0 B14R1.160 CC(=O)ONC(=O)c1ccccc1O 1P002CV3 [0,0,0,0,0,0|3,0,0]=3 1 B14R1.160 CC(=O)O\N=C(/c1ccccc1O)\C 1P00DFJR [0,0,0,0,0,0|4,0,0]=4 2 B14R1.160 CC(COC(=O)c1ccccc1O)C 1P003RJK [0,0,0,0,0,0|3,0,1]=4 3 B14R1.160 CN(CCC(=O)c1ccccc1N)C 1P028SV3 [0,0,0,0,0,0|4,0,0]=4 4 B14R1.160 OC(=O)CCC(=O)c1ccccc1Br 1P00GZBS [0,0,0,0,0,0|1,0,0]=1 5 B14R1.160 OC(=O)CCC(=O)c1ccccc1Cl 1P007DL5 [0,0,0,0,0,0|1,0,0]=1 6 B14R1.160 OC(=O)CCC(=O)c1ccccc1F 1P006QKV [0,0,0,0,0,0|1,0,0]=1 7 B14R1.160 OC(=O)CCC(=O)c1ccccc1N 1P028HS5 [0,0,0,0,0,0|1,0,0]=1 8 B14R1.160 OC(=O)CNC(=O)c1ccccc1Br 1P00522Z [0,0,0,0,0,0|2,0,0]=2 9 B14R1.160 OC(=O)CNC(=O)c1ccccc1C 1P003I65 [0,0,0,0,0,0|2,0,0]=2 10 B14R1.160 OC(=O)CNC(=O)c1ccccc1Cl 1P001WOP [0,0,0,0,0,0|2,0,0]=2 11 B14R1.160 OC(=O)CNC(=O)c1ccccc1F 1P007AL7 [0,0,0,0,0,0|2,0,0]=2 12 B14R1.160 OC(=O)CNC(=O)c1ccccc1I 1P003HXJ [0,0,0,0,0,0|2,0,0]=2 13 B14R1.160 OC(=O)CNC(=O)c1ccccc1N 1P00BHLA [0,0,0,0,0,0|2,0,0]=2 14 B14R1.160 OC(=O)CNC(=O)c1ccccc1O 1P00I99N [0,0,0,0,0,0|1,0,0]=1 15 B14R1.160 OC(=O)CNC(=O)c1ccccc1O 1P02874J [0,0,0,0,0,0|1,0,0]=1 16 B14R1.160 OC(=O)CNC(=O)c1ncccc1O 1P028ATZ [0,0,0,0,0,0|2,0,0]=2 17 B13R1.45 CC(=O)OCC(=O)c1ccccn1 1P01WK93 [1,0,0,0,0,0|3,0,0]=4 18 B13R1.45 CC(COC(=O)c1ccccc1)O 1P00CZ5W [1,0,0,0,0,0|2,0,1]=4 19 B13R1.45 CC(c1ccccc1)CCC(=O)O 1P01A0ZE [1,0,0,0,0,0|1,0,1]=3 20 B13R1.45 CN(CCC(=O)c1ccccc1)C 1P004MEZ [1,0,0,0,0,0|3,0,0]=4 21 B13R1.45 CN(c1ccccc1)CCC(=O)O 1P00CZWC [1,0,0,0,0,0|2,0,0]=3 22 B13R1.45 CN(c1ccccc1)CCC(=O)O 1P01AGZW [1,0,0,0,0,0|2,0,0]=3 23 B13R1.45 CN(c1ccncc1)CCC(=O)O 1P01A5SW [1,0,0,0,0,0|3,0,0]=4 24 B13R1.45 C[C@@H](c1ccccc1)NCC(=O)O 1P003CZ3 [1,0,0,0,0,0|2,0,1]=4 25 B13R1.45 C[C@@H](c1ccccc1)OCC(=O)O 1P01WZUR [1,0,0,0,0,0|2,0,1]=4 26 B13R1.45 C[C@H](c1ccccc1)NCC(=O)O 1P003CNB [1,0,0,0,0,0|2,0,1]=4 27 B13R1.45 FC(CCC(=O)c1ccccc1)F 1P027V94 [1,0,0,0,0,0|2,0,1]=4 28 B13R1.45 NC(c1ccccc1)CCC(=O)O 1P000487 [1,0,0,0,0,0|1,0,1]=3 29 B13R1.45 NC(c1ccccc1)CCC(=O)O 1P0017ZI [1,0,0,0,0,0|1,0,1]=3 30 B13R1.45 N[C@@H](c1ccccc1)CCC(=O)O 1P0003ZN [1,0,0,0,0,0|1,0,1]=3 31 B13R1.45 N[C@H](c1ccccc1)CCC(=O)O 1P00EKFM [1,0,0,0,0,0|1,0,1]=3 32 B13R1.45 O=C(c1ccccc1)C=CC(=O)O 1P00E9PD [1,0,0,0,0,0|0,0,2]=3 33 B13R1.45 O=C(c1ccccc1)CCC(=O)O 1P002ABE [1,0,0,0,0,0|0,0,0]=1 34 B13R1.45 O=C(c1ccccc1)COC(=O)C 1P003U4G [1,0,0,0,0,0|2,0,0]=3 35 B13R1.45 O=C(c1ccccc1)NCC(=O)O 1P003REE [1,0,0,0,0,0|1,0,0]=2 36 B13R1.45 O=C(c1ccccc1)NCC(=O)O 1P00E9YU [1,0,0,0,0,0|1,0,0]=2 37 B13R1.45 O=C(c1ccccc1)NCC(=O)[O-] 1P00C3XG [1,0,0,0,0,0|1,0,1]=3 38 B13R1.45 O=C(c1ccccc1)NCC(=O)[O-] 1P00DF74 [1,0,0,0,0,0|1,0,1]=3 39 B13R1.45 O=C(c1ccccc1)NCC(=S)N 1P00DMB8 [1,0,0,0,0,0|2,1,0]=4 40 B13R1.45 O=C(c1ccccc1)NNC(=O)C 1P009IT5 [1,0,0,0,0,0|3,0,0]=4 41 B13R1.45 O=C(c1ccccc1)OCC(=O)C 1P00FHDE [1,0,0,0,0,0|2,0,0]=3 42 B13R1.45 O=C(c1ccccc1)OCC(=O)Cl 1P019GMX [1,0,0,0,0,0|2,0,0]=3 43 B13R1.45 O=C(c1ccccc1)\C=C\C(=O)O 1P00268F [1,0,0,0,0,0|0,0,2]=3 44 B13R1.45 O=C(c1ccncc1)CCC(=O)O 1P00EDOH [1,0,0,0,0,0|1,0,0]=2 45 B13R1.45 O=C(c1ccncc1)CCC(=O)O 1P01E2KD [1,0,0,0,0,0|1,0,0]=2 46 B13R1.45 O=C(c1ccncc1)NCC(=O)O 1P00BJ41 [1,0,0,0,0,0|2,0,0]=3 47 B13R1.45 O=C(c1ncccn1)NCC(=O)O 1P01KF48 [1,0,0,0,0,0|3,0,0]=4 48 B13R1.45 OC(=O)CCC(=O)c1ccccn1 1P00EDQG [1,0,0,0,0,0|1,0,0]=2 49 B13R1.45 OC(=O)CCC(=O)c1ccccn1 1P01AD3X [1,0,0,0,0,0|1,0,0]=2 50 B13R1.45 OC(=O)CCC(=O)c1cccnc1 1P00BY0L [1,0,0,0,0,0|1,0,0]=2 51 B13R1.45 OC(=O)CCC(=O)c1cccnc1 1P028J6A [1,0,0,0,0,0|1,0,0]=2 52 B13R1.45 OC(=O)CNC(=O)c1ccccn1 1P01AKRI [1,0,0,0,0,0|2,0,0]=3 53 B13R1.45 OC(=O)CNC(=O)c1cccnc1 1P003FKL [1,0,0,0,0,0|2,0,0]=3 54 B13R1.45 S=C(c1ccccc1)SCC(=O)O 1P003UMX [1,0,0,0,0,0|1,1,0]=3 55 B13R1.158 NC(=O)CCNc1ccccc1Cl 1P019PWS [1,0,0,0,0,0|3,0,0]=4 56 B13R1.158 NC(=O)CCNc1ccccc1N 1P01AAVB [1,0,0,0,0,0|3,0,0]=4 57 B13R1.158 NC(=O)CCOc1ccccc1F 1P01AARJ [1,0,0,0,0,0|3,0,0]=4 58 B13R1.158 NC(=O)CCOc1ccccc1N 1P019VKG [1,0,0,0,0,0|3,0,0]=4 59 B13R1.158 NC(=O)CCSc1ccccc1F 1P01AATQ [1,0,0,0,0,0|3,0,0]=4 60 B13R1.158 NC(=O)CCSc1ccccc1N 1P01AAY0 [1,0,0,0,0,0|3,0,0]=4 61 B13R1.158 NC(=O)NN=Cc1ccccc1O 1P00301X [1,0,0,0,0,0|3,0,0]=4 62 B13R1.158 OC(=O)CCCc1ccccc1Br 1P006HPT [1,0,0,0,0,0|1,0,1]=3 63 B13R1.158 OC(=O)CCCc1ccccc1C 1P005MK2 [1,0,0,0,0,0|1,0,1]=3 64 B13R1.158 OC(=O)CCCc1ccccc1Cl 1P00FHXU [1,0,0,0,0,0|1,0,1]=3 65 B13R1.158 OC(=O)CCCc1ccccc1F 1P00ASJL [1,0,0,0,0,0|1,0,1]=3 66 B13R1.158 OC(=O)CCCc1ccccc1O 1P00CJC8 [1,0,0,0,0,0|0,0,1]=2 67 B13R1.158 OC(=O)CCCn1ccccc1=O 1P018SQ8 [1,0,0,0,0,0|1,0,2]=4 68 B13R1.158 OC(=O)CCNc1ccccc1C 1P006Y7W [1,0,0,0,0,0|2,0,0]=3 69 B13R1.158 OC(=O)CCOc1ccccc1Br 1P001WNG [1,0,0,0,0,0|2,0,0]=3 70 B13R1.158 OC(=O)CCOc1ccccc1C 1P002R7J [1,0,0,0,0,0|2,0,0]=3 71 B13R1.158 OC(=O)CCOc1ccccc1Cl 1P0063X8 [1,0,0,0,0,0|2,0,0]=3 72 B13R1.158 OC(=O)CCOc1ccccc1F 1P002ZI9 [1,0,0,0,0,0|2,0,0]=3 73 B13R1.158 OC(=O)CCOc1ccccc1I 1P01BFZO [1,0,0,0,0,0|2,0,0]=3 74 B13R1.158 OC(=O)CCOc1ccccc1O 1P02857H [1,0,0,0,0,0|1,0,0]=2 75 B13R1.158 OC(=O)CCSc1ccccc1Br 1P019USM [1,0,0,0,0,0|2,0,0]=3 76 B13R1.158 OC(=O)CCSc1ccccc1Cl 1P0065DB [1,0,0,0,0,0|2,0,0]=3 77 B13R1.158 OC(=O)CNCc1ccccc1Br 1P019L25 [1,0,0,0,0,0|2,0,1]=4 78 B13R1.158 OC(=O)CNCc1ccccc1C 1P005HGB [1,0,0,0,0,0|2,0,1]=4 79 B13R1.158 OC(=O)COCc1ccccc1C 1P01BV65 [1,0,0,0,0,0|2,0,1]=4 80 B13R1.158 OC(=O)COCc1ccccc1Cl 1P019VPR [1,0,0,0,0,0|2,0,1]=4 81 B13R1.158 OC(=O)COCc1ccccc1F 1P01BX30 [1,0,0,0,0,0|2,0,1]=4 82 B13R1.158 OC(=O)CSCc1ccccc1C 1P00ABQQ [1,0,0,0,0,0|2,0,1]=4 83 B13R1.158 OC(=O)CSCc1ccccc1Cl 1P00FDKO [1,0,0,0,0,0|2,0,1]=4 84 B13R1.158 OC(=O)CSCc1ccccc1F 1P01KB75 [1,0,0,0,0,0|2,0,1]=4 85 B13R1.158 OC(=O)C\C=C\c1ccccc1F 1P009CLL [1,0,0,0,0,0|1,0,1]=3 86 B13R1.158 [O-]C(=O)CCSc1ccccc1F 1P006YJJ [1,0,0,0,0,0|2,0,1]=4 87 B13R1.674 C=CCCC(=O)c1ccccc1F 1P0284WA [1,0,0,0,0,0|2,0,0]=3 88 B13R1.674 C=CCNC(=O)c1ccccc1N 1P00DIWY [1,0,0,0,0,0|3,0,0]=4 89 B13R1.674 CCCCC(=O)c1ccccc1Cl 1P02519O [1,0,0,0,0,0|2,0,1]=4 90 B13R1.674 CCCCC(=O)c1ccccc1F 1P01RB8X [1,0,0,0,0,0|2,0,1]=4 91 B13R1.674 CCCOC(=O)c1ccccc1O 1P003UNG [1,0,0,0,0,0|2,0,1]=4 92 B13R1.674 ClCCCC(=O)c1ccccc1F 1P00386B [1,0,0,0,0,0|2,0,1]=4 93 B13R1.674 NCCNC(=O)c1ccccc1O 1P027W8S [1,0,0,0,0,0|2,0,1]=4 94 B13R1.674 OCCNC(=O)c1ccccc1N 1P00DNI2 [1,0,0,0,0,0|2,0,1]=4 95 B13R1.674 OCCNC(=O)c1ccccc1N 1P01AGZ0 [1,0,0,0,0,0|2,0,1]=4 96 B13R1.674 OCCOC(=O)c1ccccc1O 1P004M9J [1,0,0,0,0,0|1,0,1]=3 97 B15R1.86 COc1ccccc1C(=O)NCC(=O)O 1P0080G9 [0,1,0,0,0,0|1,0,0]=2 98 B15R1.5793 OC(=O)C(CC(=O)c1ccccc1F)C 1P019SC4 [0,1,0,0,0,0|1,0,0]=2 99 B15R1.5793 OC(=O)C(CC(=O)c1ccccc1N)N 1P00BCV2 [0,1,0,0,0,0|1,0,0]=2 100 B15R1.5793 OC(=O)C(CC(=O)c1ccccc1N)N 