0 B15R1.5919 BrC(=C)CNC(=O)CCc1ccncc1 Amb17922491 [0,0,0,0,0,0|3,0,1]=4 1 B15R1.5919 C=C(Cl)CNC(=O)OCc1ccccc1 Amb24670737 [0,0,0,0,0,0|1,0,1]=2 2 B15R1.5919 C=C(O)CNC(=O)OCc1ccccc1 Amb25710630 [0,0,0,0,0,0|0,0,2]=2 3 B15R1.5919 CC(=O)CNC(=O)NCc1ccccc1 Amb25719658 [0,0,0,0,0,0|1,0,0]=1 4 B15R1.5919 CC(=O)NCC(=O)NCc1ccccc1 Amb25712387 [0,0,0,0,0,0|3,0,0]=3 5 B15R1.5919 CC(=O)NCC(=O)OCc1ccccc1 Amb25277285 [0,0,0,0,0,0|2,0,0]=2 6 B15R1.5919 CC(=O)NNC(C)CCc1ccccc1 Amb22468992 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.5919 CC(=O)ONC(=O)OCc1ccccc1 Amb24323244 [0,0,0,0,0,0|1,0,0]=1 8 B15R1.5919 CC(=O)\C=C\C(=O)NCc1ccccc1 Amb24512792 [0,0,0,0,0,0|2,0,1]=3 9 B15R1.5919 CC(C)=CNC(=O)OCc1ccccc1 Amb24444902 [0,0,0,0,0,0|1,0,1]=2 10 B15R1.5919 CC(C)CCC(=O)NCc1ccccc1 Amb21683356 [0,0,0,0,0,0|3,0,1]=4 11 B15R1.5919 CC(C)CNC(=O)CNc1ccccc1 Amb25388154 [0,0,0,0,0,0|3,0,1]=4 12 B15R1.5919 CC(C)ONC(=O)OCc1ccccc1 Amb25286460 [0,0,0,0,0,0|2,0,1]=3 13 B15R1.5919 CC(CCC(=O)CCc1ccccc1)C Amb10561852 [0,0,0,0,0,0|3,0,1]=4 14 B15R1.5919 CC(CCC(=O)NCc1ccccc1)O Amb17338796 [0,0,0,0,0,0|2,0,2]=4 15 B15R1.5919 CC(CNC(=O)CCc1ccccn1)C Amb16919520 [0,0,0,0,0,0|3,0,1]=4 16 B15R1.5919 CC(CNC(=O)CCc1cccnc1)C Amb13969852 [0,0,0,0,0,0|3,0,1]=4 17 B15R1.5919 CC(CNC(=O)NCc1ccccc1)C Amb16864321 [0,0,0,0,0,0|2,0,1]=3 18 B15R1.5919 CC(CNC(=O)NCc1ccccn1)C Amb11256380 [0,0,0,0,0,0|3,0,1]=4 19 B15R1.5919 CC(CNC(=O)NCc1cccnc1)C Amb11256381 [0,0,0,0,0,0|3,0,1]=4 20 B15R1.5919 CC(F)CNC(=O)OCc1ccccc1 Amb25122755 [0,0,0,0,0,0|1,0,1]=2 21 B15R1.5919 CC(N)CCC(=O)NCc1ccccc1 Amb25269991 [0,0,0,0,0,0|3,0,1]=4 22 B15R1.5919 CC(N)CCC(=O)OCc1ccccc1 Amb25671189 [0,0,0,0,0,0|2,0,1]=3 23 B15R1.5919 CC(N)CNC(=O)OCc1ccccc1 Amb25678582 [0,0,0,0,0,0|1,0,1]=2 24 B15R1.5919 CC(O)C#CC(=O)OCc1ccccc1 Amb21864941 [0,0,0,0,0,0|1,0,3]=4 25 B15R1.5919 CN(C)CCC(=O)OCc1ccccc1 Amb24401553 [0,0,0,0,0,0|3,0,0]=3 26 B15R1.5919 C\C(=N/NC(=O)C)\CCc1ccccc1 Amb2266784 [0,0,0,0,0,0|3,0,1]=4 27 B15R1.5919 NC(=O)CNC(=N)NCc1ccccc1 Amb24471882 [0,0,0,0,0,0|3,0,0]=3 28 B15R1.5919 NC(=O)NCC(=O)OCc1ccccc1 Amb24383056 [0,0,0,0,0,0|3,0,0]=3 29 B15R1.5919 NC(=S)NNC(=S)OCc1ccccc1 Amb24752347 [0,0,0,0,0,0|2,2,0]=4 30 B15R1.5919 O=C(CCC(=O)C)NCc1ccccc1 Amb16886463 [0,0,0,0,0,0|2,0,0]=2 31 B15R1.5919 O=C(CCC(=O)Cl)NCc1ccccc1 Amb17144046 [0,0,0,0,0,0|3,0,0]=3 32 B15R1.5919 O=C(CCC(=O)Cl)NCc1ccncc1 Amb17144094 [0,0,0,0,0,0|4,0,0]=4 33 B15R1.5919 O=C(CCC(=O)N)NCc1ccccc1 Amb1782179 [0,0,0,0,0,0|3,0,0]=3 34 B15R1.5919 O=C(CNC(=O)N)NCc1ccccc1 Amb11219701 [0,0,0,0,0,0|4,0,0]=4 35 B15R1.5919 O=C(COc1ccccc1)NCC(=O)N Amb1244189 [0,0,0,0,0,0|3,0,0]=3 36 B15R1.5919 O=C(COc1ccccc1)NCC(=O)O Amb1105544 [0,0,0,0,0,0|3,0,0]=3 37 B15R1.5919 O=C(COc1ccccc1)OCC(=O)N Amb2246973 [0,0,0,0,0,0|4,0,0]=4 38 B15R1.5919 O=C(NCC(=C)Br)NCc1ccccc1 Amb11589684 [0,0,0,0,0,0|2,0,1]=3 39 B15R1.5919 O=C(NCC(=N)N)OCc1ccccc1 Amb16232509 [0,0,0,0,0,0|2,0,0]=2 40 B15R1.5919 O=C(NCC(=O)C)OCc1ccccc1 Amb10575344 [0,0,0,0,0,0|0,0,0]=0 41 B15R1.5919 O=C(NCC(=O)N)NCc1ccccc1 Amb11252097 [0,0,0,0,0,0|2,0,0]=2 42 B15R1.5919 O=C(NCC(=O)O)CCc1ccccc1 Amb1128265 [0,0,0,0,0,0|2,0,0]=2 43 B15R1.5919 O=C(NCC(=O)O)OCc1ccccc1 Amb2419242 [0,0,0,0,0,0|1,0,0]=1 44 B15R1.5919 O=C(NCc1ccccn1)CCC(=O)N Amb17143373 [0,0,0,0,0,0|4,0,0]=4 45 B15R1.5919 O=C(NCc1ccccn1)CNC(=O)C Amb11220051 [0,0,0,0,0,0|4,0,0]=4 46 B15R1.5919 O=C(NCc1cccnc1)CCC(=O)Cl Amb17144092 [0,0,0,0,0,0|4,0,0]=4 47 B15R1.5919 O=C(NN=C(C)C)COc1ccccc1 Amb1625263 [0,0,0,0,0,0|4,0,0]=4 48 B15R1.5919 O=C(NNC(=O)C)NCc1ccccc1 Amb11252061 [0,0,0,0,0,0|2,0,0]=2 49 B15R1.5919 O=C(NNC(=O)N)CCc1ccccc1 Amb1778096 [0,0,0,0,0,0|3,0,0]=3 50 B15R1.5919 O=C(\C=C/C(=O)N)NCc1ccccc1 Amb1235090 [0,0,0,0,0,0|3,0,1]=4 51 B15R1.5919 O=C(\C=C/C(=O)O)NCc1ccccc1 Amb1255069 [0,0,0,0,0,0|3,0,1]=4 52 B15R1.5919 O=C(\C=C/c1ccccc1)NCC(=O)O Amb16481031 [0,0,0,0,0,0|2,0,1]=3 53 B15R1.5919 O=C(\C=C\C(=O)N)NCc1ccccc1 Amb1251671 [0,0,0,0,0,0|3,0,1]=4 54 B15R1.5919 O=C(\C=C\c1ccccc1)CCC(=O)O Amb2406416 [0,0,0,0,0,0|3,0,1]=4 55 B15R1.5919 O=C(\C=C\c1ccccc1)NCC(=O)O Amb1206359 [0,0,0,0,0,0|2,0,1]=3 56 B15R1.5919 O=C(\C=C\c1ccccc1)OCC(=O)N Amb1673092 [0,0,0,0,0,0|3,0,1]=4 57 B15R1.5919 OC(=O)CNC(=O)CCc1cc[n]cc1 Amb18568317 [0,0,0,0,0,0|3,0,0]=3 58 B15R1.5919 OC(=O)CNC(=O)CCc1cccc[n]1 Amb18568316 [0,0,0,0,0,0|3,0,0]=3 59 B15R1.5919 OC(=O)COC(=O)OCc1ccccc1 Amb25770526 [0,0,0,0,0,0|2,0,0]=2 60 B15R1.5919 OC(=O)\C=N\C(=O)OCc1ccccc1 Amb24117918 [0,0,0,0,0,0|1,0,2]=3 61 B15R1.5919 OS(=O)CCC(=O)NCc1ccccc1 Amb22470750 [0,0,0,0,0,0|4,0,0]=4 62 B15R1.5919 S=C(NCC(=O)O)NCc1ccccc1 Amb2242353 [0,0,0,0,0,0|2,1,0]=3 63 B15R1.5919 S=C(NN=C(C)C)NCc1ccccc1 Amb2459555 [0,0,0,0,0,0|3,1,0]=4 64 B15R1.5919 S=C(NNc1ccccc1)NCC(=C)C Amb16204347 [0,0,0,0,0,0|3,1,0]=4 65 B14R1.156 BrCCCC(=O)OCc1ccccc1 Amb2413170 [1,0,0,0,0,0|2,0,1]=4 66 B14R1.156 BrCCNC(=O)OCc1ccccc1 Amb10608828 [1,0,0,0,0,0|1,0,1]=3 67 B14R1.156 C#CCCC(=O)OCc1ccccc1 Amb18118053 [1,0,0,0,0,0|1,0,2]=4 68 B14R1.156 C#CCNC(=O)CCc1ccccc1 Amb10672066 [1,0,0,0,0,0|1,0,2]=4 69 B14R1.156 C#CCNC(=O)OCc1ccccc1 Amb21962934 [1,0,0,0,0,0|0,0,2]=3 70 B14R1.156 C#CCOC(=O)OCc1ccccc1 Amb25777078 [1,0,0,0,0,0|1,0,2]=4 71 B14R1.156 C=CCCC(=O)NCc1ccccc1 Amb22522679 [1,0,0,0,0,0|2,0,1]=4 72 B14R1.156 C=CCCC(=O)OCc1ccccc1 Amb24644242 [1,0,0,0,0,0|1,0,1]=3 73 B14R1.156 C=CCNC(=O)C=Cc1ccccc1 Amb15739664 [1,0,0,0,0,0|1,0,2]=4 74 B14R1.156 C=CCNC(=O)CCc1ccccn1 Amb16919518 [1,0,0,0,0,0|2,0,1]=4 75 B14R1.156 C=CCNC(=O)CNc1ccccc1 Amb17139253 [1,0,0,0,0,0|2,0,1]=4 76 B14R1.156 C=CCNC(=O)COc1ccccc1 Amb2456828 [1,0,0,0,0,0|2,0,1]=4 77 B14R1.156 C=CCNC(=O)NCc1ccccc1 Amb2236969 [1,0,0,0,0,0|1,0,1]=3 78 B14R1.156 C=CCNC(=S)CCc1ccccc1 Amb10563142 [1,0,0,0,0,0|1,1,1]=4 79 B14R1.156 CCCCC(=O)OCc1ccccc1 Amb16192632 [1,0,0,0,0,0|1,0,1]=3 80 B14R1.156 CCCCC(=O)SCc1ccccc1 Amb10562264 [1,0,0,0,0,0|1,1,1]=4 81 B14R1.156 CCCNC(=N)NCc1ccccc1 Amb19073532 [1,0,0,0,0,0|2,0,1]=4 82 B14R1.156 CCCNC(=O)C#Cc1ccccc1 Amb24674279 [1,0,0,0,0,0|1,0,2]=4 83 B14R1.156 CCCNC(=O)CCc1ccccn1 Amb16919515 [1,0,0,0,0,0|2,0,1]=4 84 B14R1.156 CCCNC(=O)NCc1c[n]ccc1 Amb23263147 [1,0,0,0,0,0|2,0,1]=4 85 B14R1.156 CCCNC(=O)NCc1cccc[n]1 Amb23263146 [1,0,0,0,0,0|2,0,1]=4 86 B14R1.156 CCCNC(=O)NCc1ccccc1 Amb2236970 [1,0,0,0,0,0|1,0,1]=3 87 B14R1.156 CCNCC(=O)OCc1ccccc1 Amb19079330 [1,0,0,0,0,0|2,0,1]=4 88 B14R1.156 CCONC(=O)CCc1ccccc1 Amb10705048 [1,0,0,0,0,0|2,0,1]=4 89 B14R1.156 CCONC(=O)OCc1ccccc1 Amb24372859 [1,0,0,0,0,0|1,0,1]=3 90 B14R1.156 CCSNC(=O)NCc1ccccc1 Amb22341977 [1,0,0,0,0,0|2,0,1]=4 91 B14R1.156 CNCCC(=O)NCc1ccccc1 Amb19073978 [1,0,0,0,0,0|3,0,0]=4 92 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb19061708 [1,0,0,0,0,0|2,0,0]=3 93 B14R1.156 CNCNC(=O)OCc1ccccc1 Amb24451123 [1,0,0,0,0,0|1,0,0]=2 94 B14R1.156 CSCCC(=O)NCc1ccccc1 Amb25311912 [1,0,0,0,0,0|3,0,0]=4 95 B14R1.156 C[C@H](CCC=O)OCc1ccccc1 Amb25835190 [1,0,0,0,0,0|2,0,1]=4 96 B14R1.156 C\C=C\CC(=O)NCc1ccccc1 Amb25827577 [1,0,0,0,0,0|2,0,1]=4 97 B14R1.156 C\C=C\NC(=O)OCc1ccccc1 Amb25195901 [1,0,0,0,0,0|0,0,1]=2 98 B14R1.156 C\C=N\NC(=O)CCc1ccccc1 Amb2465876 [1,0,0,0,0,0|2,0,0]=3 99 B14R1.156 N#CCCC(=O)OCc1ccccc1 Amb17336070 [1,0,0,0,0,0|2,0,1]=4 100 B14R1.156 N#CCNC(=O)NCc1ccccc1 Amb25194658 [1,0,0,0,0,0|2,0,1]=4 101 B14R1.156 NCCNC(=O)NCc1ccccc1 Amb17235652 [1,0,0,0,0,0|2,0,1]=4 102 B14R1.156 O=C(CCC=O)OCc1ccccc1 Amb22386911 [1,0,0,0,0,0|1,0,0]=2 103 B14R1.156 O=C(CCCCl)OCc1ccccc1 Amb19960308 [1,0,0,0,0,0|2,0,1]=4 104 B14R1.156 O=C(CNC=O)NCc1ccccc1 Amb25128355 [1,0,0,0,0,0|3,0,0]=4 105 B14R1.156 O=C(CNC=O)OCc1ccccc1 Amb25764522 [1,0,0,0,0,0|2,0,0]=3 106 B14R1.156 O=C(NCC=O)OCc1ccccc1 Amb18651420 [1,0,0,0,0,0|0,0,0]=1 107 B14R1.156 O=C(NCCF)NCc1ccccc1 Amb25113255 [1,0,0,0,0,0|2,0,1]=4 108 B14R1.156 O=C(NCCI)OCc1ccccc1 Amb21962791 [1,0,0,0,0,0|1,0,1]=3 109 B14R1.156 O=C(NCCS)OCc1ccccc1 Amb24506531 [1,0,0,0,0,0|0,1,1]=3 110 B14R1.156 O=C(N\C=C\Cl)OCc1ccccc1 Amb24512850 [1,0,0,0,0,0|1,0,1]=3 111 B14R1.156 O=C(\C=C\C=O)OCc1ccccc1 Amb25093793 [1,0,0,0,0,0|1,0,1]=3 112 B14R1.156 OCCNC(=O)OCc1ccccc1 Amb17719245 [1,0,0,0,0,0|0,0,2]=3 113 B14R1.156 O[13CH2][13CH2][15NH]C(=O)OCc1ccccc1 Amb17609202 [1,0,0,0,0,0|0,0,2]=3 114 B14R1.422 CC(=C)CCNOCc1ccccc1 Amb24575123 [1,0,0,0,0,0|3,0,0]=4 115 B14R1.422 CC(=O)C#CCOCc1ccccc1 Amb25818767 [1,0,0,0,0,0|1,0,2]=4 116 B14R1.422 CC(=O)CCCOCc1ccccc1 Amb19078943 [1,0,0,0,0,0|1,0,1]=3 117 B14R1.422 CC(=O)NCCOCc1ccccc1 Amb23166894 [1,0,0,0,0,0|2,0,1]=4 118 B14R1.422 CC(=O)NC\C=C/Cc1ccccc1 Amb24072932 [1,0,0,0,0,0|3,0,0]=4 119 B14R1.422 CS(=O)CCNOCc1ccccc1 Amb25248431 [1,0,0,0,0,0|3,0,0]=4 120 B14R1.422 NC(=O)CCCOCc1ccccc1 Amb25073445 [1,0,0,0,0,0|2,0,1]=4 121 B14R1.422 O=C(Cl)CCCOCc1ccccc1 Amb25841722 [1,0,0,0,0,0|2,0,1]=4 122 B14R1.422 OC(=O)CSCOCc1ccccc1 Amb24472490 [1,0,0,0,0,0|2,0,1]=4 123 B16R1.400 CC(C)CNC(=O)CCc1ccccc1O Amb21698290 [0,1,0,0,0,0|2,0,1]=4 124 B16R1.400 CC(CNC(=O)CCc1ccccc1Cl)C Amb10668830 [0,1,0,0,0,0|2,0,1]=4 125 B16R1.400 CC(CNC(=O)CCc1ccccc1F)C Amb16948497 [0,1,0,0,0,0|2,0,1]=4 126 B16R1.400 CC(CNC(=O)NCc1ccccc1C)C Amb16951977 [0,1,0,0,0,0|2,0,1]=4 127 B16R1.400 Cc1ccccc1CCC(=O)NCC(O)=O Amb24777274 [0,1,0,0,0,0|2,0,0]=3 128 B16R1.400 O=C(COc1ccccc1C)NNC(=O)C Amb2552279 [0,1,0,0,0,0|3,0,0]=4 129 B16R1.400 O=C(CSc1ccccc1F)NNC(=O)C Amb253764 [0,1,0,0,0,0|3,0,0]=4 130 B16R1.400 O=C(NCc1ccccc1C)CCC(=O)C Amb16886464 [0,1,0,0,0,0|2,0,0]=3 131 B16R1.400 O=C(NCc1ccccc1C)NCC(=O)O Amb1131029 [0,1,0,0,0,0|2,0,0]=3 132 B16R1.400 O=C(NCc1ccccc1Cl)CCC(=O)C Amb16886471 [0,1,0,0,0,0|2,0,0]=3 133 B16R1.400 O=C(NCc1ccccc1Cl)COC(=O)C Amb2299940 [0,1,0,0,0,0|3,0,0]=4 134 B16R1.400 O=C(NCc1ccccc1F)CCC(=O)C Amb16886469 [0,1,0,0,0,0|2,0,0]=3 135 B16R1.400 OC(=O)CNC(=O)CCc1ccccc1Br Amb18598303 [0,1,0,0,0,0|2,0,0]=3 136 B16R1.400 OC(=O)CNC(=O)\C=C/c1ccccc1C Amb16481030 [0,1,0,0,0,0|2,0,1]=4 137 B16R1.1061 CC(=O)NNC(=O)\C=C\c1ccc(cc1)F Amb2348715 [0,1,0,0,0,0|2,0,1]=4 138 B16R1.1061 CC(CNC(=O)CCc1ccc(cc1)F)C Amb16948496 [0,1,0,0,0,0|2,0,1]=4 139 B16R1.1061 CC(CNC(=O)CCc1ccc(cc1)N)C Amb1903569 [0,1,0,0,0,0|2,0,1]=4 140 B16R1.1061 O=C(CCC(=O)C)NCc1ccc(cc1)Cl Amb16886472 [0,1,0,0,0,0|2,0,0]=3 141 B16R1.1061 O=C(CCC(=O)C)NCc1ccc(cc1)F Amb16886470 [0,1,0,0,0,0|2,0,0]=3 142 B16R1.1061 O=C(CCC(=O)Cl)NCc1ccc(cc1)F Amb17145130 [0,1,0,0,0,0|3,0,0]=4 143 B16R1.1061 O=C(CCC(=O)N)NCc1ccc(cc1)C Amb17143795 [0,1,0,0,0,0|3,0,0]=4 144 B16R1.1061 O=C(CCC(=O)N)NCc1ccc(cc1)F Amb17143990 [0,1,0,0,0,0|3,0,0]=4 145 B16R1.1061 O=C(CCc1ccc(cc1)Cl)NCC(=O)O Amb17144970 [0,1,0,0,0,0|2,0,0]=3 146 B16R1.1061 O=C(COC(=O)C)NCc1ccc(cc1)Cl Amb2303392 [0,1,0,0,0,0|3,0,0]=4 147 B16R1.1061 O=C(COc1ccc(cc1)C)NNC(=O)C Amb2550833 [0,1,0,0,0,0|3,0,0]=4 148 B16R1.1061 O=C(COc1ccc(cc1)F)NCC(=O)O Amb2444268 [0,1,0,0,0,0|3,0,0]=4 149 B16R1.1061 O=C(CSc1ccc(cc1)C)NNC(=O)C Amb155112 [0,1,0,0,0,0|3,0,0]=4 150 B16R1.1061 O=C(NCc1ccc(cc1)C)CCC(=O)C Amb16886466 [0,1,0,0,0,0|2,0,0]=3 151 B16R1.1061 OC(=O)CCC(=O)CCc1ccc(Br)cc1 Amb18688966 [0,1,0,0,0,0|3,0,0]=4 152 B16R1.1061 OC(=O)CNC(=O)CCc1ccc(Br)cc1 Amb18598302 [0,1,0,0,0,0|2,0,0]=3 153 B16R1.1061 OC(=O)CNC(=O)\C=C/c1ccc(cc1)Cl Amb16481029 [0,1,0,0,0,0|2,0,1]=4 154 B16R1.1284 C=C(Br)CNC(=O)C(N)Cc1ccccc1 Amb24780422 [0,1,0,0,0,0|2,0,1]=4 155 B16R1.1284 C=C(Br)CNC(=O)[C@@H](N)Cc1ccccc1 Amb24780409 [0,1,0,0,0,0|2,0,1]=4 156 B16R1.1284 C=C(Cl)CNC(=O)C(N)Cc1ccccc1 Amb24780418 [0,1,0,0,0,0|2,0,1]=4 157 B16R1.1284 C=C(Cl)CNC(=O)[C@@H](N)Cc1ccccc1 Amb24780469 [0,1,0,0,0,0|2,0,1]=4 158 B16R1.1284 CC(C)CNC(=O)C(N)Cc1ccccc1 Amb21958768 [0,1,0,0,0,0|2,0,1]=4 159 B16R1.1284 CC(CNC(=O)N(Cc1ccccc1)C)C Amb16952635 [0,1,0,0,0,0|2,0,1]=4 160 B16R1.1284 CN(C(=O)CCC(=O)C)Cc1ccccc1 Amb16886468 [0,1,0,0,0,0|2,0,0]=3 161 B16R1.1284 CN(Cc1ccccc1)C(=O)NCC(Br)=C Amb17904066 [0,1,0,0,0,0|2,0,1]=4 162 B16R1.1284 NC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 Amb22800654 [0,1,0,0,0,0|2,0,0]=3 163 B16R1.1284 NC(C(=O)NNC(=O)C)Cc1ccccc1 Amb17341975 [0,1,0,0,0,0|2,0,0]=3 164 B16R1.1284 N[C@H](C(=O)NCC(=O)O)Cc1ccccc1 Amb16227186 [0,1,0,0,0,0|2,0,0]=3 165 B16R1.1343 C=C(CNC(=O)OCc1ccccc1)C#N Amb18132249 [0,1,0,0,0,0|1,0,1]=3 166 B16R1.1343 CC(CN)CNC(=O)CCc1ccccc1 Amb24777492 [0,1,0,0,0,0|2,0,1]=4 167 B16R1.1343 CC(CN)CNC(=O)NCc1ccccc1 Amb25238083 [0,1,0,0,0,0|2,0,1]=4 168 B16R1.1343 CCC(=C)CNC(=N)NCc1ccccc1 Amb25349534 [0,1,0,0,0,0|3,0,0]=4 169 B16R1.1343 CCC(=O)CNC(=O)OCc1ccccc1 Amb23555725 [0,1,0,0,0,0|0,0,0]=1 170 B16R1.1343 CCC(=O)NCC(=O)NCc1ccccc1 Amb25093066 [0,1,0,0,0,0|3,0,0]=4 171 B16R1.1343 CCC(C)CNC(=O)NCc1ccccc1 Amb25083627 [0,1,0,0,0,0|2,0,1]=4 172 B16R1.1343 CCC(C)CNC(=O)OCc1ccccc1 Amb24643726 [0,1,0,0,0,0|1,0,1]=3 173 B16R1.1343 CCC(N)CNC(=O)OCc1ccccc1 Amb25349614 [0,1,0,0,0,0|1,0,1]=3 174 B16R1.1343 CCC(O)CNC(=O)OCc1ccccc1 Amb25168453 [0,1,0,0,0,0|0,0,2]=3 175 B16R1.1343 CNC(=O)CCC(=O)NCc1ccccc1 Amb10776697 [0,1,0,0,0,0|2,0,0]=3 176 B16R1.1343 CNC(=O)CNC(=N)NCc1ccccc1 Amb25710817 [0,1,0,0,0,0|2,0,0]=3 177 B16R1.1343 CNC(=O)CNC(=O)CCc1ccccc1 Amb20703390 [0,1,0,0,0,0|1,0,0]=2 178 B16R1.1343 CNC(=O)CNC(=O)CNc1ccccc1 Amb25394107 [0,1,0,0,0,0|2,0,0]=3 179 B16R1.1343 CNC(=O)CNC(=O)NCc1ccccc1 Amb11249777 [0,1,0,0,0,0|1,0,0]=2 180 B16R1.1343 CNC(=O)CNC(=O)OCc1ccccc1 Amb21621597 [0,1,0,0,0,0|0,0,0]=1 181 B16R1.1343 CNC(C)CNC(=O)NCc1ccccc1 Amb25168525 [0,1,0,0,0,0|2,0,1]=4 182 B16R1.1343 COC(=N)CNC(=O)OCc1ccccc1 Amb24629219 [0,1,0,0,0,0|1,0,0]=2 183 B16R1.1343 COC(=O)CCC(=O)NCc1ccccn1 Amb17406036 [0,1,0,0,0,0|3,0,0]=4 184 B16R1.1343 COC(=O)CCC(=O)NCc1cccnc1 Amb17406037 [0,1,0,0,0,0|3,0,0]=4 185 B16R1.1343 COC(=O)CCC(=O)NCc1ccncc1 Amb17406038 [0,1,0,0,0,0|3,0,0]=4 186 B16R1.1343 COC(=O)CCC(=O)OCc1ccccc1 Amb24689339 [0,1,0,0,0,0|1,0,0]=2 187 B16R1.1343 COC(=O)CNC(=O)CCc1ccccc1 Amb1812494 [0,1,0,0,0,0|1,0,0]=2 188 B16R1.1343 COC(=O)CNC(=O)CNc1ccccc1 Amb25393931 [0,1,0,0,0,0|2,0,0]=3 189 B16R1.1343 COC(=O)CNC(=O)COc1ccccc1 Amb2573055 [0,1,0,0,0,0|2,0,0]=3 