0 B29R2.27321699 CCOc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_100000764113 [0,0,0,0,0,0|0,0,0]=0 1 B28R2.24874499 CCOc1ccccc1OCCNC(=O)Nc2ccc(c(c2)S(=O)(=O)N)C 2430a_100000198553_100011200955 [1,0,0,0,0,0|2,0,1]=4 2 B28R2.92545503 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCOc2ccccc2C#N 2230a_200010186307_100000743737 [1,0,0,0,0,0|1,0,1]=3 3 B28R2.92545503 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCOc2ccccc2C=O 2230a_200010186307_100009990610 [1,0,0,0,0,0|1,0,1]=3 4 B28R2.92545503 COc1ccccc1C=CCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 270004a_200010186307_100000210733 [1,0,0,0,0,0|1,0,1]=3 5 B28R2.92545503 COc1ccccc1CCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 270004a_200010186307_100011713476 [1,0,0,0,0,0|1,0,0]=2 6 B28R2.92545503 COc1ccccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_100000188471 [1,0,0,0,0,0|0,0,0]=1 7 B30R2.136917117 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCOc2ccccc2OC(C)C 2230a_200010186307_200000069109 [0,1,0,0,0,0|0,0,0]=1 8 B30R2.459075115 CCOc1ccccc1OCCN(C)[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_100015190210_200000210301 [0,1,0,0,0,0|0,0,0]=1 9 B30R2.459075115 CCOc1ccccc1OCCN(C)[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 269982a_100015190210_200000210301 [0,1,0,0,0,0|0,0,0]=1 10 B30R2.459075115 CCOc1ccccc1OCCN([13CH3])[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_100015190210_200025704644 [0,1,0,0,0,0|0,0,0]=1 11 B30R2.459075115 CCOc1ccccc1OCCN([13CH3])[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 269982a_100015190210_200025704644 [0,1,0,0,0,0|0,0,0]=1 12 B30R2.649348562 CCOc1ccccc1NC(=O)CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_100000182857 [0,1,0,0,0,0|1,0,1]=3 13 B30R2.649929190 CCOc1ccccc1C=CC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 240690a_200010186307_100016304775 [0,1,0,0,0,0|1,0,2]=4 14 B30R2.649929190 CCOc1ccccc1CCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 240690a_200010186307_100000198557 [0,1,0,0,0,0|1,0,1]=3 15 B30R2.649929190 CCOc1ccccc1CCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 527a_200010186307_100000198557 [0,1,0,0,0,0|1,0,1]=3 16 B30R2.649929190 CCOc1ccccc1CNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2708a_100000188671_200010186307 [0,1,0,0,0,0|2,0,1]=4 17 B30R2.649929190 CCOc1ccccc1CNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2708a_200010186307_100000188671 [0,1,0,0,0,0|2,0,1]=4 18 B30R2.649929190 CCOc1ccccc1CNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 273464a_100000188671_200010186307 [0,1,0,0,0,0|2,0,1]=4 19 B30R2.649929190 CCOc1ccccc1CNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 273464a_200010186307_100000188671 [0,1,0,0,0,0|2,0,1]=4 20 B30R2.649929190 CCOc1ccccc1CNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 512a_100000188671_200010186307 [0,1,0,0,0,0|2,0,1]=4 21 B30R2.649929190 CCOc1ccccc1CNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 512a_200010186307_100000188671 [0,1,0,0,0,0|2,0,1]=4 22 B30R2.649929190 CCOc1ccccc1NNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 273464a_200010186307_200020603589 [0,1,0,0,0,0|2,0,1]=4 23 B30R2.649929190 CCOc1ccccc1NNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 