1P00BZG4 [0,1,0,0,0,0|1,0,0]=2 101 B15R1.5793 OC(=O)C(NC(=O)c1ccccc1Cl)C 1P019I63 [0,1,0,0,0,0|2,0,0]=3 102 B15R1.5793 OC(=O)[C@@H](CC(=O)c1ccccc1N)N 1P002FYK [0,1,0,0,0,0|1,0,0]=2 103 B15R1.5793 OC(=O)[C@@H](CC(=O)c1ccccc1N)N 1P003GUM [0,1,0,0,0,0|1,0,0]=2 104 B15R1.5793 OC(=O)[C@@H](NC(=O)c1ccccc1C)C 1P019QWG [0,1,0,0,0,0|2,0,0]=3 105 B15R1.5793 OC(=O)[C@@H](NC(=O)c1ccccc1Cl)C 1P019QUV [0,1,0,0,0,0|2,0,0]=3 106 B15R1.5793 OC(=O)[C@H](CC(=O)c1ccccc1N)N 1P001SHK [0,1,0,0,0,0|1,0,0]=2 107 B15R1.5793 OC(=O)[C@H](CC(=O)c1ccccc1N)N 1P002Y85 [0,1,0,0,0,0|1,0,0]=2 108 B15R1.5815 ClCC(=O)NCC(=O)c1ccccc1Br 1P01AL3J [0,1,0,0,0,0|3,0,0]=4 109 B15R1.5815 ClCC(=O)NCC(=O)c1ccccc1F 1P028PKU [0,1,0,0,0,0|3,0,0]=4 110 B15R1.5822 CC(=O)OCC(=O)c1ccc(cc1F)F 1P0017HB [0,1,0,0,0,0|3,0,0]=4 111 B15R1.5822 OC(=O)CCC(=O)c1ccc(cc1F)F 1P007C6I [0,1,0,0,0,0|1,0,0]=2 112 B15R1.5822 OC(=O)CNC(=O)c1ccc(cc1Cl)Cl 1P005KM2 [0,1,0,0,0,0|2,0,0]=3 113 B15R1.5822 OC(=O)CNC(=O)c1ccc(cc1F)F 1P019PK3 [0,1,0,0,0,0|2,0,0]=3 114 B15R1.5822 OC(=O)\C=C\C(=O)c1ccc(cc1F)F 1P01AGPT [0,1,0,0,0,0|1,0,2]=4 115 B15R1.8020 OC(=O)CCS(=O)(=O)c1ccccc1Cl 1P00IACQ [0,1,0,0,0,0|2,0,0]=3 116 B15R1.8020 OC(=O)CCS(=O)(=O)c1ccccc1F 1P019PBB [0,1,0,0,0,0|2,0,0]=3 117 B15R1.8020 OC(=O)CNS(=O)(=O)c1ccccc1Br 1P019JWC [0,1,0,0,0,0|3,0,0]=4 118 B15R1.8020 OC(=O)CNS(=O)(=O)c1ccccc1Cl 1P019QFX [0,1,0,0,0,0|3,0,0]=4 119 B15R1.8020 OC(=O)CNS(=O)(=O)c1ccccc1F 1P00DBSM [0,1,0,0,0,0|3,0,0]=4 120 B15R1.8020 OC(=O)CNS(=O)(=O)c1ccccc1N 1P01B93A [0,1,0,0,0,0|3,0,0]=4 121 B15R1.8312 O=C(c1c(F)cccc1F)CCC(=O)O 1P006ZO5 [0,1,0,0,0,0|1,0,0]=2 122 B15R1.8312 O=C(c1c(F)cccc1F)COC(=O)C 1P01EBWM [0,1,0,0,0,0|3,0,0]=4 123 B15R1.8312 O=C(c1c(F)cccc1F)NCC(=O)O 1P006JSH [0,1,0,0,0,0|2,0,0]=3 124 B15R1.8312 OC(=O)CNC(=O)c1c(F)cccc1Cl 1P01AH1K [0,1,0,0,0,0|2,0,0]=3 125 B15R1.8420 Cc1ccc(cc1C(=O)CCC(=O)O)C 1P00DBZC [0,1,0,0,0,0|1,0,0]=2 126 B15R1.8420 OC(=O)CCC(=O)c1cc(Cl)ccc1Cl 1P006VY5 [0,1,0,0,0,0|1,0,0]=2 127 B15R1.8420 OC(=O)CCC(=O)c1cc(F)ccc1F 1P008FVT [0,1,0,0,0,0|1,0,0]=2 128 B15R1.8420 OC(=O)CCS(=O)c1cc(Cl)ccc1Cl 1P01EKR9 [0,1,0,0,0,0|2,0,0]=3 129 B15R1.8420 OC(=O)CNC(=O)c1cc(Cl)ccc1Cl 1P00FC8V [0,1,0,0,0,0|2,0,0]=3 130 B15R1.8420 OC(=O)CNC(=O)c1cc(O)ccc1O 1P003R7K [0,1,0,0,0,0|1,0,0]=2 131 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1P00IACK [0,0,0,1,0,0|3,0,0]=4 132 B15R2.6 CC(=O)CCc1n[nH]c2c1cccc2 1P007QVL [0,0,0,1,0,0|3,0,0]=4 133 B15R2.6 NC(=O)CCc1c[nH]c2c1cccc2 1P00EBW2 [0,0,0,1,0,0|3,0,0]=4 134 B15R2.6 OC(=O)CCC1=CCc2c1cccc2 1P01DVD0 [0,0,0,1,0,0|2,0,0]=3 135 B15R2.6 OC(=O)CCc1c[nH]c2c1cccc2 1P003472 [0,0,0,1,0,0|2,0,0]=3 136 B15R2.6 OC(=O)CCc1c[nH]c2c1cccn2 1P002UTZ [0,0,0,1,0,0|3,0,0]=4 137 B15R2.6 OC(=O)CCc1c[nH]c2c1cccn2 1P027WCM [0,0,0,1,0,0|3,0,0]=4 138 B15R2.6 OC(=O)CCc1cnc2n1cccc2 1P0290W5 [0,0,0,1,0,0|3,0,0]=4 139 B15R2.6 OC(=O)CCc1csc2c1cccc2 1P002TSD [0,0,0,1,0,0|1,1,0]=3 140 B15R2.6 OC(=O)CCn1ccc2c1cccc2 1P00FBT2 [0,0,0,1,0,0|3,0,0]=4 141 B15R2.6 OC(=O)CCn1cnc2c1cccc2 1P001LD4 [0,0,0,1,0,0|3,0,0]=4 142 B15R2.6 OC(=O)CCn1cnc2c1cccc2 1P00J1ED [0,0,0,1,0,0|3,0,0]=4 143 B15R2.6 OC(=O)CCn1cnc2c1cccc2 1P00J3FI [0,0,0,1,0,0|3,0,0]=4 144 B15R2.6 OC(=O)CCn1ncc2c1cccc2 1P00J7F3 [0,0,0,1,0,0|3,0,0]=4 145 B15R2.6 OC(=O)CCn1nnc2c1cccc2 1P00IBYA [0,0,0,1,0,0|3,0,0]=4 146 B15R2.6 OC(=O)CSc1c[nH]c2c1cccc2 1P00D9YW [0,0,0,1,0,0|3,0,0]=4 147 B15R2.308 O=C1COC(=NN1)c2ccccc2O 1P01BJ52 [0,0,0,1,0,0|3,0,0]=4 148 B15R2.629 CC(=O)CN1Cc2c(C1=O)cccc2 1P01BEBQ [0,0,0,1,0,0|3,0,0]=4 149 B15R2.629 OC(=O)CC1Cc2c(C1=O)cccc2 1P005F9H [0,0,0,1,0,0|1,0,0]=2 150 B15R2.629 OC(=O)CN1Cc2c(C1=O)cccc2 1P00BZGT [0,0,0,1,0,0|2,0,0]=3 151 B15R2.629 OC(=O)C[C@@H]1Oc2c([C@@H]1C)cccc2 1P028OYD [0,0,0,1,0,0|1,0,1]=3 152 B15R2.629 OC(=O)Cc1oc2c(c1C)cccc2 1P01DYYA [0,0,0,1,0,0|1,0,1]=3 153 B15R2.629 OC(=O)Cc1sc2c(c1C)cccc2 1P001N4G [0,0,0,1,0,0|1,1,1]=4 154 B15R2.629 OC(=O)Cn1[nH]c2c(c1=O)cccc2 1P00J30Q [0,0,0,1,0,0|2,0,0]=3 155 B15R2.629 OC(=O)Cn1nc2n(c1=O)cccc2 1P019L2X [0,0,0,1,0,0|3,0,0]=4 156 B15R2.629 OC(=O)Cn1sc2c(c1=O)cccc2 1P00G98X [0,0,0,1,0,0|1,1,0]=3 157 B15R2.8791 OC(=O)C1CC1(C)c2ccccc2F 1P01AL6P [0,0,0,1,0,0|2,0,1]=4 158 B15R2.8791 OC(=O)[C@@H]1C[C@]1(C)c2ccccc2F 1P028LAU [0,0,0,1,0,0|2,0,1]=4 159 B15R2.13631 OC(=O)C1CC(=O)c2c1cccc2F 1P028413 [0,0,0,1,0,0|1,0,0]=2 160 B15R2.14951 CC(=O)C1OC(=O)c2c(C1)cccc2 1P019KJU [0,0,0,1,0,0|3,0,0]=4 161 B15R2.14951 OC(=O)C1CC(=O)c2c(C1)cccc2 1P00FHKK [0,0,0,1,0,0|1,0,0]=2 162 B15R2.14951 OC(=O)C1CC(=O)c2c(O1)cccc2 1P00DUVQ [0,0,0,1,0,0|0,0,0]=1 163 B15R2.14951 OC(=O)C1NC(=O)c2c(C1)cccc2 1P00EEV0 [0,0,0,1,0,0|2,0,0]=3 164 B15R2.14951 OC(=O)C1OC(=O)c2c(C1)cccc2 1P00EBCQ [0,0,0,1,0,0|2,0,0]=3 165 B15R2.14951 OC(=O)[C@@H]1CC(=O)c2c(N1)cccc2 1P028CJJ [0,0,0,1,0,0|1,0,0]=2 166 B15R2.14951 OC(=O)[C@H]1C[C@@H](C)c2c(N1)cccc2 1P028Z11 [0,0,0,1,0,0|2,0,1]=4 167 B15R2.14951 OC(=O)c1cc(=O)c2c([nH]1)cccc2 1P0072P6 [0,0,0,1,0,0|1,0,2]=4 168 B15R2.14951 OC(=O)c1cc(=O)c2c(o1)cccc2 1P00714I [0,0,0,1,0,0|0,0,2]=3 169 B15R2.14951 OC(=O)c1cc(=O)c2c(o1)cncc2 1P01C5OB [0,0,0,1,0,0|1,0,2]=4 170 B15R2.14951 OC(=O)c1cc2ccccc2c(=O)[nH]1 1P008OKD [0,0,0,1,0,0|2,0,1]=4 171 B15R2.14951 OC(=O)c1cc2ccccc2c(=O)o1 1P01BDBI [0,0,0,1,0,0|2,0,1]=4 172 B15R2.14951 OC(=O)c1nc2ccccc2c(=O)[nH]1 1P002XTZ [0,0,0,1,0,0|2,0,1]=4 173 B13R1.168 Cc1occc1C(=O)NCC(=O)O 1P019W15 [0,0,0,0,1,0|3,0,0]=4 174 B13R1.201 CC(=O)CC(=O)c1ccccc1Br 1P00EG73 [0,0,0,0,1,0|2,0,0]=3 175 B13R1.201 CC(=O)CC(=O)c1ccccc1C 1P00EG6G [0,0,0,0,1,0|2,0,0]=3 176 B13R1.201 CC(=O)CC(=O)c1ccccc1Cl 1P00EG6C [0,0,0,0,1,0|2,0,0]=3 177 B13R1.201 CC(=O)CC(=O)c1ccccc1F 1P0073N4 [0,0,0,0,1,0|2,0,0]=3 178 B13R1.201 CC(=O)CC(=O)c1ccccc1O 1P001X51 [0,0,0,0,1,0|1,0,0]=2 179 B13R1.201 CC(=O)CC(=O)c1ccncc1Cl 1P006Y71 [0,0,0,0,1,0|3,0,0]=4 180 B13R1.201 CC(=O)NC(=O)c1ccccc1O 1P00D8XI [0,0,0,0,1,0|2,0,0]=3 181 B13R1.201 OC(=O)C=C(c1ccccc1Cl)C 1P00HAX9 [0,0,0,0,1,0|2,0,1]=4 182 B13R1.201 OC(=O)C=C(c1ccccc1F)C 1P00HCX4 [0,0,0,0,1,0|2,0,1]=4 183 B13R1.201 OC(=O)CC(c1ccccc1Br)C 1P00IC18 [0,0,0,0,1,0|2,0,1]=4 184 B13R1.201 OC(=O)CC(c1ccccc1Br)N 1P000EOM [0,0,0,0,1,0|2,0,1]=4 185 B13R1.201 OC(=O)CC(c1ccccc1C)C 1P01AJDL [0,0,0,0,1,0|2,0,1]=4 186 B13R1.201 OC(=O)CC(c1ccccc1C)N 1P005Z1Y [0,0,0,0,1,0|2,0,1]=4 187 B13R1.201 OC(=O)CC(c1ccccc1C)N 1P023TSB [0,0,0,0,1,0|2,0,1]=4 188 B13R1.201 OC(=O)CC(c1ccccc1Cl)C 1P00I56H [0,0,0,0,1,0|2,0,1]=4 189 B13R1.201 OC(=O)CC(c1ccccc1Cl)N 1P003JBE [0,0,0,0,1,0|2,0,1]=4 190 B13R1.201 OC(=O)CC(c1ccccc1F)C 1P01AA2J [0,0,0,0,1,0|2,0,1]=4 191 B13R1.201 OC(=O)CC(c1ccccc1F)N 1P000EOL [0,0,0,0,1,0|2,0,1]=4 192 B13R1.201 