190 B16R1.1343 COC(=O)CNC(=O)NCc1ccccc1 Amb11264545 [0,1,0,0,0,0|1,0,0]=2 191 B16R1.1343 COC(=O)CNC(=O)\C=C\c1ccccc1 Amb1219873 [0,1,0,0,0,0|1,0,1]=3 192 B16R1.1343 COC(=O)NNC(=S)NCc1ccccc1 Amb2271049 [0,1,0,0,0,0|2,1,0]=4 193 B16R1.1343 COC(C)CNC(=O)NCc1ccccc1 Amb24447453 [0,1,0,0,0,0|1,0,2]=4 194 B16R1.1343 COC(C)CNC(=O)OCc1ccccc1 Amb25375323 [0,1,0,0,0,0|0,0,2]=3 195 B16R1.1343 CSC(C)CNC(=O)NCc1ccccc1 Amb25202505 [0,1,0,0,0,0|1,1,1]=4 196 B16R1.1343 ClCC(=O)NNC(=O)CCc1ccccc1 Amb17348596 [0,1,0,0,0,0|2,0,0]=3 197 B16R1.1343 NC(CF)CCC(=O)OCc1ccccc1 Amb25255523 [0,1,0,0,0,0|2,0,1]=4 198 B16R1.1343 NCC(=O)NCC(=O)OCc1ccccc1 Amb16754163 [0,1,0,0,0,0|2,0,0]=3 199 B16R1.1343 NCC(=O)OCC(=O)OCc1ccccc1 Amb24414867 [0,1,0,0,0,0|2,0,0]=3 200 B16R1.1343 NCC(=S)NCC(=O)OCc1ccccc1 Amb25048508 [0,1,0,0,0,0|2,1,0]=4 201 B16R1.1343 NCC(O)CNC(=O)NCc1ccccc1 Amb24693065 [0,1,0,0,0,0|1,0,2]=4 202 B16R1.1343 NCC(O)CNC(=O)OCc1ccccc1 Amb25795563 [0,1,0,0,0,0|0,0,2]=3 203 B16R1.1343 NNC(=O)CNC(=O)CCc1ccccc1 Amb19869816 [0,1,0,0,0,0|2,0,0]=3 204 B16R1.1343 NNC(=O)CNC(=O)COc1ccccc1 Amb1349349 [0,1,0,0,0,0|3,0,0]=4 205 B16R1.1343 NOC(CNC(=O)CCc1ccccc1)C Amb17141630 [0,1,0,0,0,0|1,0,2]=4 206 B16R1.1343 O=C(CNC(=O)CBr)NCc1ccccc1 Amb25026666 [0,1,0,0,0,0|3,0,0]=4 207 B16R1.1343 O=C(CNC(=O)CCl)NCc1ccccc1 Amb24115201 [0,1,0,0,0,0|3,0,0]=4 208 B16R1.1343 O=C(CNC(=O)CCl)OCc1ccccc1 Amb24388529 [0,1,0,0,0,0|2,0,0]=3 209 B16R1.1343 O=C(COC(=O)CBr)OCc1ccccc1 Amb25334767 [0,1,0,0,0,0|2,0,0]=3 210 B16R1.1343 O=C(NCC(F)C=O)OCc1ccccc1 Amb25092888 [0,1,0,0,0,0|1,0,1]=3 211 B16R1.1343 O=C(NC[C@H](F)C=O)OCc1ccccc1 Amb25369569 [0,1,0,0,0,0|1,0,1]=3 212 B16R1.1343 OCC(O)CNC(=O)OCc1ccccc1 Amb22348079 [0,1,0,0,0,0|0,0,2]=3 213 B16R1.1771 NC(=O)CNS(=O)(=O)CCc1ccccc1 Amb17256044 [0,1,0,0,0,0|3,0,0]=4 214 B16R1.4122 CC(=C)C(=O)NC(=O)NCc1ccccc1 Amb25857471 [0,1,0,0,0,0|2,0,1]=4 215 B16R1.4122 CC(=O)C(C)NC(=O)OCc1ccccc1 Amb23555729 [0,1,0,0,0,0|0,0,0]=1 216 B16R1.4122 CC(=O)N(C)CC(=O)NCc1ccccc1 Amb24720257 [0,1,0,0,0,0|3,0,0]=4 217 B16R1.4122 CC(C(=O)O)NC(=O)CCc1ccccc1 Amb1125963 [0,1,0,0,0,0|2,0,0]=3 218 B16R1.4122 CC(C(=O)O)NC(=O)COc1ccccc1 Amb2469122 [0,1,0,0,0,0|3,0,0]=4 219 B16R1.4122 CC(C(=O)O)NC(=O)NCc1ccccc1 Amb1139301 [0,1,0,0,0,0|2,0,0]=3 220 B16R1.4122 CC(C(=O)O)NC(=O)SCc1ccccc1 Amb17596625 [0,1,0,0,0,0|1,1,0]=3 221 B16R1.4122 CC(C(=O)O)NC(=O)\C=C\c1ccccc1 Amb2370948 [0,1,0,0,0,0|2,0,1]=4 222 B16R1.4122 CC(C)C(C)NC(=O)CCc1ccccc1 Amb23329081 [0,1,0,0,0,0|2,0,1]=4 223 B16R1.4122 CC(C)C(C)NC(=O)NCc1ccccc1 Amb21395808 [0,1,0,0,0,0|2,0,1]=4 224 B16R1.4122 CC(C)C(N)CC(=O)OCc1ccccc1 Amb24596314 [0,1,0,0,0,0|2,0,1]=4 225 B16R1.4122 CC(NC(=O)CCc1ccccc1)C(N)=O Amb21731023 [0,1,0,0,0,0|2,0,0]=3 226 B16R1.4122 CC(NC(=O)COc1ccccc1)C(N)=O Amb20695511 [0,1,0,0,0,0|3,0,0]=4 227 B16R1.4122 CC(NC(=O)CSc1ccccc1)C(N)=O Amb21731046 [0,1,0,0,0,0|3,0,0]=4 228 B16R1.4122 CC(NC(=O)NCc1ccccc1)C(N)=N Amb25724163 [0,1,0,0,0,0|3,0,0]=4 229 B16R1.4122 CC(NC(=O)NCc1ccccc1)C(N)=O Amb25063366 [0,1,0,0,0,0|2,0,0]=3 230 B16R1.4122 CC(NC(=O)NCc1ccccc1)C(N)=S Amb24644498 [0,1,0,0,0,0|2,1,0]=4 231 B16R1.4122 CC(NC(=O)OCc1ccccc1)C(N)=S Amb22496957 [0,1,0,0,0,0|1,1,0]=3 232 B16R1.4122 CC(NC(=O)\C=C\c1ccccc1)C(N)=O Amb20695761 [0,1,0,0,0,0|2,0,1]=4 233 B16R1.4122 C[C@@H](C(=O)N)NC(=O)OCc1ccccc1 Amb10575560 [0,1,0,0,0,0|1,0,0]=2 234 B16R1.4122 C[C@@H](C(=O)O)CC(=O)OCc1ccccc1 Amb10843943 [0,1,0,0,0,0|2,0,0]=3 235 B16R1.4122 C[C@@H](C(=O)O)NC(=O)\C=C\c1ccccc1 Amb1211746 [0,1,0,0,0,0|2,0,1]=4 236 B16R1.4122 C[C@@H](NC(=O)CNc1ccccc1)C(O)=O Amb25393640 [0,1,0,0,0,0|3,0,0]=4 237 B16R1.4122 C[C@@H](NC(=O)COc1ccccc1)C(O)=O Amb19148239 [0,1,0,0,0,0|3,0,0]=4 238 B16R1.4122 C[C@@H](NC(=O)NCc1ccccc1)C(N)=O Amb25362914 [0,1,0,0,0,0|2,0,0]=3 239 B16R1.4122 C[C@@H](NC(=O)NCc1ccccc1)C(O)=O Amb18016323 [0,1,0,0,0,0|2,0,0]=3 240 B16R1.4122 C[C@@H](NC(=O)OCc1ccccc1)C(N)=O Amb22799697 [0,1,0,0,0,0|1,0,0]=2 241 B16R1.4122 C[C@@H](NC(=O)OCc1ccccc1)C(N)=S Amb22746640 [0,1,0,0,0,0|1,1,0]=3 242 B16R1.4122 C[C@H](C(=O)O)CC(=O)OCc1ccccc1 Amb10843940 [0,1,0,0,0,0|2,0,0]=3 243 B16R1.4122 C[C@H](NC(=O)OCc1ccccc1)C(C)N Amb24616066 [0,1,0,0,0,0|1,0,1]=3 244 B16R1.4122 C[C@H](NC(=O)OCc1ccccc1)C(N)=S Amb24430082 [0,1,0,0,0,0|1,1,0]=3 245 B16R1.4122 NC(=O)C(N)NC(=O)OCc1ccccc1 Amb25317676 [0,1,0,0,0,0|1,0,0]=2 246 B16R1.4122 NC(=O)[C@@H](N)CC(=O)OCc1ccccc1 Amb22432208 [0,1,0,0,0,0|2,0,0]=3 247 B16R1.4122 NC(C(=O)O)NC(=O)OCc1ccccc1 Amb10558233 [0,1,0,0,0,0|1,0,0]=2 248 B16R1.4122 NC(C(C)C)NC(=O)OCc1ccccc1 Amb10558228 [0,1,0,0,0,0|1,0,1]=3 249 B16R1.4122 N[C@H](C(=O)N)CC(=O)OCc1ccccc1 Amb16183928 [0,1,0,0,0,0|2,0,0]=3 250 B16R1.4122 N[C@H](CC(=O)NCc1ccccc1)C(O)=O Amb25268403 [0,1,0,0,0,0|3,0,0]=4 251 B16R1.4122 O=C(CC(=C)C(=O)O)OCc1ccccc1 Amb10975817 [0,1,0,0,0,0|2,0,1]=4 252 B16R1.4122 OC(=O)C(O)NC(=O)OCc1ccccc1 Amb22491287 [0,1,0,0,0,0|1,0,0]=2 253 B16R1.4122 OC(C(=O)O)NC(=O)OCc1ccccc1 Amb2438911 [0,1,0,0,0,0|1,0,0]=2 254 B16R1.6944 C=C(CC(O)=O)C(=O)NCc1ccccc1 Amb25103291 [0,1,0,0,0,0|3,0,0]=4 255 B16R1.6944 CC(=C)CN(C)C(=O)NCc1ccccc1 Amb25116819 [0,1,0,0,0,0|2,0,0]=3 256 B16R1.6944 CC(=O)NC(=C)C(=O)NCc1ccccc1 Amb25324181 [0,1,0,0,0,0|3,0,0]=4 257 B16R1.6944 CC(=O)NC(C)C(=O)OCc1ccccc1 Amb21119003 [0,1,0,0,0,0|2,0,0]=3 258 B16R1.6944 CC(=O)NC(O)C(=O)NCc1ccccc1 Amb25706172 [0,1,0,0,0,0|3,0,0]=4 259 B16R1.6944 CC(=O)N[C@@H](C)C(=O)NCc1ccccc1 Amb24073468 [0,1,0,0,0,0|3,0,0]=4 260 B16R1.6944 CC(C)CN(C)C(=O)NCc1ccccc1 Amb24579883 [0,1,0,0,0,0|2,0,1]=4 261 B16R1.6944 CC(C)C[C@@H](N)C(=O)OCc1ccccc1 Amb19295780 [0,1,0,0,0,0|2,0,1]=4 262 B16R1.6944 CC(C)C[C@@H](N)C(=O)OCc1ccccc1 Amb22230599 [0,1,0,0,0,0|2,0,1]=4 263 B16R1.6944 CC(C)C[C@@H](O)C(=O)OCc1ccccc1 Amb24582133 [0,1,0,0,0,0|2,0,1]=4 264 B16R1.6944 CC(C)C[C@H](O)C(=O)OCc1ccccc1 Amb24584124 [0,1,0,0,0,0|2,0,1]=4 265 B16R1.6944 CC(N)CC(N)C(=O)OCc1ccccc1 Amb22503853 [0,1,0,0,0,0|2,0,1]=4 266 B16R1.6944 CC(N)CN(C)C(=O)NCc1ccccc1 Amb25235359 [0,1,0,0,0,0|2,0,1]=4 267 B16R1.6944 CC(N)C[C@@H](N)C(=O)OCc1ccccc1 Amb22503852 [0,1,0,0,0,0|2,0,1]=4 268 B16R1.6944 CC(N)C[C@H](N)C(=O)OCc1ccccc1 Amb22503851 [0,1,0,0,0,0|2,0,1]=4 269 B16R1.6944 CC(O)CN(C)C(=O)OCc1ccccc1 Amb24734219 [0,1,0,0,0,0|0,0,2]=3 270 B16R1.6944 CN(C(=O)CCc1ccccc1)CC(=O)O Amb1127563 [0,1,0,0,0,0|2,0,0]=3 271 B16R1.6944 CN(C(=O)OCc1ccccc1)CC(=O)O Amb1785037 [0,1,0,0,0,0|1,0,0]=2 272 B16R1.6944 CN(CC(N)=O)C(=O)NCc1ccccc1 Amb25207009 [0,1,0,0,0,0|2,0,0]=3 273 B16R1.6944 CN(CC(N)=O)C(=O)OCc1ccccc1 Amb24614353 [0,1,0,0,0,0|1,0,0]=2 274 B16R1.6944 CN(CC(N)=S)C(=O)NCc1ccccc1 Amb25168532 [0,1,0,0,0,0|2,1,0]=4 275 B16R1.6944 NC(=O)C[C@@H](N)C(=O)NCc1ccccc1 Amb24628224 [0,1,0,0,0,0|3,0,0]=4 276 B16R1.6944 NC(=O)C[C@@H](N)C(=O)OCc1ccccc1 Amb25295051 [0,1,0,0,0,0|2,0,0]=3 277 B16R1.6944 NC(=O)C[C@H](N)C(=O)OCc1ccccc1 Amb25177949 [0,1,0,0,0,0|2,0,0]=3 278 B16R1.6944 NC(C(=O)OCc1ccccc1)CC(C)C Amb16761838 [0,1,0,0,0,0|2,0,1]=4 279 B16R1.6944 NC(C(=O)OCc1ccccc1)CC(C)C Amb2228430 [0,1,0,0,0,0|2,0,1]=4 280 B16R1.6944 NC(CC(O)=O)C(=O)NCc1ccccc1 Amb18867199 [0,1,0,0,0,0|3,0,0]=4 281 B16R1.6944 NC(CC(O)=O)C(=O)OCc1ccccc1 Amb24381699 [0,1,0,0,0,0|2,0,0]=3 282 B16R1.6944 NN(CC(O)=O)C(=O)OCc1ccccc1 Amb22234732 [0,1,0,0,0,0|1,0,0]=2 283 B16R1.6944 N[C@H](C(=O)OCc1ccccc1)CC(C)C Amb2404816 [0,1,0,0,0,0|2,0,1]=4 284 B16R1.6944 N[C@H](CC(O)=O)C(=O)OCc1ccccc1 Amb22168415 [0,1,0,0,0,0|2,0,0]=3 285 B16R1.6944 OC(=O)CC(O)C(=O)OCc1ccccc1 Amb24657545 [0,1,0,0,0,0|2,0,0]=3 286 B16R1.7611 C=C(Br)CNC(=O)CC(N)c1ccccc1 Amb24780448 [0,1,0,0,0,0|2,0,1]=4 287 B16R1.7611 C=C(Cl)CNC(=O)CC(N)c1ccccc1 Amb24780433 [0,1,0,0,0,0|2,0,1]=4 288 B16R1.7611 CC(c1ccccc1)NC(=O)CCC(=O)C Amb16886467 [0,1,0,0,0,0|2,0,0]=3 289 B16R1.7611 CC(c1ccccc1)NC(=O)CCC(=O)Cl Amb17144861 [0,1,0,0,0,0|3,0,0]=4 290 B16R1.7611 CC(c1ccccc1)NC(=O)CCC(=O)O Amb1774436 [0,1,0,0,0,0|3,0,0]=4 291 B16R1.7611 CC(c1ccccc1)NC(=O)NCC(C)C Amb10194210 [0,1,0,0,0,0|2,0,1]=4 292 B16R1.7611 CN(c1ccccc1)CC(=O)NCC(=O)O Amb17143891 [0,1,0,0,0,0|3,0,0]=4 293 B16R1.7611 C[C@H](NC(=O)CCC(O)=O)c1ccccc1 Amb22363214 [0,1,0,0,0,0|3,0,0]=4 294 B16R1.11227 CC(CNC(=O)CCc1cccc(c1)F)C Amb16948610 [0,1,0,0,0,0|2,0,1]=4 295 B16R1.11227 CC(CNC(=O)NCc1cccc(c1)C)C Amb11298397 [0,1,0,0,0,0|2,0,1]=4 296 B16R1.11227 CC(CNC(=O)NCc1cccc(c1)Cl)C Amb11265899 [0,1,0,0,0,0|2,0,1]=4 297 B16R1.11227 Cc1cc(CCC(=O)NCC(C)C)ccc1 Amb21187384 [0,1,0,0,0,0|2,0,1]=4 298 B16R1.11227 Cc1cc(CCC(=O)NCC(O)=O)ccc1 Amb24777273 [0,1,0,0,0,0|2,0,0]=3 299 B16R1.11227 O=C(COc1cccc(c1)C)NNC(=O)C Amb2582976 [0,1,0,0,0,0|3,0,0]=4 300 B16R1.11227 O=C(NCc1cccc(c1)Br)CCC(=O)O Amb1840074 [0,1,0,0,0,0|3,0,0]=4 301 B16R1.11227 O=C(NCc1cccc(c1)C)CCC(=O)C Amb16886465 [0,1,0,0,0,0|2,0,0]=3 302 B16R1.11227 O=C(NCc1cccc(c1)C)NCC(=O)O Amb1133538 [0,1,0,0,0,0|2,0,0]=3 303 B16R1.22556 CC(C)(C)CNC(=O)CCc1ccccc1 Amb23155190 [0,1,0,0,0,0|2,0,1]=4 304 B16R1.22556 CC(C)(C)CNC(=O)OCc1ccccc1 Amb24687493 [0,1,0,0,0,0|1,0,1]=3 305 B16R1.22556 CC(C)(C)ONC(=O)OCc1ccccc1 Amb24661570 [0,1,0,0,0,0|2,0,1]=4 306 B16R1.22556 CC(C)(N)CNC(=O)NCc1ccccc1 Amb25397048 [0,1,0,0,0,0|2,0,1]=4 307 B16R1.22556 CC(C)(N)CNC(=O)OCc1ccccc1 Amb22406394 [0,1,0,0,0,0|1,0,1]=3 308 B16R1.22556 CC(C)(N)CNC(=O)OCc1ccccc1 Amb22756831 [0,1,0,0,0,0|1,0,1]=3 309 B16R1.22556 C[Si](C)(C)CNC(=O)OCc1ccccc1 Amb19944643 [0,1,0,0,0,0|1,1,0]=3 310 B16R1.22556 NS(=O)(=O)CCC(=O)OCc1ccccc1 Amb20668094 [0,1,0,0,0,0|3,0,0]=4 311 B16R1.22556 O=C(CCS(=O)(=O)C)NCc1ccccc1 Amb16951850 [0,1,0,0,0,0|3,0,0]=4 312 B16R1.22556 O=C(CCS(=O)(=O)Cl)OCc1ccccc1 Amb20669532 [0,1,0,0,0,0|3,0,0]=4 313 B16R1.22556 O=C(NCC(F)(F)F)OCc1ccccc1 Amb24591294 [0,1,0,0,0,0|2,0,1]=4 314 B16R1.22556 O=C(NCC(O)(C)C)CCc1ccccc1 Amb16785997 [0,1,0,0,0,0|1,0,2]=4 315 B16R1.22556 O=C(NCC(O)(C)C)NCc1ccccc1 Amb16863057 [0,1,0,0,0,0|1,0,2]=4 316 B16R1.22556 O=C(NCC(O)(C)C)OCc1ccccc1 Amb16786029 [0,1,0,0,0,0|0,0,2]=3 317 B16R1.22556 OP(O)(=O)CNC(=O)OCc1ccccc1 Amb25168734 [0,1,0,0,0,0|2,0,0]=3 318 B16R2.132 O=C1CCC(CC1)OCc2ccccc2 Amb17609229 [0,0,0,1,0,0|2,0,1]=4 319 B16R2.132 O=C1CCC(NN1)OCc2ccccc2 Amb25322681 [0,0,0,1,0,0|2,0,1]=4 320 B16R2.317 CC1=NNC(=O)C(Cc2ccccc2)=N1 Amb19403958 [0,0,0,1,0,0|3,0,0]=4 321 B16R2.317 CC1CNC(=O)[C@@H](Cc2ccccc2)N1 Amb18784074 [0,0,0,1,0,0|2,0,1]=4 322 B16R2.317 CC=1CCC(=O)N(Cc2ccccc2)N1 Amb22752113 [0,0,0,1,0,0|3,0,0]=4 323 B16R2.317 O=C/1NCC(=O)N\C1=C\c2ccccc2 Amb2422334 [0,0,0,1,0,0|2,0,1]=4 324 B16R2.317 O=C1CCC(=O)CC1Cc2ccccc2 Amb17595377 [0,0,0,1,0,0|2,0,0]=3 325 B16R2.317 O=C1CNC(=O)C(Cc2ccccc2)N1 Amb24107115 [0,0,0,1,0,0|2,0,0]=3 326 B16R2.317 O=C1CNC(=O)CN1Cc2ccccc2 Amb25171093 [0,0,0,1,0,0|3,0,0]=4 327 B16R2.317 O=C1CNC(=O)[C@@H](Cc2ccccc2)N1 Amb22757066 [0,0,0,1,0,0|2,0,0]=3 328 B16R2.317 OC1CN(Cc2ccccc2)C(=O)NC1 Amb25213571 [0,0,0,1,0,0|1,0,2]=4 329 B16R2.328 OC(=O)C1NC(=O)COc2ccccc21 Amb18780008 [0,0,0,1,0,0|3,0,0]=4 330 B16R2.333 CC(=O)CN1c2ccccc2OCC1=O Amb25750901 [0,0,0,1,0,0|2,0,0]=3 331 B16R2.333 NC(=O)CN1C(=O)COc2c1cccc2 Amb16769410 [0,0,0,1,0,0|3,0,0]=4 332 B16R2.333 NC(=O)CN1c2ccccc2C=CC1=O Amb19508159 [0,0,0,1,0,0|2,0,1]=4 333 B16R2.333 NC(=O)CN1c2ccccc2N=CC1=O Amb19378320 [0,0,0,1,0,0|3,0,0]=4 334 B16R2.333 OC(=O)CN1C(=O)CCc2c1cccc2 Amb1128095 [0,0,0,1,0,0|2,0,0]=3 335 B16R2.333 OC(=O)CN1C(=O)CNc2c1cccc2 Amb17468857 [0,0,0,1,0,0|3,0,0]=4 336 B16R2.333 OC(=O)CN1C(=O)COc2c1cccc2 Amb1211941 [0,0,0,1,0,0|3,0,0]=4 337 B16R2.333 OC(=O)CN1C(=O)CSc2c1cccc2 Amb1215001 [0,0,0,1,0,0|3,0,0]=4 338 B16R2.333 OC(=O)CN1c2ccccc2C=CC1=O Amb18563362 [0,0,0,1,0,0|2,0,1]=4 339 B16R2.333 OC(=O)CN1c2ccccc2N=CC1=O Amb18282823 [0,0,0,1,0,0|3,0,0]=4 340 B16R2.2905 O=C1CC(C(C1)c2ccccc2)C(=O)O Amb1789025 [0,0,0,1,0,0|3,0,0]=4 341 B16R2.2905 OC(=O)C1CC(=O)NC1c2ccccc2 Amb18783372 [0,0,0,1,0,0|3,0,0]=4 342 B16R2.2905 OC(=O)C1NC(=O)CC1c2ccc[n]c2 Amb21965089 [0,0,0,1,0,0|3,0,0]=4 343 B16R2.2905 OC(=O)C1NC(=O)CC1c2cccc[n]2 Amb21965088 [0,0,0,1,0,0|3,0,0]=4 344 B16R2.2905 OC(=O)C1NC(=O)CC1c2ccccc2 Amb18654915 [0,0,0,1,0,0|2,0,0]=3 345 B16R2.3193 C[C@@H]1C[C@H]1NC(=O)OCc2ccccc2 Amb25286846 [0,0,0,1,0,0|1,0,1]=3 346 B16R2.3322 BrC1CN(C1)C(=O)OCc2ccccc2 Amb2383528 [0,0,0,1,0,0|1,0,1]=3 347 B16R2.3322 C=C1CC(C1)C(=O)OCc2ccccc2 Amb22230272 [0,0,0,1,0,0|2,0,0]=3 348 B16R2.3322 C=C1CN(C1)C(=O)OCc2ccccc2 Amb22886989 [0,0,0,1,0,0|1,0,0]=2 349 B16R2.3322 IC1CN(C1)C(=O)OCc2ccccc2 Amb2383529 [0,0,0,1,0,0|1,0,1]=3 350 B16R2.3322 NC1CC(C1)C(=O)OCc2ccccc2 Amb25315112 [0,0,0,1,0,0|2,0,1]=4 351 B16R2.3322 NC1CN(C1)C(=O)NCc2ccccc2 Amb25171701 [0,0,0,1,0,0|2,0,1]=4 352 B16R2.3322 NC1CN(C1)C(=O)OCc2ccccc2 Amb20241005 [0,0,0,1,0,0|1,0,1]=3 353 B16R2.3322 NC1CN(C1)C(=O)OCc2ccccc2 Amb22499139 [0,0,0,1,0,0|1,0,1]=3 354 B16R2.3322 NC1CN(C1)C(=O)OCc2ccccc2 Amb2383704 [0,0,0,1,0,0|1,0,1]=3 355 B16R2.3322 N[C@@H]1C[C@@H](C1)C(=O)OCc2ccccc2 Amb25368718 [0,0,0,1,0,0|2,0,1]=4 356 B16R2.3322 O=C(OCc1ccccc1)C2CC(F)C2 Amb24676873 [0,0,0,1,0,0|2,0,1]=4 357 B16R2.3322 O=C(OCc1ccccc1)N2CC(F)C2 Amb25289173 [0,0,0,1,0,0|1,0,1]=3 358 B16R2.3322 O=C1CC(C1)C(=O)OCc2ccccc2 Amb19892421 [0,0,0,1,0,0|1,0,0]=2 359 B16R2.3322 O=C1C[C@@H](N1)C(=O)OCc2ccccc2 Amb22745191 [0,0,0,1,0,0|2,0,0]=3 360 B16R2.3322 OC1CC(C1)C(=O)OCc2ccccc2 Amb19958377 [0,0,0,1,0,0|1,0,2]=4 361 B16R2.3322 OC1CN(C1)C(=O)NCc2ccccc2 Amb25171740 [0,0,0,1,0,0|1,0,2]=4 362 B16R2.3322 O[C@@H]1C[C@H](C1)C(=O)OCc2ccccc2 Amb24503599 [0,0,0,1,0,0|1,0,2]=4 363 B16R2.4042 CC(=O)OC1C(NC1=O)c2ccccc2 Amb22546468 [0,0,0,1,0,0|3,0,0]=4 364 B16R2.4042 CC(=O)O[C@@H]1[C@@H](NC1=O)c2ccccc2 Amb22747036 [0,0,0,1,0,0|3,0,0]=4 365 B16R2.4050 NC(=O)[C@H]1CC(=O)N1Cc2ccccc2 Amb25840940 [0,0,0,1,0,0|3,0,0]=4 366 B16R2.4050 OC(=O)C1CC(=O)N1Cc2ccccc2 Amb21959291 [0,0,0,1,0,0|3,0,0]=4 367 B16R2.4050 OC(=O)[C@@H]1NC(=O)C1Cc2ccccc2 Amb24273576 [0,0,0,1,0,0|2,0,0]=3 368 B16R2.4050 OC(=O)[C@H]1CC(=O)N1Cc2ccccc2 Amb25790617 [0,0,0,1,0,0|3,0,0]=4 369 B16R2.12060 CC1(C)CNC(=O)N1Cc2ccccc2 Amb21927463 [0,0,0,1,0,0|2,0,1]=4 