512a_200010186307_200020603589 [0,1,0,0,0,0|2,0,1]=4 24 B30R2.649929190 CCOc1ccccc1OCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 240690a_200010186307_100000182497 [0,1,0,0,0,0|0,0,1]=2 25 B30R2.649929190 CCOc1ccccc1OCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 527a_200010186307_100000182497 [0,1,0,0,0,0|0,0,1]=2 26 B30R3.20414037 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCC2=Cc3ccccc3OC2C 270004a_200010186307_100000013605 [0,0,0,1,0,0|1,0,1]=3 27 B30R3.1367101131 CCn1c(cc2c1cccc2)CN[C@H](C)Cc3ccc(c(c3)S(=O)(=O)N)OC 270004a_200010186307_100009845677 [0,0,0,1,0,0|2,0,1]=4 28 B30R3.1367101131 CCn1c(nc2c1cccc2)CN[C@H](C)Cc3ccc(c(c3)S(=O)(=O)N)OC 207a_200010186307_100000186150 [0,0,0,1,0,0|2,0,1]=4 29 B30R3.1367101131 CCn1c(nc2c1cccc2)CN[C@H](C)Cc3ccc(c(c3)S(=O)(=O)N)OC 270004a_200010186307_100000186150 [0,0,0,1,0,0|2,0,1]=4 30 B27R2.19037193 CCOc1ccccc1OCCNC(C)Cc2ccc(c(c2)OC)OC 270004a_100011200955_100000211454 [2,0,0,0,0,0|1,1,0]=4 31 B27R2.8236183 COc1ccccc1OCCCCSc2ccc(c(c2)S(=O)(=O)N)OC 62a_100000164584_200011219331 [2,0,0,0,0,0|2,0,0]=4 32 B27R2.74008532 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCCc2ccccc2Br 2230a_200010186307_200011713681 [2,0,0,0,0,0|2,0,0]=4 33 B27R2.74008532 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCOc2ccccc2Br 2230a_200010186307_100000695877 [2,0,0,0,0,0|1,0,0]=3 34 B27R2.74008532 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCOc2ccccc2C 2230a_200010186307_100000184434 [2,0,0,0,0,0|0,0,0]=2 35 B27R2.74008532 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCOc2ccccc2F 2230a_200010186307_100000183290 [2,0,0,0,0,0|1,0,0]=3 36 B29R2.120312642 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCOc2ccccc2C(=O)C 2230a_200010186307_100000184561 [1,1,0,0,0,0|0,0,1]=3 37 B29R2.120312642 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCOc2ccccc2[N+](=O)[O-] 2230a_200010186307_100000741959 [1,1,0,0,0,0|2,0,0]=4 38 B29R2.120313055 COc1cc(ccc1OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC)C 2230a_200010186307_100011259456 [1,1,0,0,0,0|0,0,0]=2 39 B29R2.181777351 CCc1ccccc1NC(=O)CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_100000180193 [1,1,0,0,0,0|1,0,1]=4 40 B29R2.181777351 COc1ccccc1NC(=O)CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_100000182883 [1,1,0,0,0,0|1,0,1]=4 41 B29R2.182290309 CCc1ccccc1OCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 240690a_200010186307_100000182566 [1,1,0,0,0,0|0,0,1]=3 42 B29R2.182290309 CCc1ccccc1OCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 527a_200010186307_100000182566 [1,1,0,0,0,0|0,0,1]=3 43 B29R2.182290309 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NC(=O)COc2ccccc2CO 240690a_200010186307_200011894254 [1,1,0,0,0,0|1,0,1]=4 44 B29R2.182290309 COc1ccccc1CCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 240690a_200010186307_100000184355 [1,1,0,0,0,0|1,0,1]=4 45 B29R2.182290309 COc1ccccc1CCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 527a_200010186307_100000184355 [1,1,0,0,0,0|1,0,1]=4 46 B29R2.182290309 COc1ccccc1OCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 240690a_200010186307_100000182946 [1,1,0,0,0,0|0,0,1]=3 47 B29R2.182290309 COc1ccccc1OCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 