OC(=O)CC(c1ccccc1O)N 1P00EAGZ [0,0,0,0,1,0|1,0,1]=3 193 B13R1.201 OC(=O)C[C@@H](c1ccccc1Br)N 1P002UM3 [0,0,0,0,1,0|2,0,1]=4 194 B13R1.201 OC(=O)C[C@@H](c1ccccc1C)N 1P008QW8 [0,0,0,0,1,0|2,0,1]=4 195 B13R1.201 OC(=O)C[C@@H](c1ccccc1C)N 1P00DL06 [0,0,0,0,1,0|2,0,1]=4 196 B13R1.201 OC(=O)C[C@@H](c1ccccc1Cl)N 1P003AAP [0,0,0,0,1,0|2,0,1]=4 197 B13R1.201 OC(=O)C[C@@H](c1ccccc1F)N 1P007Z7R [0,0,0,0,1,0|2,0,1]=4 198 B13R1.201 OC(=O)C[C@@H](c1ccccc1O)N 1P01XCE8 [0,0,0,0,1,0|1,0,1]=3 199 B13R1.201 OC(=O)C[C@H](c1ccccc1Br)N 1P00ICWJ [0,0,0,0,1,0|2,0,1]=4 200 B13R1.201 OC(=O)C[C@H](c1ccccc1C)N 1P005Z58 [0,0,0,0,1,0|2,0,1]=4 201 B13R1.201 OC(=O)C[C@H](c1ccccc1C)N 1P028G32 [0,0,0,0,1,0|2,0,1]=4 202 B13R1.201 OC(=O)C[C@H](c1ccccc1Cl)N 1P00ICXJ [0,0,0,0,1,0|2,0,1]=4 203 B13R1.201 OC(=O)C[C@H](c1ccccc1F)N 1P00HYDT [0,0,0,0,1,0|2,0,1]=4 204 B13R1.201 OC(=O)C[C@H](c1ccccc1O)N 1P0063GP [0,0,0,0,1,0|1,0,1]=3 205 B13R1.201 OC(=O)\C=C(\c1ccccc1C)/C 1P01XKOR [0,0,0,0,1,0|2,0,1]=4 206 B15R1.256 O=C(Nc1ccccc1Br)C=CC(=O)O 1P00CKF2 [0,0,0,0,0,1|1,0,2]=4 207 B15R1.256 O=C(Nc1ccccc1Cl)CCC(=O)O 1P00VSCK [0,0,0,0,0,1|1,0,0]=2 208 B15R1.256 O=C(Nc1ccccc1F)CSC(=O)C 1P01BGLU [0,0,0,0,0,1|3,0,0]=4 209 B15R1.256 O=C(Nc1ccccc1F)NCC(=O)O 1P019V9M [0,0,0,0,0,1|2,0,0]=3 210 B15R1.256 O=C(Nc1ccccc1O)C=CC(=O)O 1P01BEJ7 [0,0,0,0,0,1|0,0,2]=3 211 B15R1.256 O=C(Nc1ccccc1O)CCC(=O)O 1P019OB2 [0,0,0,0,0,1|0,0,0]=1 212 B15R1.8019 CC(CCOC(=O)c1ccccc1O)C 1P003RIX [0,0,0,0,0,1|2,0,1]=4 213 B15R1.8019 CN(CCNC(=O)c1ccccc1O)C 1P019OB5 [0,0,0,0,0,1|3,0,0]=4 214 B15R1.8019 NC(=O)CCNC(=O)c1ccccc1N 1P01AAPJ [0,0,0,0,0,1|2,0,0]=3 215 B15R1.8019 OC(=O)CCCC(=O)c1ccccc1N 1P028DSF [0,0,0,0,0,1|1,0,0]=2 216 B15R1.8019 OC(=O)CCNC(=O)c1ccccc1C 1P019P3Y [0,0,0,0,0,1|1,0,0]=2 217 B15R1.8019 OC(=O)CCNC(=O)c1ccccc1Cl 1P00I0B2 [0,0,0,0,0,1|1,0,0]=2 218 B15R1.8019 OC(=O)CCNC(=O)c1ccccc1O 1P01BI7F [0,0,0,0,0,1|0,0,0]=1 219 B12R1.30 C#CCCC(=O)c1ccccc1 1P01DZL3 [2,0,0,0,0,0|1,0,1]=4 220 B12R1.30 C=CCCC(=O)c1ccccc1 1P00C8HW [2,0,0,0,0,0|1,0,0]=3 221 B12R1.30 C=CCOC(=O)c1ccccc1 1P003O69 [2,0,0,0,0,0|2,0,0]=4 222 B12R1.30 CCCCC(=O)c1ccccc1 1P0003LL [2,0,0,0,0,0|1,0,1]=4 223 B12R1.30 CNCCC(=O)c1ccccc1 1P00I5B3 [2,0,0,0,0,0|2,0,0]=4 224 B12R1.30 COCCC(=O)c1ccccc1 1P01A2HK [2,0,0,0,0,0|2,0,0]=4 225 B12R1.30 ClCCCC(=O)c1ccccc1 1P0034GQ [2,0,0,0,0,0|1,0,1]=4 226 B12R1.30 N#CCCC(=O)c1ccccc1 1P003MER [2,0,0,0,0,0|1,0,1]=4 227 B12R1.30 O=CCOC(=O)c1ccccc1 1P00E944 [2,0,0,0,0,0|1,0,0]=3 228 B12R1.30 O=CNCC(=O)c1ccccc1 1P00FGWF [2,0,0,0,0,0|1,0,0]=3 229 B12R1.30 OCCCC(=O)c1ccccc1 1P0077WH [2,0,0,0,0,0|0,0,1]=3 230 B12R1.30 OCCCC(=O)c1cccnc1 1P00EFC0 [2,0,0,0,0,0|1,0,1]=4 231 B12R1.30 OCCNC(=O)c1ccccc1 1P002HBP [2,0,0,0,0,0|1,0,1]=4 232 B12R1.30 OCCOC(=O)c1ccccc1 1P00GXUZ [2,0,0,0,0,0|1,0,1]=4 233 B12R1.252 CC(=O)CCCc1ccccc1 1P00BKCG [2,0,0,0,0,0|1,0,1]=4 234 B12R1.252 ClC(=O)CCCc1ccccc1 1P003MG0 [2,0,0,0,0,0|1,0,1]=4 235 B12R1.252 ClC(=O)CCOc1ccccc1 1P00CF5O [2,0,0,0,0,0|2,0,0]=4 236 B12R1.252 NC(=O)CCNc1ccccc1 1P002L3F [2,0,0,0,0,0|2,0,0]=4 237 B12R1.252 OC(=O)CC#Cc1ccccc1 1P01A0H8 [2,0,0,0,0,0|0,0,2]=4 238 B12R1.252 OC(=O)CC=Cc1ccccc1 1P00389C [2,0,0,0,0,0|0,0,1]=3 239 B12R1.252 OC(=O)CCCc1ccccc1 1P0023U1 [2,0,0,0,0,0|0,0,1]=3 240 B12R1.252 OC(=O)CCCc1ccccn1 1P0034AM [2,0,0,0,0,0|1,0,1]=4 241 B12R1.252 OC(=O)CCCc1ccccn1 1P01ABGB [2,0,0,0,0,0|1,0,1]=4 242 B12R1.252 OC(=O)CCCc1cccnc1 1P01BF81 [2,0,0,0,0,0|1,0,1]=4 243 B12R1.252 OC(=O)CCCc1cccnc1 1P01BFAM [2,0,0,0,0,0|1,0,1]=4 244 B12R1.252 OC(=O)CCCc1ccncc1 1P005FSI [2,0,0,0,0,0|1,0,1]=4 245 B12R1.252 OC(=O)CCCc1ccncc1 1P008SS0 [2,0,0,0,0,0|1,0,1]=4 246 B12R1.252 OC(=O)CCNc1ccccc1 1P003427 [2,0,0,0,0,0|1,0,0]=3 247 B12R1.252 OC(=O)CCNc1ccccn1 1P008UIH [2,0,0,0,0,0|2,0,0]=4 248 B12R1.252 OC(=O)CCNc1ccccn1 1P019VN6 [2,0,0,0,0,0|2,0,0]=4 249 B12R1.252 OC(=O)CCNc1ccncc1 1P01FIW6 [2,0,0,0,0,0|2,0,0]=4 250 B12R1.252 OC(=O)CCOc1ccccc1 1P003KBS [2,0,0,0,0,0|1,0,0]=3 251 B12R1.252 OC(=O)CCOc1cccnc1 1P01A94G [2,0,0,0,0,0|2,0,0]=4 252 B12R1.252 OC(=O)CCSc1ccccc1 1P00D9EP [2,0,0,0,0,0|1,0,0]=3 253 B12R1.252 OC(=O)CCSc1ccccn1 1P00D0ZH [2,0,0,0,0,0|2,0,0]=4 254 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8F [2,0,0,0,0,0|1,0,1]=4 255 B12R1.252 OC(=O)CNCc1ccccc1 1P003T8G [2,0,0,0,0,0|1,0,1]=4 256 B12R1.252 OC(=O)COCc1ccccc1 1P0030DV [2,0,0,0,0,0|1,0,1]=4 257 B12R1.252 OC(=O)CSCc1ccccc1 1P003CG9 [2,0,0,0,0,0|1,0,1]=4 258 B12R1.252 OC(=O)C\C=C\c1ccccc1 1P002FOF [2,0,0,0,0,0|0,0,1]=3 259 B12R1.252 [O-]C(=O)CCCc1ccccc1 1P00AP0B [2,0,0,0,0,0|0,0,2]=4 260 B12R1.267 O=CCCCc1ccccc1Br 1P01RCJ6 [2,0,0,0,0,0|1,0,1]=4 261 B12R1.308 C=CCC(=O)c1ccccc1F 1P01A2FB [2,0,0,0,0,0|1,0,1]=4 262 B12R1.308 CCCC(=O)c1ccccc1Cl 1P01DWP9 [2,0,0,0,0,0|1,0,1]=4 263 B12R1.308 CCCC(=O)c1ccccc1O 1P002XD6 [2,0,0,0,0,0|0,0,1]=3 264 B12R1.308 CCNC(=O)c1ccccc1O 1P00DDNV [2,0,0,0,0,0|1,0,1]=4 265 B12R1.308 CCOC(=O)c1ccccc1O 1P0033TD [2,0,0,0,0,0|1,0,1]=4 266 B12R1.308 ClCCC(=O)c1ccccc1F 1P00GTV0 [2,0,0,0,0,0|2,0,0]=4 267 B12R1.308 ClCCC(=O)c1ccccc1O 1P00I7LN [2,0,0,0,0,0|1,0,0]=3 268 B12R1.308 N#CCC(=O)c1ccccc1O 1P0085P9 [2,0,0,0,0,0|1,0,1]=4 269 B12R1.308 NCCC(=O)c1ccccc1N 1P0030GO [2,0,0,0,0,0|2,0,0]=4 270 B12R1.308 NCCC(=O)c1ccccc1N 1P01BAEY [2,0,0,0,0,0|2,0,0]=4 271 B14R1.149 NC(=O)CNC(=O)c1cccc(c1)N 1P019NF1 [1,1,0,0,0,0|2,0,0]=4 272 B14R1.149 NC(=O)CNC(=O)c1cccc(c1)O 1P01AJ1P [1,1,0,0,0,0|2,0,0]=4 273 B14R1.149 OC(=O)CCC(=O)c1cccc(c1)Br 1P00EGES [1,1,0,0,0,0|0,0,0]=2 274 B14R1.149 OC(=O)CCC(=O)c1cccc(c1)Cl 1P00E9AX [1,1,0,0,0,0|0,0,0]=2 275 B14R1.149 OC(=O)CCC(=O)c1cccc(c1)F 1P0067F6 [1,1,0,0,0,0|0,0,0]=2 276 B14R1.149 OC(=O)CCC(=O)c1cccc(c1)N 1P00VURC [1,1,0,0,0,0|0,0,0]=2 277 B14R1.149 OC(=O)CCC(c1cccc(c1)Cl)N 1P027L5W [1,1,0,0,0,0|1,0,1]=4 278 B14R1.149 OC(=O)CNC(=O)c1cc(Cl)ccn1 1P00G81L [1,1,0,0,0,0|2,0,0]=4 279 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)Br 1P00EWBH [1,1,0,0,0,0|1,0,0]=3 280 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)C 1P003K85 [1,1,0,0,0,0|1,0,0]=3 281 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)Cl 1P00EBD1 [1,1,0,0,0,0|1,0,0]=3 282 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)F 1P00CM44 [1,1,0,0,0,0|1,0,0]=3 283 B14R1.149 OC(=O)CNC(=O)c1cccc(c1)O 1P001USW [1,1,0,0,0,0|1,0,0]=3 284 B14R1.149 OC(=O)\C=C\C(=O)c1cccc(c1)Cl 1P028JGL [1,1,0,0,0,0|0,0,2]=4 285 B14R1.163 BrCC(=O)NCC(=O)c1ccccc1 1P01P49L [1,1,0,0,0,0|2,0,0]=4 286 B14R1.163 COC(=O)CCC(=O)c1ccccc1 1P003S7Z [1,1,0,0,0,0|0,0,0]=2 287 B14R1.163 COC(=O)CCC(c1ccccc1)N 1P01ABNG [1,1,0,0,0,0|1,0,1]=4 288 B14R1.163 COC(=O)CNC(=O)c1ccccc1 1P008Y2U [1,1,0,0,0,0|1,0,0]=3 289 B14R1.163 