370 B16R2.44153 O=C(CCC1CC1)OCc2ccccc2 Amb24716943 [0,0,0,1,0,0|2,0,1]=4 371 B16R2.44153 O=C(CCc1ccccc1)NCC2CO2 Amb23557269 [0,0,0,1,0,0|1,0,2]=4 372 B16R2.44153 O=C(NCC1CC1)CCc2ccccc2 Amb15707561 [0,0,0,1,0,0|2,0,1]=4 373 B16R2.44153 O=C(NCC1CC1)OCc2ccccc2 Amb24453358 [0,0,0,1,0,0|1,0,1]=3 374 B16R2.44153 O=C(NCC1CO1)OCc2ccccc2 Amb17933231 [0,0,0,1,0,0|0,0,2]=3 375 B16R2.44153 O=C(NC[C@@H]1CO1)OCc2ccccc2 Amb25758776 [0,0,0,1,0,0|0,0,2]=3 376 B14R1.423 CC(=C)CCC(=O)Nc1ccccc1 Amb24434914 [0,0,0,0,1,0|3,0,0]=4 377 B14R1.423 CC(=C)CNC(=O)Nc1ccccc1 Amb24539301 [0,0,0,0,1,0|2,0,0]=3 378 B14R1.423 CC(=N)NNC(=O)Nc1ccccc1 Amb25123945 [0,0,0,0,1,0|3,0,0]=4 379 B14R1.423 CC(=O)CCC(=O)Nc1cc[n]cc1 Amb25322025 [0,0,0,0,1,0|3,0,0]=4 380 B14R1.423 CC(=O)CNC(=O)Nc1cccc[n]1 Amb23458782 [0,0,0,0,1,0|2,0,0]=3 381 B14R1.423 CC(=O)COC(=O)Cc1ccccc1 Amb24084925 [0,0,0,0,1,0|1,0,0]=2 382 B14R1.423 CC(=O)O\N=C(/N)\Cc1ccccc1 Amb23247777 [0,0,0,0,1,0|2,0,1]=4 383 B14R1.423 CC(C)=CNC(=O)Nc1ccccc1 Amb24336663 [0,0,0,0,1,0|2,0,1]=4 384 B14R1.423 CC(C)=NOC(=O)Oc1ccccc1 Amb22472590 [0,0,0,0,1,0|3,0,0]=4 385 B14R1.423 CC(CNC(=O)Nc1ccccc1)C Amb1233725 [0,0,0,0,1,0|2,0,1]=4 386 B14R1.423 CC(N)CNC(=O)Nc1ccccc1 Amb18112464 [0,0,0,0,1,0|2,0,1]=4 387 B14R1.423 CN(Cc1ccccc1)CCC(=O)C Amb17401563 [0,0,0,0,1,0|3,0,0]=4 388 B14R1.423 NC(=N)CNC(=O)Nc1ccccc1 Amb25786904 [0,0,0,0,1,0|3,0,0]=4 389 B14R1.423 NC(=O)CNC(=N)Nc1ccccc1 Amb19073842 [0,0,0,0,1,0|3,0,0]=4 390 B14R1.423 NC(=O)CNC(=S)Nc1ccccc1 Amb24418015 [0,0,0,0,1,0|2,1,0]=4 391 B14R1.423 NC(=O)ONC(=O)Nc1ccccc1 Amb25360830 [0,0,0,0,1,0|3,0,0]=4 392 B14R1.423 O=C(Cc1ccccc1)CC=C(C)C Amb17594894 [0,0,0,0,1,0|2,0,1]=4 393 B14R1.423 O=C(Cc1ccccc1)NCC(=O)O Amb1218287 [0,0,0,0,1,0|1,0,0]=2 394 B14R1.423 O=C(Cc1ccccc1)NNC([S-])=S Amb22471703 [0,0,0,0,1,0|2,1,0]=4 395 B14R1.423 O=C(Nc1ccccc1)CCC(=O)Cl Amb17143518 [0,0,0,0,1,0|3,0,0]=4 396 B14R1.423 O=C(Nc1ccccc1)CCC(=O)N Amb17143108 [0,0,0,0,1,0|3,0,0]=4 397 B14R1.423 O=C(Nc1ccccc1)COC(=O)C Amb1210678 [0,0,0,0,1,0|3,0,0]=4 398 B14R1.423 O=C(Nc1ccccc1)NCC(=C)Br Amb11589676 [0,0,0,0,1,0|2,0,1]=4 399 B14R1.423 O=C(Nc1ccccc1)NCC(=O)O Amb1196555 [0,0,0,0,1,0|2,0,0]=3 400 B14R1.423 OC(=O)CNC(=O)Sc1ccccc1 Amb24065204 [0,0,0,0,1,0|1,1,0]=3 401 B14R1.423 OC(=O)CSC(=S)Cc1ccccc1 Amb23483000 [0,0,0,0,1,0|2,1,0]=4 402 B14R1.423 S=C(Nc1ccccc1)NCC(=O)O Amb2436445 [0,0,0,0,1,0|2,1,0]=4 403 B14R1.818 CC(=CC(C)=O)NCc1ccccc1 Amb24079060 [0,0,0,0,1,0|2,0,1]=4 404 B14R1.818 CC(=N)NC(=O)OCc1ccccc1 Amb24410079 [0,0,0,0,1,0|1,0,0]=2 405 B14R1.818 CC(=O)CC(=O)\C=C\c1ccccc1 Amb17594879 [0,0,0,0,1,0|1,0,1]=3 406 B14R1.818 CC(=O)CC(=S)NCc1ccccc1 Amb24451576 [0,0,0,0,1,0|1,1,0]=3 407 B14R1.818 CC(=O)CC(O)OCc1ccccc1 Amb25802890 [0,0,0,0,1,0|0,0,2]=3 408 B14R1.818 CC(=O)NC(=C)CCc1ccccc1 Amb24741052 [0,0,0,0,1,0|2,0,0]=3 409 B14R1.818 CC(=O)NC(=N)NCc1ccccc1 Amb25351673 [0,0,0,0,1,0|2,0,0]=3 410 B14R1.818 CC(=O)NC(=O)CNc1ccccc1 Amb25814083 [0,0,0,0,1,0|2,0,0]=3 411 B14R1.818 CC(=O)NC(=O)OCc1ccccc1 Amb24506532 [0,0,0,0,1,0|0,0,0]=1 412 B14R1.818 CC(=O)NC(=O)SCc1ccccc1 Amb24639120 [0,0,0,0,1,0|0,1,0]=2 413 B14R1.818 CC(=O)NC(=S)NNc1ccccc1 Amb2054198 [0,0,0,0,1,0|2,1,0]=4 414 B14R1.818 CC(=O)[CH-]C(=O)C=Cc1ccccc1 Amb22486320 [0,0,0,0,1,0|1,0,2]=4 415 B14R1.818 CC(=O)[CH-]C(=O)NCc1ccccc1 Amb22445976 [0,0,0,0,1,0|1,0,1]=3 416 B14R1.818 CC(C)=CC(=O)OCc1ccccc1 Amb25181986 [0,0,0,0,1,0|1,0,1]=3 417 B14R1.818 CC(C)NC(=O)OCc1ccccc1 Amb22460564 [0,0,0,0,1,0|1,0,1]=3 418 B14R1.818 CC(C)OC(=O)OCc1ccccc1 Amb25185793 [0,0,0,0,1,0|2,0,1]=4 419 B14R1.818 CC(CC(N)=O)OCc1ccccc1 Amb25249681 [0,0,0,0,1,0|2,0,1]=4 420 B14R1.818 CC(Cl)OC(=O)OCc1ccccc1 Amb25202460 [0,0,0,0,1,0|2,0,1]=4 421 B14R1.818 CC(N)CC(=O)NCc1ccccc1 Amb19004106 [0,0,0,0,1,0|2,0,1]=4 422 B14R1.818 CC(N)CC(=O)OCc1ccccc1 Amb19042037 [0,0,0,0,1,0|1,0,1]=3 423 B14R1.818 CC(NC(=O)CCc1ccccc1)C Amb1835404 [0,0,0,0,1,0|2,0,1]=4 424 B14R1.818 CC(O)CC(=O)OCc1ccccc1 Amb25683507 [0,0,0,0,1,0|0,0,2]=3 425 B14R1.818 CC(S)CC(=O)NCc1ccccc1 Amb24419856 [0,0,0,0,1,0|1,1,1]=4 426 B14R1.818 CN(C)CC(=O)NCc1ccccc1 Amb17827025 [0,0,0,0,1,0|3,0,0]=4 427 B14R1.818 CN(C)NC(=O)NCc1ccccc1 Amb24688742 [0,0,0,0,1,0|3,0,0]=4 428 B14R1.818 CN(N)CC(=O)OCc1ccccc1 Amb18651918 [0,0,0,0,1,0|2,0,0]=3 429 B14R1.818 C[C@@H](CC(N)=O)OCc1ccccc1 Amb24498301 [0,0,0,0,1,0|2,0,1]=4 430 B14R1.818 C[C@@H](CC(O)=O)OCc1ccccc1 Amb24335959 [0,0,0,0,1,0|2,0,1]=4 431 B14R1.818 C[C@@H](N)NC(=O)OCc1ccccc1 Amb25794194 [0,0,0,0,1,0|1,0,1]=3 432 B14R1.818 C[C@@H](O)CC(=O)NCc1ccccc1 Amb24659273 [0,0,0,0,1,0|1,0,2]=4 433 B14R1.818 C[C@H](O)CC(=O)NCc1ccccc1 Amb24410941 [0,0,0,0,1,0|1,0,2]=4 434 B14R1.818 C[C@H](O)CC(=O)OCc1ccccc1 Amb24473364 [0,0,0,0,1,0|0,0,2]=3 435 B14R1.818 C\C(\N)=C\C(=O)OCc1ccccc1 Amb22224951 [0,0,0,0,1,0|1,0,1]=3 436 B14R1.818 N=C(CC(O)=O)NCc1ccccc1 Amb24366621 [0,0,0,0,1,0|3,0,0]=4 437 B14R1.818 NC(=N)CC(=O)NCc1ccccc1 Amb22913288 [0,0,0,0,1,0|3,0,0]=4 438 B14R1.818 NC(=N)NC(=O)NCc1ccccc1 Amb24418755 [0,0,0,0,1,0|3,0,0]=4 439 B14R1.818 NC(=N)NC(=O)OCc1ccccc1 Amb22167137 [0,0,0,0,1,0|2,0,0]=3 440 B14R1.818 NC(=O)CC(=N)NCc1ccccc1 Amb24392315 [0,0,0,0,1,0|3,0,0]=4 441 B14R1.818 NC(=O)CC(=O)NCc1ccccc1 Amb24433950 [0,0,0,0,1,0|2,0,0]=3 442 B14R1.818 NC(=O)NC(=O)CCc1ccccc1 Amb24335936 [0,0,0,0,1,0|2,0,0]=3 443 B14R1.818 NC(=O)NC(=O)COc1ccccc1 Amb22446938 [0,0,0,0,1,0|3,0,0]=4 444 B14R1.818 NC(=O)NC(=O)NCc1ccccc1 Amb24710299 [0,0,0,0,1,0|2,0,0]=3 445 B14R1.818 NC(=O)NC(=O)\C=C\c1ccccc1 Amb25291849 [0,0,0,0,1,0|2,0,1]=4 446 B14R1.818 NC(=O)NC(=O)\N=C\c1ccccc1 Amb24519165 [0,0,0,0,1,0|2,0,1]=4 447 B14R1.818 NC(=O)NC(=S)NCc1ccccc1 Amb25309579 [0,0,0,0,1,0|2,1,0]=4 448 B14R1.818 NC(=S)CC(=O)OCc1ccccc1 Amb25114010 [0,0,0,0,1,0|1,1,0]=3 449 B14R1.818 O=C(C=C(C)C)NCc1ccccc1 Amb2573638 [0,0,0,0,1,0|2,0,1]=4 450 B14R1.818 O=C(CC(=O)C)NCc1ccccc1 Amb1034892 [0,0,0,0,1,0|1,0,0]=2 451 B14R1.818 O=C(CC(=O)Cl)NCc1ccccc1 Amb24347370 [0,0,0,0,1,0|2,0,0]=3 452 B14R1.818 O=C(CC(=O)Cl)OCc1ccccc1 Amb25123154 [0,0,0,0,1,0|1,0,0]=2 453 B14R1.818 O=C(CC(=O)O)CCc1ccccc1 Amb17235338 [0,0,0,0,1,0|2,0,0]=3 454 B14R1.818 O=C(CC(=O)O)NCc1ccccc1 Amb17401704 [0,0,0,0,1,0|2,0,0]=3 455 B14R1.818 O=C(CC(=O)O)NCc1ccccn1 Amb17401842 [0,0,0,0,1,0|3,0,0]=4 456 B14R1.818 O=C(CC(=O)O)NCc1cccnc1 Amb17401843 [0,0,0,0,1,0|3,0,0]=4 457 B14R1.818 O=C(CC(=O)O)NCc1ccncc1 Amb17401844 [0,0,0,0,1,0|3,0,0]=4 458 B14R1.818 O=C(CC(=S)N)NCc1ccccc1 Amb1208405 [0,0,0,0,1,0|2,1,0]=4 459 B14R1.818 O=C(NC(=O)C)CSc1ccccn1 Amb2231041 [0,0,0,0,1,0|3,0,0]=4 460 B14R1.818 O=C(NC(=O)N)CSc1ccccc1 Amb2270478 [0,0,0,0,1,0|3,0,0]=4 461 B14R1.818 OS(=O)CC(=O)OCc1ccccc1 Amb25374475 [0,0,0,0,1,0|2,0,0]=3 462 B14R1.818 S=C(NC(=O)C)NCc1ccccc1 Amb2054418 [0,0,0,0,1,0|1,1,0]=3 463 B14R1.4526 O=C(NCc1ccco1)NCC(=O)O Amb1132491 [0,0,0,0,1,0|3,0,0]=4 464 B14R1.4526 OC(=O)CNC(=O)CCc1c[s]cc1 Amb25387620 [0,0,0,0,1,0|3,0,0]=4 465 B16R1.608 C=C(Cl)CNCC(=O)NCc1ccccc1 Amb25094718 [0,0,0,0,0,1|2,0,1]=4 466 B16R1.608 CC(=C)CCNC(=O)OCc1ccccc1 Amb25273316 [0,0,0,0,0,1|1,0,0]=2 467 B16R1.608 CC(=C)CNCC(=O)NCc1ccccc1 Amb25754941 [0,0,0,0,0,1|2,0,0]=3 468 B16R1.608 CC(=C)CONC(=O)OCc1ccccc1 Amb24539108 [0,0,0,0,0,1|1,0,0]=2 469 B16R1.608 CC(=O)CCCC(=O)OCc1ccccc1 Amb25116035 [0,0,0,0,0,1|1,0,0]=2 470 B16R1.608 CC(=O)NCCC(=O)OCc1cccc[n]1 Amb21130572 [0,0,0,0,0,1|2,0,0]=3 471 B16R1.608 CC(=O)N\C=C\C(=O)NCc1ccccc1 Amb24566104 [0,0,0,0,0,1|2,0,1]=4 472 B16R1.608 CC(=O)N\C=C\C(=O)OCc1ccccc1 Amb24548900 [0,0,0,0,0,1|1,0,1]=3 473 B16R1.608 CC(C)CNCC(=O)OCc1ccccc1 Amb24732237 [0,0,0,0,0,1|1,0,1]=3 474 B16R1.608 CC(C)NCCC(=O)OCc1ccccc1 Amb24399475 [0,0,0,0,0,1|2,0,1]=4 475 B16R1.608 CC(C)\C=C\NC(=O)OCc1ccccc1 Amb25218891 [0,0,0,0,0,1|1,0,2]=4 476 B16R1.608 CC(CCNC(=O)NCc1ccccc1)C Amb16800199 [0,0,0,0,0,1|2,0,1]=4 477 B16R1.608 CC(N)CCNC(=O)OCc1ccccc1 Amb22754262 [0,0,0,0,0,1|1,0,1]=3 478 B16R1.608 CC(O)CCNC(=O)NCc1ccccc1 Amb25708920 [0,0,0,0,0,1|1,0,2]=4 479 B16R1.608 CC(O)CCNC(=O)OCc1ccccc1 Amb25287766 [0,0,0,0,0,1|0,0,2]=3 480 B16R1.608 CC(OCNC(=O)OCc1ccccc1)C Amb10066980 [0,0,0,0,0,1|1,0,1]=3 481 B16R1.608 CN(C)CCNC(=O)OCc1ccccc1 Amb25226008 [0,0,0,0,0,1|2,0,0]=3 482 B16R1.608 CN(CCNC(=O)NCc1ccccc1)C Amb16864521 [0,0,0,0,0,1|3,0,0]=4 483 B16R1.608 CS(=O)CCNC(=O)NCc1ccccc1 Amb25241479 [0,0,0,0,0,1|2,0,0]=3 484 B16R1.608 C[C@@H](N)CCNC(=O)OCc1ccccc1 Amb22831778 [0,0,0,0,0,1|1,0,1]=3 485 B16R1.608 C[C@@H](O)CNCC(=O)NCc1ccccc1 Amb24405550 [0,0,0,0,0,1|1,0,2]=4 486 B16R1.608 C[C@H](O)CNCC(=O)NCc1ccccc1 Amb24643687 [0,0,0,0,0,1|1,0,2]=4 487 B16R1.608 NC(=N)CCNC(=O)OCc1ccccc1 Amb25830012 [0,0,0,0,0,1|2,0,0]=3 488 B16R1.608 NC(=O)CCNC(=O)NCc1ccccc1 Amb21415134 [0,0,0,0,0,1|2,0,0]=3 489 B16R1.608 NC(=S)CCNC(=O)NCc1ccccc1 Amb25337905 [0,0,0,0,0,1|2,1,0]=4 490 B16R1.608 O=C(COc1ccccc1)NCCC(=O)C Amb17102908 [0,0,0,0,0,1|2,0,0]=3 491 B16R1.608 O=C(COc1ccccc1)NCCC(=O)N Amb17245380 [0,0,0,0,0,1|3,0,0]=4 492 B16R1.608 O=C(NCCC(=O)C)CCc1ccccc1 Amb17102907 [0,0,0,0,0,1|1,0,0]=2 493 B16R1.608 O=C(NCCC(=O)N)CCc1ccccc1 Amb17244287 [0,0,0,0,0,1|2,0,0]=3 494 B16R1.608 O=C(NCCC(=O)O)CCc1ccccc1 Amb1137001 [0,0,0,0,0,1|2,0,0]=3 495 B16R1.608 O=C(NCCC(=S)N)CCc1ccccc1 Amb17253235 [0,0,0,0,0,1|2,1,0]=4 496 B16R1.608 O=C(NCc1ccccc1)CCCC(=O)O Amb1801774 [0,0,0,0,0,1|3,0,0]=4 497 B16R1.608 O=C(NCc1ccccc1)COCC(=O)O Amb1888829 [0,0,0,0,0,1|3,0,0]=4 498 B16R1.608 O=C(NCc1ccccc1)CSCC(=O)O Amb2431011 [0,0,0,0,0,1|3,0,0]=4 499 B16R1.608 O=C(NCc1ccccn1)CCNC(=O)C Amb16954004 [0,0,0,0,0,1|3,0,0]=4 500 B16R1.608 O=C(NOCC(=O)O)OCc1ccccc1 Amb10575958 [0,0,0,0,0,1|1,0,0]=2 501 B16R1.608 O=C(NOCC(F)F)OCc1ccccc1 Amb22897050 [0,0,0,0,0,1|2,0,1]=4 502 B16R1.608 O=C(\C=C\c1ccccc1)NCCC(=O)O Amb1211750 [0,0,0,0,0,1|2,0,1]=4 503 B16R1.608 OB(CCNC(=O)OCc1ccccc1)O Amb13890568 [0,0,0,0,0,1|2,0,1]=4 504 B16R1.608 OC(=O)CCCC(=O)CCc1ccccc1 Amb22465303 [0,0,0,0,0,1|3,0,0]=4 505 B16R1.608 OC(=O)CCCC(=O)OCc1ccccc1 Amb21982522 [0,0,0,0,0,1|2,0,0]=3 506 B16R1.608 OC(=O)CNNC(=O)COc1ccccc1 Amb22364283 [0,0,0,0,0,1|3,0,0]=4 507 B16R1.608 OC(=O)CNNC(=O)OCc1ccccc1 Amb25709238 [0,0,0,0,0,1|1,0,0]=2 508 B16R1.608 OC(=O)COCC(=O)OCc1ccccc1 Amb22233368 [0,0,0,0,0,1|2,0,0]=3 509 B16R1.608 OC(=O)CONC(=O)NCc1ccccc1 Amb25085480 [0,0,0,0,0,1|2,0,0]=3 510 B16R1.608 OC(=O)CONC(=S)NCc1ccccc1 Amb25275678 [0,0,0,0,0,1|2,1,0]=4 511 B16R1.608 OC(=O)\C=C\NC(=O)NCc1ccccc1 Amb22960487 [0,0,0,0,0,1|2,0,1]=4 512 B16R1.18213 C=C(Br)CNC(=O)COCc1ccccc1 Amb24518000 [0,0,0,0,0,1|1,0,1]=3 513 B16R1.18213 C=C(Cl)CNC(=O)COCc1ccccc1 Amb25168413 [0,0,0,0,0,1|1,0,1]=3 514 B16R1.18213 CC(=C)CCC(=O)COCc1ccccc1 Amb24651824 [0,0,0,0,0,1|2,0,0]=3 515 B16R1.18213 CC(=C)CNC(=O)COCc1ccccc1 Amb25168474 [0,0,0,0,0,1|1,0,0]=2 516 B16R1.18213 CC(=O)NNC(=O)CNCc1ccccc1 Amb25822030 [0,0,0,0,0,1|2,0,0]=3 517 B16R1.18213 CC(C)CCC(=O)NOCc1ccccc1 Amb21388024 [0,0,0,0,0,1|2,0,1]=4 518 B16R1.18213 CC(C)CNC(=N)COCc1ccccc1 Amb25216725 [0,0,0,0,0,1|2,0,1]=4 519 B16R1.18213 CC(C)CNC(=O)COCc1ccccc1 Amb25273347 [0,0,0,0,0,1|1,0,1]=3 520 B16R1.18213 CC(C)CNC(=O)NOCc1ccccc1 Amb20861631 [0,0,0,0,0,1|1,0,1]=3 521 B16R1.18213 CC(C)ONC(=O)COCc1ccccc1 Amb24632089 [0,0,0,0,0,1|2,0,1]=4 522 B16R1.18213 CC(CNC(=O)CCCc1ccccc1)C Amb1773951 [0,0,0,0,0,1|2,0,1]=4 523 B16R1.18213 CC(CNC(=O)CCNc1ccccc1)C Amb15708573 [0,0,0,0,0,1|2,0,1]=4 524 B16R1.18213 CC(CNC(=O)NCCc1ccccc1)C Amb16954469 [0,0,0,0,0,1|2,0,1]=4 525 B16R1.18213 CC(CN\C(=N/OCc1ccccc1)\C)C Amb10574512 [0,0,0,0,0,1|2,0,1]=4 526 B16R1.18213 CC(COCc1ccccc1)NCC(O)=O Amb25242256 [0,0,0,0,0,1|2,0,1]=4 527 B16R1.18213 C[C@@H](O)CNC(=O)COCc1ccccc1 Amb25168379 [0,0,0,0,0,1|0,0,2]=3 528 B16R1.18213 O=C(CCC(=O)C)NCCc1ccccc1 Amb16886476 [0,0,0,0,0,1|2,0,0]=3 529 B16R1.18213 O=C(CCC(=O)N)NCCc1ccccc1 Amb17143785 [0,0,0,0,0,1|3,0,0]=4 530 B16R1.18213 O=C(CCC(=O)O)NCCc1ccccc1 Amb1783860 [0,0,0,0,0,1|3,0,0]=4 531 B16R1.18213 O=C(CCC(=O)[O-])NCCc1ccccc1 Amb1011437 [0,0,0,0,0,1|3,0,0]=4 532 B16R1.18213 O=C(NCC(=O)N)CCOc1ccccc1 Amb17245377 [0,0,0,0,0,1|2,0,0]=3 533 B16R1.18213 O=C(NCC(=S)N)CCOc1ccccc1 Amb17254302 [0,0,0,0,0,1|2,1,0]=4 534 B16R1.18213 OC(=O)CCC(=O)COCc1ccccc1 Amb24595167 [0,0,0,0,0,1|2,0,0]=3 535 B16R1.18213 OC(=O)CNC(=O)CNCc1ccccc1 Amb18118583 [0,0,0,0,0,1|2,0,0]=3 536 B16R1.18213 OC(=O)CNC(=O)CSCc1cccc[n]1 Amb24782795 [0,0,0,0,0,1|2,1,0]=4 537 B16R1.18213 OC(=O)\C=C/C(=O)NOCc1ccccc1 Amb24515926 [0,0,0,0,0,1|2,0,1]=4 538 B16R1.18213 S=C(NNC(=O)C)NCCc1ccccc1 Amb2246199 [0,0,0,0,0,1|2,1,0]=4 539 B13R1.28 O=CCOCOCc1ccccc1 Amb24663078 [2,0,0,0,0,0|1,0,1]=4 540 B13R1.42 C=CCC(=O)OCc1ccccc1 Amb25851392 [2,0,0,0,0,0|0,0,1]=3 541 B13R1.42 C=CNC(=O)NCc1ccccc1 Amb25110137 [2,0,0,0,0,0|1,0,1]=4 542 B13R1.42 C=CNC(=O)OCc1ccccc1 Amb19958731 [2,0,0,0,0,0|0,0,1]=3 543 B13R1.42 CC(CC=O)OCc1ccccc1 Amb18128218 [2,0,0,0,0,0|1,0,1]=4 544 B13R1.42 CCNC(=N)NCc1ccccc1 Amb18804667 [2,0,0,0,0,0|2,0,0]=4 545 B13R1.42 CCNC(=O)NCc1c[n]ccc1 Amb25208970 [2,0,0,0,0,0|2,0,0]=4 546 B13R1.42 CCNC(=O)NCc1cc[n]cc1 Amb24383174 [2,0,0,0,0,0|2,0,0]=4 547 B13R1.42 CCNC(=O)NCc1cccc[n]1 Amb25240069 [2,0,0,0,0,0|2,0,0]=4 548 B13R1.42 CCNC(=O)NCc1ccccc1 Amb2236980 [2,0,0,0,0,0|1,0,0]=3 549 B13R1.42 CCNC(=O)NNc1ccccc1 Amb24710661 [2,0,0,0,0,0|2,0,0]=4 550 B13R1.42 CCNC(=O)OCc1ccccc1 Amb24375743 [2,0,0,0,0,0|0,0,0]=2 551 B13R1.42 CNCC(=O)NCc1ccccc1 Amb21959039 [2,0,0,0,0,0|2,0,0]=4 552 B13R1.42 CNCC(=O)OCc1ccccc1 Amb18809175 [2,0,0,0,0,0|1,0,0]=3 553 B13R1.42 CNCC(=O)OCc1ccccc1 Amb21929370 [2,0,0,0,0,0|1,0,0]=3 554 B13R1.42 CNCC(=O)OCc1ccccc1 Amb22002169 [2,0,0,0,0,0|1,0,0]=3 555 B13R1.42 COCC(=O)CCc1ccccc1 Amb10563175 [2,0,0,0,0,0|2,0,0]=4 556 B13R1.42 CONC(=O)CCc1ccccc1 Amb10705059 [2,0,0,0,0,0|2,0,0]=4 557 B13R1.42 CONC(=O)NCc1ccccc1 Amb16969954 [2,0,0,0,0,0|2,0,0]=4 558 B13R1.42 CONC(=O)OCc1ccccc1 Amb16969956 [2,0,0,0,0,0|1,0,0]=3 559 B13R1.42 CSCC(=O)NCc1ccccc1 Amb19382179 [2,0,0,0,0,0|2,0,0]=4 560 B13R1.42 C[C@@H](CC=O)OCc1ccccc1 Amb24490409 [2,0,0,0,0,0|1,0,1]=4 561 B13R1.42 C\C=C/C(=O)NCc1ccccc1 Amb24432668 [2,0,0,0,0,0|1,0,1]=4 562 B13R1.42 C\C=C\C(=O)NCc1ccccc1 Amb1196143 [2,0,0,0,0,0|1,0,1]=4 563 B13R1.42 C\C=C\C(=O)OCc1ccccc1 Amb10572342 [2,0,0,0,0,0|0,0,1]=3 564 B13R1.42 N#CNC(=O)OCc1ccccc1 Amb25700802 [2,0,0,0,0,0|1,0,1]=4 565 B13R1.42 NCCC(=O)OCc1ccccc1 Amb15690782 [2,0,0,0,0,0|1,0,1]=4 566 B13R1.42 NCCC(=O)OCc1ccccc1 Amb20626398 [2,0,0,0,0,0|1,0,1]=4 567 B13R1.42 NCNC(=O)OCc1ccccc1 Amb10558226 [2,0,0,0,0,0|1,0,0]=3 568 B13R1.42 NNCC(=O)OCc1ccccc1 Amb25855211 [2,0,0,0,0,0|2,0,0]=4 569 B13R1.42 NOCC(=O)OCc1ccccc1 Amb25815887 [2,0,0,0,0,0|2,0,0]=4 570 B13R1.42 O=C(CC=O)OCc1ccccc1 Amb18128117 [2,0,0,0,0,0|0,0,0]=2 571 B13R1.42 O=C(CCBr)OCc1ccccc1 Amb22232000 [2,0,0,0,0,0|1,0,1]=4 572 B13R1.42 O=C(CCF)OCc1ccccc1 Amb22497154 [2,0,0,0,0,0|1,0,1]=4 573 B13R1.42 O=C(CCS)OCc1ccccc1 Amb24495479 [2,0,0,0,0,0|0,1,1]=4 574 B13R1.42 O=C(CCc1ccccc1)NC=O Amb25267494 [2,0,0,0,0,0|1,0,0]=3 575 B13R1.42 O=C(CSc1ccccc1)NC=O Amb24096614 [2,0,0,0,0,0|2,0,0]=4 576 B13R1.42 O=C(NCCl)OCc1ccccc1 Amb25783886 [2,0,0,0,0,0|1,0,0]=3 577 B13R1.42 OCCC(=O)OCc1ccccc1 Amb17609079 [2,0,0,0,0,0|0,0,2]=4 578 B13R1.42 OCNC(=O)OCc1ccccc1 Amb10066979 [2,0,0,0,0,0|0,0,1]=3 579 B15R1.78 BrCCCNC(=O)OCc1ccccc1 Amb10608829 [1,1,0,0,0,0|0,0,1]=3 580 B15R1.78 C#CCCNC(=O)OCc1ccccc1 Amb22756878 [1,1,0,0,0,0|0,0,2]=4 581 B15R1.78 C=CCCNC(=O)NCc1ccccc1 Amb25315725 [1,1,0,0,0,0|1,0,1]=4 582 B15R1.78 C=CCCNC(=O)OCc1ccccc1 Amb25041095 [1,1,0,0,0,0|0,0,1]=3 583 B15R1.78 C=CCNCC(=O)OCc1ccccc1 Amb25182360 [1,1,0,0,0,0|0,0,1]=3 584 B15R1.78 C=CCONC(=O)OCc1ccccc1 Amb25294611 [1,1,0,0,0,0|0,0,1]=3 585 B15R1.78 C=C\C=C\NC(=O)OCc1ccccc1 Amb16233217 [1,1,0,0,0,0|0,0,2]=4 586 B15R1.78 CC#CCNC(=O)OCc1ccccc1 Amb25248152 [1,1,0,0,0,0|0,0,1]=3 587 B15R1.78 CCCCCC(=O)OCc1ccccc1 Amb22734264 [1,1,0,0,0,0|1,0,1]=4 588 B15R1.78 CCCCNC(=O)NCc1ccccc1 Amb2236966 [1,1,0,0,0,0|1,0,1]=4 589 B15R1.78 CCCCOC(=O)OCc1ccccc1 Amb25030436 [1,1,0,0,0,0|1,0,1]=4 590 B15R1.78 CCCNCC(=O)OCc1ccccc1 Amb24665491 [1,1,0,0,0,0|0,0,1]=3 591 B15R1.78 CCCNNC(=O)OCc1ccccc1 Amb25033630 [1,1,0,0,0,0|0,0,1]=3 592 B15R1.78 CCCONC(=O)OCc1ccccc1 Amb25110682 [1,1,0,0,0,0|0,0,1]=3 593 B15R1.78 CCC\C=C\C(=O)OCc1ccccc1 Amb10572343 [1,1,0,0,0,0|1,0,1]=4 594 B15R1.78 CC\C=C/NC(=O)OCc1ccccc1 Amb24360433 [1,1,0,0,0,0|0,0,1]=3 595 B15R1.78 CC\C=C\NC(=O)OCc1ccccc1 Amb24512853 [1,1,0,0,0,0|0,0,1]=3 596 B15R1.78 CC\C=N\NC(=O)OCc1ccccc1 Amb24456787 [1,1,0,0,0,0|1,0,0]=3 597 B15R1.78 CNCCNC(=O)NCc1ccccc1 Amb25729763 [1,1,0,0,0,0|1,0,1]=4 598 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb10604122 [1,1,0,0,0,0|0,0,1]=3 599 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb19889524 [1,1,0,0,0,0|0,0,1]=3 600 B15R1.78 COCCNC(=O)NCc1ccccc1 Amb16003926 [1,1,0,0,0,0|1,0,1]=4 601 B15R1.78 N#CCCNC(=O)OCc1ccccc1 Amb18654632 [1,1,0,0,0,0|0,0,2]=4 602 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb17608237 [1,1,0,0,0,0|1,0,1]=4 603 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb24271768 [1,1,0,0,0,0|1,0,1]=4 604 B15R1.78 NCCCNC(=O)CCc1ccccc1 Amb25388444 [1,1,0,0,0,0|1,0,1]=4 605 B15R1.78 NCCCNC(=O)NCc1ccccc1 Amb24706325 [1,1,0,0,0,0|1,0,1]=4 606 B15R1.78 NCCCNC(=O)OCc1ccccc1 Amb10844746 [1,1,0,0,0,0|0,0,1]=3 607 B15R1.78 NOCCNC(=O)OCc1ccccc1 Amb16233381 [1,1,0,0,0,0|0,0,2]=4 608 B15R1.78 O=C(CCCC=O)OCc1ccccc1 Amb25315072 [1,1,0,0,0,0|1,0,0]=3 609 B15R1.78 O=C(CCCCBr)OCc1ccccc1 Amb22897246 [1,1,0,0,0,0|1,0,1]=4 610 B15R1.78 O=C(NCN=C=O)OCc1ccccc1 Amb25827681 [1,1,0,0,0,0|0,0,1]=3 611 B15R1.78 O=C(NCNC=O)OCc1ccccc1 Amb25351432 [1,1,0,0,0,0|0,0,0]=2 612 B15R1.78 O=C(NOCCF)OCc1ccccc1 Amb22897052 [1,1,0,0,0,0|1,0,1]=4 613 B15R1.78 O=C(N\N=C\CBr)OCc1ccccc1 Amb24627290 [1,1,0,0,0,0|1,0,0]=3 614 B15R1.78 OCCCCC(=O)OCc1ccccc1 Amb25832761 [1,1,0,0,0,0|1,0,1]=4 615 B15R1.78 OCCNCC(=O)OCc1ccccc1 Amb18115236 [1,1,0,0,0,0|0,0,2]=4 616 B15R1.78 [NH3+]CCCNC(=O)OCc1ccccc1 Amb22452694 [1,1,0,0,0,0|0,0,1]=3 617 B15R1.115 C=CCNC(=O)CC(N)c1ccccc1 Amb25388639 [1,1,0,0,0,0|1,0,1]=4 618 B15R1.115 C=CCNC(=O)CC(c1ccccc1)C Amb16948184 [1,1,0,0,0,0|1,0,1]=4 619 B15R1.115 CCCNC(=O)CC(N)c1ccccc1 Amb25388579 [1,1,0,0,0,0|1,0,1]=4 620 B15R1.115 CCCNC(=O)N[C@@H](C)c1ccccc1 Amb23263140 [1,1,0,0,0,0|1,0,1]=4 621 B15R1.127 C=CCNC(=O)CCc1cccc(Br)c1 Amb22288991 [1,1,0,0,0,0|1,0,1]=4 622 B15R1.127 C=CCNC(=O)CCc1cccc(c1)F Amb16948261 [1,1,0,0,0,0|1,0,1]=4 623 B15R1.127 C=CCNC(=O)NCc1cc(O)ccc1 Amb19348823 [1,1,0,0,0,0|1,0,1]=4 624 B15R1.127 C=CCNC(=O)NCc1cccc(c1)C Amb11299597 [1,1,0,0,0,0|1,0,1]=4 625 B15R1.127 C=CCNC(=O)NCc1cccc(c1)Cl Amb11266010 [1,1,0,0,0,0|1,0,1]=4 626 B15R1.127 CCCNC(=O)CCc1cccc(Br)c1 Amb21521596 [1,1,0,0,0,0|1,0,1]=4 627 B15R1.127 CCCNC(=O)CCc1cccc(c1)Cl Amb16947648 [1,1,0,0,0,0|1,0,1]=4 628 B15R1.127 CCCNC(=O)CCc1cccc(c1)F Amb16947763 [1,1,0,0,0,0|1,0,1]=4 629 B15R1.127 CCCNC(=O)NCc1cccc(c1)Cl Amb11224208 [1,1,0,0,0,0|1,0,1]=4 630 B15R1.127 Cc1cc(CCC(=O)NCC=C)ccc1 Amb21187265 [1,1,0,0,0,0|1,0,1]=4 631 B15R1.127 Cc1cc(CCC(=O)NCCC)ccc1 Amb21186864 [1,1,0,0,0,0|1,0,1]=4 632 B15R1.127 Cc1cc(CNC(=O)NCCC)ccc1 Amb23263212 [1,1,0,0,0,0|1,0,1]=4 633 B15R1.139 C=CCNC(=O)CCc1ccc(cc1)F Amb16948151 [1,1,0,0,0,0|1,0,1]=4 634 B15R1.139 C=CCNC(=O)NCc1ccc(Br)cc1 Amb22139193 [1,1,0,0,0,0|1,0,1]=4 635 B15R1.139 CCCNC(=O)CCc1ccc(Cl)cc1 Amb21186866 [1,1,0,0,0,0|1,0,1]=4 636 B15R1.139 CCCNC(=O)CCc1ccc(cc1)C Amb10621542 [1,1,0,0,0,0|1,0,1]=4 637 B15R1.139 CCCNC(=O)CCc1ccc(cc1)F Amb16947649 [1,1,0,0,0,0|1,0,1]=4 638 B15R1.139 CCCNC(=O)NCc1ccc(F)cc1 Amb23263217 [1,1,0,0,0,0|1,0,1]=4 639 B15R1.139 CCCNC(=O)NCc1ccc(cc1)C Amb139326 [1,1,0,0,0,0|1,0,1]=4 640 B15R1.139 CCCNC(=O)NCc1ccc(cc1)Cl Amb168256 [1,1,0,0,0,0|1,0,1]=4 641 B15R1.551 C=CCNC(=O)C(N)Cc1ccccc1 Amb21958703 [1,1,0,0,0,0|1,0,1]=4 642 B15R1.551 C=CCNC(=O)[C@@H](N)Cc1ccccc1 Amb24770331 [1,1,0,0,0,0|1,0,1]=4 643 B15R1.551 CCCNC(=O)C(N)Cc1ccccc1 Amb21958680 [1,1,0,0,0,0|1,0,1]=4 644 B15R1.551 CCCNC(=O)N(Cc1ccccc1)C Amb2553626 [1,1,0,0,0,0|1,0,1]=4 645 B15R1.551 CN(Cc1ccccc1)C(=O)NCC=C Amb20806330 [1,1,0,0,0,0|1,0,1]=4 646 B15R1.741 C=C(C=O)NC(=O)OCc1ccccc1 Amb25756214 [1,1,0,0,0,0|0,0,1]=3 647 B15R1.741 C=CC(N)CC(=O)OCc1ccccc1 Amb25266429 [1,1,0,0,0,0|1,0,1]=4 648 B15R1.741 CC(C=C)NC(=O)NCc1ccccc1 Amb25281991 [1,1,0,0,0,0|1,0,1]=4 649 B15R1.741 CC(C=C)NC(=O)OCc1ccccc1 Amb25725921 [1,1,0,0,0,0|0,0,1]=3 650 B15R1.741 CC(C=O)NC(=O)OCc1ccccc1 Amb18655752 [1,1,0,0,0,0|0,0,0]=2 651 B15R1.741 CC(CBr)NC(=O)OCc1ccccc1 Amb25840969 [1,1,0,0,0,0|1,0,1]=4 652 B15R1.741 CC(CI)NC(=O)OCc1ccccc1 Amb22754660 [1,1,0,0,0,0|1,0,1]=4 653 B15R1.741 CC(CN)NC(=O)OCc1ccccc1 Amb20240982 [1,1,0,0,0,0|1,0,1]=4 654 B15R1.741 CCC(C)NC(=O)OCc1ccccc1 Amb25365237 [1,1,0,0,0,0|0,0,1]=3 655 B15R1.741 CCC(NC(=O)NCc1ccccc1)C Amb2236967 [1,1,0,0,0,0|1,0,1]=4 656 B15R1.741 CC[C@@H](C)NC(=O)OCc1ccccc1 Amb25840930 [1,1,0,0,0,0|0,0,1]=3 657 B15R1.741 CC[C@H](C)NC(=O)NCc1ccccc1 Amb24694184 [1,1,0,0,0,0|1,0,1]=4 658 B15R1.741 COC(C)NC(=O)OCc1ccccc1 Amb25164592 [1,1,0,0,0,0|1,0,0]=3 659 B15R1.741 C[C@@H](C#C)NC(=O)OCc1ccccc1 Amb25378928 [1,1,0,0,0,0|0,0,2]=4 660 B15R1.741 C[C@@H](C#N)NC(=O)OCc1ccccc1 Amb22388656 [1,1,0,0,0,0|1,0,1]=4 661 B15R1.741 C[C@@H](C=O)NC(=O)OCc1ccccc1 Amb22755925 [1,1,0,0,0,0|0,0,0]=2 662 B15R1.741 C[C@@H](CBr)NC(=O)OCc1ccccc1 Amb22226723 [1,1,0,0,0,0|1,0,1]=4 663 B15R1.741 C[C@@H](CCl)NC(=O)OCc1ccccc1 Amb22226724 [1,1,0,0,0,0|1,0,1]=4 664 B15R1.741 C[C@@H](CI)NC(=O)OCc1ccccc1 Amb22754604 [1,1,0,0,0,0|1,0,1]=4 665 B15R1.741 C[C@@H](CN)NC(=O)OCc1ccccc1 Amb22168888 [1,1,0,0,0,0|1,0,1]=4 666 B15R1.741 C[C@@H](CN)NC(=O)OCc1ccccc1 Amb22388655 [1,1,0,0,0,0|1,0,1]=4 667 B15R1.741 C[C@H](C#C)NC(=O)OCc1ccccc1 Amb24659634 [1,1,0,0,0,0|0,0,2]=4 668 B15R1.741 C[C@H](C#N)NC(=O)OCc1ccccc1 Amb24668926 [1,1,0,0,0,0|1,0,1]=4 669 B15R1.741 C[C@H](CI)NC(=O)OCc1ccccc1 Amb25256037 [1,1,0,0,0,0|1,0,1]=4 670 B15R1.741 C[C@H](CN)NC(=O)OCc1ccccc1 Amb24059664 [1,1,0,0,0,0|1,0,1]=4 671 B15R1.741 OC[C@@H](NC(=O)OCc1ccccc1)C Amb16786155 [1,1,0,0,0,0|0,0,2]=4 672 B15R1.826 CC(NC=O)C(=O)OCc1ccccc1 Amb25727851 [1,1,0,0,0,0|2,0,0]=4 673 B15R1.826 CCCC(=C)C(=O)OCc1ccccc1 Amb22360690 [1,1,0,0,0,0|1,0,1]=4 674 B15R1.826 CCCC(N)C(=O)OCc1ccccc1 Amb23511177 [1,1,0,0,0,0|1,0,1]=4 675 B15R1.826 CCCN(C)C(=O)NCc1ccccc1 Amb25218802 [1,1,0,0,0,0|1,0,1]=4 676 B15R1.826 CCCN(C)C(=O)OCc1ccccc1 Amb24730011 [1,1,0,0,0,0|0,0,1]=3 677 B15R1.826 CCC[C@@H](N)C(=O)OCc1ccccc1 Amb24555643 [1,1,0,0,0,0|1,0,1]=4 678 B15R1.826 CCC[C@H](O)C(=O)OCc1ccccc1 Amb24373998 [1,1,0,0,0,0|1,0,1]=4 679 B15R1.826 CCON(C)C(=O)OCc1ccccc1 Amb24578443 [1,1,0,0,0,0|1,0,1]=4 680 B15R1.826 CN(CC#N)C(=O)OCc1ccccc1 Amb18654634 [1,1,0,0,0,0|1,0,1]=4 681 B15R1.826 CN(CC=O)C(=O)OCc1ccccc1 Amb24408438 [1,1,0,0,0,0|0,0,0]=2 682 B15R1.826 CN(CCBr)C(=O)OCc1ccccc1 Amb25193998 [1,1,0,0,0,0|1,0,1]=4 683 B15R1.826 CN(CCN)C(=O)OCc1ccccc1 Amb19889513 [1,1,0,0,0,0|1,0,1]=4 684 B15R1.826 CN(CCN)C(=O)OCc1ccccc1 Amb22499136 [1,1,0,0,0,0|1,0,1]=4 685 B15R1.826 CN(CCO)C(=O)OCc1ccccc1 Amb25237083 [1,1,0,0,0,0|0,0,2]=4 686 B15R1.826 CNCC(C)C(=O)OCc1ccccc1 Amb25087131 [1,1,0,0,0,0|2,0,0]=4 687 B15R1.826 CNCC(N)C(=O)OCc1ccccc1 Amb22288720 [1,1,0,0,0,0|2,0,0]=4 688 B15R1.826 COC[C@@H](N)C(=O)OCc1ccccc1 Amb22899198 [1,1,0,0,0,0|2,0,0]=4 689 B15R1.826 CSCC(C)C(=O)OCc1ccccc1 Amb24763535 [1,1,0,0,0,0|2,0,0]=4 690 B15R1.826 C[C@@H](CC=O)C(=O)OCc1ccccc1 Amb25184422 [1,1,0,0,0,0|1,0,0]=3 691 B15R1.826 C[C@H](NC=O)C(=O)OCc1ccccc1 Amb24741795 [1,1,0,0,0,0|2,0,0]=4 692 B15R1.1208 C=CCNC(=O)CCc1ccccc1Cl Amb2141616 [1,1,0,0,0,0|1,0,1]=4 693 B15R1.1208 C=CCNC(=O)CCc1ccccc1F Amb16948152 [1,1,0,0,0,0|1,0,1]=4 694 B15R1.1208 C=CCNC(=O)CCc1ccccc1N Amb24775298 [1,1,0,0,0,0|1,0,1]=4 695 B15R1.1208 C=CCNC(=O)CCc1ccccc1O Amb21698282 [1,1,0,0,0,0|1,0,1]=4 696 B15R1.1208 CCCNC(=O)CCc1ccccc1Cl Amb10612579 [1,1,0,0,0,0|1,0,1]=4 697 B15R1.1208 CCCNC(=O)CCc1ccccc1F Amb16947650 [1,1,0,0,0,0|1,0,1]=4 698 B15R1.1208 CCCNC(=O)CCc1ccccc1O Amb21425859 [1,1,0,0,0,0|1,0,1]=4 699 B15R1.1208 CCCNC(=O)NCc1ccccc1Cl Amb23263179 [1,1,0,0,0,0|1,0,1]=4 700 B15R1.1208 Cc1ccccc1CNC(=O)NCCC Amb23263137 [1,1,0,0,0,0|1,0,1]=4 701 B15R1.962 CCC(=O)CCCOCc1ccccc1 Amb25849760 [1,1,0,0,0,0|1,0,1]=4 702 B15R1.962 CNC(=O)CCNOCc1ccccc1 Amb25171109 [1,1,0,0,0,0|2,0,0]=4 703 B15R1.962 NCC(=O)CCCOCc1ccccc1 Amb25854482 [1,1,0,0,0,0|1,0,1]=4 704 B15R1.3664 CC(=O)C(C)CCOCc1ccccc1 Amb24705808 [1,1,0,0,0,0|1,0,1]=4 705 B15R1.3664 CC(\C=C\OCc1ccccc1)C(O)=O Amb24402173 [1,1,0,0,0,0|2,0,0]=4 706 B15R1.3664 C[C@H](\C=C/OCc1ccccc1)C(O)=O Amb25323336 [1,1,0,0,0,0|2,0,0]=4 707 B15R1.9084 CC(=O)CC(=O)NOCc1ccccc1 Amb25171845 [1,1,0,0,0,0|2,0,0]=4 708 B15R1.111 CC(=C)CNC(=O)Cc1ccc(I)cc1 Amb24232276 [0,1,0,0,1,0|1,0,0]=3 709 B15R1.111 CC(=O)CNC(=O)Nc1ccc(F)cc1 Amb24593463 [0,1,0,0,1,0|1,0,0]=3 710 B15R1.111 CC(=O)NNC(=O)Cc1ccc(N)cc1 Amb18938549 [0,1,0,0,1,0|1,0,0]=3 711 B15R1.111 CC(=O)NNC(=O)Nc1ccc(Br)cc1 Amb22444763 [0,1,0,0,1,0|2,0,0]=4 712 B15R1.111 CC(=O)NNC(=O)Nc1ccc(Br)cc1 Amb22473353 [0,1,0,0,1,0|2,0,0]=4 713 B15R1.111 CC(C)CNC(=O)Cc1ccc(N)cc1 Amb25388306 [0,1,0,0,1,0|1,0,1]=4 714 B15R1.111 CC(CNC(=O)Cc1ccc(cc1)Br)C Amb1789232 [0,1,0,0,1,0|1,0,1]=4 715 B15R1.111 CC(CNC(=O)Cc1ccc(cc1)N)C Amb1119004 [0,1,0,0,1,0|1,0,1]=4 716 B15R1.111 Cc1ccc(CC(=O)NCC(O)=O)c[n]1 Amb25391802 [0,1,0,0,1,0|2,0,0]=4 717 B15R1.111 Cc1ccc(cc1)OC(=O)NCC(O)=O Amb18568625 [0,1,0,0,1,0|1,0,0]=3 718 B15R1.111 O=C(Cc1ccc(cc1)Br)NCC(=O)O Amb1126758 [0,1,0,0,1,0|1,0,0]=3 719 B15R1.111 O=C(Cc1ccc(cc1)Br)OCC(=O)N Amb1226377 [0,1,0,0,1,0|2,0,0]=4 720 B15R1.111 O=C(Cc1ccc(cc1)Cl)NCC(=O)N Amb17247483 [0,1,0,0,1,0|1,0,0]=3 721 B15R1.111 O=C(Cc1ccc(cc1)Cl)OCC(=O)N Amb2263876 [0,1,0,0,1,0|2,0,0]=4 722 B15R1.111 O=C(Cc1ccc(cc1)F)NCC(=O)N Amb17240522 [0,1,0,0,1,0|1,0,0]=3 723 B15R1.111 O=C(Cc1ccc(cc1)F)NCC(=O)O Amb1137548 [0,1,0,0,1,0|1,0,0]=3 724 B15R1.111 O=C(Cc1ccc(cc1)N)NN=C(C)C Amb16750402 [0,1,0,0,1,0|2,0,0]=4 725 B15R1.111 O=C(Nc1ccc(cc1)Br)CCC(=O)C Amb17363516 [0,1,0,0,1,0|2,0,0]=4 726 B15R1.111 O=C(Nc1ccc(cc1)C)CCC(=O)C Amb16886508 [0,1,0,0,1,0|2,0,0]=4 727 B15R1.111 O=C(Nc1ccc(cc1)C)NCC(=O)O Amb1111454 [0,1,0,0,1,0|2,0,0]=4 728 B15R1.111 O=C(Nc1ccc(cc1)Cl)CCC(=O)C Amb16886523 [0,1,0,0,1,0|2,0,0]=4 729 B15R1.111 O=C(Nc1ccc(cc1)Cl)NCC(=O)O Amb1110962 [0,1,0,0,1,0|2,0,0]=4 730 B15R1.111 O=C(Nc1ccc(cc1)F)CCC(=O)C Amb16886521 [0,1,0,0,1,0|2,0,0]=4 731 B15R1.111 O=C(Nc1ccc(cc1)F)NCC(=O)O Amb1112178 [0,1,0,0,1,0|2,0,0]=4 732 B15R1.111 OC(=O)CCC(=O)Cc1ccc(F)cc1 Amb18774475 [0,1,0,0,1,0|2,0,0]=4 733 B15R1.111 OC(=O)CCC(=O)Oc1ccc(O)cc1 Amb18656712 [0,1,0,0,1,0|2,0,0]=4 734 B15R1.111 OC(=O)CNC(=O)Oc1ccc(Br)cc1 Amb18076719 [0,1,0,0,1,0|1,0,0]=3 735 B15R1.111 OC(=O)CNC(=O)Oc1ccc(Cl)cc1 Amb18572322 [0,1,0,0,1,0|1,0,0]=3 736 B15R1.111 OC(=O)CNC(=O)Oc1ccc(F)cc1 Amb18569532 [0,1,0,0,1,0|1,0,0]=3 737 B15R1.111 [O-]C(=O)CCC(=O)Oc1ccc(O)cc1 Amb22233037 [0,1,0,0,1,0|2,0,0]=4 738 B15R1.120 CC(=O)CCC(=O)Nc1cc(I)ccc1 Amb25710985 [0,1,0,0,1,0|2,0,0]=4 739 B15R1.120 CC(=O)CNC(=O)Nc1cc(Cl)ccc1 Amb25787059 [0,1,0,0,1,0|1,0,0]=3 740 B15R1.120 CC(=O)CNC(=O)Nc1cc(F)ccc1 Amb25171080 [0,1,0,0,1,0|1,0,0]=3 741 B15R1.120 CC(C)CNC(=O)Cc1cccc(Br)c1 Amb23111031 [0,1,0,0,1,0|1,0,1]=4 742 B15R1.120 CC(C)CNC(=O)Cc1cccc(Cl)c1 Amb22523804 [0,1,0,0,1,0|1,0,1]=4 743 B15R1.120 CC(CNC(=O)Cc1cccc(c1)N)C Amb17048845 [0,1,0,0,1,0|1,0,1]=4 744 B15R1.120 Cc1cc(ccc1)OC(=O)NCC(O)=O Amb18568624 [0,1,0,0,1,0|1,0,0]=3 745 B15R1.120 NC(=O)CNC(=O)Cc1cc(Br)ccc1 Amb19502397 [0,1,0,0,1,0|1,0,0]=3 746 B15R1.120 O=C(Nc1cccc(c1)Br)CCC(=O)C Amb16886549 [0,1,0,0,1,0|2,0,0]=4 747 B15R1.120 O=C(Nc1cccc(c1)C)CCC(=O)C Amb16886507 [0,1,0,0,1,0|2,0,0]=4 748 B15R1.120 O=C(Nc1cccc(c1)C)NCC(=O)O Amb1113333 [0,1,0,0,1,0|2,0,0]=4 749 B15R1.120 O=C(Nc1cccc(c1)Cl)CCC(=O)C Amb16886522 [0,1,0,0,1,0|2,0,0]=4 750 B15R1.120 O=C(Nc1cccc(c1)Cl)NCC(=O)O Amb1113877 [0,1,0,0,1,0|2,0,0]=4 751 B15R1.120 