527a_200010186307_100000182946 [1,1,0,0,0,0|0,0,1]=3 48 B29R2.120307308 COC(=O)c1ccccc1CCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_200010284099 [0,1,0,0,1,0|2,0,0]=4 49 B29R2.562307358 CCOc1ccccc1CC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 240690a_200010186307_100011247627 [0,1,0,0,1,0|0,0,1]=3 50 B29R2.562307358 CCOc1ccccc1CC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 527a_200010186307_100011247627 [0,1,0,0,1,0|0,0,1]=3 51 B29R2.562307358 CCOc1ccccc1CC(C)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 270004a_200010186307_200000075427 [0,1,0,0,1,0|0,0,0]=2 52 B29R2.562307358 CCOc1ccccc1NC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2430a_100000211218_200010186307 [0,1,0,0,1,0|1,0,1]=4 53 B31R2.260390561 CCOc1ccccc1CCNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2708a_100000750806_200010186307 [0,1,0,0,0,1|1,0,1]=4 54 B31R2.260390561 CCOc1ccccc1CCNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2708a_200010186307_100000750806 [0,1,0,0,0,1|1,0,1]=4 55 B31R2.260390561 CCOc1ccccc1CCNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 273464a_100000750806_200010186307 [0,1,0,0,0,1|1,0,1]=4 56 B31R2.260390561 CCOc1ccccc1CCNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 273464a_200010186307_100000750806 [0,1,0,0,0,1|1,0,1]=4 57 B31R2.260390561 CCOc1ccccc1CCNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 512a_100000750806_200010186307 [0,1,0,0,0,1|1,0,1]=4 58 B31R2.260390561 CCOc1ccccc1CCNC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 512a_200010186307_100000750806 [0,1,0,0,0,1|1,0,1]=4 59 B31R2.260415404 CCOc1ccccc1OCC(=O)NN=C(C)Cc2ccc(c(c2)S(=O)(=O)N)OC 4a_100000182891_100010186306 [0,1,0,0,0,1|0,0,2]=4 60 B31R2.260470699 CCOc1ccccc1NC(=O)CCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_100000689532 [0,1,0,0,0,1|1,0,0]=3 61 B31R2.375665615 CCCOc1ccccc1NC(=O)CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_100000239563 [0,2,0,0,0,0|1,0,1]=4 62 B31R2.375855496 CCCOc1ccccc1OCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 240690a_200010186307_100000184763 [0,2,0,0,0,0|0,0,1]=3 63 B31R2.375855496 CCCOc1ccccc1OCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 527a_200010186307_100000184763 [0,2,0,0,0,0|0,0,1]=3 64 B31R2.76869239 CCC(C)c1ccccc1OCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 240690a_200010186307_100000189062 [0,2,0,0,0,0|1,0,1]=4 65 B31R2.76869239 CCC(C)c1ccccc1OCC(=O)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 527a_200010186307_100000189062 [0,2,0,0,0,0|1,0,1]=4 66 B31R2.260670445 CCOc1ccccc1OCCN(CC)[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_100015190210_100000210202 [0,2,0,0,0,0|0,0,0]=2 67 B31R2.260670445 CCOc1ccccc1OCCN(CC)[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 269982a_100015190210_100000204670 [0,2,0,0,0,0|0,0,0]=2 68 B31R2.260670445 CCOc1ccccc1OCCN(CF)[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 269982a_100015190210_100015361967 [0,2,0,0,0,0|0,0,0]=2 69 B31R2.196007720 CCOc1ccccc1NC(=O)C(C)N[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_100000230303 [0,2,0,0,0,0|1,0,1]=4 70 B29R3.16560269 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCc2oc3ccccc3c2C 207a_200010186307_100000077534 [1,0,0,1,0,0|0,0,2]=4 71 