0 B15R2.13598 C=C(C)c1ccc2c(cccc2c1)N 271570a_100000694244_100010090037 [1,0,0,0,0,0|3,0,0]=4 1 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200000210301 [1,0,0,0,0,0|3,0,0]=4 2 B15R2.13598 CC(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200000210301 [1,0,0,0,0,0|3,0,0]=4 3 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Br 1458a_100000691321_200025704644 [1,0,0,0,0,0|3,0,0]=4 4 B15R2.13598 [13CH3]C(=O)c1ccc2c(cccc2c1)Cl 1458a_100010089951_200025704644 [1,0,0,0,0,0|3,0,0]=4 5 B15R1.533 C=C=Cc1cc(ccc1C=O)S(=O)(=O)C 271570a_100015277604_200000036326 [0,0,1,0,0,0|2,0,1]=4 6 B15R1.533 C=C=Cc1cc(ccc1NN)S(=O)(=O)C 271570a_100015277604_100009814396 [0,0,1,0,0,0|2,0,1]=4 7 B15R1.533 CC=Cc1cc(ccc1C=O)S(=O)(=O)C 271570a_100016259895_200000036326 [0,0,1,0,0,0|2,0,1]=4 8 B15R1.533 CC=Cc1cc(ccc1NN)S(=O)(=O)C 271570a_100016259895_100009814396 [0,0,1,0,0,0|2,0,1]=4 9 B15R1.781 C=CCC(=O)c1ccc(cc1)S(=O)(=O)C 1458a_100000185160_100000210623 [0,0,1,0,0,0|2,0,1]=4 10 B15R1.781 C=CCC(=O)c1ccc(cc1)S(=O)(=O)N 1458a_100000176671_100000210623 [0,0,1,0,0,0|2,0,1]=4 11 B14R1.437 C=C=Cc1cc(ccc1N)S(=O)(=O)C 271570a_100015277604_100000743533 [1,0,1,0,0,0|1,0,1]=4 12 B14R1.437 C=C=Cc1cc(ccc1N)S(=O)(=O)N 271570a_100015277604_100000736770 [1,0,1,0,0,0|1,0,1]=4 13 B14R1.437 CC=Cc1cc(ccc1N)S(=O)(=O)C 271570a_100016259895_100000743533 [1,0,1,0,0,0|1,0,1]=4 14 B14R1.437 CC=Cc1cc(ccc1N)S(=O)(=O)N 271570a_100016259895_100000736770 [1,0,1,0,0,0|1,0,1]=4 15 B14R1.3654 C=Cc1cc(ccc1C=O)S(=O)(=O)C 271570a_100011290941_200000036326 [1,0,1,0,0,0|2,0,0]=4 16 B14R1.3654 C=Cc1cc(ccc1NN)S(=O)(=O)C 271570a_100011290941_100009814396 [1,0,1,0,0,0|2,0,0]=4 17 B14R2.781 CC(=O)c1ccc2ccccc2c1 1458a_100000210637_200000210301 [2,0,0,0,0,0|2,0,0]=4 18 B14R2.781 [13CH3]C(=O)c1ccc2ccccc2c1 1458a_100000210637_200025704644 [2,0,0,0,0,0|2,0,0]=4 19 B14R2.1801 C=Cc1ccc2c(cccc2c1)N 271570a_100011290941_100010090037 [2,0,0,0,0,0|2,0,0]=4 20 B14R2.1801 COc1ccc2c(cccc2c1)N 34a_100000034668_200000210301 [2,0,0,0,0,0|1,1,0]=4 21 B14R2.1801 COc1ccc2c(cccc2c1)N 7a_100000034668_200000210301 [2,0,0,0,0,0|1,1,0]=4 22 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_100010090037_200000210301 [2,0,0,0,0,0|1,0,1]=4 23 B14R2.1801 CSc1ccc2c(cccc2c1)N 62a_200000210301_100010090037 [2,0,0,0,0,0|1,0,1]=4 24 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 34a_100000034668_200025704644 [2,0,0,0,0,0|1,1,0]=4 25 B14R2.1801 [13CH3]Oc1ccc2c(cccc2c1)N 7a_100000034668_200025704644 [2,0,0,0,0,0|1,1,0]=4 26 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_100010090037_200025704644 [2,0,0,0,0,0|1,0,1]=4 27 B14R2.1801 [13CH3]Sc1ccc2c(cccc2c1)N 