O=C(Nc1cccc(c1)F)CCC(=O)C Amb16886548 [0,1,0,0,1,0|2,0,0]=4 752 B15R1.120 OC(=O)CNC(=O)Cc1cc(Br)ccc1 Amb18075736 [0,1,0,0,1,0|1,0,0]=3 753 B15R1.120 OC(=O)CNC(=O)Cc1cc(O)ccc1 Amb19016038 [0,1,0,0,1,0|1,0,0]=3 754 B15R1.120 OC(=O)CNC(=O)Oc1cccc(Br)c1 Amb18594893 [0,1,0,0,1,0|1,0,0]=3 755 B15R1.120 OC(=O)CNC(=O)Oc1cccc(Cl)c1 Amb18572321 [0,1,0,0,1,0|1,0,0]=3 756 B15R1.120 OC(=O)CNC(=O)Oc1cccc(F)c1 Amb18569531 [0,1,0,0,1,0|1,0,0]=3 757 B15R1.256 CC(=O)CCC(=O)Nc1ccccc1I Amb25089023 [0,1,0,0,1,0|2,0,0]=4 758 B15R1.256 CC(C)CNC(=O)Cc1ccccc1Cl Amb21129783 [0,1,0,0,1,0|1,0,1]=4 759 B15R1.256 CC(C)CNC(=O)Cc1ccccc1F Amb23014296 [0,1,0,0,1,0|1,0,1]=4 760 B15R1.256 CC(CNC(=O)Cc1ccccc1N)C Amb1112882 [0,1,0,0,1,0|1,0,1]=4 761 B15R1.256 Cc1ccccc1OC(=O)NCC(O)=O Amb18568623 [0,1,0,0,1,0|1,0,0]=3 762 B15R1.256 Nc1ccccc1NC(=O)NCC(O)=O Amb18977838 [0,1,0,0,1,0|2,0,0]=4 763 B15R1.256 O=C(Cc1ccccc1Br)NCC(=O)O Amb16206874 [0,1,0,0,1,0|1,0,0]=3 764 B15R1.256 O=C(Nc1ccccc1Br)CCC(=O)C Amb17363517 [0,1,0,0,1,0|2,0,0]=4 765 B15R1.256 O=C(Nc1ccccc1C)CCC(=O)C Amb16886506 [0,1,0,0,1,0|2,0,0]=4 766 B15R1.256 O=C(Nc1ccccc1Cl)CCC(=O)C Amb17343485 [0,1,0,0,1,0|2,0,0]=4 767 B15R1.256 O=C(Nc1ccccc1F)CCC(=O)C Amb16886520 [0,1,0,0,1,0|2,0,0]=4 768 B15R1.256 O=C(Nc1ccccc1F)NCC(=O)O Amb1113777 [0,1,0,0,1,0|2,0,0]=4 769 B15R1.256 OC(=O)CNC(=O)Oc1ccccc1Br Amb18594892 [0,1,0,0,1,0|1,0,0]=3 770 B15R1.256 OC(=O)CNC(=O)Oc1ccccc1Cl Amb18572320 [0,1,0,0,1,0|1,0,0]=3 771 B15R1.256 OC(=O)CNC(=O)Oc1ccccc1F Amb18569530 [0,1,0,0,1,0|1,0,0]=3 772 B15R1.496 CC(=O)CC(=O)C(=O)Nc1ccccc1 Amb21864783 [0,1,0,0,1,0|2,0,0]=4 773 B15R1.496 CN(C(=O)Cc1ccccc1)CC(=O)N Amb17238848 [0,1,0,0,1,0|1,0,0]=3 774 B15R1.496 CN(C(=O)Nc1ccccc1)CC(=O)O Amb1117229 [0,1,0,0,1,0|2,0,0]=4 775 B15R1.496 CN(CC(O)=O)C(=O)Cc1c[n]ccc1 Amb19027517 [0,1,0,0,1,0|2,0,0]=4 776 B15R1.964 CNC(=O)CNC(=O)Nc1ccccc1 Amb144093 [0,1,0,0,1,0|1,0,0]=3 777 B15R1.964 CNC(C)CNC(=O)Cc1ccccc1 Amb24773778 [0,1,0,0,1,0|1,0,1]=4 778 B15R1.964 COC(=O)CCC(=O)Oc1ccccc1 Amb17339000 [0,1,0,0,1,0|1,0,0]=3 779 B15R1.964 COC(=O)NNC(=O)Cc1ccccc1 Amb1208315 [0,1,0,0,1,0|1,0,0]=3 780 B15R1.964 COC(=O)NNC(=O)Nc1ccccc1 Amb1201400 [0,1,0,0,1,0|2,0,0]=4 781 B15R1.964 NCC(=O)NNC(=O)Cc1ccccc1 Amb17338736 [0,1,0,0,1,0|1,0,0]=3 782 B15R1.964 ONC(=O)CNC(=O)Cc1ccccc1 Amb24089695 [0,1,0,0,1,0|1,0,0]=3 783 B15R1.964 ONC(=O)CNC(=O)Nc1ccccc1 Amb24096668 [0,1,0,0,1,0|2,0,0]=4 784 B15R1.1078 CC(C)CNC(=O)C(N)c1ccccc1 Amb25388644 [0,1,0,0,1,0|1,0,1]=4 785 B15R1.1078 CC(c1ccccc1)C(=O)NCC(O)=O Amb25389607 [0,1,0,0,1,0|1,0,0]=3 786 B15R1.1078 CN(c1ccccc1)C(=O)CCC(=O)C Amb16886509 [0,1,0,0,1,0|2,0,0]=4 787 B15R1.1078 C[C@@H](c1ccccc1)C(=O)NCC(O)=O Amb25389578 [0,1,0,0,1,0|1,0,0]=3 788 B15R1.1078 ClC(c1ccccc1)C(=O)NCC(O)C Amb17323627 [0,1,0,0,1,0|0,0,2]=4 789 B15R1.1078 OC(c1ccccc1)C(=O)NCC(C)C Amb17403465 [0,1,0,0,1,0|1,0,1]=4 790 B15R1.3675 CC(C(C)C)NC(=O)Cc1ccccc1 Amb10567569 [0,1,0,0,1,0|1,0,1]=4 791 B15R1.3675 CC(NC(=O)Cc1c[n]ccc1)C(O)=O Amb19027516 [0,1,0,0,1,0|2,0,0]=4 792 B15R1.3675 C[C@@H](NC(=O)Cc1ccccc1)C(O)=O Amb24771411 [0,1,0,0,1,0|1,0,0]=3 793 B15R1.3675 C[C@@H](NC(=O)Nc1ccccc1)C(O)=O Amb18016329 [0,1,0,0,1,0|2,0,0]=4 794 B15R1.9108 CC(C)(C)CNC(=O)Cc1ccccc1 Amb23155166 [0,1,0,0,1,0|1,0,1]=4 795 B15R1.9108 CC(C)(N)CNC(=O)Cc1ccccc1 Amb25389388 [0,1,0,0,1,0|1,0,1]=4 796 B15R1.9108 O=C(Cc1ccccc1)NCC(O)(C)C Amb16785992 [0,1,0,0,1,0|0,0,2]=4 797 B15R1.9108 O=C(Oc1ccccc1)NCC(O)(C)C Amb16786030 [0,1,0,0,1,0|0,0,2]=4 798 B15R1.12243 OC(=O)CNS(=O)(=O)Cc1ccccc1 Amb1105423 [0,1,0,0,1,0|2,0,0]=4 799 B15R1.870 O=C(CC(=O)O)NCc1ccc(cc1)C Amb17403399 [0,1,0,0,1,0|2,0,0]=4 800 B15R1.1076 CC(c1ccccc1)NC(=O)CC(=O)O Amb17403400 [0,1,0,0,1,0|2,0,0]=4 801 B15R1.3465 CC(C)(C)NC(=O)OCc1ccccc1 Amb25770105 [0,1,0,0,1,0|1,0,1]=4 802 B15R1.3465 CC(C)(N)CC(=O)OCc1ccccc1 Amb25805793 [0,1,0,0,1,0|1,0,1]=4 803 B15R1.3465 CS(=O)(=O)CC(=O)NCc1ccccc1 Amb21811897 [0,1,0,0,1,0|2,0,0]=4 804 B15R1.3465 CS(=O)(=O)CC(=O)OCc1ccccc1 Amb25676187 [0,1,0,0,1,0|1,0,0]=3 805 B15R1.3465 O=C(NS(=O)(=O)Cl)OCc1ccccc1 Amb25361777 [0,1,0,0,1,0|2,0,0]=4 806 B15R1.3465 OS(=O)(=O)CC(=O)OCc1ccccc1 Amb24743649 [0,1,0,0,1,0|2,0,0]=4 807 B15R1.3678 CC(=C)[C@@H](N)C(=O)OCc1ccccc1 Amb25090854 [0,1,0,0,1,0|1,0,0]=3 808 B15R1.3678 CC(=O)C(Br)C(=O)OCc1ccccc1 Amb22753748 [0,1,0,0,1,0|0,0,0]=2 809 B15R1.3678 CC(=O)C(C)C(=O)NCc1ccccc1 Amb24434928 [0,1,0,0,1,0|1,0,0]=3 810 B15R1.3678 CC(=O)C(N)C(=O)OCc1ccccc1 Amb22753857 [0,1,0,0,1,0|0,0,0]=2 811 B15R1.3678 CC(=O)C(N)C(=O)OCc1ccccc1 Amb22753858 [0,1,0,0,1,0|0,0,0]=2 812 B15R1.3678 CC(C(=O)OCc1ccccc1)[N+]([O-])=O Amb24438635 [0,1,0,0,1,0|2,0,0]=4 813 B15R1.3678 CC(C(C)N)C(=O)OCc1ccccc1 Amb25685593 [0,1,0,0,1,0|1,0,1]=4 814 B15R1.3678 CC(C(O)=O)C(=O)NCc1ccccc1 Amb25389608 [0,1,0,0,1,0|2,0,0]=4 815 B15R1.3678 CC(C(O)=O)C(=O)OCc1ccccc1 Amb25164605 [0,1,0,0,1,0|1,0,0]=3 816 B15R1.3678 CC(C)=C(C)C(=O)OCc1ccccc1 Amb24412203 [0,1,0,0,1,0|1,0,1]=4 817 B15R1.3678 CC(C)=C(N)C(=O)OCc1ccccc1 Amb25277296 [0,1,0,0,1,0|1,0,1]=4 818 B15R1.3678 CC(C)C(N)C(=O)OCc1ccccc1 Amb22349578 [0,1,0,0,1,0|1,0,1]=4 819 B15R1.3678 CC(C)C(S)C(=O)OCc1ccccc1 Amb25686933 [0,1,0,0,1,0|1,0,1]=4 820 B15R1.3678 CC(C)N(O)C(=O)OCc1ccccc1 Amb22756009 [0,1,0,0,1,0|1,0,1]=4 821 B15R1.3678 CC(C)[C@@H](N)C(=O)OCc1ccccc1 Amb22745246 [0,1,0,0,1,0|1,0,1]=4 822 B15R1.3678 CC(C)[C@@H](N)C(=O)OCc1ccccc1 Amb22745278 [0,1,0,0,1,0|1,0,1]=4 823 B15R1.3678 CC(N)C(N)C(=O)OCc1ccccc1 Amb22503850 [0,1,0,0,1,0|1,0,1]=4 824 B15R1.3678 CC(N)C(O)C(=O)OCc1ccccc1 Amb25310754 [0,1,0,0,1,0|1,0,1]=4 825 B15R1.3678 CC(N)[C@@H](N)C(=O)OCc1ccccc1 Amb22503848 [0,1,0,0,1,0|1,0,1]=4 826 B15R1.3678 CC(N)[C@H](N)C(=O)OCc1ccccc1 Amb22503846 [0,1,0,0,1,0|1,0,1]=4 827 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCc1ccccc1 Amb20240577 [0,1,0,0,1,0|0,0,2]=4 828 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCc1ccccc1 Amb22752874 [0,1,0,0,1,0|0,0,2]=4 829 B15R1.3678 C[C@@H](O)[C@H](N)C(=O)OCc1ccccc1 Amb22800077 [0,1,0,0,1,0|0,0,2]=4 830 B15R1.3678 NC(C(=O)OCc1ccccc1)C(=O)N Amb10558244 [0,1,0,0,1,0|1,0,0]=3 831 B15R1.3678 NC(C(=O)OCc1ccccc1)C(C)C Amb17338801 [0,1,0,0,1,0|1,0,1]=4 832 B15R1.3678 N[C@H](C(=O)OCc1ccccc1)C(C)C Amb10844656 [0,1,0,0,1,0|1,0,1]=4 833 B15R1.3678 N[C@H](C(=O)OCc1ccccc1)[C@H](O)C Amb16183981 [0,1,0,0,1,0|0,0,2]=4 834 B15R1.3678 OC(=O)C(F)C(=O)NCc1ccccc1 Amb25243532 [0,1,0,0,1,0|2,0,0]=4 835 B15R1.3678 OC(=O)C(O)C(=O)OCc1ccccc1 Amb24658283 [0,1,0,0,1,0|1,0,0]=3 836 B15R1.5336 OC(=O)CN(C=O)OCc1ccccc1 Amb25289131 [0,1,0,0,1,0|2,0,0]=4 837 B15R1.1115 CNC(=O)CNC(=O)CCc1ccco1 Amb20783853 [0,1,0,0,1,0|2,0,0]=4 838 B17R1.675 C[C@@H](NC(=O)NCCC(O)=O)c1ccccc1 Amb25639270 [0,1,0,0,0,1|2,0,0]=4 839 B17R1.675 C[C@H](NC(=O)NCCC(O)=O)c1ccccc1 Amb25639258 [0,1,0,0,0,1|2,0,0]=4 840 B17R1.675 NC(CC(=O)NCCC(O)=O)c1ccccc1 Amb23927596 [0,1,0,0,0,1|2,0,0]=4 841 B17R1.1079 O=C(CCNC(=O)C)NCc1ccc(cc1)Cl Amb151327 [0,1,0,0,0,1|2,0,0]=4 842 B17R1.1079 O=C(COc1ccc(cc1)C)NCCC(=O)C Amb17102921 [0,1,0,0,0,1|2,0,0]=4 843 B17R1.1079 O=C(COc1ccc(cc1)Cl)NCCC(=O)C Amb17102909 [0,1,0,0,0,1|2,0,0]=4 844 B17R1.1079 O=C(NCCC(=O)O)NCc1ccc(cc1)C Amb17042857 [0,1,0,0,0,1|2,0,0]=4 845 B17R1.1079 O=C(NCCC(=O)O)NCc1ccc(cc1)Cl Amb17042861 [0,1,0,0,0,1|2,0,0]=4 846 B17R1.1079 O=C(NCCC(=O)O)NCc1ccc(cc1)F Amb17042859 [0,1,0,0,0,1|2,0,0]=4 847 B17R1.1079 OC(=O)CCNC(=O)NCc1ccc(Br)cc1 Amb24789144 [0,1,0,0,0,1|2,0,0]=4 848 B17R1.1218 CCC(=C)CNCC(=O)NCc1ccccc1 Amb25378687 [0,1,0,0,0,1|2,0,0]=4 849 B17R1.1218 CNC(=O)CCNC(=O)NCc1ccccc1 Amb11268247 [0,1,0,0,0,1|1,0,0]=3 850 B17R1.1218 CNC(=O)CCNC(=O)OCc1ccccc1 Amb25736554 [0,1,0,0,0,1|0,0,0]=2 851 B17R1.1218 COC(=O)CCNC(=N)NCc1ccccc1 Amb24613991 [0,1,0,0,0,1|2,0,0]=4 852 B17R1.1218 COC(=O)CCNC(=O)CCc1c[n]ccc1 Amb21154923 [0,1,0,0,0,1|2,0,0]=4 853 B17R1.1218 COC(=O)CCNC(=O)CSc1ccccc1 Amb21128467 [0,1,0,0,0,1|2,0,0]=4 854 B17R1.1218 COC(=O)CCNC(=O)OCc1ccccc1 Amb24472665 [0,1,0,0,0,1|0,0,0]=2 855 B17R1.1218 COC(=O)CCNC(=O)\C=C\c1ccccc1 Amb23504766 [0,1,0,0,0,1|1,0,1]=4 856 B17R1.1218 COC(=O)CONC(=O)COc1ccccc1 Amb22460215 [0,1,0,0,0,1|2,0,0]=4 857 B17R1.1218 CSC(C)CCNC(=O)OCc1ccccc1 Amb25173383 [0,1,0,0,0,1|0,1,1]=4 858 B17R1.1218 C\C(\CNCC(=O)NCc1ccccc1)=C\Cl Amb24332973 [0,1,0,0,0,1|2,0,0]=4 859 B17R1.1218 NCC(N)CCNC(=O)OCc1ccccc1 Amb25092859 [0,1,0,0,0,1|1,0,1]=4 860 B17R1.1218 NC[C@@H](N)CCNC(=O)OCc1ccccc1 Amb20670704 [0,1,0,0,0,1|1,0,1]=4 861 B17R1.1218 NC[C@H](N)CCNC(=O)OCc1ccccc1 Amb20670705 [0,1,0,0,0,1|1,0,1]=4 862 B17R1.1218 NNC(=O)CCNC(=O)OCc1ccccc1 Amb10790185 [0,1,0,0,0,1|1,0,0]=3 863 B17R1.1218 O=C(NCCC(=O)CCl)OCc1ccccc1 Amb25198416 [0,1,0,0,0,1|0,0,0]=2 864 B17R1.5010 CC(=O)CCC(N)C(=O)OCc1ccccc1 Amb24663524 [0,1,0,0,0,1|1,0,0]=3 865 B17R1.5010 CN(C(=O)CCc1ccccc1)CCC(=O)O Amb17408866 [0,1,0,0,0,1|2,0,0]=4 866 B17R1.5010 CN(CCC(C)C)C(=O)OCc1ccccc1 Amb24413322 [0,1,0,0,0,1|1,0,1]=4 867 B17R1.5010 CS(=O)CC[C@H](N)C(=O)OCc1ccccc1 Amb24672726 [0,1,0,0,0,1|2,0,0]=4 868 B17R1.5010 C[C@@H](NC[C@@H](C)N)C(=O)OCc1ccccc1 Amb25745572 [0,1,0,0,0,1|1,0,1]=4 869 B17R1.5010 NC(=O)CC[C@H](N)C(=O)OCc1ccccc1 Amb25810030 [0,1,0,0,0,1|2,0,0]=4 870 B17R1.5010 NC(C(=O)OCc1ccccc1)CCC(=O)O Amb17596491 [0,1,0,0,0,1|2,0,0]=4 871 B17R1.5010 N[C@H](C(=O)OCc1ccccc1)CCC(=O)O Amb16183959 [0,1,0,0,0,1|2,0,0]=4 872 B17R1.5010 N[C@H](CCC(O)=O)C(=O)OCc1ccccc1 Amb19944289 [0,1,0,0,0,1|2,0,0]=4 873 B17R1.5010 OC(=O)CNC(=O)C(=O)NCc1ccccc1 Amb24416652 [0,1,0,0,0,1|2,0,0]=4 874 B17R1.9015 CC(=O)NCCC(=O)OCc1ccccc1F Amb21119229 [0,1,0,0,0,1|1,0,0]=3 875 B17R1.9015 O=C(NCc1ccccc1C)NCCC(=O)O Amb17042855 [0,1,0,0,0,1|2,0,0]=4 876 B17R1.9015 O=C(NCc1ccccc1Cl)NCCC(=O)O Amb17042860 [0,1,0,0,0,1|2,0,0]=4 877 B17R1.9015 O=C(NCc1ccccc1F)NCCC(=O)O Amb17042858 [0,1,0,0,0,1|2,0,0]=4 878 B17R1.9289 CC(Cc1ccccc1)C(=O)NCCC(O)=O Amb24250616 [0,1,0,0,0,1|2,0,0]=4 879 B17R1.9289 CN(Cc1ccccc1)C(=O)NCCC(O)=O Amb18529538 [0,1,0,0,0,1|2,0,0]=4 880 B17R1.9289 CN(Cc1ccccc1)C(=O)NOCC(O)=O Amb25745734 [0,1,0,0,0,1|2,0,0]=4 881 B17R1.9289 NC(=O)CCNC(=O)[C@@H](N)Cc1ccccc1 Amb24788665 [0,1,0,0,0,1|2,0,0]=4 882 B17R1.9289 NC(Cc1ccccc1)C(=O)NCCC(O)=O Amb23927593 [0,1,0,0,0,1|2,0,0]=4 883 B17R1.9289 N[C@@H](Cc1ccccc1)C(=O)NCCC(O)=O Amb22800993 [0,1,0,0,0,1|2,0,0]=4 884 B17R1.14359 CC(=O)NCCC(=O)NCc1cc(Cl)ccc1 Amb21792925 [0,1,0,0,0,1|2,0,0]=4 885 B17R1.14359 O=C(NCc1cccc(c1)C)NCCC(=O)O Amb17042856 [0,1,0,0,0,1|2,0,0]=4 886 B17R1.14359 OC(=O)CCNC(=O)NCc1cccc(Cl)c1 Amb25402306 [0,1,0,0,0,1|2,0,0]=4 887 B17R1.14359 OC(=O)CCNC(=O)NCc1cccc(F)c1 Amb24789161 [0,1,0,0,0,1|2,0,0]=4 888 B17R1.16524 CC(CS(C)=O)NC(=O)NCc1ccccc1 Amb25831670 [0,1,0,0,0,1|2,0,0]=4 889 B17R1.16524 CC(CS(C)=O)NC(=O)OCc1ccccc1 Amb24504157 [0,1,0,0,0,1|1,0,0]=3 890 B17R1.16524 CN(CC(O)=O)NC(=O)NCc1ccccc1 Amb25239840 [0,1,0,0,0,1|2,0,0]=4 891 B17R1.16524 C[C@@H](CC(O)=O)NC(=O)OCc1ccccc1 Amb22353964 [0,1,0,0,0,1|1,0,0]=3 892 B17R1.16524 C[C@H](CC(O)=O)NC(=O)OCc1ccccc1 Amb22353971 [0,1,0,0,0,1|1,0,0]=3 893 B17R1.16524 O=C(\C=C(\NC(=O)C)/C)OCc1ccccc1 Amb2542509 [0,1,0,0,0,1|1,0,1]=4 894 B17R1.16633 CC(=O)C(O)CNC(=O)OCc1ccccc1 Amb24569164 [0,1,0,0,0,1|0,0,0]=2 895 B17R1.16633 CC(=O)[C@H](O)CNC(=O)OCc1ccccc1 Amb25810160 [0,1,0,0,0,1|0,0,0]=2 896 B17R1.16633 CC(C)C(=O)CNC(=O)OCc1ccccc1 Amb23555714 [0,1,0,0,0,1|1,0,1]=4 897 B17R1.16633 CC(C)C(C)CNC(=O)OCc1ccccc1 Amb24721967 [0,1,0,0,0,1|1,0,1]=4 898 B17R1.16633 CC(C)C(O)CNC(=O)OCc1ccccc1 Amb25065000 [0,1,0,0,0,1|1,0,1]=4 899 B17R1.16633 CC(CNC(=O)CCc1ccccc1)C(O)=O Amb25403152 [0,1,0,0,0,1|2,0,0]=4 900 B17R1.16633 CN(C(=O)CNC(=O)OCc1ccccc1)C Amb11244412 [0,1,0,0,0,1|2,0,0]=4 901 B17R1.16633 C[C@@H](CNC(=O)OCc1ccccc1)C(O)=O Amb22745294 [0,1,0,0,0,1|1,0,0]=3 902 B17R1.16633 C[C@H](CNC(=O)OCc1ccccc1)C(O)=O Amb24615421 [0,1,0,0,0,1|1,0,0]=3 903 B17R1.16633 C[C@H](ONC(=O)OCc1ccccc1)C(O)=O Amb22460653 [0,1,0,0,0,1|1,0,0]=3 904 B17R1.16633 NC(=O)C(N)CCC(=O)OCc1ccccc1 Amb25048583 [0,1,0,0,0,1|2,0,0]=4 905 B17R1.16633 NC(=O)C(O)CNC(=O)NCc1ccccc1 Amb25024760 [0,1,0,0,0,1|2,0,0]=4 906 B17R1.16633 NC(=O)[C@@H](N)CCC(=O)OCc1ccccc1 Amb22230814 [0,1,0,0,0,1|2,0,0]=4 907 B17R1.16633 NC(=O)[C@H](N)CCC(=O)OCc1ccccc1 Amb22230591 [0,1,0,0,0,1|2,0,0]=4 908 B17R1.16633 NC(CNC(=O)NCc1ccccc1)C(O)=O Amb25810741 [0,1,0,0,0,1|2,0,0]=4 909 B17R1.16633 NC(CNC(=O)OCc1ccccc1)C(O)=O Amb25164492 [0,1,0,0,0,1|1,0,0]=3 910 B17R1.16633 NC(COC(=O)OCc1ccccc1)C(O)=O Amb24332686 [0,1,0,0,0,1|2,0,0]=4 911 B17R1.16633 N[C@@H](CNC(=O)OCc1ccccc1)C(O)=O Amb25802894 [0,1,0,0,0,1|1,0,0]=3 912 B17R1.16633 N[C@@H](COC(=O)OCc1ccccc1)C(O)=O Amb25280299 [0,1,0,0,0,1|2,0,0]=4 913 B17R1.16633 N[C@@H](CSC(=O)OCc1ccccc1)C(O)=O Amb19930743 [0,1,0,0,0,1|2,0,0]=4 914 B17R1.16633 O=C(OCc1ccccc1)CCC(C(=O)O)N Amb16224732 [0,1,0,0,0,1|2,0,0]=4 915 B17R1.16633 O=C(OCc1ccccc1)CC[C@@H](C(=O)N)N Amb16183843 [0,1,0,0,0,1|2,0,0]=4 916 B17R1.16633 O=C(OCc1ccccc1)CC[C@H](C(=O)N)N Amb16183840 [0,1,0,0,0,1|2,0,0]=4 917 B17R1.16633 O=C(OCc1ccccc1)CC[C@H](C(=O)O)N Amb16183940 [0,1,0,0,0,1|2,0,0]=4 918 B17R1.16633 OC(=O)C(F)CNC(=O)OCc1ccccc1 Amb24698739 [0,1,0,0,0,1|1,0,0]=3 919 B17R1.16633 OC(=O)[C@@H](O)CNC(=O)NCc1ccccc1 Amb25810876 [0,1,0,0,0,1|2,0,0]=4 920 B17R1.16633 OC(=O)[C@@H](O)CNC(=O)OCc1ccccc1 Amb20670694 [0,1,0,0,0,1|1,0,0]=3 921 B17R1.16633 OC(=O)[C@H](O)CNC(=O)OCc1ccccc1 Amb25239802 [0,1,0,0,0,1|1,0,0]=3 922 B17R1.40529 CC(C)(N)CCNC(=O)OCc1ccccc1 Amb19516362 [0,1,0,0,0,1|1,0,1]=4 923 B17R1.40529 CC(C)(N)CCNC(=O)OCc1ccccc1 Amb22406395 [0,1,0,0,0,1|1,0,1]=4 924 B17R1.40529 CC(F)(F)CCNC(=O)OCc1ccccc1 Amb25286519 [0,1,0,0,0,1|1,0,1]=4 925 B17R1.40529 CS(=O)(=O)OCCC(=O)OCc1ccccc1 Amb25245736 [0,1,0,0,0,1|2,0,0]=4 926 B17R1.40529 O=C(NCCS(=O)(=O)C)CCc1ccccc1 Amb11378389 [0,1,0,0,0,1|2,0,0]=4 927 B17R1.40529 O=C(NCCS(=O)(=O)C)NCc1ccccc1 Amb11444806 [0,1,0,0,0,1|2,0,0]=4 928 B17R1.40529 O=C(NCCS(=O)(=O)C)OCc1ccccc1 Amb16869468 [0,1,0,0,0,1|1,0,0]=3 929 B17R1.40529 O=C(NCCS(=O)(=O)Cl)OCc1ccccc1 