0,0,0,1|1,0,1]=4 476 B14R1.965 CCOC(=O)Cc1ccccc1OC 1P00ETVN [1,0,0,0,0,1|2,0,0]=4 477 B14R1.965 CCOC(=O)Nc1ccccc1C#N 1P0072B6 [1,0,0,0,0,1|1,0,1]=4 478 B14R1.744 COC(=O)c1ccccc1C=C(F)F 1P02878N [1,0,0,0,0,1|2,0,0]=4 479 B14R1.744 COC(=O)c1ccccc1CC(=O)O 1P001FBB [1,0,0,0,0,1|0,0,0]=2 480 B14R1.744 COC(=O)c1ccccc1NC(=O)C 1P003S2V [1,0,0,0,0,1|1,0,0]=3 481 B14R1.744 COC(=O)c1ccccc1OC(=O)C 1P003O4O [1,0,0,0,0,1|1,0,0]=3 482 B14R1.617 CCNC(=O)c1cccc(c1)C(=O)O 1P018SME [0,0,0,0,1,1|1,0,0]=3 483 B14R1.617 CCNC(=O)c1cccc(n1)C(=O)O 1P01O1EP [0,0,0,0,1,1|1,0,0]=3 484 B14R1.617 CCOC(=O)c1cccc(c1)B(O)O 1P003JUI [0,0,0,0,1,1|1,0,1]=4 485 B14R1.617 CCOC(=O)c1cccc(c1)C(=O)C 1P003QNL [0,0,0,0,1,1|1,0,0]=3 486 B14R1.617 CCOC(=O)c1cccc(c1)C(=O)[O-] 1P0023OF [0,0,0,0,1,1|0,0,1]=3 487 B14R1.617 CCOC(=O)c1cccc(c1)[N+](=O)[O-] 1P003QOY [0,0,0,0,1,1|1,0,1]=4 488 B14R1.617 CCOC(=O)c1cccc(n1)C(=O)C 1P000F6T [0,0,0,0,1,1|1,0,0]=3 489 B14R1.617 CCOC(=O)c1cccc(n1)C(=O)O 1P00C4MA [0,0,0,0,1,1|0,0,0]=2 490 B14R1.617 CCOC(=O)c1ccnc(c1)C(=O)C 1P002QON [0,0,0,0,1,1|2,0,0]=4 491 B14R1.617 CCOC(=O)c1ccnc(c1)C(=O)O 1P007PAF [0,0,0,0,1,1|1,0,0]=3 492 B14R1.617 CCOC(=O)c1cncc(c1)C(=O)O 1P004UNN [0,0,0,0,1,1|1,0,0]=3 493 B14R1.617 [O-]C(=O)c1cc(ncc1)C(=O)OCC 1P001I5W [0,0,0,0,1,1|1,0,1]=4 494 B16R1.959 CCOC(=O)c1cccnc1SCC(=O)O 1P019VOD [0,0,0,0,0,2|1,0,0]=3 495 B16R1.4440 CCOC(=O)CCc1ccccc1[N+](=O)[O-] 1P003QMC [0,0,0,0,0,2|1,0,1]=4 496 B16R1.4440 CCOC(=O)CNc1ccccc1C(=O)N 1P01A4FV [0,0,0,0,0,2|1,0,0]=3 497 B16R1.4440 CCOC(=O)COc1ccccc1C(=O)C 1P019NB3 [0,0,0,0,0,2|1,0,0]=3 498 B16R1.4440 CCOC(=O)COc1ccccc1C(=O)N 1P00JHIR [0,0,0,0,0,2|1,0,0]=3 499 B16R1.4440 CCOC(=O)COc1ccccc1C(=O)O 1P019X32 [0,0,0,0,0,2|0,0,0]=2 500 B16R1.4440 CCOC(=O)CSc1ccccc1[N+](=O)[O-] 1P00BK7D [0,0,0,0,0,2|1,0,1]=4 501 B16R1.4440 CCOC(=O)\C=C\c1ccccc1B(O)O 1P024IBI [0,0,0,0,0,2|1,0,1]=4 502 B16R1.4440 CCOC(=O)\C=C\c1ccccc1[N+](=O)[O-] 1P00I55P [0,0,0,0,0,2|1,0,1]=4