62a_200025704644_100010090037 [2,0,0,0,0,0|1,0,1]=4 28 B16R2.3864 CNS(=O)(=O)c1ccc2ccccc2c1 270084a_100102657272_100000210365 [1,1,0,0,0,0|1,0,0]=3 29 B16R2.3864 CNS(=O)(=O)c1ccc2ccccc2c1 274078a_100102657272_100000210365 [1,1,0,0,0,0|1,0,0]=3 30 B16R2.126901 CS(=O)(=O)c1ccc2nccc(c2c1)O 271570a_203496583355_200010263595 [1,1,0,0,0,0|2,0,0]=4 31 B16R2.173132 COC(=O)c1ccc2c(cccc2c1)O 271570a_203496583355_100010188500 [1,1,0,0,0,0|2,0,0]=4 32 B18R2.1181334 CCS(=O)(=O)Nc1ccc2c(cccc2c1)O 232682a_100000035793_100000211323 [0,1,0,0,0,1|2,0,0]=4 33 B16R2.2310 CS(=O)(=O)c1ccc(cc1)c2ccco2 271570a_100000040133_100009814098 [0,0,1,1,0,0|2,0,0]=4 34 B16R2.2310 CS(=O)(=O)c1ccc(cc1)c2ccco2 271570a_100000750936_100000765142 [0,0,1,1,0,0|2,0,0]=4 35 B16R2.2310 CS(=O)(=O)c1ccc(cc1)c2cccs2 271570a_100000040133_100011215356 [0,0,1,1,0,0|2,0,0]=4 36 B16R2.2310 CS(=O)(=O)c1ccc(cc1)c2cccs2 271570a_100000742291_100000765142 [0,0,1,1,0,0|2,0,0]=4 37 B16R2.2310 CS(=O)(=O)c1ccc(cc1)c2ncc[nH]2 271570a_100000040133_100025796157 [0,0,1,1,0,0|2,0,0]=4 38 B16R2.2310 CS(=O)(=O)c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000765142 [0,0,1,1,0,0|2,0,0]=4 39 B16R2.2310 NS(=O)(=O)c1ccc(cc1)c2ccco2 271570a_100000731384_100009814098 [0,0,1,1,0,0|2,0,0]=4 40 B16R2.2310 NS(=O)(=O)c1ccc(cc1)c2ccco2 271570a_100000750936_100000701559 [0,0,1,1,0,0|2,0,0]=4 41 B16R2.2310 NS(=O)(=O)c1ccc(cc1)c2cccs2 271570a_100000731384_100011215356 [0,0,1,1,0,0|2,0,0]=4 42 B16R2.2310 NS(=O)(=O)c1ccc(cc1)c2cccs2 271570a_100000742291_100000701559 [0,0,1,1,0,0|2,0,0]=4 43 B16R2.2310 NS(=O)(=O)c1ccc(cc1)c2ncc[nH]2 271570a_100000731384_100025796157 [0,0,1,1,0,0|2,0,0]=4 44 B16R2.2310 NS(=O)(=O)c1ccc(cc1)c2ncc[nH]2 271570a_100016988920_100000701559 [0,0,1,1,0,0|2,0,0]=4 45 B16R2.2310 O=S(=O)(F)c1ccc(cc1)c2ccco2 271570a_100021599294_100009814098 [0,0,1,1,0,0|2,0,0]=4 46 B16R2.2310 O=S(=O)(F)c1ccc(cc1)c2cccs2 271570a_100021599294_100011215356 [0,0,1,1,0,0|2,0,0]=4 47 B16R2.2310 O=S(=O)(F)c1ccc(cc1)c2ncc[nH]2 271570a_100021599294_100025796157 [0,0,1,1,0,0|2,0,0]=4 48 B16R2.2311 CS(=O)(=O)c1cccc(c1)c2ccco2 271570a_100000750936_100009815773 [0,0,1,1,0,0|2,0,0]=4 49 B16R2.2311 CS(=O)(=O)c1cccc(c1)c2ccco2 271570a_100010184856_100009814098 [0,0,1,1,0,0|2,0,0]=4 50 B16R2.2311 CS(=O)(=O)c1cccc(c1)c2cccs2 271570a_100000742291_100009815773 [0,0,1,1,0,0|2,0,0]=4 51 B16R2.2311 CS(=O)(=O)c1cccc(c1)c2cccs2 271570a_100010184856_100011215356 [0,0,1,1,0,0|2,0,0]=4 52 B16R2.2311 CS(=O)(=O)c1cccc(c1)c2ncc[nH]2 271570a_100010184856_100025796157 [0,0,1,1,0,0|2,0,0]=4 53 B16R2.2311 CS(=O)(=O)c1cccc(c1)c2ncc[nH]2 271570a_100016988920_100009815773 [0,0,1,1,0,0|2,0,0]=4 54 B16R2.2311 