COC(=O)\C=C\C(=O)c1ccccc1 1P01G6OD [1,1,0,0,0,0|0,0,2]=4 290 B14R1.163 ClCC(=O)NCC(=O)c1ccccc1 1P01A9YR [1,1,0,0,0,0|2,0,0]=4 291 B14R1.163 ON=C(CNC(=O)c1ccccc1)N 1P019LHO [1,1,0,0,0,0|2,0,0]=4 292 B14R1.415 CC(C(=O)O)CC(=O)c1ccccc1 1P0025KN [1,1,0,0,0,0|0,0,0]=2 293 B14R1.415 CC(C(=O)O)NC(=O)c1ccccc1 1P003T7D [1,1,0,0,0,0|1,0,0]=3 294 B14R1.415 CC(C(=O)O)SC(=S)c1ccccc1 1P008MIX [1,1,0,0,0,0|1,1,0]=4 295 B14R1.415 CC(c1ccccc1)CC(C(=O)O)N 1P01FIUT [1,1,0,0,0,0|1,0,1]=4 296 B14R1.415 C[C@@H](C(=O)O)NC(=O)c1ccccc1 1P00BDPX [1,1,0,0,0,0|1,0,0]=3 297 B14R1.415 C[C@H](C(=O)O)NC(=O)c1ccccc1 1P0027N7 [1,1,0,0,0,0|1,0,0]=3 298 B14R1.415 C[C@H](C(=O)O)OC(=O)c1ccccc1 1P01X089 [1,1,0,0,0,0|1,0,0]=3 299 B14R1.415 NC(C(=O)O)CC(=O)c1ccccc1 1P00DKBR [1,1,0,0,0,0|0,0,0]=2 300 B14R1.415 NC(C(=O)O)CN(c1ccccc1)C 1P01EA24 [1,1,0,0,0,0|2,0,0]=4 301 B14R1.415 NC(C(=O)[O-])NC(=O)c1ccccc1 1P003URX [1,1,0,0,0,0|1,0,1]=4 302 B14R1.415 N[C@H](C(=O)O)CC(=O)c1ccccc1 1P01E34V [1,1,0,0,0,0|0,0,0]=2 303 B14R1.415 O=C(c1ccccc1)CC(=C)C(=O)O 1P01KLJC [1,1,0,0,0,0|0,0,1]=3 304 B14R1.415 O=C(c1ccccc1)CC(=O)C(=O)O 1P00ECFW [1,1,0,0,0,0|0,0,1]=3 305 B14R1.415 O=C(c1ccccc1)\C=C(\C(=O)O)/C 1P02836S [1,1,0,0,0,0|0,0,2]=4 306 B14R1.415 OC(=O)C(NC(=O)c1cccnc1)C 1P00D39R [1,1,0,0,0,0|2,0,0]=4 307 B14R1.415 OC(C(=O)O)NC(=O)c1ccccc1 1P001WON [1,1,0,0,0,0|1,0,0]=3 308 B14R1.417 BrC(C(=O)c1ccccc1)CC(=O)O 1P00DDC2 [1,1,0,0,0,0|0,0,0]=2 309 B14R1.417 CC(C(=O)c1ccccc1)CC(=O)O 1P00FKFL [1,1,0,0,0,0|0,0,0]=2 310 B14R1.417 CN(C(=O)c1ccccc1)CC(=O)O 1P00C2AG [1,1,0,0,0,0|1,0,0]=3 311 B14R1.417 O=C(O)\C=C(C)\C(C1=CC=CC=C1)=O 1P01KETP [1,1,0,0,0,0|0,0,2]=4 312 B14R1.417 OC(=O)CN(C(=O)c1ccccn1)C 1P000OYE [1,1,0,0,0,0|2,0,0]=4 313 B14R1.417 OC(C(=O)c1ccccc1)NC(=O)C 1P01ADHM [1,1,0,0,0,0|2,0,0]=4 314 B14R1.678 CC(c1ccc(cc1)Br)CCC(=O)O 1P01ELQC [1,1,0,0,0,0|1,0,1]=4 315 B14R1.678 CC1=CC=C(C=C1)C(CCC(=O)O)=C 1P01JJ9Q [1,1,0,0,0,0|1,0,0]=3 316 B14R1.678 CN(c1ccc(cc1)N)CCC(=O)O 1P028H5H [1,1,0,0,0,0|2,0,0]=4 317 B14R1.678 NC(=O)CNC(=O)c1ccc(cc1)N 1P00DNP7 [1,1,0,0,0,0|2,0,0]=4 318 B14R1.678 NC(c1ccc(cc1)C)CCC(=O)O 1P00230X [1,1,0,0,0,0|1,0,1]=4 319 B14R1.678 O=C(c1ccc(cc1)Br)CCC(=O)O 1P0033X3 [1,1,0,0,0,0|0,0,0]=2 320 B14R1.678 O=C(c1ccc(cc1)Br)COC(=O)C 1P005FGA [1,1,0,0,0,0|2,0,0]=4 321 B14R1.678 O=C(c1ccc(cc1)Br)NCC(=O)O 1P002H7T [1,1,0,0,0,0|1,0,0]=3 322 B14R1.678 O=C(c1ccc(cc1)Br)\C=C\C(=O)O 1P00JL1U [1,1,0,0,0,0|0,0,2]=4 323 B14R1.678 O=C(c1ccc(cc1)C)CCC(=O)O 1P003BQU [1,1,0,0,0,0|0,0,0]=2 324 B14R1.678 O=C(c1ccc(cc1)C)CCC(=O)O 1P00ABOX [1,1,0,0,0,0|0,0,0]=2 325 B14R1.678 O=C(c1ccc(cc1)C)NCC(=O)O 1P003M8P [1,1,0,0,0,0|1,0,0]=3 326 B14R1.678 O=C(c1ccc(cc1)C)\C=C\C(=O)O 1P002KUA [1,1,0,0,0,0|0,0,2]=4 327 B14R1.678 O=C(c1ccc(cc1)Cl)CCC(=O)O 1P003BQT [1,1,0,0,0,0|0,0,0]=2 328 B14R1.678 O=C(c1ccc(cc1)Cl)NCC(=O)O 1P0080F0 [1,1,0,0,0,0|1,0,0]=3 329 B14R1.678 O=C(c1ccc(cc1)Cl)\C=C\C(=O)O 1P002ZAU [1,1,0,0,0,0|0,0,2]=4 330 B14R1.678 O=C(c1ccc(cc1)F)CCC(=O)O 1P003IKZ [1,1,0,0,0,0|0,0,0]=2 331 B14R1.678 O=C(c1ccc(cc1)F)NCC(=O)O 1P00CWOW [1,1,0,0,0,0|1,0,0]=3 332 B14R1.678 O=C(c1ccc(cc1)F)\C=C\C(=O)O 1P007BC2 [1,1,0,0,0,0|0,0,2]=4 333 B14R1.678 O=C(c1ccc(cc1)I)CCC(=O)O 1P00755S [1,1,0,0,0,0|0,0,0]=2 334 B14R1.678 O=C(c1ccc(cc1)N)CCC(=O)O 1P00FJ80 [1,1,0,0,0,0|0,0,0]=2 335 B14R1.678 O=C(c1ccc(cc1)N)NCC(=O)O 1P00E9D9 [1,1,0,0,0,0|1,0,0]=3 336 B14R1.678 O=C(c1ccc(cc1)O)NCC(=O)N 1P01AJ30 [1,1,0,0,0,0|2,0,0]=4 337 B14R1.678 OC(=O)C=CC(=O)c1ccc(cc1)O 1P002Q3C [1,1,0,0,0,0|0,0,2]=4 338 B14R1.678 OC(=O)CCC(=O)c1ccc(=O)[nH]c1 1P01RQQ4 [1,1,0,0,0,0|1,0,0]=3 339 B14R1.678 OC(=O)CCC(=O)c1ccc(cc1)O 1P00EMHY [1,1,0,0,0,0|0,0,0]=2 340 B14R1.678 OC(=O)CCC(=O)c1ccc(cn1)Cl 1P01AD78 [1,1,0,0,0,0|1,0,0]=3 341 B14R1.678 OC(=O)CNC(=O)c1ccc(cc1)O 1P002Q0D [1,1,0,0,0,0|1,0,0]=3 342 B14R1.813 OC(=O)CCC(c1ccccc1)(C)C 1P00VSVK [1,1,0,0,0,0|1,0,1]=4 343 B14R1.813 OC(=O)CCC(c1ccccc1)(F)F 1P028OVJ [1,1,0,0,0,0|1,0,1]=4 344 B14R1.813 OC(=O)CCP(=O)(c1ccccc1)O 1P001EMK [1,1,0,0,0,0|1,0,0]=3 345 B14R1.813 OC(=O)CCS(=O)(=O)c1ccccc1 1P00057X [1,1,0,0,0,0|1,0,0]=3 346 B14R1.813 OC(=O)CNS(=O)(=O)c1ccccc1 1P00DO1U [1,1,0,0,0,0|2,0,0]=4 347 B14R1.3098 O=C(c1ccccc1)CCS(=O)(=O)F 1P028D3V [1,1,0,0,0,0|1,0,1]=4 348 B14R1.96 CCc1ccccc1OCCC(=O)O 1P01BAHT [1,1,0,0,0,0|2,0,0]=4 349 B14R1.96 COc1ccccc1CCCC(=O)O 1P00D1KD [1,1,0,0,0,0|0,0,1]=3 350 B14R1.96 COc1ccccc1COCC(=O)O 1P01BX35 [1,1,0,0,0,0|1,0,1]=4 351 B14R1.96 COc1ccccc1NCCC(=O)N 1P019PCB [1,1,0,0,0,0|2,0,0]=4 352 B14R1.96 COc1ccccc1NCCC(=O)O 1P00CJOX [1,1,0,0,0,0|1,0,0]=3 353 B14R1.96 COc1ccccc1OCCC(=O)O 1P00BG2S [1,1,0,0,0,0|1,0,0]=3 354 B14R1.96 O=Cc1ccccc1OCCC(=O)O 1P01A8LV [1,1,0,0,0,0|1,0,1]=4 355 B14R1.154 Cc1c(OCCC(=O)O)cccc1C 1P019M3E [1,1,0,0,0,0|2,0,0]=4 356 B14R1.154 OC(=O)CCOc1cccc(c1Cl)Cl 1P019VO6 [1,1,0,0,0,0|2,0,0]=4 357 B14R1.161 OC(=O)C(CCc1ccccc1Cl)N 1P000NSH [1,1,0,0,0,0|1,0,1]=4 358 B14R1.161 OC(=O)C(CCc1ccccc1F)C 1P01AJPX [1,1,0,0,0,0|1,0,1]=4 359 B14R1.161 OC(=O)C(CCc1ccccc1O)N 1P01DV2K [1,1,0,0,0,0|0,0,1]=3 360 B14R1.161 OC(=O)C(COc1ccccc1C)O 1P002S62 [1,1,0,0,0,0|2,0,0]=4 361 B14R1.161 OC(=O)[C@@H](CCc1ccccc1C)N 1P01JN9N [1,1,0,0,0,0|1,0,1]=4 362 B14R1.161 OC(=O)[C@H](CCc1ccccc1C)N 1P01JN9G [1,1,0,0,0,0|1,0,1]=4 363 B14R1.161 OC(=O)[C@H](CCc1ccccc1Cl)N 1P01JNA0 [1,1,0,0,0,0|1,0,1]=4 364 B14R1.161 OC(=O)[C@H](CCc1ccccc1F)N 1P01JN77 [1,1,0,0,0,0|1,0,1]=4 365 B14R1.337 N[C@@H](Cc1ccccc1Br)CC(=O)O 1P00I8DO [1,1,0,0,0,0|1,0,1]=4 366 B14R1.337 N[C@@H](Cc1ccccc1C)CC(=O)O 1P00BG46 [1,1,0,0,0,0|1,0,1]=4 367 B14R1.337 N[C@@H](Cc1ccccc1F)CC(=O)O 1P002PHM [1,1,0,0,0,0|1,0,1]=4 368 B14R1.337 N[C@H](Cc1ccccc1Br)CC(=O)O 1P00I8CQ [1,1,0,0,0,0|1,0,1]=4 369 B14R1.337 N[C@H](Cc1ccccc1C)CC(=O)O 1P00I5KB [1,1,0,0,0,0|1,0,1]=4 370 B14R1.337 N[C@H](Cc1ccccc1Cl)CC(=O)O 1P003CQ8 [1,1,0,0,0,0|1,0,1]=4 371 B14R1.337 N[C@H](Cc1ccccc1F)CC(=O)O 1P00I6WE [1,1,0,0,0,0|1,0,1]=4 372 B14R1.337 O=C(Nc1ccccc1O)CC(=O)O 1P002LMP [1,1,0,0,0,0|1,0,1]=4 373 B14R1.837 COC(=O)CCCc1ccccc1O 1P01FT19 [1,1,0,0,0,0|0,0,1]=3 374 B14R1.837 COC(=O)CCNc1ccccc1C 1P01ACA7 [1,1,0,0,0,0|2,0,0]=4 375 B14R1.837 COC(=O)CCOc1ccccc1N 1P019SJH [1,1,0,0,0,0|2,0,0]=4 376 B14R1.4464 OC(=O)CCCc1ccc(cc1Cl)Cl 1P01JMMG [1,1,0,0,0,0|1,0,1]=4 377 B14R1.4464 OC(=O)CCNc1ccc(cc1C)C 1P01E6N7 [1,1,0,0,0,0|2,0,0]=4 378 B14R1.4464 OC(=O)CCOc1ccc(cc1Br)C 1P019XCS [1,1,0,0,0,0|2,0,0]=4 379 B14R1.4464 OC(=O)CCOc1ccc(cc1Br)Cl 1P019XCN [1,1,0,0,0,0|2,0,0]=4 380 B14R1.4464 OC(=O)CCOc1ccc(cc1C)C 1P019LZD [1,1,0,0,0,0|2,0,0]=4 381 B14R1.4464 OC(=O)CCOc1ccc(cc1Cl)C 1P01C86U [1,1,0,0,0,0|2,0,0]=4 382 B14R1.4464 OC(=O)CCOc1ccc(cc1Cl)Cl 