B29R3.16560269 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCc2oc3ccccc3c2C 270004a_200010186307_100000077534 [1,0,0,1,0,0|0,0,2]=4 72 B29R3.980465085 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NC2CCc3c2cccc3OC 269862a_200010186307_100000687888 [1,0,0,1,0,0|1,0,0]=3 73 B29R3.1301657444 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCC2=Cc3ccccc3OC2 270004a_200010186307_100000013085 [1,0,0,1,0,0|1,0,1]=4 74 B29R3.1301657444 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCC2COc3ccccc3O2 2230a_200010186307_100011215957 [1,0,0,1,0,0|0,0,0]=2 75 B29R3.2441864016 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NC2CCc3ccccc3CC2 270004a_200010186307_100009869843 [1,0,0,1,0,0|1,0,0]=3 76 B31R3.1435572837 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCC(=O)N2CCOc3c2cccc3 2230a_200010186307_100011294157 [0,1,0,1,0,0|1,0,1]=4 77 B31R3.2361899156 CCc1c(oc2c1cccc2)C(C)N[C@H](C)Cc3ccc(c(c3)S(=O)(=O)N)OC 269862a_200010186307_100000008396 [0,1,0,1,0,0|1,0,1]=4 78 B31R3.2361938005 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NC(=O)C2CCOc3ccccc3O2 240690a_200010186307_100000097261 [0,1,0,1,0,0|0,0,1]=3 79 B31R3.2361938005 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NC(=O)C2CCOc3ccccc3O2 527a_200010186307_100000097261 [0,1,0,1,0,0|0,0,1]=3 80 B27R2.30099180 CCOc1ccccc1OCCNC(=O)c2ccc(c(c2)S(=O)(=O)N)C 240690a_100011200955_200000209930 [1,0,0,0,1,0|1,0,1]=4 81 B27R2.30091303 CCOc1ccccc1CCCNCc2ccc(c(c2)S(=O)(=O)[O-])OC 207a_106744479500_200000034484 [1,0,0,0,1,0|2,0,0]=4 82 B27R2.30091303 CCOc1ccccc1OCCNCc2ccc(c(c2)S(=O)(=O)[O-])OC 207a_100011200955_200000034484 [1,0,0,0,1,0|1,0,0]=3 83 B27R2.8323809 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCc2ccccc2C#N 2230a_200010186307_200013032965 [1,0,0,0,1,0|1,0,1]=4 84 B27R2.8323809 COc1ccc(cc1S(=O)(=O)N)C[C@@H](C)NCCc2ccccc2C=O 2230a_200010186307_100010186698 [1,0,0,0,1,0|1,0,1]=4 85 B27R2.8323809 COc1ccccc1CCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_100011713687 [1,0,0,0,1,0|0,0,0]=2 86 B27R2.8323809 COc1ccccc1CCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 270004a_200010186307_100011713418 [1,0,0,0,1,0|0,0,0]=2 87 B27R2.19019668 CCOc1ccccc1CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 207a_200010186307_100000169843 [0,0,0,0,2,0|0,0,0]=2 88 B27R2.19019668 CCOc1ccccc1CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 270004a_200010186307_100000169843 [0,0,0,0,2,0|0,0,0]=2 89 B27R2.19019668 CCOc1cccnc1CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 207a_200010186307_100009876934 [0,0,0,0,2,0|1,0,0]=3 90 B27R2.19019668 CCOc1cccnc1CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 270004a_200010186307_100009876934 [0,0,0,0,2,0|1,0,0]=3 91 B27R2.19019668 CCOc1ccncc1CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 270004a_200010186307_200011935332 [0,0,0,0,2,0|1,0,0]=3 92 B27R2.19019668 CCOc1ncccc1CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 207a_200010186307_100011290805 [0,0,0,0,2,0|1,0,0]=3 93 B27R2.19019668 CCOc1ncccc1CN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 270004a_200010186307_100011290805 [0,0,0,0,2,0|1,0,0]=3 94 B29R2.43055110 CCOc1cccc(c1)OCCN[C@H](C)Cc2ccc(c(c2)S(=O)(=O)N)OC 2230a_200010186307_100011649637 [0,0,0,0,1,1|0,0,0]=2