Amb22736096 [0,1,0,0,0,1|2,0,0]=4 930 B17R1.40529 O=C(NCCS(=O)(=O)F)OCc1ccccc1 Amb25187042 [0,1,0,0,0,1|2,0,0]=4 931 B17R1.40529 O=C([15NH][13CH2][13CH2]S(=O)(=O)C)OCc1ccccc1 Amb17617797 [0,1,0,0,0,1|1,0,0]=3 932 B17R1.40529 OP(O)(=O)CCNC(=O)OCc1ccccc1 Amb24676681 [0,1,0,0,0,1|2,0,0]=4 933 B17R1.40529 OS(=O)(=O)CCNC(=O)OCc1ccccc1 Amb22755940 [0,1,0,0,0,1|2,0,0]=4 934 B17R1.1143 Cc1ccc(CCCC(=O)NCC(O)=O)cc1 Amb18870571 [0,1,0,0,0,1|2,0,0]=4 935 B17R1.1143 Cc1ccc(cc1)OCCC(=O)NCC(N)=O Amb23912908 [0,1,0,0,0,1|2,0,0]=4 936 B17R1.1143 Cc1ccc(cc1)SCCC(=O)NCC(N)=O Amb23912902 [0,1,0,0,0,1|2,0,0]=4 937 B17R1.1143 NC(=O)CNC(=O)CSCc1ccc(Cl)cc1 Amb23912689 [0,1,0,0,0,1|1,1,0]=4 938 B17R1.1143 O=C(CCC(=O)C)NCCc1ccc(cc1)Cl Amb16886488 [0,1,0,0,0,1|2,0,0]=4 939 B17R1.1143 O=C(CCC(=O)C)NCCc1ccc(cc1)F Amb16886478 [0,1,0,0,0,1|2,0,0]=4 940 B17R1.1143 O=C(NCC(=O)O)CCOc1ccc(cc1)Cl Amb17146035 [0,1,0,0,0,1|2,0,0]=4 941 B17R1.1143 OC(=O)CNC(=O)CCCc1ccc(Cl)cc1 Amb18878722 [0,1,0,0,0,1|2,0,0]=4 942 B17R1.1327 O=C(NCC(=O)O)CCN(c1ccccc1)C Amb17144630 [0,1,0,0,0,1|2,0,0]=4 943 B17R1.1327 OC(=O)CNC(=O)CCC(=O)c1ccccc1 Amb18870527 [0,1,0,0,0,1|2,0,0]=4 944 B17R1.5005 CN(Cc1ccccc1)CC(=O)NCC(=O)O Amb17144626 [0,1,0,0,0,1|2,0,0]=4 945 B17R1.11270 O=C(NCC(=O)O)CCSc1ccccc1C Amb17145611 [0,1,0,0,0,1|2,0,0]=4 946 B17R1.11270 OC(=O)CNC(=O)CCOc1ccccc1Br Amb25574606 [0,1,0,0,0,1|2,0,0]=4 947 B17R1.14436 Cc1cc(CSCC(=O)NCC(N)=O)ccc1 Amb23912924 [0,1,0,0,0,1|1,1,0]=4 948 B17R1.14436 NC(=O)CNC(=O)CCOc1cccc(Br)c1 Amb23912918 [0,1,0,0,0,1|2,0,0]=4 949 B17R1.14436 NC(=O)CNC(=O)CSCc1cccc(Cl)c1 Amb23912928 [0,1,0,0,0,1|1,1,0]=4 950 B17R1.14436 O=C(CCC(=O)C)NCCc1cccc(c1)Cl Amb16886503 [0,1,0,0,0,1|2,0,0]=4 951 B17R1.16303 CC(C)C(C)NC(=O)COCc1ccccc1 Amb21375792 [0,1,0,0,0,1|1,0,1]=4 952 B17R1.16303 CC(NC(=O)COCc1ccccc1)C(C)O Amb25811541 [0,1,0,0,0,1|0,0,2]=4 953 B17R1.16303 CC(NC(=O)COCc1ccccc1)C(N)=O Amb25360165 [0,1,0,0,0,1|1,0,0]=3 954 B17R1.16303 CN(C(=O)C)CC(=O)NOCc1ccccc1 Amb11311455 [0,1,0,0,0,1|2,0,0]=4 955 B17R1.16303 C[C@@H](NC(=O)COCc1ccccc1)C(N)=O Amb24361280 [0,1,0,0,0,1|1,0,0]=3 956 B17R1.16303 C[C@@H](NC(=O)COCc1ccccc1)C(O)=O Amb25401297 [0,1,0,0,0,1|1,0,0]=3 957 B17R1.16303 C[C@H](NC(=O)CCCc1ccccc1)C(O)=O Amb24788254 [0,1,0,0,0,1|2,0,0]=4 958 B17R1.16303 C[C@H](NC(=O)CCOc1ccccc1)C(O)=O Amb24788241 [0,1,0,0,0,1|2,0,0]=4 959 B17R1.16303 C[C@H](NC(=O)CCSc1ccccc1)C(O)=O Amb24788286 [0,1,0,0,0,1|2,0,0]=4 960 B17R1.16303 C[C@H](NC(=O)COCc1ccccc1)C(O)=O Amb25401201 [0,1,0,0,0,1|1,0,0]=3 961 B17R1.16318 CC(=O)NC(C)C(=O)OCCc1ccccc1 Amb21785335 [0,1,0,0,0,1|2,0,0]=4 962 B17R1.16318 CN(CC(N)=O)C(=O)CCCc1ccccc1 Amb19435376 [0,1,0,0,0,1|2,0,0]=4 963 B17R1.16318 NC(=O)CN(C(=O)CCOc1ccccc1)C Amb17252800 [0,1,0,0,0,1|2,0,0]=4 964 B17R1.26833 CC(CO)CNC(=O)COCc1ccccc1 Amb25314913 [0,1,0,0,0,1|0,0,2]=4 965 B17R1.26833 CNC(=O)CNC(C)COCc1ccccc1 Amb25335901 [0,1,0,0,0,1|1,0,1]=4 966 B17R1.26833 COC(=O)CNC(=O)CSCc1ccccc1 Amb1958129 [0,1,0,0,0,1|0,1,0]=3 967 B17R1.26833 COC(=O)CNC(C)COCc1ccccc1 Amb25026565 [0,1,0,0,0,1|1,0,1]=4 968 B17R1.26833 ClCC(=O)NNC(=O)CCOc1ccccc1 Amb17355852 [0,1,0,0,0,1|2,0,0]=4 969 B17R1.26833 OCC(O)CNC(=O)COCc1ccccc1 Amb25708083 [0,1,0,0,0,1|0,0,2]=4 970 B17R1.104771 CC(C)(C)CNC(=O)NOCc1ccccc1 Amb19466116 [0,1,0,0,0,1|1,0,1]=4 971 B17R1.1421 COc1ccccc1CNC(=O)CCC(=O)C Amb16886473 [0,2,0,0,0,0|2,0,0]=4 972 B17R1.9013 CN(CC(N)=O)C(=O)CCc1ccccc1Br Amb19447065 [0,2,0,0,0,0|2,0,0]=4 973 B17R1.9013 CN(CC(N)=O)C(=O)CCc1ccccc1Cl Amb19435370 [0,2,0,0,0,0|2,0,0]=4 974 B17R1.9013 CN(CC(O)=O)C(=O)CCc1ccccc1Br Amb24890362 [0,2,0,0,0,0|2,0,0]=4 975 B17R1.9014 C[C@H](NC(=O)CCc1ccccc1O)C(O)=O Amb24788296 [0,2,0,0,0,0|2,0,0]=4 976 B17R1.9014 O=C(N[C@H](C(=O)O)C)NCc1ccccc1C Amb17042519 [0,2,0,0,0,0|2,0,0]=4 977 B17R1.9042 CNC(=O)CNC(=O)CCc1ccccc1Cl Amb21621567 [0,2,0,0,0,0|1,0,0]=3 978 B17R1.9042 CNC(=O)CNC(=O)CCc1ccccc1O Amb21431237 [0,2,0,0,0,0|1,0,0]=3 979 B17R1.9042 COC(=O)CCC(=O)NCc1ccccc1C Amb17408901 [0,2,0,0,0,0|2,0,0]=4 980 B17R1.9042 COC(=O)CCC(=O)NCc1ccccc1Cl Amb2157721 [0,2,0,0,0,0|2,0,0]=4 981 B17R1.9042 COC(=O)CCC(=O)NCc1ccccc1F Amb17410015 [0,2,0,0,0,0|2,0,0]=4 982 B17R1.9042 COC(=O)CNC(=O)CCc1ccccc1F Amb20707312 [0,2,0,0,0,0|1,0,0]=3 983 B17R1.9042 COC(=O)CNC(=O)CNc1ccccc1Cl Amb21540522 [0,2,0,0,0,0|2,0,0]=4 984 B17R1.9042 Cc1ccccc1COC(=O)CCC(=O)CN Amb24106363 [0,2,0,0,0,0|1,0,0]=3 985 B17R1.9099 NC(=O)CNC(=O)CCc1cc(F)ccc1Br Amb24280191 [0,2,0,0,0,0|2,0,0]=4 986 B17R1.9099 OC(=O)CNC(=O)CCc1cc(Cl)ccc1Br Amb25574049 [0,2,0,0,0,0|2,0,0]=4 987 B17R1.9099 OC(=O)CNC(=O)CCc1cc(F)ccc1Br Amb25597258 [0,2,0,0,0,0|2,0,0]=4 988 B17R1.9099 Oc1ccc(cc1CCC(=O)NCC(=O)O)Cl Amb17146042 [0,2,0,0,0,0|2,0,0]=4 989 B17R1.192 COc1ccc(cc1)CNC(=O)CCC(=O)C Amb16886474 [0,2,0,0,0,0|2,0,0]=4 990 B17R1.192 COc1ccc(cc1)COC(=O)NN=C(C)C Amb1014684 [0,2,0,0,0,0|2,0,0]=4 991 B17R1.1062 Cc1cc(CCC(=O)NCC(O)=O)ccc1Br Amb24844343 [0,2,0,0,0,0|2,0,0]=4 992 B17R1.1078 CC(C(=O)O)NC(=O)NCc1ccc(cc1)C Amb1141855 [0,2,0,0,0,0|2,0,0]=4 993 B17R1.1078 CC(C(=O)O)NC(=O)NCc1ccc(cc1)F Amb1132975 [0,2,0,0,0,0|2,0,0]=4 994 B17R1.1078 C[C@@H](NC(=O)CCc1ccc(Br)cc1)C(O)=O Amb24244178 [0,2,0,0,0,0|2,0,0]=4 995 B17R1.1078 C[C@H](C(=O)O)NC(=O)NCc1ccc(cc1)Cl Amb10246430 [0,2,0,0,0,0|2,0,0]=4 996 B17R1.1078 C[C@H](NC(=O)CCc1ccc(F)cc1)C(O)=O Amb24788264 [0,2,0,0,0,0|2,0,0]=4 997 B17R1.1078 Cc1ccc(CCC(=O)N[C@@H](C)C(O)=O)cc1 Amb24788275 [0,2,0,0,0,0|2,0,0]=4 998 B17R1.1078 O=C(NC(C(=O)O)C)CCc1ccc(cc1)Cl Amb17145847 [0,2,0,0,0,0|2,0,0]=4 999 B17R1.1121 NC(=O)CNC(=O)C(N)Cc1ccc(O)cc1 Amb22487595 [0,2,0,0,0,0|2,0,0]=4 1000 B17R1.1121 N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(O)=O Amb22735366 [0,2,0,0,0,0|2,0,0]=4 1001 B17R1.1121 OC(=O)CNC(=O)[C@@H](Cc1ccc(cc1)O)N Amb10072563 [0,2,0,0,0,0|2,0,0]=4 1002 B17R1.1402 CNC(=O)CNC(=O)CSc1ccc(F)cc1 Amb21621569 [0,2,0,0,0,0|2,0,0]=4 1003 B17R1.1402 CNC(=O)CNC(=O)NCc1ccc(Cl)cc1 Amb21414271 [0,2,0,0,0,0|1,0,0]=3 1004 B17R1.1402 CNC(=O)CNC(=O)\C=C\c1ccc(cc1)F Amb150681 [0,2,0,0,0,0|1,0,1]=4 1005 B17R1.1402 COC(=O)CCC(=O)NCc1ccc(cc1)C Amb17408880 [0,2,0,0,0,0|2,0,0]=4 1006 B17R1.1402 COC(=O)CCC(=O)NCc1ccc(cc1)Cl Amb17414648 [0,2,0,0,0,0|2,0,0]=4 1007 B17R1.1402 COC(=O)CCC(=O)NCc1ccc(cc1)F Amb17410016 [0,2,0,0,0,0|2,0,0]=4 1008 B17R1.1402 COC(=O)CNC(=O)CCc1ccc(Cl)cc1 Amb21188203 [0,2,0,0,0,0|1,0,0]=3 1009 B17R1.1402 COC(=O)CNC(=O)\C=C\c1ccc(cc1)Cl Amb1958337 [0,2,0,0,0,0|1,0,1]=4 1010 B17R1.1402 Cc1ccc(CCC(=O)NCC(=O)NC)cc1 Amb20839809 [0,2,0,0,0,0|1,0,0]=3 1011 B17R1.1402 Cc1ccc(COC(=O)CCC(=O)CN)cc1 Amb24106361 [0,2,0,0,0,0|1,0,0]=3 1012 B17R1.786 CCN(C(=O)CCC(=O)C)Cc1ccccc1 Amb17345592 [0,2,0,0,0,0|2,0,0]=4 1013 B17R1.786 SCC(C(=O)NCC(=O)O)Cc1ccccc1 Amb17620621 [0,2,0,0,0,0|2,0,0]=4 1014 B17R1.1375 CNC(=O)CNC(=O)C(C)Oc1ccccc1 Amb20703432 [0,2,0,0,0,0|2,0,0]=4 1015 B17R1.1375 CNC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 Amb24788716 [0,2,0,0,0,0|1,0,0]=3 1016 B17R1.1375 COC(=O)CCC(=O)N(Cc1ccccc1)C Amb17408881 [0,2,0,0,0,0|2,0,0]=4 1017 B17R1.1375 COC(=O)CNC(=O)C(Sc1ccccc1)C Amb11221908 [0,2,0,0,0,0|2,0,0]=4 1018 B17R1.1375 COC(=O)CNC(=O)N(C)Cc1ccccc1 Amb24577476 [0,2,0,0,0,0|1,0,0]=3 1019 B17R1.1375 COC(=O)CNC(=O)[C@@H](N)Cc1ccccc1 Amb24788768 [0,2,0,0,0,0|1,0,0]=3 1020 B17R1.1375 COC(=O)CNC(=O)\C(=C\c1ccccc1)\C Amb1859411 [0,2,0,0,0,0|1,0,1]=4 1021 B17R1.4482 CC(NC(=O)N(C)Cc1ccccc1)C(O)=O Amb24707500 [0,2,0,0,0,0|2,0,0]=4 1022 B17R1.4482 CC(NC(=O)[C@@H](N)Cc1ccccc1)C(O)=O Amb23927639 [0,2,0,0,0,0|2,0,0]=4 1023 B17R1.4482 C[C@@H](NC(=O)N(C)Cc1ccccc1)C(O)=O Amb18529300 [0,2,0,0,0,0|2,0,0]=4 1024 B17R1.4482 C[C@H](NC(=O)C(C)Cc1ccccc1)C(O)=O Amb24264315 [0,2,0,0,0,0|2,0,0]=4 1025 B17R1.14407 CC(Cc1cccc(Cl)c1)C(=O)NCC(O)=O Amb25597275 [0,2,0,0,0,0|2,0,0]=4 1026 B17R1.39616 O=C(C(Cc1ccccc1)(C)C)NCC(=O)O Amb16943027 [0,2,0,0,0,0|2,0,0]=4 1027 B17R1.913 CC(CN(C)C(=O)OCc1ccccc1)C#N Amb25810686 [0,2,0,0,0,0|1,0,1]=4 1028 B17R1.913 CCS(=O)CC(C)C(=O)OCc1ccccc1 Amb24658973 [0,2,0,0,0,0|2,0,0]=4 1029 B17R1.913 CN(CC(=O)NN)C(=O)OCc1ccccc1 Amb24546832 [0,2,0,0,0,0|1,0,0]=3 1030 B17R1.913 COC(=O)CC(N)C(=O)OCc1ccccc1 Amb24625326 [0,2,0,0,0,0|1,0,0]=3 1031 B17R1.913 COC(C)CN(C)C(=O)OCc1ccccc1 Amb25689265 [0,2,0,0,0,0|0,0,2]=4 1032 B17R1.913 C[C@@H](NC(=O)CN)C(=O)OCc1ccccc1 Amb25200208 [0,2,0,0,0,0|2,0,0]=4 1033 B17R1.913 C[C@H](NC(=O)CN)C(=O)OCc1ccccc1 Amb24504114 [0,2,0,0,0,0|2,0,0]=4 1034 B17R1.1357 CNC(=O)CNC(=O)CC(C)c1ccccc1 Amb21621582 [0,2,0,0,0,0|1,0,0]=3 1035 B17R1.1357 CNC(=O)CNC(=O)CN(c1ccccc1)C Amb11245332 [0,2,0,0,0,0|2,0,0]=4 1036 B17R1.1357 COC(=O)CNC(=O)CN(c1ccccc1)C Amb11252779 [0,2,0,0,0,0|2,0,0]=4 1037 B17R1.1403 CNC(=O)CNC(=O)CCc1cc(F)ccc1 Amb20839811 [0,2,0,0,0,0|1,0,0]=3 1038 B17R1.1403 COC(=O)CCC(=O)NCc1cccc(c1)C Amb17408903 [0,2,0,0,0,0|2,0,0]=4 1039 B17R1.1403 COC(=O)CCC(=O)NCc1cccc(c1)Cl Amb17414646 [0,2,0,0,0,0|2,0,0]=4 1040 B17R1.1403 COC(=O)CNC(=O)CCc1cccc(Cl)c1 Amb21691139 [0,2,0,0,0,0|1,0,0]=3 1041 B17R1.1403 COC(=O)CNC(=O)NCc1cccc(c1)Br Amb15197248 [0,2,0,0,0,0|1,0,0]=3 1042 B17R1.1403 Cc1cccc(CCC(=O)NCC(=O)OC)c1 Amb21188197 [0,2,0,0,0,0|1,0,0]=3 1043 B17R1.8357 CC(NC(=O)OCc1ccccc1)C(=O)CCl Amb25776559 [0,2,0,0,0,0|0,0,0]=2 1044 B17R1.8357 CC(NC(=O)OCc1ccccc1)C(C)CO Amb25810273 [0,2,0,0,0,0|0,0,2]=4 1045 B17R1.8357 CC(NC(=O)OCc1ccccc1)\C(\N)=N\O Amb24608111 [0,2,0,0,0,0|1,0,1]=4 1046 B17R1.8357 CCC(C)C(C)NC(=O)OCc1ccccc1 Amb25134213 [0,2,0,0,0,0|1,0,1]=4 1047 B17R1.8357 CN(CC(=O)OCc1ccccc1)C(=O)CN Amb25236889 [0,2,0,0,0,0|2,0,0]=4 1048 B17R1.8357 CNC(=O)C(C)NC(=O)OCc1ccccc1 Amb25246607 [0,2,0,0,0,0|0,0,0]=2 1049 B17R1.8357 CNC(=O)C(NC(=O)\C=C\c1ccccc1)C Amb11220342 [0,2,0,0,0,0|1,0,1]=4 1050 B17R1.8357 CNC(=O)C(O)CC(=O)OCc1ccccc1 Amb25304611 [0,2,0,0,0,0|1,0,0]=3 1051 B17R1.8357 CNC(=O)[C@@H](N)CC(=O)OCc1ccccc1 Amb24334377 [0,2,0,0,0,0|1,0,0]=3 1052 B17R1.8357 CNC(=O)[C@@H](NC(=O)OCc1ccccc1)C Amb11485646 [0,2,0,0,0,0|0,0,0]=2 1053 B17R1.8357 COC(=O)C(=C)NC(=O)OCc1ccccc1 Amb17935874 [0,2,0,0,0,0|0,0,1]=3 1054 B17R1.8357 COC(=O)C(C)NC(=O)CSc1ccccc1 Amb22394512 [0,2,0,0,0,0|2,0,0]=4 1055 B17R1.8357 COC(=O)C(O)NC(=O)OCc1ccccc1 Amb22263572 [0,2,0,0,0,0|0,0,0]=2 1056 B17R1.8357 COC(=O)[C@@H](C)NC(=O)COc1ccccc1 Amb19413612 [0,2,0,0,0,0|2,0,0]=4 1057 B17R1.8357 COC(=O)[C@@H](C)NC(=O)OCc1ccccc1 Amb22434298 [0,2,0,0,0,0|0,0,0]=2 1058 B17R1.8357 COC(=O)[C@@H](N)CC(=O)NCc1ccccc1 Amb24567713 [0,2,0,0,0,0|2,0,0]=4 1059 B17R1.8357 COC(=O)[C@H](C)NC(=O)CNc1ccccc1 Amb24786719 [0,2,0,0,0,0|2,0,0]=4 1060 B17R1.8357 COC(=O)[C@H](C)NC(=O)OCc1ccccc1 Amb22434294 [0,2,0,0,0,0|0,0,0]=2 1061 B17R1.8357 COC(=O)[C@H](N)CC(=O)OCc1ccccc1 Amb25343720 [0,2,0,0,0,0|1,0,0]=3 1062 B17R1.8357 C[C@@H](NC(=O)OCc1ccccc1)C(=O)NN Amb22737264 [0,2,0,0,0,0|1,0,0]=3 1063 B17R1.8357 C[C@H](NC(=O)NCc1ccccc1)C(=O)NO Amb25145440 [0,2,0,0,0,0|2,0,0]=4 1064 B17R1.8357 C[C@H](NC(=O)OCc1ccccc1)C(=O)CCl Amb20243111 [0,2,0,0,0,0|0,0,0]=2 1065 B17R1.8357 NNC(=O)C(NC(=O)OCc1ccccc1)C Amb17596494 [0,2,0,0,0,0|1,0,0]=3 1066 B17R1.8357 NNC(=O)[C@@H](N)CC(=O)OCc1ccccc1 Amb24441808 [0,2,0,0,0,0|2,0,0]=4 1067 B17R1.13184 CC(C)(CBr)CNC(=O)OCc1ccccc1 Amb25074795 [0,2,0,0,0,0|1,0,1]=4 1068 B17R1.13184 CC(C)(CNC(=O)OCc1ccccc1)C#N Amb25142813 [0,2,0,0,0,0|1,0,1]=4 1069 B17R1.13184 CC(C)(CO)CNC(=O)OCc1ccccc1 Amb23402033 [0,2,0,0,0,0|0,0,2]=4 1070 B17R1.13184 CC(O)(CNC(=O)OCc1ccccc1)CO Amb25190774 [0,2,0,0,0,0|0,0,2]=4 1071 B17R1.13184 CCC(C)(O)CNC(=O)OCc1ccccc1 Amb25746086 [0,2,0,0,0,0|0,0,2]=4 1072 B17R1.13184 COC(C)(C)CNC(=O)OCc1ccccc1 Amb24689703 [0,2,0,0,0,0|0,0,2]=4 1073 B17R1.13184 COP(O)(=O)CNC(=O)OCc1ccccc1 Amb22471705 [0,2,0,0,0,0|1,0,0]=3 1074 B17R1.13184 CSC(C)(C)CNC(=O)OCc1ccccc1 Amb25173301 [0,2,0,0,0,0|0,1,1]=4 1075 B17R1.18527 CC(CCO)CNC(=O)OCc1ccccc1 Amb25745460 [0,2,0,0,0,0|0,0,2]=4 1076 B17R1.18527 CC(CNC(=O)OCc1ccccc1)CNN Amb25025848 [0,2,0,0,0,0|1,0,1]=4 1077 B17R1.18527 CCCC(=O)NCC(=O)OCc1ccccc1 Amb20695634 [0,2,0,0,0,0|2,0,0]=4 1078 B17R1.18527 CCNC(=O)CNC(=O)CNc1ccccc1 Amb24786523 [0,2,0,0,0,0|2,0,0]=4 1079 B17R1.18527 CCNC(=O)CNC(=O)COc1ccccc1 Amb2280147 [0,2,0,0,0,0|2,0,0]=4 1080 B17R1.18527 CCNC(=O)CNC(=O)NCc1ccccc1 Amb16018733 [0,2,0,0,0,0|1,0,0]=3 1081 B17R1.18527 CCOC(=O)CNC(=O)CNc1ccccc1 Amb24786800 [0,2,0,0,0,0|2,0,0]=4 1082 B17R1.18527 CCOC(=O)CNC(=O)COc1ccccc1 Amb1825260 [0,2,0,0,0,0|2,0,0]=4 1083 B17R1.18527 CCOC(=O)CNC(=O)NCc1ccccn1 Amb2136472 [0,2,0,0,0,0|2,0,0]=4 1084 B17R1.18527 CCOC(=O)CNC(=O)OCc1ccccc1 Amb2239869 [0,2,0,0,0,0|0,0,0]=2 1085 B17R1.18527 COCC(O)CNC(=O)OCc1ccccc1 Amb25810178 [0,2,0,0,0,0|0,0,2]=4 1086 B17R1.18527 CONC(=O)CNC(=O)COc1ccccc1 Amb20921776 [0,2,0,0,0,0|2,0,0]=4 1087 B17R1.18527 CSCC(C)CNC(=O)OCc1ccccc1 Amb25717859 [0,2,0,0,0,0|0,1,1]=4 1088 B17R1.18527 N#CNC(=O)CNC(=O)OCc1ccccc1 Amb25746211 [0,2,0,0,0,0|0,0,1]=3 1089 B17R1.19379 COC(CNC(=O)OCc1ccccc1)CC Amb25064473 [0,2,0,0,0,0|0,0,2]=4 1090 B17R1.19379 COC(CNC(=O)OCc1ccccc1)OC Amb22497181 [0,2,0,0,0,0|0,0,2]=4 1091 B17R1.26714 COC(=O)CNS(=O)(=O)NCc1ccccc1 Amb25322671 [0,2,0,0,0,0|2,0,0]=4 1092 B17R1.4466 CC(c1ccccc1)NC(=O)N[C@@H](C(=O)O)C Amb10235566 [0,2,0,0,0,0|2,0,0]=4 1093 B17R1.8894 CC(C(O)=O)N(C)C(=O)CCc1ccccc1 Amb25402331 [0,2,0,0,0,0|2,0,0]=4 1094 B17R1.8894 CC(C)C(C)N(C)C(=O)OCc1ccccc1 Amb25234972 [0,2,0,0,0,0|1,0,1]=4 1095 B17R1.8894 C[C@@H](N(C(=O)OCc1ccccc1)C)C(=O)O Amb10576185 [0,2,0,0,0,0|1,0,0]=3 1096 B17R1.8894 NC(C(O)C(=O)OCc1ccccc1)C(O)=O Amb25663135 [0,2,0,0,0,0|2,0,0]=4 1097 B17R1.8894 N[C@@H]([C@H](O)C(=O)OCc1ccccc1)C(O)=O Amb25296923 [0,2,0,0,0,0|2,0,0]=4 1098 B17R1.8894 N[C@H]([C@@H](O)C(=O)OCc1ccccc1)C(O)=O Amb25747047 [0,2,0,0,0,0|2,0,0]=4 1099 B17R1.14358 C[C@H](NC(=O)CCc1cc(Br)ccc1)C(O)=O Amb24788216 [0,2,0,0,0,0|2,0,0]=4 1100 B17R1.14358 O=C(N[C@H](C(=O)O)C)NCc1cccc(c1)C Amb17042520 [0,2,0,0,0,0|2,0,0]=4 1101 B17R1.19899 C=C[C@@H](NC(=O)OCc1ccccc1)C(O)=O Amb24087470 [0,2,0,0,0,0|1,0,0]=3 1102 B17R1.19899 