1P019VO3 [1,1,0,0,0,0|2,0,0]=4 383 B14R1.4464 OC(=O)CCOc1ccc(cc1Cl)F 1P019VLK [1,1,0,0,0,0|2,0,0]=4 384 B14R1.4464 OC(=O)CCOc1ccc(cc1F)Br 1P01ALBC [1,1,0,0,0,0|2,0,0]=4 385 B14R1.4464 OC(=O)CCOc1ccc(cc1F)F 1P005GIR [1,1,0,0,0,0|2,0,0]=4 386 B14R1.4920 OC(=O)CCCc1c(F)cccc1F 1P01B2WE [1,1,0,0,0,0|1,0,1]=4 387 B14R1.4920 OC(=O)CCOc1c(C)cccc1C 1P019MSO [1,1,0,0,0,0|2,0,0]=4 388 B14R1.4920 OC(=O)CCOc1c(F)cccc1Cl 1P01DW3L [1,1,0,0,0,0|2,0,0]=4 389 B14R1.6072 Cc1cc(SCCC(=O)O)c(cc1)N 1P01AC11 [1,1,0,0,0,0|2,0,0]=4 390 B14R1.6072 Cc1ccc(cc1CCCC(=O)O)C 1P001L8P [1,1,0,0,0,0|1,0,1]=4 391 B14R1.6072 Cc1ccc(cc1OCCC(=O)O)C 1P00DIWA [1,1,0,0,0,0|2,0,0]=4 392 B14R1.6072 OC(=O)CCCc1cc(F)ccc1F 1P01A3K6 [1,1,0,0,0,0|1,0,1]=4 393 B14R1.6072 OC(=O)CCCc1cc(O)ccc1C 1P028JSM [1,1,0,0,0,0|1,0,1]=4 394 B14R1.6072 OC(=O)CCOc1cc(Cl)ccc1Cl 1P019VLL [1,1,0,0,0,0|2,0,0]=4 395 B14R1.6072 OC(=O)CCOc1cc(F)ccc1F 1P01A6SH [1,1,0,0,0,0|2,0,0]=4 396 B14R1.6072 OC(=O)CCSc1cc(F)ccc1F 1P01AHSW [1,1,0,0,0,0|2,0,0]=4 397 B14R1.587 OC[C@@H](NC(=O)c1ccccc1O)C 1P01EMZA [1,1,0,0,0,0|1,0,1]=4 398 B14R1.918 Oc1ccc(cc1C(=O)CCCCl)F 1P01A32S [1,1,0,0,0,0|1,0,1]=4 399 B14R1.939 N#CCCC(=O)c1ccccc1OC 1P0009C7 [1,1,0,0,0,0|1,0,1]=4 400 B14R1.1035 CCCCOC(=O)c1ccccc1O 1P002AEK [1,1,0,0,0,0|1,0,1]=4 401 B14R1.2523 C=CCNC(=O)c1ccc(cc1O)N 1P01DX19 [1,1,0,0,0,0|2,0,0]=4 402 B14R1.2523 CCCCC(=O)c1ccc(cc1O)C 1P00ARL2 [1,1,0,0,0,0|1,0,1]=4 403 B14R1.2523 OCCNC(=O)c1ccc(cc1O)O 1P003G9Y [1,1,0,0,0,0|1,0,1]=4 404 B14R1.4354 Cc1sc(cc1C(=O)CCC(=O)O)C 1P00ECZV [0,1,0,0,1,0|2,0,0]=4 405 B14R1.4354 OC(=O)CCC(=O)c1cc(sc1Cl)Cl 1P019YXJ [0,1,0,0,1,0|2,0,0]=4 406 B14R1.840 COc1ccccc1C(=CC(=O)O)C 1P01AAEL [0,1,0,0,1,0|1,0,1]=4 407 B14R1.840 COc1ccccc1C(=O)CC(=O)C 1P00F0JO [0,1,0,0,1,0|1,0,0]=3 408 B14R1.840 COc1ccccc1C(CC(=O)O)C 1P01AB26 [0,1,0,0,1,0|1,0,1]=4 409 B14R1.840 COc1ccccc1C(CC(=O)O)N 1P008RSQ [0,1,0,0,1,0|1,0,1]=4 410 B14R1.840 COc1ccccc1[C@H](CC(=O)O)N 1P005NRS [0,1,0,0,1,0|1,0,1]=4 411 B14R1.5805 OC(=O)CS(=O)(=O)c1ccccc1C 1P01DW0J [0,1,0,0,1,0|2,0,0]=4 412 B14R1.5805 OC(=O)CS(=O)(=O)c1ccccc1Cl 1P01DX5G [0,1,0,0,1,0|2,0,0]=4 413 B14R1.5805 OC(=O)CS(=O)(=O)c1ccccc1F 1P01DVGP [0,1,0,0,1,0|2,0,0]=4 414 B14R1.5958 CC(=O)CC(=O)c1c(F)cccc1Cl 1P02927U [0,1,0,0,1,0|2,0,0]=4 415 B14R1.5958 O=C(c1c(F)cccc1F)CC(=O)C 1P0287FP [0,1,0,0,1,0|2,0,0]=4 416 B14R1.6048 OC(=O)CC(c1ccc(cc1O)O)N 1P003JBD [0,1,0,0,1,0|1,0,1]=4 417 B14R1.6474 NCC(c1ccccc1O)CC(=O)O 1P024SFK [0,1,0,0,1,0|1,0,1]=4 418 B16R1.1369 CCc1ccccc1NC(=O)CCC(=O)O 1P00C6KR [0,1,0,0,0,1|1,0,0]=3 419 B16R1.1369 CSc1ccccc1NC(=O)CCC(=O)O 1P00GU7L [0,1,0,0,0,1|0,1,0]=3 420 B16R1.7488 Cc1cc(NC(=O)CCC(=O)O)c(cc1)F 1P006E9B [0,1,0,0,0,1|1,0,0]=3 421 B16R1.7488 Cc1cc(NC(=O)NCC(=O)O)c(cc1)N 1P028MOG [0,1,0,0,0,1|2,0,0]=4 422 B16R1.11232 O=C(Nc1c(C)cccc1C)CCC(=O)O 1P00C3W6 [0,1,0,0,0,1|1,0,0]=3 423 B16R1.11232 O=C(Nc1c(F)cccc1F)CCC(=O)O 1P01B4X8 [0,1,0,0,0,1|1,0,0]=3 424 B16R1.11390 O=C(Nc1ccc(cc1F)Cl)CCC(=O)O 1P006POM [0,1,0,0,0,1|1,0,0]=3 425 B16R1.7436 OC(=O)CCNS(=O)(=O)c1ccccc1Br 1P019KFS [0,1,0,0,0,1|2,0,0]=4 426 B16R1.7436 OC(=O)CCNS(=O)(=O)c1ccccc1Cl 1P019KF0 [0,1,0,0,0,1|2,0,0]=4 427 B16R1.7436 OC(=O)CCNS(=O)(=O)c1ccccc1F 1P019I3H [0,1,0,0,0,1|2,0,0]=4 428 B16R1.7492 OC(=O)CCNC(=O)c1cc(F)ccc1Br 1P019VTT [0,1,0,0,0,1|1,0,0]=3 429 B16R1.11442 OC(=O)CCNC(=O)c1ccc(cc1Cl)F 1P019UV9 [0,1,0,0,0,1|1,0,0]=3 430 B16R1.11442 OC(=O)CCNC(=O)c1ccc(cc1F)F 1P019PKA [0,1,0,0,0,1|1,0,0]=3 431 B16R1.11442 OC(=O)CCNC(=O)c1ccc(cc1O)C 1P01A9TR [0,1,0,0,0,1|0,0,0]=2 432 B16R1.18704 COc1ccccc1C(=O)NCCC(=O)O 1P019JHS [0,1,0,0,0,1|0,0,0]=2 433 B16R1.697 CCOc1ccccc1C(=O)NCC(=O)O 1P0008G9 [0,2,0,0,0,0|1,0,0]=3 434 B16R1.4361 COc1ccc(cc1C(=O)CCC(=O)O)Br 1P019IC5 [0,2,0,0,0,0|0,0,0]=2 435 B16R1.4361 COc1ccc(cc1C(=O)CCC(=O)O)C 1P00D9TW [0,2,0,0,0,0|0,0,0]=2 436 B16R1.5566 COc1ccccc1C(=O)N[C@@H](C(=O)O)C 1P027U6J [0,2,0,0,0,0|1,0,0]=3 437 B16R1.5566 COc1ccccc1C(=O)N[C@H](C(=O)O)C 1P01EKVP [0,2,0,0,0,0|1,0,0]=3 438 B16R1.5567 ClCC(=O)NCC(=O)c1ccccc1OC 1P028MJC [0,2,0,0,0,0|2,0,0]=4 439 B16R1.11263 CC(C(=O)O)NC(=O)c1cccc(c1Cl)Cl 1P019UZ6 [0,2,0,0,0,0|2,0,0]=4 440 B16R1.11263 C[C@H](C(=O)O)NC(=O)c1cccc(c1I)C 1P01B8NU [0,2,0,0,0,0|2,0,0]=4 441 B16R1.11263 OC(=O)C(CC(=O)c1cccc(c1N)O)N 1P006XA6 [0,2,0,0,0,0|1,0,0]=3 442 B16R1.11399 CN(C(=O)c1cc(Br)ccc1C)CC(=O)O 1P01BC7D [0,2,0,0,0,0|2,0,0]=4 443 B16R1.16904 COC(=O)C(=O)CC(=O)c1ccccc1Br 1P0096G6 [0,2,0,0,0,0|1,0,1]=4 444 B16R1.16904 COC(=O)C(=O)CC(=O)c1ccccc1C 1P008XSD [0,2,0,0,0,0|1,0,1]=4 445 B16R1.16904 COC(=O)C(=O)CC(=O)c1ccccc1Cl 1P00DJGD [0,2,0,0,0,0|1,0,1]=4 446 B16R1.16904 COC(=O)C(=O)CC(=O)c1ccccc1F 1P00ED54 [0,2,0,0,0,0|1,0,1]=4 447 B16R1.16904 COC(=O)C(=O)CC(=O)c1ccccc1O 1P019DOJ [0,2,0,0,0,0|0,0,1]=3 448 B16R1.5624 CCOC(=O)CCC(=O)c1ccccc1Br 1P00GZM4 [0,2,0,0,0,0|1,0,0]=3 449 B16R1.40160 COC(=O)CCC(=O)c1ccc(cc1C)C 1P01FB02 [0,2,0,0,0,0|1,0,0]=3 450 B16R1.5638 COc1ccc(c(c1)Cl)C(=O)CCC(=O)O 1P01A5G8 [0,2,0,0,0,0|1,0,0]=3 451 B16R1.11345 Cc1cc(Br)c(cc1C(=O)CCC(=O)O)C 1P00I63H [0,2,0,0,0,0|1,0,0]=3 452 B16R1.11345 Cc1cc(O)c(cc1Br)C(=O)CCC(=O)O 1P01FJ03 [0,2,0,0,0,0|0,0,0]=2 453 B16R1.40243 OC(=O)CCS(=O)(=O)c1cc(Cl)ccc1Cl 1P00JCX8 [0,2,0,0,0,0|2,0,0]=4 454 B14R1.423 O=C(Cc1ccccc1)CCC(=O)O 1P01E4LI [0,0,1,1,0,0|1,0,1]=4 455 B14R1.423 O=C(Nc1ccccc1)CCC(=O)O 1P0006OP [0,0,1,1,0,0|2,0,0]=4 456 B14R1.423 O=C(Nc1ccccn1)CCC(=O)O 1P00EFXN [0,0,1,1,0,0|2,0,0]=4 457 B14R1.4526 OC(=O)CNC(=O)C=Cc1ccco1 1P00BSX1 [0,0,1,1,0,0|1,0,0]=3 458 B14R1.4450 OC(=O)Cn1cccc(c1=O)C(=O)O 1P00HVKZ [0,0,1,1,0,0|2,0,0]=4 459 B14R1.4522 OC(=O)CCc1ccccc1C(=O)O 1P003IH3 [0,0,1,1,0,0|2,0,0]=4 460 B14R2.68 O=C1CCC(=NN1)c2ccccc2 1P00048E [1,0,0,1,0,0|2,0,0]=4 461 B14R2.287 O=C1CCC(=O)c2c(N1)cccc2 1P001VPO [1,0,0,1,0,0|1,0,0]=3 462 B14R2.287 O=C1CCC(=O)c2c(N1)cccn2 1P005RDQ [1,0,0,1,0,0|2,0,0]=4 463 B14R2.287 O=C1CNC(=O)c2c(N1)cccc2 1P00I9MJ [1,0,0,1,0,0|2,0,0]=4 464 B14R2.422 O=C(c1ccccc1)C2CC(=C)C2 1P0288DB [1,0,0,1,0,0|2,0,0]=4 465 B14R2.779 OC(=O)C1CC(C1)c2ccccc2 1P00FI3I [1,0,0,1,0,0|1,0,1]=4 466 B14R2.779 OC(=O)[C@@H]1C[C@@H](C1)c2ccccc2 1P01EKPS [1,0,0,1,0,0|1,0,1]=4 467 B14R2.779 OC(=O)[C@@H]1C[C@H](C1)c2ccccc2 1P01XAH6 [1,0,0,1,0,0|1,0,1]=4 468 B14R2.9520 OC(=O)C1CC1(C)c2ccccc2 1P01AC8Q [1,0,0,1,0,0|1,0,1]=4 469 B14R2.9520 OC(=O)C1CC1(F)c2ccccc2 1P00H1O1 [1,0,0,1,0,0|1,0,1]=4 470 B14R2.25733 CC(=O)N1CC(=O)c2c1cccc2 1P0038G5 [1,0,0,1,0,0|2,0,0]=4 471 B14R2.25733 OC(=O)C1CC(=O)c2c1cccc2 1P002YTM [1,0,0,1,0,0|0,0,0]=2 472 B14R2.25733 OC(=O)C1NC(=O)c2c1cccc2 1P0029HL [1,0,0,1,0,0|1,0,0]=3 473 B14R2.25733 OC(=O)C1OC(=O)c2c1cccc2 1P00FEYA [1,0,0,1,0,0|1,0,0]=3 474 B14R2.25733 OC(=O)[C@@H]1CC(=O)c2c1cccc2 1P01DX5A [1,0,0,1,0,0|0,0,0]=2 475 B14R2.25733 OC(=O)[C@H]1C[C@H](c2c1cccc2)N 1P027Q11 [1,0,0,1,0,0|1,0,1]=4 476 B14R2.25733 OC(=O)[C@H]1C[C@H](c2c1cccc2)O 1P028POZ [1,0,0,1,0,0|0,0,2]=4 477 B14R2.29285 O=C1CCS(=O)(=O)c2c1cccc2 1P00B0WV [1,0,0,1,0,0|1,0,1]=4 478 B14R2.768 OC(=O)CC1=Cc2c(C1)cccc2 1P01I7UB [1,0,0,1,0,0|1,0,1]=4 479 B14R2.768 OC(=O)CC1Cc2c(C1)cccc2 1P00BYZ9 [1,0,0,1,0,0|1,0,1]=4 480 B14R2.768 OC(=O)CC1Cc2c(N1)cccc2 1P02811E [1,0,0,1,0,0|1,0,1]=4 481 B14R2.768 OC(=O)CC1Cc2c(O1)cccc2 1P00ELBK [1,0,0,1,0,0|0,0,1]=3 482 B14R2.768 OC(=O)C[C@@H]1Cc2c(N1)cccc2 1P028K8X [1,0,0,1,0,0|1,0,1]=4 483 B14R2.768 OC(=O)C[C@H]1Cc2c(N1)cccc2 1P028K05 [1,0,0,1,0,0|1,0,1]=4 484 B14R2.768 OC(=O)Cc1cc2c([nH]1)cccc2 1P00BYBV [1,0,0,1,0,0|1,0,1]=4 485 B14R2.768 OC(=O)Cc1cc2c(s1)cccc2 1P005AB2 [1,0,0,1,0,0|0,1,1]=4 486 B14R2.768 OC(=O)Cc1nc2c(o1)cccc2 1P005JVN [1,0,0,1,0,0|1,0,1]=4 487 B14R2.768 OC(=O)Cn1cc2c(n1)cccc2 1P00EAFG [1,0,0,1,0,0|2,0,0]=4 488 B14R2.781 CC(=O)C1CCc2c(O1)cccc2 1P027UGP [1,0,0,1,0,0|1,0,1]=4 489 B14R2.781 CC(=O)C1COc2c(O1)cccc2 1P00048C [1,0,0,1,0,0|2,0,0]=4 490 B14R2.781 NC(=O)C1CNc2c(O1)cccc2 1P009BLW [1,0,0,1,0,0|2,0,0]=4 491 B14R2.781 NC(=O)C1COc2c(O1)cccc2 1P00CV1N [1,0,0,1,0,0|2,0,0]=4 492 B14R2.781 OC(=O)C1CCc2c(C1)cccc2 1P003DQQ [1,0,0,1,0,0|1,0,1]=4 493 B14R2.781 OC(=O)C1CCc2c(N1)cccc2 1P00D8UA [1,0,0,1,0,0|1,0,1]=4 494 B14R2.781 OC(=O)C1CCc2c(N1)cccc2 1P00GGJE [1,0,0,1,0,0|1,0,1]=4 495 B14R2.781 OC(=O)C1CCc2c(O1)cccc2 1P0037SX [1,0,0,1,0,0|0,0,1]=3 496 B14R2.781 OC(=O)C1CNc2c(C1)cccc2 1P000F3E [1,0,0,1,0,0|2,0,0]=4 497 B14R2.781 OC(=O)C1CNc2c(C1)cccc2 1P0092TK [1,0,0,1,0,0|2,0,0]=4 498 B14R2.781 OC(=O)C1CNc2c(O1)cccc2 1P006CWO [1,0,0,1,0,0|1,0,0]=3 499 B14R2.781 OC(=O)C1CNc2c(O1)cccc2 1P01EM3Y [1,0,0,1,0,0|1,0,0]=3 500 B14R2.781 OC(=O)C1COc2c(C1)cccc2 1P000HDE [1,0,0,1,0,0|2,0,0]=4 501 B14R2.781 OC(=O)C1COc2c(O1)cccc2 1P003E32 [1,0,0,1,0,0|1,0,0]=3 502 B14R2.781 OC(=O)C1CSc2c(O1)cccc2 1P01A89I [1,0,0,1,0,0|1,0,0]=3 503 B14R2.781 OC(=O)[C@@H]1CCc2c(N1)cccc2 1P00EB64 [1,0,0,1,0,0|1,0,1]=4 504 B14R2.781 OC(=O)[C@@H]1COc2c(C1)cccc2 1P00HJ9X [1,0,0,1,0,0|2,0,0]=4 505 B14R2.781 OC(=O)[C@@H]1COc2c(O1)cccc2 1P0063BV [1,0,0,1,0,0|1,0,0]=3 506 B14R2.781 OC(=O)[C@H]1CCc2c(N1)cccc2 1P005LKG [1,0,0,1,0,0|1,0,1]=4 507 B14R2.781 OC(=O)[C@H]1CCc2c(O1)cccc2 1P00G89A [1,0,0,1,0,0|0,0,1]=3 508 B14R2.781 OC(=O)[C@H]1COc2c(O1)cccc2 1P0032V1 [1,0,0,1,0,0|1,0,0]=3 509 B14R2.5443 OC(=O)C1CC1c2ccccc2Br 1P00GAEW [1,0,0,1,0,0|1,0,1]=4 510 B14R2.5443 OC(=O)C1CC1c2ccccc2C 1P00FGR6 [1,0,0,1,0,0|1,0,1]=4 511 B14R2.5443 OC(=O)C1CC1c2ccccc2Cl 1P003F84 [1,0,0,1,0,0|1,0,1]=4 512 B14R2.5443 OC(=O)C1CC1c2ccccc2F 1P003F8F [1,0,0,1,0,0|1,0,1]=4 513 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2Cl 1P01C1V8 [1,0,0,1,0,0|1,0,1]=4 514 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2F 1P01DXZW [1,0,0,1,0,0|1,0,1]=4 515 B14R2.5443 OC(=O)[C@@H]1C[C@H]1c2ccccc2O 1P027ZKW [1,0,0,1,0,0|0,0,1]=3 516 B14R2.5443 OC(=O)[C@H]1C[C@@H]1c2ccccc2Br 1P01DXV4 [1,0,0,1,0,0|1,0,1]=4 517 B14R2.8032 Cc1cccc2c1NCC2C(=O)O 1P027UNV [1,0,0,1,0,0|2,0,0]=4 518 B14R2.8032 Cc1cccc2c1OCC2C(=O)O 1P01DRR0 [1,0,0,1,0,0|2,0,0]=4 519 B14R2.8032 OC(=O)C1CCc2c1cccc2Br 1P00FM77 [1,0,0,1,0,0|1,0,1]=4 520 B14R2.8032 OC(=O)C1CCc2c1cccc2Cl 1P00FLUB [1,0,0,1,0,0|1,0,1]=4 521 B14R2.8032 OC(=O)C1CCc2c1cccc2F 1P027YGD [1,0,0,1,0,0|1,0,1]=4 522 B14R2.8032 OC(=O)C1COc2c1cccc2F 1P01DRR4 [1,0,0,1,0,0|2,0,0]=4 523 B14R2.28454 O=C1CCCc2c(C1)cccc2O 1P028G8E [1,0,0,1,0,0|1,0,1]=4 524 B14R2.28454 O=C1CCCc2c(N1)cccc2O 1P005H2P [1,0,0,1,0,0|1,0,1]=4 525 B14R2.1019 NCC1CC(=O)c2c(O1)cccc2 1P01BSOB [1,0,0,1,0,0|1,0,1]=4 526 B14R2.8051 O=C1C=CC(=O)c2c1c(O)ccc2 1P0034QV [1,0,0,1,0,0|0,0,2]=4 527 B14R2.8864 O=C1CCCOc2c1c(F)ccc2 1P028HT6 [1,0,0,1,0,0|1,0,1]=4 528 B14R2.2 CC(=O)Cc1coc2c1cccc2 1P01AVDB [0,0,0,1,1,0|2,0,0]=4 529 B14R2.2 NC(=O)Cc1noc2c1cccc2 1P002MAQ [0,0,0,1,1,0|2,0,0]=4 530 B14R2.2 OC(=O)CC1COc2c1cccc2 1P00GD01 [0,0,0,1,1,0|1,0,1]=4 531 B14R2.2 OC(=O)Cc1c[nH]c2c1cccc2 1P003K1R [0,0,0,1,1,0|2,0,0]=4 532 B14R2.2 OC(=O)Cc1coc2c1cccc2 1P00EDE0 [0,0,0,1,1,0|1,0,0]=3 533 B14R2.2 OC(=O)Cc1csc2c1cccc2 1P003CG5 [0,0,0,1,1,0|1,1,0]=4 534 B14R2.2 OC(=O)Cc1n[nH]c2c1cccc2 1P003867 [0,0,0,1,1,0|2,0,0]=4 535 B14R2.2 OC(=O)Cc1noc2c1cccc2 1P006WSP [0,0,0,1,1,0|1,0,0]=3 536 B14R2.2 OC(=O)Cc1noc2c1nccc2 1P024XPE [0,0,0,1,1,0|2,0,0]=4 537 B14R2.2 OC(=O)Cc1nsc2c1cccc2 1P002YDO [0,0,0,1,1,0|1,1,0]=4 538 B14R2.2 OC(=O)Cc1occ2c1cccc2 1P00EGL2 [0,0,0,1,1,0|1,0,1]=4 539 B14R2.2 OC(=O)Cc1snc2c1cccc2 1P0280G7 [0,0,0,1,1,0|1,1,0]=4 540 B14R2.52 O=C1COc2c(C(=O)C1)cccc2 1P00EP8I [0,0,0,1,1,0|1,0,0]=3 541 B14R2.52 O=C1COc2c(C(=O)N1)cccc2 1P001H09 [0,0,0,1,1,0|2,0,0]=4 542 B14R2.450 OC(=O)C1Oc2c(C1C)cccc2 1P002MDI [0,0,0,1,1,0|1,0,1]=4 543 B14R2.450 OC(=O)[C@@H]1Oc2c([C@@H]1C)cccc2 1P0287EP [0,0,0,1,1,0|1,0,1]=4 544 B14R2.450 OC(=O)c1oc2c(c1Br)cccc2 1P00I7ZV [0,0,0,1,1,0|1,0,1]=4 545 B14R2.450 OC(=O)c1oc2c(c1C)cccc2 1P002PH9 [0,0,0,1,1,0|1,0,1]=4 546 B14R2.450 OC(=O)c1oc2c(c1Cl)cccc2 1P00IE6R [0,0,0,1,1,0|1,0,1]=4 547 B14R2.28480 Cc1cccc2c1C(=O)CC(=O)O2 1P0289Z7 [0,0,0,1,1,0|1,0,0]=3 548 B16R2.477 OC(=O)CCc1ccc2c(c1)cccc2 1P003IHX [0,0,0,1,0,1|2,0,0]=4 549 B16R2.477 OC(=O)CCc1ccc2c(n1)cccc2 1P00CN6D [0,0,0,1,0,1|2,0,0]=4 550 B16R2.477 OC(=O)CCc1cnc2c(c1)cccc2 1P0063VQ [0,0,0,1,0,1|2,0,0]=4 551 B16R2.3989 OC(=O)CC1Oc2ccccc2NC1=O 1P0083X2 [0,0,0,1,0,1|0,0,0]=2 552 B16R2.3989 OC(=O)CC1Sc2ccccc2NC1=O 1P003C9L [0,0,0,1,0,1|0,1,0]=3 553 B16R2.3989 OC(=O)CN1Cc2ccccc2OC1=O 1P00BWB3 [0,0,0,1,0,1|2,0,0]=4 554 B16R2.3989 OC(=O)Cc1cc2ccccc2[nH]c1=O 1P019NHZ [0,0,0,1,0,1|1,0,1]=4 555 B16R2.3989 OC(=O)Cc1cc2ccccc2oc1=O 1P00BF67 [0,0,0,1,0,1|1,0,1]=4 556 B16R2.22630 OC(=O)CCc1nc2c([nH]1)c(Cl)ccc2 1P01E8YW [0,0,0,1,0,1|2,0,0]=4 557 B16R2.22630 OC(=O)CCc1nc2c([nH]1)cccc2C 1P01E8YV [0,0,0,1,0,1|2,0,0]=4 558 B16R2.22630 OC(=O)CCc1nc2c([nH]1)cccc2F 1P01E8YX [0,0,0,1,0,1|2,0,0]=4 559 B16R2.22891 O=c1cc(C(=O)O)c2c(o1)c(O)ccc2 1P01Q4PO [0,0,0,1,0,1|0,0,2]=4 560 B16R2.22891 OC(=O)c1cc(=O)[nH]c2c1cccc2O 1P0030XW [0,0,0,1,0,1|0,0,2]=4 561 B16R2.93202 Cc1cccc2c1NC(=O)C2CC(=O)O 1P005WXK [0,0,0,1,0,1|1,0,0]=3 562 B16R2.93202 OC(=O)CC1C(=O)Nc2c1cccc2Br 1P01BTWW [0,0,0,1,0,1|1,0,0]=3 563 B16R2.93202 OC(=O)CC1C(=O)Nc2c1cccc2F 1P01BTWY [0,0,0,1,0,1|1,0,0]=3 564 B16R2.36 OC(=O)CCCc1c[nH]c2c1cccc2 1P0035HI [0,0,0,1,0,1|2,0,0]=4 565 B16R2.36 OC(=O)CCCc1csc2c1cccc2 1P019ZUX [0,0,0,1,0,1|1,1,0]=4 566 B16R2.3270 OC(=O)[C@@H]1CSC(N1)c2ccccc2O 1P01B6CY [0,0,0,1,0,1|1,0,1]=4 