NS(=O)(=O)c1cccc(c1)c2ccco2 271570a_100000729411_100009814098 [0,0,1,1,0,0|2,0,0]=4 55 B16R2.2311 NS(=O)(=O)c1cccc(c1)c2ccco2 271570a_100000750936_100000164563 [0,0,1,1,0,0|2,0,0]=4 56 B16R2.2311 NS(=O)(=O)c1cccc(c1)c2cccs2 271570a_100000729411_100011215356 [0,0,1,1,0,0|2,0,0]=4 57 B16R2.2311 NS(=O)(=O)c1cccc(c1)c2cccs2 271570a_100000742291_100000164563 [0,0,1,1,0,0|2,0,0]=4 58 B16R2.2311 NS(=O)(=O)c1cccc(c1)c2ncc[nH]2 271570a_100000729411_100025796157 [0,0,1,1,0,0|2,0,0]=4 59 B16R2.2311 NS(=O)(=O)c1cccc(c1)c2ncc[nH]2 271570a_100016988920_100000164563 [0,0,1,1,0,0|2,0,0]=4 60 B16R2.82802 CS(=O)(=O)Nc1ccc2ccccc2c1 40a_100000211940_100000738038 [1,0,0,0,0,1|1,0,0]=3 61 B16R2.82802 CS(=O)(=O)Nc1ccc2cccnc2c1 40a_100102887122_100000738038 [1,0,0,0,0,1|2,0,0]=4 62 B16R2.82802 CS(=O)(=O)Nc1ccc2ccncc2c1 40a_100000069342_100000738038 [1,0,0,0,0,1|2,0,0]=4 63 B16R2.82802 CS(=O)(=O)Nc1ccc2cnccc2c1 40a_100000039641_100000738038 [1,0,0,0,0,1|2,0,0]=4 64 B16R2.82802 CS(=O)(=O)Nc1ccc2ncccc2c1 40a_100011198106_100000738038 [1,0,0,0,0,1|2,0,0]=4 65 B18R2.483676 NS(=O)(=O)CSc1ccc2c(cccc2c1)O 62a_100000741382_100010202202 [0,0,0,0,0,2|2,0,0]=4 66 B18R2.483676 Nc1cccc2c1ccc(c2)OCS(=O)(=O)[O-] 34a_100000034668_100009817235 [0,0,0,0,0,2|0,0,1]=3 67 B18R2.483676 Nc1cccc2c1ccc(c2)SCS(=O)(=O)N 62a_100000741382_100010090037 [0,0,0,0,0,2|1,0,0]=3 68 B18R2.483676 Nc1cccc2c1ccc(c2)SCS(=O)(=O)N 62a_100010090037_100000741382 [0,0,0,0,0,2|1,0,0]=3 69 B18R2.483676 Nc1cccc2c1ccc(c2)SCS(=O)(=O)[O-] 62a_100009817235_100010090037 [0,0,0,0,0,2|0,0,1]=3 70 B18R2.483676 Nc1cccc2c1ccc(c2)SCS(=O)(=O)[O-] 62a_100010090037_100009817235 [0,0,0,0,0,2|0,0,1]=3 71 B18R2.483676 Nc1cccc2c1ncc(c2)SCS(=O)(=O)N 62a_100000741382_100000702407 [0,0,0,0,0,2|2,0,0]=4 72 B18R2.483676 Nc1cccc2c1ncc(c2)SCS(=O)(=O)[O-] 62a_100009817235_100000702407 [0,0,0,0,0,2|1,0,1]=4 73 B18R2.483676 Nc1ccnc2c1ccc(c2)SCS(=O)(=O)N 62a_200009816820_100000741382 [0,0,0,0,0,2|2,0,0]=4 74 B18R2.483676 Nc1ccnc2c1ccc(c2)SCS(=O)(=O)[O-] 62a_200009816820_100009817235 [0,0,0,0,0,2|1,0,1]=4 75 B18R2.483676 Nc1nccc2c1ccc(c2)SCS(=O)(=O)N 62a_100000732483_100000741382 [0,0,0,0,0,2|2,0,0]=4 76 B18R2.483676 Nc1nccc2c1ccc(c2)SCS(=O)(=O)N 62a_100000741382_100000732483 [0,0,0,0,0,2|2,0,0]=4 77 B18R2.483676 Nc1nccc2c1ccc(c2)SCS(=O)(=O)[O-] 62a_100000732483_100009817235 [0,0,0,0,0,2|1,0,1]=4 78 B18R2.483676 Nc1nccc2c1ccc(c2)SCS(=O)(=O)[O-] 62a_100009817235_100000732483 [0,0,0,0,0,2|1,0,1]=4 79 B18R2.483676 O=S(=O)([O-])CNc1ccc2c(cccc2c1)O 34a_100000035793_100009817235 [0,0,0,0,0,2|1,0,1]=4 80 B18R2.483676 O=S(=O)([O-])CSc1ccc2c(cccc2c1)O 62a_100009817235_100010202202 [0,0,0,0,0,2|1,0,1]=4