C=C[C@H](NC(=O)OCc1ccccc1)C(O)=O Amb24087471 [0,2,0,0,0,0|1,0,0]=3 1103 B17R1.19899 CC(C)C(C#C)NC(=O)OCc1ccccc1 Amb25833786 [0,2,0,0,0,0|1,0,1]=4 1104 B17R1.19899 CC(C)C(C=O)NC(=O)OCc1ccccc1 Amb25024342 [0,2,0,0,0,0|1,0,1]=4 1105 B17R1.19899 CC(C)C(CN)NC(=O)OCc1ccccc1 Amb25745509 [0,2,0,0,0,0|1,0,1]=4 1106 B17R1.19899 CC(C)C(CO)NC(=O)OCc1ccccc1 Amb22481165 [0,2,0,0,0,0|1,0,1]=4 1107 B17R1.19899 CC(C)[C@@H](C#N)NC(=O)OCc1ccccc1 Amb20240821 [0,2,0,0,0,0|1,0,1]=4 1108 B17R1.19899 CC(C)[C@@H](CO)NC(=O)OCc1ccccc1 Amb22801213 [0,2,0,0,0,0|1,0,1]=4 1109 B17R1.19899 CC(C)[C@H](CO)NC(=O)OCc1ccccc1 Amb25201757 [0,2,0,0,0,0|1,0,1]=4 1110 B17R1.19899 CC(O)C(CC)NC(=O)OCc1ccccc1 Amb24725541 [0,2,0,0,0,0|0,0,2]=4 1111 B17R1.19899 CC(O)C(CO)NC(=O)OCc1ccccc1 Amb25069678 [0,2,0,0,0,0|0,0,2]=4 1112 B17R1.19899 CCC(CC(=O)OCc1ccccc1)C(O)=O Amb25662339 [0,2,0,0,0,0|2,0,0]=4 1113 B17R1.19899 CCC(NC(=O)OCc1ccccc1)C(N)=O Amb25830439 [0,2,0,0,0,0|1,0,0]=3 1114 B17R1.19899 CC[C@@H](CC(=O)OCc1ccccc1)C(O)=O Amb25135793 [0,2,0,0,0,0|2,0,0]=4 1115 B17R1.19899 CC[C@@H](NC(=O)NCc1ccccc1)C(O)=O Amb25026240 [0,2,0,0,0,0|2,0,0]=4 1116 B17R1.19899 CC[C@H](CC(=O)OCc1ccccc1)C(O)=O Amb24458605 [0,2,0,0,0,0|2,0,0]=4 1117 B17R1.19899 CSC(NC(=O)OCc1ccccc1)C(O)=O Amb24689458 [0,2,0,0,0,0|1,0,0]=3 1118 B17R1.19899 C[C@@H](O)[C@@H](CO)NC(=O)OCc1ccccc1 Amb19944348 [0,2,0,0,0,0|0,0,2]=4 1119 B17R1.19899 NC(=O)C(CN)NC(=O)OCc1ccccc1 Amb25833501 [0,2,0,0,0,0|1,0,0]=3 1120 B17R1.19899 NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 Amb22750685 [0,2,0,0,0,0|1,0,0]=3 1121 B17R1.19899 NC(=O)[C@H](CO)NC(=O)OCc1ccccc1 Amb25024736 [0,2,0,0,0,0|1,0,0]=3 1122 B17R1.19899 NCC(C(=O)O)NC(=O)OCc1ccccc1 Amb17609160 [0,2,0,0,0,0|1,0,0]=3 1123 B17R1.19899 NC[C@@H](C(=O)O)NC(=O)OCc1ccccc1 Amb10603268 [0,2,0,0,0,0|1,0,0]=3 1124 B17R1.19899 NC[C@H](C(=O)O)NC(=O)OCc1ccccc1 Amb16185351 [0,2,0,0,0,0|1,0,0]=3 1125 B17R1.19899 OC(=O)C(CCl)NC(=O)OCc1ccccc1 Amb25747045 [0,2,0,0,0,0|1,0,0]=3 1126 B17R1.19899 OC(=O)C(CF)NC(=O)OCc1ccccc1 Amb23440507 [0,2,0,0,0,0|1,0,0]=3 1127 B17R1.19899 OC(=O)C(CS)NC(=O)OCc1ccccc1 Amb24416691 [0,2,0,0,0,0|1,0,0]=3 1128 B17R1.19899 OC(=O)[C@@H](CF)NC(=O)OCc1ccccc1 Amb22746503 [0,2,0,0,0,0|1,0,0]=3 1129 B17R1.19899 OC(=O)[C@@H](CO)NC(=O)NCc1ccccc1 Amb24334591 [0,2,0,0,0,0|2,0,0]=4 1130 B17R1.19899 OC(=O)[C@H](CF)NC(=O)OCc1ccccc1 Amb25847804 [0,2,0,0,0,0|1,0,0]=3 1131 B17R1.19899 OC(=O)[C@H](CO)NC(=O)NCc1ccccc1 Amb25759304 [0,2,0,0,0,0|2,0,0]=4 1132 B17R1.19899 OC[C@H](C(=O)O)NC(=O)OCc1ccccc1 Amb16185383 [0,2,0,0,0,0|1,0,0]=3 1133 B17R1.33281 CC(C)(C)C(C)NC(=O)OCc1ccccc1 Amb24504129 [0,2,0,0,0,0|1,0,1]=4 1134 B17R1.33281 CC(C)(O)C(C)NC(=O)OCc1ccccc1 Amb25810285 [0,2,0,0,0,0|0,0,2]=4 1135 B17R1.33281 CC(NC(=O)OCc1ccccc1)P(C)(O)=O Amb22450946 [0,2,0,0,0,0|1,0,0]=3 1136 B17R1.103627 CC(C)(CC(=O)OCc1ccccc1)C(O)=O Amb25745773 [0,2,0,0,0,0|2,0,0]=4 1137 B17R1.103627 CC(C)(NC(=O)OCc1ccccc1)C(C)O Amb25264248 [0,2,0,0,0,0|0,0,2]=4 1138 B17R1.103627 CC(C)(NC(=O)OCc1ccccc1)C(N)=O Amb22728887 [0,2,0,0,0,0|1,0,0]=3 1139 B17R1.103627 CC(N)(NC(=O)OCc1ccccc1)C(N)=O Amb25332092 [0,2,0,0,0,0|1,0,0]=3 1140 B17R1.103627 CC(N)(NC(=O)OCc1ccccc1)C(O)=O Amb25725573 [0,2,0,0,0,0|1,0,0]=3 1141 B17R1.103627 O=C(NC(C(=O)O)(C)C)NCc1ccccc1 Amb1133773 [0,2,0,0,0,0|2,0,0]=4 1142 B17R1.2814 CC(=O)NC(CS)C(=O)OCc1ccccc1 Amb25791443 [0,2,0,0,0,0|2,0,0]=4 1143 B17R1.2814 CC(C)CN(C#N)C(=O)OCc1ccccc1 Amb25026627 [0,2,0,0,0,0|1,0,1]=4 1144 B17R1.2814 CCN(C(=O)CCc1ccccc1)CC(=C)C Amb10614310 [0,2,0,0,0,0|2,0,0]=4 1145 B17R1.2814 CCN(C(=O)CCc1ccccc1)CC(=O)O Amb17408859 [0,2,0,0,0,0|2,0,0]=4 1146 B17R1.2814 CCN(CC(N)=O)C(=O)NCc1ccccc1 Amb24752082 [0,2,0,0,0,0|2,0,0]=4 1147 B17R1.2814 CON(CC(C)C)C(=O)OCc1ccccc1 Amb24619377 [0,2,0,0,0,0|1,0,1]=4 1148 B17R1.14357 CN(CC(N)=O)C(=O)CCc1cccc(Cl)c1 Amb19435334 [0,2,0,0,0,0|2,0,0]=4 1149 B17R1.16507 CC(=O)OC(C)(C)C(=O)OCc1ccccc1 Amb25145256 [0,2,0,0,0,0|2,0,0]=4 1150 B17R1.33290 CN(CC(C)(C)O)C(=O)OCc1ccccc1 Amb24708928 [0,2,0,0,0,0|0,0,2]=4 1151 B17R1.14340 OC(=O)CNC(=O)CC(O)c1cc(F)ccc1 Amb24844708 [0,2,0,0,0,0|2,0,0]=4 1152 B17R1.8189 Cc1cc(CCC(=O)NCC(O)=O)cc(C)c1 Amb25597299 [0,2,0,0,0,0|2,0,0]=4 1153 B15R2.16 C=CC1NC(=O)OC1c2ccccc2 Amb25752400 [1,0,0,1,0,0|0,0,1]=3 1154 B15R2.16 C=C[C@H]1NC(=O)O[C@H]1c2ccccc2 Amb25226275 [1,0,0,1,0,0|0,0,1]=3 1155 B15R2.16 CC[C@@H]1NC(=O)N[C@H]1c2ccccc2 Amb24576663 [1,0,0,1,0,0|1,0,1]=4 1156 B15R2.16 CC[C@H]1NC(=O)N[C@H]1c2ccccc2 Amb24512970 [1,0,0,1,0,0|1,0,1]=4 1157 B15R2.16 O=C1NC(CCl)C(O1)c2ccccc2 Amb25040003 [1,0,0,1,0,0|1,0,1]=4 1158 B15R2.16 O=C1N[C@@H](CCl)[C@@H](O1)c2ccccc2 Amb24615394 [1,0,0,1,0,0|1,0,1]=4 1159 B15R2.16 OC[C@H]1NC(=O)O[C@H]1c2ccccc2 Amb24577414 [1,0,0,1,0,0|0,0,2]=4 1160 B15R2.33 CC1=CNC(=O)NC1c2ccccc2 Amb25101962 [1,0,0,1,0,0|1,0,1]=4 1161 B15R2.33 CC1=NNC(=O)CC1c2ccccc2 Amb22752108 [1,0,0,1,0,0|2,0,0]=4 1162 B15R2.33 CC1CNC(=O)CC1c2ccccc2 Amb24624648 [1,0,0,1,0,0|1,0,1]=4 1163 B15R2.33 CC1CNC(=O)OC1c2ccccc2 Amb24393410 [1,0,0,1,0,0|0,0,1]=3 1164 B15R2.33 C[C@@H]1CNC(=O)O[C@H]1c2ccccc2 Amb25226347 [1,0,0,1,0,0|0,0,1]=3 1165 B15R2.33 O=C1CCC(=O)NC1c2ccccc2 Amb25104188 [1,0,0,1,0,0|2,0,0]=4 1166 B15R2.33 O=C1CNC(=O)CN1c2ccccc2 Amb25825947 [1,0,0,1,0,0|2,0,0]=4 1167 B15R2.33 O=C1N[C@@H](c2ccccc2)C(=O)CO1 Amb24386496 [1,0,0,1,0,0|2,0,0]=4 1168 B15R2.38 O=C1NCC=CN1Cc2ccccc2 Amb24642521 [1,0,0,1,0,0|1,0,1]=4 1169 B15R2.38 O=C1NCCCC1Cc2ccccc2 Amb10564225 [1,0,0,1,0,0|1,0,1]=4 1170 B15R2.38 O=C1NCCCN1Cc2ccccc2 Amb24082235 [1,0,0,1,0,0|1,0,1]=4 1171 B15R2.283 O=C1CNC(=N1)SCc2ccccc2 Amb24366694 [1,0,0,1,0,0|1,1,0]=4 1172 B15R2.352 C=CCNC1=Nc2ccccc2CO1 Amb24506397 [1,0,0,1,0,0|1,0,1]=4 1173 B15R2.355 O=C1CCC(=O)N1Cc2ccccc2 Amb1773665 [1,0,0,1,0,0|2,0,0]=4 1174 B15R2.355 O=C1CNC(=O)N1Cc2cc[n]cc2 Amb24698551 [1,0,0,1,0,0|2,0,0]=4 1175 B15R2.355 O=C1CNC(=O)N1Cc2cccc[n]2 Amb25273482 [1,0,0,1,0,0|2,0,0]=4 1176 B15R2.355 O=C1COC(=O)C1Cc2ccccc2 Amb24559576 [1,0,0,1,0,0|2,0,0]=4 1177 B15R2.355 O=C1COC(=O)N1Cc2ccccc2 Amb24097490 [1,0,0,1,0,0|2,0,0]=4 1178 B15R2.355 O=C1NCC(=O)N1Cc2ccccc2 Amb10771267 [1,0,0,1,0,0|1,0,0]=3 1179 B15R2.355 O=C1NCC(=S)N1Cc2ccccc2 Amb24680315 [1,0,0,1,0,0|1,1,0]=4 1180 B15R2.355 O=C1SCC(=O)N1Cc2ccccc2 Amb1548507 [1,0,0,1,0,0|2,0,0]=4 1181 B15R2.505 C[C@@H]1CN1C(=O)OCc2ccccc2 Amb23401484 [1,0,0,1,0,0|0,0,1]=3 1182 B15R2.543 O=C1CC(CCCN1)c2ccccc2 Amb24716771 [1,0,0,1,0,0|1,0,1]=4 1183 B15R2.9941 COCN1C(=O)CCc2ccccc12 Amb22264606 [1,0,0,1,0,0|2,0,0]=4 1184 B15R2.9941 O=C1C=Cc2ccccc2N1CC=O Amb24628423 [1,0,0,1,0,0|1,0,1]=4 1185 B15R2.9941 O=C1C=Nc2ccccc2N1CC=O Amb19077103 [1,0,0,1,0,0|2,0,0]=4 1186 B15R2.9941 O=C1CCc2ccccc2N1CC=O Amb19077668 [1,0,0,1,0,0|1,0,0]=3 1187 B15R2.9941 O=C1CNc2ccccc2N1CC=O Amb24743822 [1,0,0,1,0,0|2,0,0]=4 1188 B15R2.9941 O=C1COc2ccccc2N1CC=O Amb19078448 [1,0,0,1,0,0|2,0,0]=4 1189 B15R2.9941 O=C1CSc2ccccc2N1CC=O Amb25312654 [1,0,0,1,0,0|2,0,0]=4 1190 B15R2.24490 O=C(OCc1ccccc1)C2CNC2 Amb22642168 [1,0,0,1,0,0|2,0,0]=4 1191 B15R2.24494 O=C(NC1CC1)OCc2ccccc2 Amb25103364 [1,0,0,1,0,0|0,0,1]=3 1192 B15R2.24494 O=C(NCc1ccccc1)NC2CC2 Amb24630360 [1,0,0,1,0,0|1,0,1]=4 1193 B15R2.6 CC(=O)NNC1=NCc2ccccc12 Amb24756797 [1,0,0,1,0,0|2,0,0]=4 1194 B15R2.617 O=C1CC(C1)COCc2ccccc2 Amb10873134 [1,0,0,1,0,0|1,0,1]=4 1195 B15R2.29 O=C1CNC(Cc2ccccc2)=NC1 Amb24444321 [0,0,0,1,1,0|1,0,0]=3 1196 B15R2.29 O=C1CNC(Cc2ccccc2)=NO1 Amb24522022 [0,0,0,1,1,0|2,0,0]=4 1197 B15R2.356 O=C1Cc2ccccc2NC(=O)CN1 Amb24336643 [0,0,0,1,1,0|1,0,0]=3 1198 B15R2.491 CC1CC1NC(=O)Oc2ccccc2 Amb25296826 [0,0,0,1,1,0|1,0,1]=4 1199 B15R2.596 OC1CN(C1)C(=O)Oc2ccccc2 Amb24649823 [0,0,0,1,1,0|0,0,2]=4 1200 B15R2.621 CC(C)C1NC(=O)C1c2ccccc2 Amb25683433 [0,0,0,1,1,0|1,0,1]=4 1201 B15R2.988 CC(=O)C1=CC(=O)Oc2ccccc21 Amb24574177 [0,0,0,1,1,0|1,0,1]=4 1202 B15R2.988 CC(C)C1NC(=O)Cc2ccccc21 Amb23454631 [0,0,0,1,1,0|1,0,1]=4 1203 B15R2.988 OC(=O)C1CC(=O)Oc2ccccc21 Amb23590642 [0,0,0,1,1,0|2,0,0]=4 1204 B15R2.988 OC(=O)C1NC(=O)Nc2ccccc21 Amb22499964 [0,0,0,1,1,0|2,0,0]=4 1205 B15R2.988 OC(=O)C1NC(=O)Oc2ccccc21 Amb25255547 [0,0,0,1,1,0|1,0,0]=3 1206 B15R2.993 C=C(Br)CN1C(=O)Oc2ccccc12 Amb25824391 [0,0,0,1,1,0|1,0,1]=4 1207 B15R2.993 CC(=C)CN1C(=O)Nc2ccccc12 Amb20285704 [0,0,0,1,1,0|2,0,0]=4 1208 B15R2.993 CC(=C)CN1C(=O)Oc2ccc[n]c12 Amb18407358 [0,0,0,1,1,0|2,0,0]=4 1209 B15R2.993 CC(=O)CN1c2[n]cccc2OC1=O Amb19128902 [0,0,0,1,1,0|1,0,0]=3 1210 B15R2.993 CC(=O)CN1c2ccccc2OC1=O Amb18330242 [0,0,0,1,1,0|0,0,0]=2 1211 B15R2.993 CC(=O)C[C@H]1c2ccccc2NC1=O Amb24336758 [0,0,0,1,1,0|2,0,0]=4 1212 B15R2.993 CC(=O)C[n]1c(N)[n]c2ccccc12 Amb18115467 [0,0,0,1,1,0|2,0,0]=4 1213 B15R2.993 CC(=O)NC1c2ccccc2OC1=O Amb25276239 [0,0,0,1,1,0|2,0,0]=4 1214 B15R2.993 CC(=O)N[n]1c2ccccc2[nH]c1=O Amb24072054 [0,0,0,1,1,0|2,0,0]=4 1215 B15R2.993 CC(=O)\N=C\1/c2ccccc2OC1=O Amb24072937 [0,0,0,1,1,0|2,0,0]=4 1216 B15R2.993 CC(C)CN1C(=O)Oc2ccccc12 Amb20031444 [0,0,0,1,1,0|1,0,1]=4 1217 B15R2.993 CC(N)CN1C(=O)Oc2ccccc12 Amb18949317 [0,0,0,1,1,0|1,0,1]=4 1218 B15R2.993 CC(N)CN1C(=O)Oc2ccccc12 Amb21955881 [0,0,0,1,1,0|1,0,1]=4 1219 B15R2.993 CC(O)CN1C(=O)Oc2ccccc12 Amb19050924 [0,0,0,1,1,0|0,0,2]=4 1220 B15R2.993 C[C@@H](O)CN1C(=O)Oc2ccccc12 Amb25139196 [0,0,0,1,1,0|0,0,2]=4 1221 B15R2.993 C[C@H](N)CN1C(=O)Oc2ccccc12 Amb20018766 [0,0,0,1,1,0|1,0,1]=4 1222 B15R2.993 Cc1cc2ccccc2[n]1CC(C)=O Amb19076490 [0,0,0,1,1,0|1,0,1]=4 1223 B15R2.993 NC(=O)CN1c2[n]cccc2OC1=O Amb19128829 [0,0,0,1,1,0|2,0,0]=4 1224 B15R2.993 NC(=O)CN1c2ccccc2OC1=O Amb19078797 [0,0,0,1,1,0|1,0,0]=3 1225 B15R2.993 NC(=O)CN1c2ccccc2SC1=O Amb19519770 [0,0,0,1,1,0|1,1,0]=4 1226 B15R2.993 O=C1Oc2ccccc2N1CC(=O)Cl Amb21936567 [0,0,0,1,1,0|1,0,0]=3 1227 B15R2.993 OC(=O)CN1c2[n]cccc2OC1=O Amb18537759 [0,0,0,1,1,0|2,0,0]=4 1228 B15R2.993 OC(=O)CN1c2ccc[n]c2OC1=O Amb18621665 [0,0,0,1,1,0|2,0,0]=4 1229 B15R2.993 OC(=O)CN1c2ccccc2NC1=O Amb17933907 [0,0,0,1,1,0|2,0,0]=4 1230 B15R2.993 OC(=O)CN1c2ccccc2OC1=O Amb18003954 [0,0,0,1,1,0|1,0,0]=3 1231 B15R2.993 OC(=O)CN1c2ccccc2SC1=O Amb18012101 [0,0,0,1,1,0|1,1,0]=4 1232 B15R2.993 OC(=O)Cn1c(=O)sc2c1cccc2 Amb16205845 [0,0,0,1,1,0|1,1,0]=4 1233 B15R2.1256 O=C(NCC1CC1)Oc2ccccc2 Amb24271481 [0,0,0,1,1,0|1,0,1]=4 1234 B15R2.1660 CC(=O)CCc1[n]c2ccccc2o1 Amb25181980 [0,0,0,1,1,0|2,0,0]=4 1235 B15R2.1660 CC(=O)CSc1nc2c(o1)cccc2 Amb2456119 [0,0,0,1,1,0|2,0,0]=4 1236 B15R2.1660 OC(=O)CNc1[n]c2ccccc2o1 Amb18971049 [0,0,0,1,1,0|2,0,0]=4 1237 B15R2.27 C=C1CC(NC(=O)C1)c2ccccc2 Amb24644062 [0,0,0,1,1,0|2,0,0]=4 1238 B15R2.27 CC1=CC(CC(=O)N1)c2ccccc2 Amb25298622 [0,0,0,1,1,0|2,0,0]=4 1239 B15R2.27 CC=1CC(=O)N[C@H](C1)c2ccccc2 Amb24411588 [0,0,0,1,1,0|2,0,0]=4 1240 B15R2.27 C[C@@H]1C[C@H](OC(=O)N1)c2ccccc2 Amb25229570 [0,0,0,1,1,0|1,0,1]=4 1241 B15R2.27 NC=1NC(=O)CC(N1)c2ccccc2 Amb19888766 [0,0,0,1,1,0|2,0,0]=4 1242 B15R2.27 O=C1C=C(OC(=O)N1)c2ccccc2 Amb19665558 [0,0,0,1,1,0|0,0,2]=4 1243 B15R2.27 O=C1CC(=O)CC(C1)c2ccccn2 Amb16231152 [0,0,0,1,1,0|2,0,0]=4 1244 B15R2.27 O=C1CC(=O)CC(C1)c2cccnc2 Amb16231151 [0,0,0,1,1,0|2,0,0]=4 1245 B15R2.27 O=C1CC(=O)OC(=C1)c2ccccc2 Amb25771222 [0,0,0,1,1,0|0,0,2]=4 1246 B15R2.27 O=C1CC(CC(=O)C1)c2ccncc2 Amb16231150 [0,0,0,1,1,0|2,0,0]=4 1247 B15R2.27 O=C1CC(CC(=O)N1)c2ccccc2 Amb10553540 [0,0,0,1,1,0|1,0,0]=3 1248 B15R2.27 O=C1CC(CC(=O)N1)c2ccncc2 Amb17401390 [0,0,0,1,1,0|2,0,0]=4 1249 B15R2.27 O=C1CC(CC(=O)O1)c2ccccc2 Amb17401374 [0,0,0,1,1,0|2,0,0]=4 1250 B15R2.27 O=C1CC(NC(=O)C1)c2ccccc2 Amb17935653 [0,0,0,1,1,0|1,0,0]=3 1251 B15R2.27 O=C1CC(NC(=S)N1)c2ccccc2 Amb20093411 [0,0,0,1,1,0|1,1,0]=4 1252 B15R2.27 O=C1C[C@@H](NC(=O)C1)c2cccc[n]2 Amb24713596 [0,0,0,1,1,0|2,0,0]=4 1253 B15R2.27 O=C1NC(=O)CC(C1)c2ccccn2 Amb17401382 [0,0,0,1,1,0|2,0,0]=4 1254 B15R2.27 O=C1NC(=O)CC(C1)c2cccnc2 Amb17401386 [0,0,0,1,1,0|2,0,0]=4 1255 B15R2.27 O=C1NC(=O)CC(S1)c2ccccc2 Amb20018956 [0,0,0,1,1,0|0,1,0]=3 1256 B15R2.27 O=C1NC(CC(=O)N1)c2cccc[n]2 Amb24507497 [0,0,0,1,1,0|2,0,0]=4 1257 B15R2.27 O=C1N[C@@H](CC(=O)N1)c2ccccc2 Amb25251841 [0,0,0,1,1,0|1,0,0]=3 1258 B15R2.27 O=C1N[C@H](CC(=O)O1)c2ccccc2 Amb24499955 [0,0,0,1,1,0|2,0,0]=4 1259 B15R2.27 OC1CC(=O)CC(O1)c2ccccc2 Amb25813801 [0,0,0,1,1,0|0,0,2]=4 1260 B15R2.27 O[C@@H]1C[C@H](OC(=O)C1)c2ccccc2 Amb24519688 [0,0,0,1,1,0|0,0,2]=4 1261 B15R2.27 O[C@H]1C[C@H](OC(=O)C1)c2ccccc2 Amb25257079 [0,0,0,1,1,0|0,0,2]=4 1262 B15R2.325 CC1=CN(Cc2ccccc2)C(=O)N1 Amb24418432 [0,0,0,1,1,0|2,0,0]=4 1263 B15R2.325 O=C/1NC(=O)C\C1=C/c2ccccc2 Amb17972660 [0,0,0,1,1,0|1,0,1]=4 1264 B15R2.325 O=C1CC(=NN1Cc2ccccc2)C Amb1677748 [0,0,0,1,1,0|2,0,0]=4 1265 B15R2.325 O=C1CC(=O)N(C1)Cc2c[n]ccc2 Amb24376858 [0,0,0,1,1,0|2,0,0]=4 1266 B15R2.325 O=C1CC(=O)N(C1)Cc2cc[n]cc2 Amb25068264 [0,0,0,1,1,0|2,0,0]=4 1267 B15R2.325 O=C1CC(=O)N(C1)Cc2cccc[n]2 Amb25339993 [0,0,0,1,1,0|2,0,0]=4 1268 B15R2.325 O=C1CC(=O)N(C1)Cc2ccccc2 Amb23533819 [0,0,0,1,1,0|1,0,0]=3 1269 B15R2.325 O=C1CC(=O)N[C@@H]1Cc2ccccc2 Amb18820500 [0,0,0,1,1,0|2,0,0]=4 1270 B15R2.325 O=C1CC(=O)N[C@H]1Cc2ccccc2 Amb25791037 [0,0,0,1,1,0|2,0,0]=4 1271 B15R2.325 O=C1CC(Cc2c[n]ccc2)C(=O)N1 Amb18467717 [0,0,0,1,1,0|2,0,0]=4 1272 B15R2.325 O=C1CC(Cc2cc[n]cc2)C(=O)N1 Amb18467718 [0,0,0,1,1,0|2,0,0]=4 1273 B15R2.325 O=C1CC(Cc2cccc[n]2)C(=O)N1 Amb18467716 [0,0,0,1,1,0|2,0,0]=4 1274 B15R2.325 O=C1CN(Cc2c[n]ccc2)C(=O)N1 Amb24381681 [0,0,0,1,1,0|2,0,0]=4 1275 B15R2.325 O=C1C[C@H](Cc2ccccc2)C(=O)O1 Amb22226487 [0,0,0,1,1,0|2,0,0]=4 1276 B15R2.325 O=C1NC(=O)CC1Cc2ccccc2 Amb17470703 [0,0,0,1,1,0|1,0,0]=3 1277 B15R2.325 O=C1NC(=O)CC1Nc2ccccc2 Amb1100958 [0,0,0,1,1,0|2,0,0]=4 1278 B15R2.325 O=C1NC(=O)NC1Cc2ccccc2 Amb1640354 [0,0,0,1,1,0|2,0,0]=4 1279 B15R2.325 O=C1NC(=O)ON1Cc2ccccc2 Amb21858931 [0,0,0,1,1,0|2,0,0]=4 1280 B15R2.325 O=C1NC(=O)SC1Cc2ccccc2 Amb2480684 [0,0,0,1,1,0|2,0,0]=4 1281 B15R2.325 S=C1NC(=O)CN1Cc2ccccc2 Amb10663862 [0,0,0,1,1,0|1,1,0]=4 1282 B15R2.327 CC1(C)CC(=O)OC1c2ccccc2 Amb24463687 [0,0,0,1,1,0|1,0,1]=4 1283 B15R2.1157 