567 B16R2.3270 OC(=O)[C@H]1CSC(=N1)c2ccccc2O 1P009XQA [0,0,0,1,0,1|1,0,0]=3 568 B16R2.3356 OC(=O)CCN1Cc2c(C1=O)cccc2 1P004XHP [0,0,0,1,0,1|1,0,0]=3 569 B16R2.3356 OC(=O)CCn1nc2n(c1=O)cccc2 1P00E3D0 [0,0,0,1,0,1|2,0,0]=4 570 B16R2.3356 OC(=O)CCn1sc2c(c1=O)cccc2 1P003Y7Y [0,0,0,1,0,1|0,1,0]=3 571 B16R2.24933 OC(=O)CC1CC(=O)c2c(C1)cccc2 1P028UGG [0,0,0,1,0,1|1,0,0]=3 572 B16R2.24933 OC(=O)Cc1cc2ccccc2c(=O)[nH]1 1P01C1WJ [0,0,0,1,0,1|1,0,1]=4 573 B16R2.24933 OC(=O)Cc1cc2ccccc2c(=O)o1 1P01B6XR [0,0,0,1,0,1|1,0,1]=4 574 B16R2.81677 CC(=O)N1CCC(=O)c2c(C1)cccc2 1P01A5MV [0,0,0,1,0,1|2,0,0]=4 575 B16R2.7861 COc1ccccc1C2(C)CC2C(=O)O 1P01AL6N [0,1,0,1,0,0|1,0,1]=4 576 B16R2.16183 OC(=O)CN1C(=C)c2c(C1=O)cccc2 1P00F5R3 [0,1,0,1,0,0|2,0,0]=4 577 B16R2.16183 OC(=O)CN1C(=O)c2c(C1=O)cccc2 1P003TS6 [0,1,0,1,0,0|1,0,1]=4 578 B16R2.83538 OC(=O)CC1CCc2c(C1=O)cccc2 1P01DJQ7 [0,1,0,1,0,0|1,0,0]=3 579 B16R2.83538 OC(=O)CN1CCc2c(C1=O)cccc2 1P01BGHQ [0,1,0,1,0,0|2,0,0]=4 580 B16R2.83538 OC(=O)Cn1ccc2c(c1=O)cccc2 1P00EL0I [0,1,0,1,0,0|2,0,0]=4 581 B16R2.83538 OC(=O)Cn1cnc2c(c1=O)cccc2 1P007JJN [0,1,0,1,0,0|2,0,0]=4 582 B16R2.83538 OC(=O)Cn1cnc2c(c1=O)cccc2 1P00J1E9 [0,1,0,1,0,0|2,0,0]=4 583 B16R2.83538 OC(=O)Cn1ncc2c(c1=O)cccc2 1P006NR4 [0,1,0,1,0,0|2,0,0]=4 584 B16R2.83538 OC(=O)Cn1nnc2c(c1=O)cccc2 1P005ZBJ [0,1,0,1,0,0|2,0,0]=4 585 B16R2.104522 OC(=O)CCc1cn(c2c1cccc2)C 1P00G3HA [0,1,0,1,0,0|2,0,0]=4 586 B16R2.179941 OC(=O)CCc1cccc2c1cccc2 1P007GM0 [0,1,0,1,0,0|2,0,0]=4 587 B16R2.179941 OC(=O)CCc1ccnc2c1cccc2 1P0063VP [0,1,0,1,0,0|2,0,0]=4 588 B16R2.179941 OC(=O)CCc1cncc2c1cccc2 1P00GFVE [0,1,0,1,0,0|2,0,0]=4 589 B16R2.22833 Cc1cccc2c1[nH]cc2CCC(=O)O 1P007I9M [0,1,0,1,0,0|2,0,0]=4 590 B16R2.520 OC(=O)CC(c1c[nH]c2c1cccc2)C 1P00C9CP [0,1,0,1,0,0|2,0,0]=4 591 B16R2.12 OC(=O)C(Cc1c[nH]c2c1cccc2)C 1P001NT5 [0,1,0,1,0,0|2,0,0]=4 592 B16R2.12 OC(=O)C(Cc1c[nH]c2c1cccc2)N 1P003QBD [0,1,0,1,0,0|2,0,0]=4 593 B16R2.12 OC(=O)C(Cc1c[nH]c2c1cccc2)O 1P0023UM [0,1,0,1,0,0|2,0,0]=4 594 B16R2.12 OC(=O)C(Cc1coc2c1cccc2)N 1P00FFU0 [0,1,0,1,0,0|1,0,0]=3 595 B16R2.12 OC(=O)C(Cc1csc2c1cccc2)N 1P028VNB [0,1,0,1,0,0|1,1,0]=4 596 B16R2.12 OC(=O)C(Cc1n[nH]c2c1cccc2)N 1P028R1W [0,1,0,1,0,0|2,0,0]=4 597 B16R2.12 OC(=O)C(Cc1n[nH]c2c1cccc2)N 1P028XNS [0,1,0,1,0,0|2,0,0]=4 598 B16R2.12 OC(=O)[C@@H](Cc1c[nH]c2c1cccc2)N 1P003557 [0,1,0,1,0,0|2,0,0]=4 599 B16R2.12 OC(=O)[C@H](Cc1c[15nH]c2c1cccc2)[15NH2] 1P00BGHA [0,1,0,1,0,0|2,0,0]=4 600 B16R2.12 OC(=O)[C@H](Cc1c[nH]c2c1cccc2)N 1P003RN7 [0,1,0,1,0,0|2,0,0]=4 601 B16R2.12 OC(=O)[C@H](Cc1csc2c1cccc2)N 1P0038FP [0,1,0,1,0,0|1,1,0]=4 602 B16R2.3355 OC(=O)[C@@H](N1Cc2c(C1=O)cccc2)C 1P00J8Z2 [0,1,0,1,0,0|2,0,0]=4 603 B16R2.3355 OC(=O)[C@H](N1Cc2c(C1=O)cccc2)C 1P01BO7L [0,1,0,1,0,0|2,0,0]=4 604 B16R2.126928 OC(=O)c1cc(=O)c2c(o1)cccc2O 1P00DEI4 [0,1,0,1,0,0|0,0,2]=4 605 B16R2.387812 OC(=O)C1(C)OC(=O)c2c(C1)cccc2 1P00ED38 [0,1,0,1,0,0|2,0,0]=4 606 B16R2.14 COC(=O)CCc1c[nH]c2c1cccc2 1P00DKKE [0,1,0,1,0,0|2,0,0]=4 607 B16R2.1170 COC(=O)CN1Cc2c(C1=O)cccc2 1P00IK7C [0,1,0,1,0,0|2,0,0]=4 608 B16R2.33887 COC(=O)C1CC(=O)c2c(C1)cccc2 1P00DLUC [0,1,0,1,0,0|1,0,0]=3 609 B16R2.33887 COC(=O)c1cc(=O)c2c(o1)cccc2 1P0076CH [0,1,0,1,0,0|0,0,2]=4 610 B16R2.2976 OC(=O)CCc1c[nH]c2c1ccc(c2)Br 1P002LBU [0,1,0,1,0,0|2,0,0]=4 611 B16R2.2976 OC(=O)CCc1c[nH]c2c1ccc(c2)C 1P00B2O1 [0,1,0,1,0,0|2,0,0]=4 612 B16R2.98474 OC(=O)CC1Cc2c(C1=O)ccc(c2)Br 1P028JIG [0,1,0,1,0,0|1,0,0]=3 613 B16R2.133406 Brc1ccc2c(c1)oc(cc2=O)C(=O)O 1P000ADE [0,1,0,1,0,0|0,0,2]=4 614 B16R2.133406 Cc1ccc2c(c1)oc(cc2=O)C(=O)O 1P0063Z0 [0,1,0,1,0,0|0,0,2]=4 615 B16R2.133406 Clc1ccc2c(c1)oc(cc2=O)C(=O)O 1P000FLV [0,1,0,1,0,0|0,0,2]=4 616 B16R2.133406 Fc1ccc2c(c1)oc(cc2=O)C(=O)O 1P000Z5L [0,1,0,1,0,0|0,0,2]=4 617 B16R2.133406 OC(=O)C1Cc2cc(Cl)ccc2C(=O)O1 1P01BJKW [0,1,0,1,0,0|2,0,0]=4 618 B16R2.133406 OC(=O)C1Cc2cc(F)ccc2C(=O)O1 1P01BJKY [0,1,0,1,0,0|2,0,0]=4 619 B16R2.133406 Oc1ccc2c(c1)oc(cc2=O)C(=O)O 1P007JZ6 [0,1,0,1,0,0|0,0,2]=4 620 B16R2.145452 OC(=O)C1Oc2ccccc2S(=O)(=O)C1 1P01A8XB [0,1,0,1,0,0|1,0,0]=3 621 B16R2.22904 OC(=O)CCc1c[nH]c2c1c(C)ccc2 1P019TY0 [0,1,0,1,0,0|2,0,0]=4 622 B16R2.12029 OC(=O)CC1Cc2c(C1=O)cc(cc2)Br 1P0286GZ [0,1,0,1,0,0|1,0,0]=3 623 B16R2.12029 OC(=O)CC1Cc2c(C1=O)cc(cc2)Cl 1P028FQW [0,1,0,1,0,0|1,0,0]=3 624 B16R2.15551 Cc1cc2c(CCC(=O)O)c[nH]c2cc1 1P019TO1 [0,1,0,1,0,0|2,0,0]=4 625 B16R2.15551 OC(=O)CCc1c[nH]c2c1cc(Br)cc2 1P00D96C [0,1,0,1,0,0|2,0,0]=4 626 B16R2.15551 OC(=O)CCc1c[nH]c2c1cc(F)cc2 1P005JBW [0,1,0,1,0,0|2,0,0]=4 627 B16R2.23501 Brc1ccc2c(c1)c(=O)cc(o2)C(=O)O 1P003NLB [0,1,0,1,0,0|0,0,2]=4 628 B16R2.23501 Cc1ccc2c(c1)c(=O)cc(o2)C(=O)O 1P006WTI [0,1,0,1,0,0|0,0,2]=4 629 B16R2.23501 Clc1ccc2c(c1)c(=O)cc(o2)C(=O)O 1P00DEKW [0,1,0,1,0,0|0,0,2]=4 630 B16R2.23501 Fc1ccc2c(c1)c(=O)cc(o2)C(=O)O 1P003NOE [0,1,0,1,0,0|0,0,2]=4 631 B16R2.23501 OC(=O)C1CC(=O)c2c(O1)ccc(c2)Cl 1P01AGC3 [0,1,0,1,0,0|0,0,0]=2 632 B16R2.23501 OC(=O)C1CC(=O)c2c(O1)ccc(c2)F 1P008TKJ [0,1,0,1,0,0|0,0,0]=2 633 B16R2.23501 OC(=O)C1CC(=O)c2c(S1)ccc(c2)Br 1P02490R [0,1,0,1,0,0|0,1,0]=3 634 B16R2.23501 OC(=O)C1CC(O)c2c(O1)ccc(c2)F 1P01C3A2 [0,1,0,1,0,0|0,0,2]=4 635 B16R2.23501 OC(=O)C1OC(=O)c2c(C1)ccc(c2)Cl 1P01BJKX [0,1,0,1,0,0|2,0,0]=4 636 B16R2.23501 OC(=O)C1OC(=O)c2c(C1)ccc(c2)F 1P01BHH7 [0,1,0,1,0,0|2,0,0]=4 637 B16R2.23501 Oc1ccc2c(c1)c(=O)cc(o2)C(=O)O 1P01DVSZ [0,1,0,1,0,0|0,0,2]=4 638 B16R2.4003 OC(=O)CCC1C(=O)Nc2c1cccc2 1P00I5YQ [0,1,0,1,0,0|1,0,1]=4 639 B16R2.4003 OC(=O)CCc1c(C)[nH]c2c1cccc2 1P0009KQ [0,1,0,1,0,0|2,0,0]=4 640 B16R2.4003 OC(=O)CCn1c(=O)[nH]c2c1cccc2 1P005AZM [0,1,0,1,0,0|2,0,0]=4 641 B16R2.4003 OC(=O)CCn1c(=O)oc2c1cccc2 1P0080PI [0,1,0,1,0,0|1,0,0]=3 642 B16R2.4003 OC(=O)CCn1c(=O)sc2c1cccc2 1P0045V7 [0,1,0,1,0,0|1,1,0]=4 643 B16R2.40082 O=CN1CC(Oc2c1cccc2)C(=O)O 1P01C55X [0,1,0,1,0,0|1,0,0]=3 644 B12R1.54 O=C([C-]1C=CC=C1)CCC(=O)O 1P000ZBO [1,0,0,0,1,0|0,0,1]=3 645 B12R1.54 OC(=O)CCC(=O)c1ccc[nH]1 1P01A2XW [1,0,0,0,1,0|1,0,0]=3 646 B12R1.54 OC(=O)CCC(=O)c1cccs1 1P00DF44 [1,0,0,0,1,0|1,0,0]=3 647 B12R1.54 OC(=O)CNC(=O)c1ccco1 1P0035QV [1,0,0,0,1,0|2,0,0]=4 648 B12R1.54 OC(=O)CNC(=O)c1cccs1 1P003D6T [1,0,0,0,1,0|2,0,0]=4 649 B12R1.54 OC(=O)CNC(=O)c1cocc1 1P019N88 [1,0,0,0,1,0|2,0,0]=4 650 B12R1.54 OC(=O)CNC(=O)c1cscc1 1P00FHWZ [1,0,0,0,1,0|2,0,0]=4 651 B12R1.107 CC(=CC(=O)O)c1ccccc1 1P000QAQ [1,0,0,0,1,0|1,0,1]=4 652 B12R1.107 CC(=O)CC(=O)c1ccccn1 1P00CHQ6 [1,0,0,0,1,0|2,0,0]=4 653 B12R1.107 CC(=O)CC(=O)c1cccnc1 1P007DNH [1,0,0,0,1,0|2,0,0]=4 654 B12R1.107 CC(c1ccccc1)CC(=O)O 1P003KCA [1,0,0,0,1,0|1,0,1]=4 655 B12R1.107 CN(c1ccccc1)CC(=O)O 1P003A5H [1,0,0,0,1,0|2,0,0]=4 656 B12R1.107 CN(c1ccccc1)CC(=O)O 1P0076QI [1,0,0,0,1,0|2,0,0]=4 657 B12R1.107 C[C@@H](c1ccccc1)CC(=O)O 1P003CQF [1,0,0,0,1,0|1,0,1]=4 658 B12R1.107 C[C@H](c1ccccc1)CC(=O)O 1P003D2T [1,0,0,0,1,0|1,0,1]=4 659 B12R1.107 C\C(=C/C(=O)O)\c1ccccc1 1P005J10 [1,0,0,0,1,0|1,0,1]=4 660 B12R1.107 F\C(=C/C(=O)O)\c1ccccc1 1P028ELB [1,0,0,0,1,0|1,0,1]=4 661 B12R1.107 F\C(=C\C(=O)O)\c1ccccc1 1P027U6A [1,0,0,0,1,0|1,0,1]=4 662 B12R1.107 I\C(=C/C(=O)O)\c1ccccc1 1P028MCH [1,0,0,0,1,0|1,0,1]=4 663 B12R1.107 NC(c1ccccc1)CC(=O)O 1P003JBO [1,0,0,0,1,0|1,0,1]=4 664 B12R1.107 NC(c1ccccc1)CC(=O)O 1P00DNX9 [1,0,0,0,1,0|1,0,1]=4 665 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P0032VU [1,0,0,0,1,0|1,0,1]=4 666 B12R1.107 N[C@@H](c1ccccc1)CC(=O)O 1P004U26 [1,0,0,0,1,0|1,0,1]=4 667 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P003D2H [1,0,0,0,1,0|1,0,1]=4 668 B12R1.107 N[C@H](c1ccccc1)CC(=O)O 1P008J3J [1,0,0,0,1,0|1,0,1]=4 669 B12R1.107 O=C(c1ccccc1)CC(=O)C 1P003F29 [1,0,0,0,1,0|1,0,0]=3 670 B12R1.107 O=C(c1ccccc1)CC(=O)[O-] 1P00FIFJ [1,0,0,0,1,0|0,0,1]=3 671 B12R1.107 O=C(c1ccccc1)C[N+](=O)[O-] 1P003OJT [1,0,0,0,1,0|1,0,1]=4 672 B12R1.107 O=C(c1ccccc1)NC(=O)N 1P003OJV [1,0,0,0,1,0|2,0,0]=4 673 B12R1.107 O=C(c1ccncc1)CC(=O)C 1P005S1N [1,0,0,0,1,0|2,0,0]=4 674 B12R1.107 OC(c1ccccc1)CC(=O)O 1P00C7L2 [1,0,0,0,1,0|0,0,2]=4 675 B12R1.107 O[C@@H](c1ccccc1)CC(=O)O 1P002UVZ [1,0,0,0,1,0|0,0,2]=4 676 B12R1.107 O[C@H](c1ccccc1)CC(=O)O 1P003D2M [1,0,0,0,1,0|0,0,2]=4 677 B12R1.125 CC(=O)CCc1ccccc1Cl 1P01HUV1 [1,0,0,0,1,0|2,0,0]=4 678 B12R1.125 CC(=O)CCc1ccccc1F 1P01AIYU [1,0,0,0,1,0|2,0,0]=4 679 B12R1.125 CC(=O)NCc1ccccc1O 1P008NEH [1,0,0,0,1,0|2,0,0]=4 680 B12R1.125 Cc1ccncc1CCC(=O)O 1P000ZN8 [1,0,0,0,1,0|2,0,0]=4 681 B12R1.125 Cc1ncccc1CCC(=O)O 1P00ICJI [1,0,0,0,1,0|2,0,0]=4 682 B12R1.125 Cc1ncccc1CCC(=O)O 1P0281ED [1,0,0,0,1,0|2,0,0]=4 683 B12R1.125 ClC(=O)CCc1ccccc1Br 1P01EZGG [1,0,0,0,1,0|2,0,0]=4 684 B12R1.125 NC(=O)CCc1ccccc1N 1P01BVV9 [1,0,0,0,1,0|2,0,0]=4 685 B12R1.125 NC(=O)CCc1ccccc1O 1P007P5E [1,0,0,0,1,0|1,0,0]=3 686 B12R1.125 NC(=O)COc1ccccc1O 1P00C69V [1,0,0,0,1,0|2,0,0]=4 687 B12R1.125 OC(=O)C=Cc1ccccc1Br 1P0033MW [1,0,0,0,1,0|1,0,1]=4 688 B12R1.125 OC(=O)C=Cc1ccccc1C 1P019O2E [1,0,0,0,1,0|1,0,1]=4 689 B12R1.125 OC(=O)C=Cc1ccccc1Cl 1P0033PW [1,0,0,0,1,0|1,0,1]=4 690 B12R1.125 OC(=O)C=Cc1ccccc1F 1P003HSF [1,0,0,0,1,0|1,0,1]=4 691 B12R1.125 OC(=O)CCc1ccccc1Br 1P001NLG [1,0,0,0,1,0|1,0,0]=3 692 B12R1.125 OC(=O)CCc1ccccc1C 1P003BQQ [1,0,0,0,1,0|1,0,0]=3 693 B12R1.125 OC(=O)CCc1ccccc1Cl 1P001V8E [1,0,0,0,1,0|1,0,0]=3 694 B12R1.125 OC(=O)CCc1ccccc1F 1P001V8F [1,0,0,0,1,0|1,0,0]=3 695 B12R1.125 OC(=O)CCc1ccccc1I 1P00IKAW [1,0,0,0,1,0|1,0,0]=3 696 B12R1.125 OC(=O)CCc1ccccc1O 1P003IHI [1,0,0,0,1,0|0,0,0]=2 697 B12R1.125 OC(=O)CCc1cccnc1Cl 1P01B612 [1,0,0,0,1,0|2,0,0]=4 698 B12R1.125 OC(=O)CCc1cccnc1F 1P00IIRH [1,0,0,0,1,0|2,0,0]=4 699 B12R1.125 OC(=O)CCc1ccncc1C 1P00HBM0 [1,0,0,0,1,0|2,0,0]=4 700 B12R1.125 OC(=O)CCc1ccncc1F 1P0201YO [1,0,0,0,1,0|2,0,0]=4 701 B12R1.125 OC(=O)CCc1cncnc1O 1P01CAP4 [1,0,0,0,1,0|2,0,0]=4 702 B12R1.125 OC(=O)CCc1ncccc1C 1P00ICJG [1,0,0,0,1,0|2,0,0]=4 703 B12R1.125 OC(=O)CCn1ccccc1=O 1P00FFU4 [1,0,0,0,1,0|1,0,1]=4 704 B12R1.125 OC(=O)CNc1ccccc1Cl 1P00FHKA [1,0,0,0,1,0|2,0,0]=4 705 B12R1.125 OC(=O)CNc1ccccc1F 1P00D9L6 [1,0,0,0,1,0|2,0,0]=4 706 B12R1.125 OC(=O)COc1ccccc1Br 1P002H0V [1,0,0,0,1,0|2,0,0]=4 707 B12R1.125 OC(=O)COc1ccccc1C 1P002GYV [1,0,0,0,1,0|2,0,0]=4 708 B12R1.125 OC(=O)COc1ccccc1F 1P003C3Z [1,0,0,0,1,0|2,0,0]=4 709 B12R1.125 OC(=O)COc1ccccc1O 1P003HWK [1,0,0,0,1,0|1,0,0]=3 710 B12R1.125 OC(=O)CSc1ccccc1Br 1P01DUSN [1,0,0,0,1,0|2,0,0]=4 711 B12R1.125 OC(=O)CSc1ccccc1C 1P00ADC0 [1,0,0,0,1,0|2,0,0]=4 712 B12R1.125 OC(=O)CSc1ccccc1Cl 1P00ALGW [1,0,0,0,1,0|2,0,0]=4 713 B12R1.125 OC(=O)CSc1ccccc1F 1P005UWQ [1,0,0,0,1,0|2,0,0]=4 714 B12R1.125 OC(=O)CSc1ccccc1O 1P00536S [1,0,0,0,1,0|1,0,0]=3 715 B12R1.125 OC(=O)\C=C\c1ccccc1Br 1P008OSG [1,0,0,0,1,0|1,0,1]=4 716 B12R1.125 OC(=O)\C=C\c1ccccc1C 1P003I5R [1,0,0,0,1,0|1,0,1]=4 717 B12R1.125 OC(=O)\C=C\c1ccccc1Cl 1P006B5H [1,0,0,0,1,0|1,0,1]=4 718 B12R1.125 OC(=O)\C=C\c1ccccc1F 1P002E51 [1,0,0,0,1,0|1,0,1]=4 719 B12R1.125 OC(=O)\C=C\c1ccccc1O 1P00IBBN [1,0,0,0,1,0|0,0,1]=3 720 B12R1.125 [O-]C(=O)CCc1ccccc1N 1P01JMCU [1,0,0,0,1,0|1,0,1]=4 721 B12R1.124 OC(=O)C(=O)c1ccccc1Br 1P00C2CO [0,0,0,0,2,0|1,0,0]=3 722 B12R1.124 OC(=O)C(=O)c1ccccc1C 1P01JML1 [0,0,0,0,2,0|1,0,0]=3 723 B12R1.124 OC(=O)C(=O)c1ccccc1Cl 1P002S7X [0,0,0,0,2,0|1,0,0]=3 724 B12R1.124 OC(=O)C(=O)c1ccccc1F 1P0052A8 [0,0,0,0,2,0|1,0,0]=3 725 B12R1.124 OC(=O)C(=O)c1ccccc1O 1P028KJP [0,0,0,0,2,0|0,0,0]=2 726 B12R1.124 OC(=O)C(c1ccccc1O)N 1P002R85 [0,0,0,0,2,0|1,0,1]=4 727 B12R1.124 OC(=O)[C@@H](c1ccccc1O)N 1P024G33 [0,0,0,0,2,0|1,0,1]=4 728 B12R1.124 OC(=O)[C@H](c1ccccc1O)N 1P024G2K [0,0,0,0,2,0|1,0,1]=4 729 B12R1.124 [O-]C(=O)C(=O)c1ccccc1N 1P0024X4 [0,0,0,0,2,0|1,0,1]=4 730 B14R1.420 C1(=CC=CC=C1)C(CCCC(=O)O)=C 1P01JJ9T [1,0,0,0,0,1|1,0,0]=3 731 B14R1.420 CC(c1ccccc1)CCCC(=O)O 1P028YI2 [1,0,0,0,0,1|1,0,1]=4 732 B14R1.420 CC(c1ccccc1)COCC(=O)O 1P01C5V9 [1,0,0,0,0,1|1,0,1]=4 733 B14R1.420 NC(c1ccccc1)CCCC(=O)O 1P028KBS [1,0,0,0,0,1|1,0,1]=4 734 B14R1.420 N[C@@H](c1ccccc1)CCCC(=O)O 1P00231H [1,0,0,0,0,1|1,0,1]=4 735 B14R1.420 O=C(c1ccccc1)CCCC(=O)O 1P001MSV [1,0,0,0,0,1|0,0,0]=2 736 B14R1.420 O=C(c1ccccc1)CCOC(=O)C 1P0061PC [1,0,0,0,0,1|1,0,0]=3 737 B14R1.420 O=C(c1ccccc1)CSCC(=O)O 1P00JMH4 [1,0,0,0,0,1|0,0,0]=2 738 B14R1.420 O=C(c1ccccc1)NCCC(=O)O 1P003ON4 [1,0,0,0,0,1|0,0,0]=2 739 B14R1.420 O=C(c1ccccc1)OCCC(=C)C 1P00E12Z [1,0,0,0,0,1|2,0,0]=4 740 B14R1.420 O=C(c1ccccc1)OCCN(=O)=O 1P01DF7G [1,0,0,0,0,1|1,0,1]=4 741 B14R1.420 O=C(c1ccncc1)NCCC(=O)O 1P019NGE [1,0,0,0,0,1|1,0,0]=3 742 B14R1.420 O=C(c1ccncc1)NCCC(=O)O 1P028VYE [1,0,0,0,0,1|1,0,0]=3 743 B14R1.420 OC(=O)CCNC(=O)c1cnccn1 1P019XE2 [1,0,0,0,0,1|2,0,0]=4 744 B14R1.159 OC(=O)CCCCc1ccccc1O 1P0289HA [1,0,0,0,0,1|0,0,1]=3 745 B14R1.159 OC(=O)CCCOc1ccccc1Br 1P019V2Q [1,0,0,0,0,1|1,0,1]=4 746 B14R1.159 OC(=O)CCCOc1ccccc1C 1P006WQX [1,0,0,0,0,1|1,0,1]=4 747 B14R1.159 OC(=O)CCCOc1ccccc1Cl 1P01A8K5 [1,0,0,0,0,1|1,0,1]=4 748 B14R1.159 OC(=O)CCCOc1ccccc1F 1P00BHHF [1,0,0,0,0,1|1,0,1]=4 749 B14R1.159 OC(=O)CCNCc1ccccc1Cl 1P019VG1 [1,0,0,0,0,1|1,0,1]=4 750 B16R1.7414 O=C(Nc1ccccc1C)CCCC(=O)O 1P01XHH0 [0,0,0,0,0,2|1,0,0]=3 751 B16R1.7414 O=C(Nc1ccccc1F)CSCC(=O)O 1P019K25 [0,0,0,0,0,2|1,0,0]=3 752 B16R1.10817 CC(=O)NCCNC(=O)c1ccccc1N 1P01A0UC [0,0,0,0,0,2|2,0,0]=4 753 B16R1.10817 OC(=O)CCCCC(=O)c1ccccc1Cl 1P006U76 [0,0,0,0,0,2|1,0,0]=3