O=C1CC(=O)Nc2ccccc2CO1 Amb25824720 [0,0,0,1,1,0|1,0,0]=3 1284 B15R2.1162 CC(=O)N1c2ccccc2CCC1=O Amb24686965 [0,0,0,1,1,0|1,0,0]=3 1285 B15R2.1224 CC(=O)NC1CC(O1)c2ccccc2 Amb25825184 [0,0,0,1,1,0|1,0,1]=4 1286 B15R2.1668 CC(=O)CC=1CCc2ccccc2C1 Amb24433358 [0,0,0,1,1,0|2,0,0]=4 1287 B15R2.1668 CC(=O)NC=1CCc2ccccc2C1 Amb24072085 [0,0,0,1,1,0|2,0,0]=4 1288 B15R2.1668 CC(=O)NC=1NCc2ccccc2N1 Amb25664350 [0,0,0,1,1,0|2,0,0]=4 1289 B15R2.133568 CC(=C)CC(=O)C1Cc2ccccc21 Amb25723497 [0,0,0,1,1,0|2,0,0]=4 1290 B15R2.328 OC(=O)[C@H]1NC(=O)O[C@@H]1c2ccco2 Amb25322137 [0,0,0,1,1,0|2,0,0]=4 1291 B17R2.3231 C=C1CN(CC1)C(=O)OCc2ccccc2 Amb25233844 [0,0,0,1,0,1|1,0,0]=3 1292 B17R2.3231 C[C@H]1CN(CC1)C(=O)OCc2ccccc2 Amb25204589 [0,0,0,1,0,1|1,0,1]=4 1293 B17R2.3231 Cc1n[nH]c(c1)C(=O)OCc2ccccc2 Amb11497170 [0,0,0,1,0,1|2,0,0]=4 1294 B17R2.3231 N[C@@H]1CCN(C1)C(=O)OCc2ccccc2 Amb10603148 [0,0,0,1,0,1|1,0,1]=4 1295 B17R2.3231 O=C(C1CCC(=O)N1)OCc2ccccc2 Amb2237096 [0,0,0,1,0,1|2,0,0]=4 1296 B17R2.3231 O=C(OCc1ccccc1)C2CNC(=O)N2 Amb24606614 [0,0,0,1,0,1|2,0,0]=4 1297 B17R2.3231 O=C(OCc1ccccc1)N2CCC(Br)C2 Amb21861118 [0,0,0,1,0,1|1,0,1]=4 1298 B17R2.3231 O=C(OCc1ccccc1)N2CCC(Cl)C2 Amb21861114 [0,0,0,1,0,1|1,0,1]=4 1299 B17R2.3231 O=C(OCc1ccccc1)N2CCC(I)C2 Amb21861122 [0,0,0,1,0,1|1,0,1]=4 1300 B17R2.3231 O=C(OCc1ccccc1)N2CCC(S)C2 Amb21861165 [0,0,0,1,0,1|0,1,1]=4 1301 B17R2.3231 O=C(OCc1ccccc1)N2CC[C@@H](Br)C2 Amb22225314 [0,0,0,1,0,1|1,0,1]=4 1302 B17R2.3231 O=C(OCc1ccccc1)N2CC[C@@H](Cl)C2 Amb22225332 [0,0,0,1,0,1|1,0,1]=4 1303 B17R2.3231 O=C(OCc1ccccc1)N2CC[C@@H](F)C2 Amb25739792 [0,0,0,1,0,1|1,0,1]=4 1304 B17R2.3231 O=C(OCc1ccccc1)N2CC[C@@H](I)C2 Amb22225349 [0,0,0,1,0,1|1,0,1]=4 1305 B17R2.3231 O=C(OCc1ccccc1)N2CC[C@@H](S)C2 Amb22225356 [0,0,0,1,0,1|0,1,1]=4 1306 B17R2.3231 O=C(OCc1ccccc1)N2CC[C@H](Br)C2 Amb22226661 [0,0,0,1,0,1|1,0,1]=4 1307 B17R2.3231 O=C(OCc1ccccc1)N2CC[C@H](Cl)C2 Amb22226673 [0,0,0,1,0,1|1,0,1]=4 1308 B17R2.3231 O=C(OCc1ccccc1)N2CC[C@H](F)C2 Amb25686246 [0,0,0,1,0,1|1,0,1]=4 1309 B17R2.3231 O=C(OCc1ccccc1)N2CC[C@H](I)C2 Amb22226687 [0,0,0,1,0,1|1,0,1]=4 1310 B17R2.3231 O=C(OCc1ccccc1)N2CC[C@H](S)C2 Amb22226698 [0,0,0,1,0,1|0,1,1]=4 1311 B17R2.3231 O=C(OCc1ccccc1)N2CS(=O)CC2 Amb25177952 [0,0,0,1,0,1|1,0,0]=3 1312 B17R2.3231 O=C(OCc1ccccc1)[C@@H]2CNC(=O)N2 Amb23598508 [0,0,0,1,0,1|2,0,0]=4 1313 B17R2.3231 O=C(OCc1ccccc1)[C@@H]2C[C@H](F)CN2 Amb24652976 [0,0,0,1,0,1|1,0,1]=4 1314 B17R2.3231 O=C1CC(CC1)C(=O)OCc2ccccc2 Amb24099393 [0,0,0,1,0,1|1,0,0]=3 1315 B17R2.3231 O=C1CC[C@@H](N1)C(=O)OCc2ccccc2 Amb24642532 [0,0,0,1,0,1|2,0,0]=4 1316 B17R2.3231 O=C1CN(CO1)C(=O)OCc2ccccc2 Amb24632651 [0,0,0,1,0,1|0,0,0]=2 1317 B17R2.3231 O=C1CNC(C1)C(=O)OCc2ccccc2 Amb25369556 [0,0,0,1,0,1|0,0,0]=2 1318 B17R2.3231 O=C1NCC(C1)C(=O)NCc2ccccc2 Amb15120713 [0,0,0,1,0,1|2,0,0]=4 1319 B17R2.3231 O=C1NCC(O1)C(=O)OCc2ccccc2 Amb24632633 [0,0,0,1,0,1|2,0,0]=4 1320 B17R2.3231 O=C1NC[C@H](O1)C(=O)OCc2ccccc2 Amb24749903 [0,0,0,1,0,1|2,0,0]=4 1321 B17R2.3231 OC1CC(NC1)C(=O)OCc2ccccc2 Amb19011977 [0,0,0,1,0,1|0,0,2]=4 1322 B17R2.3231 OC1CNC(C1)C(=O)OCc2ccccc2 Amb17615768 [0,0,0,1,0,1|0,0,2]=4 1323 B17R2.3231 O[C@@H]1C[C@@H](NC1)C(=O)OCc2ccccc2 Amb25718862 [0,0,0,1,0,1|0,0,2]=4 1324 B17R2.3231 O[C@H]1CN(OC1)C(=O)OCc2ccccc2 Amb25852110 [0,0,0,1,0,1|0,0,2]=4 1325 B17R2.3231 O[C@H]1C[C@H](NC1)C(=O)OCc2ccccc2 Amb24392377 [0,0,0,1,0,1|0,0,2]=4 1326 B17R2.3479 O=C1NC=C(C(C1)c2ccccc2)C(=O)C Amb2386703 [0,0,0,1,0,1|1,0,1]=4 1327 B17R2.3479 O=C1NC=C(C(N1)c2ccccc2)C(=O)C Amb1554715 [0,0,0,1,0,1|1,0,1]=4 1328 B17R2.5233 C=C1CC(C1)NC(=O)OCc2ccccc2 Amb25712633 [0,0,0,1,0,1|1,0,0]=3 1329 B17R2.5233 CC1CC(C1)NC(=O)OCc2ccccc2 Amb25186843 [0,0,0,1,0,1|1,0,1]=4 1330 B17R2.5233 NC1CC(C1)NC(=O)OCc2ccccc2 Amb21864605 [0,0,0,1,0,1|1,0,1]=4 1331 B17R2.5233 O=C(NC1CC(F)C1)OCc2ccccc2 Amb24094740 [0,0,0,1,0,1|1,0,1]=4 1332 B17R2.5233 O=C1CC(C1)CC(=O)OCc2ccccc2 Amb21858760 [0,0,0,1,0,1|1,0,0]=3 1333 B17R2.5233 O=C1CC(C1)NC(=O)OCc2ccccc2 Amb19516180 [0,0,0,1,0,1|0,0,0]=2 1334 B17R2.5233 OC1CC(C1)NC(=O)OCc2ccccc2 Amb20242259 [0,0,0,1,0,1|0,0,2]=4 1335 B17R2.5233 O[C@@H]1C[C@@H](C1)NC(=O)OCc2ccccc2 Amb23439796 [0,0,0,1,0,1|0,0,2]=4 1336 B17R2.5233 O[C@@H]1C[C@H](C1)NC(=O)OCc2ccccc2 Amb23439797 [0,0,0,1,0,1|0,0,2]=4 1337 B17R2.5385 OC(=O)CCN1C(=O)CCc2c1cccc2 Amb1134629 [0,0,0,1,0,1|2,0,0]=4 1338 B17R2.19841 CC(=O)C1CCC(=O)N1Cc2ccccc2 Amb22545330 [0,0,0,1,0,1|2,0,0]=4 1339 B17R2.19841 OC(=O)C1CNC(=O)N1Cc2ccccc2 Amb25121669 [0,0,0,1,0,1|2,0,0]=4 1340 B17R2.19841 OC(=O)[C@@H]1NCC(=O)[C@H]1Cc2ccccc2 Amb18768174 [0,0,0,1,0,1|2,0,0]=4 1341 B17R2.44528 OC(=O)C1CN1C(=O)OCc2ccccc2 Amb22230241 [0,0,0,1,0,1|1,0,0]=3 1342 B17R2.45566 O=C(CNCC1CC1)OCc2ccccc2 Amb24610490 [0,0,0,1,0,1|1,0,1]=4 1343 B17R2.45566 O=C(NCCC1CC1)OCc2ccccc2 Amb24677258 [0,0,0,1,0,1|1,0,1]=4 1344 B17R2.877 CC(=O)CCC(=O)N1CCc2c1cccc2 Amb16886510 [0,0,0,1,0,1|2,0,0]=4 1345 B17R2.19832 NC(=O)CN1C(=NOC1=O)c2ccccc2 Amb19451022 [0,0,0,1,0,1|1,0,1]=4 1346 B17R2.19832 OC(=O)CN1[C@@H](COC1=O)c2ccccc2 Amb22745208 [0,0,0,1,0,1|1,0,0]=3 1347 B17R2.20002 OC(=O)CN1C(=O)CCOc2c1cccc2 Amb2342330 [0,0,0,1,0,1|2,0,0]=4 1348 B17R2.42474 CC(C)C1NC(=O)C1OCc2ccccc2 Amb25370864 [0,0,0,1,0,1|1,0,1]=4 1349 B17R2.3947 OC(=O)C1CC(=O)OC1c2ccccc2Cl Amb23537884 [0,1,0,1,0,0|2,0,0]=4 1350 B17R2.3947 OC(=O)C1CC(=O)OC1c2ccccc2F Amb23537881 [0,1,0,1,0,0|2,0,0]=4 1351 B17R2.5370 OC(=O)CN1Cc2ccccc2CCC1=O Amb22893461 [0,1,0,1,0,0|2,0,0]=4 1352 B17R2.20595 O=C1CC(C1)C(=O)NCc2ccccc2Br Amb22896738 [0,1,0,1,0,0|2,0,0]=4 1353 B17R2.467 Oc1ccc(CC2NC(=O)CNC2=O)cc1 Amb18133468 [0,1,0,1,0,0|2,0,0]=4 1354 B17R2.3280 Cc1ccc(cc1)C2OC(=O)CC2C(O)=O Amb23537872 [0,1,0,1,0,0|2,0,0]=4 1355 B17R2.3280 OC(=O)C1CC(=O)OC1c2ccc(Br)cc2 Amb23537652 [0,1,0,1,0,0|2,0,0]=4 1356 B17R2.3280 OC(=O)C1CC(=O)OC1c2ccc(Cl)cc2 Amb23537885 [0,1,0,1,0,0|2,0,0]=4 1357 B17R2.3280 OC(=O)C1CC(=O)OC1c2ccc(F)cc2 Amb23537883 [0,1,0,1,0,0|2,0,0]=4 1358 B17R2.3280 OC(=O)C1CC(=O)OC1c2ccc(O)cc2 Amb23537807 [0,1,0,1,0,0|2,0,0]=4 1359 B17R2.3280 OC(=O)C1NC(=O)CC1c2ccc(Cl)cc2 Amb21965093 [0,1,0,1,0,0|2,0,0]=4 1360 B17R2.3280 OC(=O)C1NC(=O)CC1c2ccc(F)cc2 Amb21965086 [0,1,0,1,0,0|2,0,0]=4 1361 B17R2.19816 CC(=O)CN1C(=O)COc2c1cc(C)cc2 Amb16769736 [0,1,0,1,0,0|2,0,0]=4 1362 B17R2.19816 CC(=O)CN1C(=O)COc2c1cc(Cl)cc2 Amb10081103 [0,1,0,1,0,0|2,0,0]=4 1363 B17R2.251831 O=C1CCC(=O)CCc2ccc(CC1)cc2 Amb24311418 [0,1,0,1,0,0|2,0,0]=4 1364 B17R2.3317 OC(=O)C1CN(Cc2ccccc2)C(=O)N1 Amb25759706 [0,1,0,1,0,0|2,0,0]=4 1365 B17R2.3317 OC(=O)[C@@H]1CN(Cc2ccccc2)C(=O)N1 Amb23598503 [0,1,0,1,0,0|2,0,0]=4 1366 B17R2.38353 OC(=O)CN1C(=O)N(C)Cc2c1cccc2 Amb1066669 [0,1,0,1,0,0|2,0,0]=4 1367 B17R2.40592 O=C1CCN(Cc2ccccc2)C(=O)CC1 Amb19517017 [0,1,0,1,0,0|2,0,0]=4 1368 B17R2.193 CC1=CNC(=NC1=O)OCc2ccccc2 Amb24062704 [0,1,0,1,0,0|1,0,1]=4 1369 B17R2.980 CCC1CC1NC(=O)OCc2ccccc2 Amb25186839 [0,1,0,1,0,0|1,0,1]=4 1370 B17R2.1671 C#CC1CN(C1)C(=O)OCc2ccccc2 Amb25145432 [0,1,0,1,0,0|1,0,1]=4 1371 B17R2.1671 C=CC1CN(C1)C(=O)OCc2ccccc2 Amb24459347 [0,1,0,1,0,0|1,0,1]=4 1372 B17R2.1671 CNC1CN(C1)C(=O)OCc2ccccc2 Amb23439901 [0,1,0,1,0,0|1,0,1]=4 1373 B17R2.1671 N#CC1CN(C1)C(=O)OCc2ccccc2 Amb19516504 [0,1,0,1,0,0|1,0,1]=4 1374 B17R2.1671 NCC1CN(C1)C(=O)OCc2ccccc2 Amb16232672 [0,1,0,1,0,0|1,0,1]=4 1375 B17R2.1671 NNC1CN(C1)C(=O)OCc2ccccc2 Amb24112974 [0,1,0,1,0,0|1,0,1]=4 1376 B17R2.1671 NNC1CN(C1)C(=O)OCc2ccccc2 Amb24113019 [0,1,0,1,0,0|1,0,1]=4 1377 B17R2.1671 O=C(OCc1ccccc1)N2CC(C2)C=O Amb25177978 [0,1,0,1,0,0|0,0,1]=3 1378 B17R2.1671 OCC1CN(C1)C(=O)OCc2ccccc2 Amb16232985 [0,1,0,1,0,0|0,0,2]=4 1379 B17R2.5078 C[C@@H]1C(=O)CN1C(=O)OCc2ccccc2 Amb25228182 [0,1,0,1,0,0|0,0,0]=2 1380 B17R2.5330 C=C1OC[C@@H]1NC(=O)OCc2ccccc2 Amb24600040 [0,1,0,1,0,0|1,0,0]=3 1381 B17R2.5330 O=C(NC1CNC1=O)OCc2ccccc2 Amb22497246 [0,1,0,1,0,0|0,0,0]=2 1382 B17R2.5330 O=C1CCC1NC(=O)OCc2ccccc2 Amb22898170 [0,1,0,1,0,0|0,0,0]=2 1383 B17R2.5330 O=C1OCC1NC(=O)OCc2ccccc2 Amb22492574 [0,1,0,1,0,0|0,0,0]=2 1384 B17R2.5330 O=C1OC[C@H]1NC(=O)OCc2ccccc2 Amb20242997 [0,1,0,1,0,0|0,0,0]=2 1385 B17R2.5330 O[C@@H]1CC[C@H]1NC(=O)OCc2ccccc2 Amb25372489 [0,1,0,1,0,0|0,0,2]=4 1386 B17R2.5357 CC1=CNC(=O)N(Cc2ccccc2)C1=O Amb24757706 [0,1,0,1,0,0|1,0,1]=4 1387 B17R2.76752 O=C(NCC1CCC1)OCc2ccccc2 Amb25372480 [0,1,0,1,0,0|1,0,1]=4 1388 B17R2.76752 O=C(NCC1CCN1)OCc2ccccc2 Amb24689450 [0,1,0,1,0,0|1,0,1]=4 1389 B17R2.76752 O=C(NCC1CNC1)OCc2ccccc2 Amb10069343 [0,1,0,1,0,0|1,0,1]=4 1390 B17R2.76752 O=C(NC[C@@H]1CCN1)OCc2ccccc2 Amb24421706 [0,1,0,1,0,0|1,0,1]=4 1391 B17R2.76752 O=C(NC[C@H]1CCN1)OCc2ccccc2 Amb24752439 [0,1,0,1,0,0|1,0,1]=4 1392 B17R2.350730 CNC(=O)CN1C(=O)CNc2c1cccc2 Amb17468903 [0,1,0,1,0,0|2,0,0]=4 1393 B17R2.350730 CNC(=O)CN1C(=O)COc2c1cccc2 Amb2149268 [0,1,0,1,0,0|2,0,0]=4 1394 B17R2.350730 CNC(=O)CN1c2ccccc2N=CC1=O Amb19553004 [0,1,0,1,0,0|2,0,0]=4 1395 B17R2.350730 COC(=O)CN1C(=O)COc2c1cccc2 Amb2149193 [0,1,0,1,0,0|2,0,0]=4 1396 B17R2.76771 CC(NC(=O)OCc1ccccc1)C2CC2 Amb24730484 [0,1,0,1,0,0|1,0,1]=4 1397 B17R2.76771 NC(NC(=O)OCc1ccccc1)C2CC2 Amb25795528 [0,1,0,1,0,0|1,0,1]=4 1398 B17R2.3311 CC(=O)CN1N=C(OC1=O)c2ccccc2 Amb22478778 [0,1,0,1,0,0|0,0,1]=3 1399 B17R2.3311 NC(=O)CN1C[C@@H](CC1=O)c2ccccc2 Amb24075552 [0,1,0,1,0,0|2,0,0]=4 1400 B17R2.3311 NC(=O)CN1C[C@H](CC1=O)c2ccccc2 Amb24075551 [0,1,0,1,0,0|2,0,0]=4 1401 B17R2.3311 OC(=O)CN1CC(OC1=O)c2ccccc2 Amb17244691 [0,1,0,1,0,0|1,0,0]=3 1402 B17R2.3311 OC(=O)CN1CC(OC1=O)c2cccnc2 Amb17245324 [0,1,0,1,0,0|2,0,0]=4 1403 B17R2.3311 OC(=O)CN1N=C(OC1=O)c2ccccc2 Amb18967910 [0,1,0,1,0,0|1,0,1]=4 1404 B17R2.76751 CC1(O)CN(C1)C(=O)OCc2ccccc2 Amb22230269 [0,1,0,1,0,0|0,0,2]=4 1405 B17R2.76751 O=C(OCc1ccccc1)N2CC(F)(F)C2 Amb22230265 [0,1,0,1,0,0|1,0,1]=4 1406 B17R2.76767 CN(CC1CC1)C(=O)OCc2ccccc2 Amb24366588 [0,1,0,1,0,0|1,0,1]=4 1407 B17R2.38283 CC(=O)CN1c2ccccc2C(=O)OC1=O Amb19515122 [0,1,0,1,0,0|0,0,1]=3 1408 B17R2.3375 OC(=O)C1CC(=O)OC1c2cc(Br)ccc2 Amb23537651 [0,1,0,1,0,0|2,0,0]=4 1409 B17R2.3375 OC(=O)C1CC(=O)OC1c2cc(Cl)ccc2 Amb22481845 [0,1,0,1,0,0|2,0,0]=4 1410 B17R2.3375 OC(=O)C1CC(=O)OC1c2cc(F)ccc2 Amb23537882 [0,1,0,1,0,0|2,0,0]=4 1411 B17R2.3375 OC(=O)C1CC(=O)OC1c2cc(O)ccc2 Amb23537806 [0,1,0,1,0,0|2,0,0]=4 1412 B17R2.3375 OC(=O)C1NC(=O)CC1c2cc(Cl)ccc2 Amb21965091 [0,1,0,1,0,0|2,0,0]=4 1413 B17R2.3375 OC(=O)C1NC(=O)CC1c2cc(F)ccc2 Amb21965087 [0,1,0,1,0,0|2,0,0]=4 1414 B17R2.20678 CC(=C)CN1C(=O)CCc2cc(O)ccc12 Amb23515185 [0,1,0,1,0,0|2,0,0]=4 1415 B17R3.58479 O=C1CCc2cccc3NC(=O)CN1c23 Amb18669930 [0,0,0,2,0,0|2,0,0]=4 1416 B13R1.44 C#CCNC(=O)Cc1ccccc1 Amb18185767 [1,0,0,0,1,0|0,0,2]=4 1417 B13R1.44 C#CCNC(=O)Oc1ccccc1 Amb18808641 [1,0,0,0,1,0|0,0,2]=4 1418 B13R1.44 C=CCNC(=O)Nc1ccccc1 Amb1233611 [1,0,0,0,1,0|1,0,1]=4 1419 B13R1.44 C=CCOC(=O)Cc1ccccc1 Amb22230218 [1,0,0,0,1,0|1,0,1]=4 1420 B13R1.44 C=CCOC(=O)Oc1ccccc1 Amb22360640 [1,0,0,0,1,0|1,0,1]=4 1421 B13R1.44 CCCNC(=O)Nc1ccccc1 Amb1233730 [1,0,0,0,1,0|1,0,1]=4 1422 B13R1.44 CSCNC(=O)Nc1ccccc1 Amb24741724 [1,0,0,0,1,0|2,0,0]=4 1423 B13R1.44 C\C=C\NC(=O)Nc1ccccc1 Amb24654984 [1,0,0,0,1,0|1,0,1]=4 1424 B13R1.44 C\C=N\NC(=O)Nc1ccccc1 Amb24417963 [1,0,0,0,1,0|2,0,0]=4 1425 B13R1.44 ClCCNC(=O)Cc1ccccc1 Amb2429404 [1,0,0,0,1,0|1,0,1]=4 1426 B13R1.44 N#CCNC(=O)Oc1ccccc1 Amb18180566 [1,0,0,0,1,0|1,0,1]=4 1427 B13R1.44 O=C(C#CC=O)Oc1ccccc1 Amb25273019 [1,0,0,0,1,0|1,0,1]=4 1428 B13R1.44 O=C(CCC=O)Nc1ccccc1 Amb25163545 [1,0,0,0,1,0|2,0,0]=4 1429 B13R1.44 O=C(Cc1c[n]ccc1)NNC=O Amb24717900 [1,0,0,0,1,0|2,0,0]=4 1430 B13R1.44 O=C(NCCF)Oc1ccccc1 Amb24096857 [1,0,0,0,1,0|1,0,1]=4 1431 B13R1.44 O=C(NNC=O)Nc1ccccc1 Amb22227960 [1,0,0,0,1,0|2,0,0]=4 1432 B13R1.44 O=CCNC(=O)Cc1ccccc1 Amb17102089 [1,0,0,0,1,0|0,0,0]=2 1433 B13R1.44 O=CNNC(=O)Cc1ccccc1 Amb2582679 [1,0,0,0,1,0|1,0,0]=3 1434 B13R1.44 OCCNC(=O)Cc1ccccc1 Amb2437031 [1,0,0,0,1,0|0,0,2]=4 1435 B13R1.337 C=C(Br)CNOCc1ccccc1 Amb24473407 [1,0,0,0,1,0|1,0,1]=4 1436 B13R1.337 CC(=O)/C=C\NCc1ccccc1 Amb17778144 [1,0,0,0,1,0|1,0,1]=4 1437 B13R1.337 CC(=O)CC#CCc1ccccc1 Amb24416732 [1,0,0,0,1,0|1,0,1]=4 1438 B13R1.337 CC(=O)CCNCc1ccccc1 Amb23399608 [1,0,0,0,1,0|1,0,1]=4 1439 B13R1.337 CC(=O)CCOCc1ccccc1 Amb16233219 [1,0,0,0,1,0|0,0,1]=3 1440 B13R1.337 CC(=O)NCNCc1ccccc1 Amb24728285 [1,0,0,0,1,0|1,0,1]=4 1441 B13R1.337 CC(=O)\C=C\NCc1ccccc1 Amb25303594 [1,0,0,0,1,0|1,0,1]=4 1442 B13R1.337 CC(=O)\C=C\OCc1ccccc1 Amb25370872 [1,0,0,0,1,0|0,0,1]=3 1443 B13R1.337 CC(=O)\C=N\OCc1ccccc1 Amb25735259 [1,0,0,0,1,0|0,0,2]=4 1444 B13R1.337 CC(C)CNOCc1ccccc1 Amb25765394 [1,0,0,0,1,0|1,0,1]=4 1445 B13R1.337 CC(O)CNOCc1ccccc1 Amb25127134 [1,0,0,0,1,0|0,0,2]=4 1446 B13R1.337 C[C@@H](O)CNOCc1ccccc1 Amb25122339 [1,0,0,0,1,0|0,0,2]=4 1447 B13R1.337 C[C@H](O)CNOCc1ccccc1 Amb24495348 [1,0,0,0,1,0|0,0,2]=4 1448 B13R1.337 NC(=O)CCOCc1ccccc1 Amb18796124 [1,0,0,0,1,0|1,0,1]=4 1449 B13R1.337 OC(=O)CNCCc1ccccc1 Amb19373721 [1,0,0,0,1,0|1,0,1]=4 1450 B13R1.337 OC(=O)CNOCc1ccccc1 Amb18128832 [1,0,0,0,1,0|1,0,0]=3 1451 B13R1.45 C=C(Cl)CNC(=O)c1ccccc1 Amb25743401 [0,0,0,0,2,0|1,0,1]=4 1452 B13R1.45 CC(=C)CNC(=O)c1ccc[n]c1 Amb25694651 [0,0,0,0,2,0|2,0,0]=4 1453 B13R1.45 CC(=C)CNC(=O)c1ccccc1 Amb24534621 [0,0,0,0,2,0|1,0,0]=3 1454 B13R1.45 CC(=CCC(C)=O)c1ccccc1 Amb24090254 [0,0,0,0,2,0|2,0,0]=4 1455 B13R1.45 CC(=N)NNC(=O)c1ccccc1 Amb24073590 [0,0,0,0,2,0|2,0,0]=4 1456 B13R1.45 CC(=O)C#CC(=O)c1ccccc1 Amb25134098 [0,0,0,0,2,0|1,0,1]=4 1457 B13R1.45 CC(=O)CNC(=O)c1c[n][n]cc1 Amb24371414 [0,0,0,0,2,0|2,0,0]=4 1458 B13R1.45 CC(=O)CNC(=O)c1c[n]cc[n]1 Amb25107803 [0,0,0,0,2,0|2,0,0]=4 1459 B13R1.45 CC(=O)CNC(=O)c1c[n]ccc1 Amb25684073 [0,0,0,0,2,0|1,0,0]=3 1460 B13R1.45 CC(=O)CNC(=O)c1cc[n]cc1 Amb24439637 [0,0,0,0,2,0|1,0,0]=3 1461 B13R1.45 CC(=O)CNC(=O)c1cccc[n]1 Amb24650706 [0,0,0,0,2,0|1,0,0]=3 1462 B13R1.45 CC(=O)COC(=O)c1ccccc1 Amb22497327 [0,0,0,0,2,0|1,0,0]=3 1463 B13R1.45 CC(=O)NNC(=O)c1ccccn1 Amb1815364 [0,0,0,0,2,0|2,0,0]=4 1464 B13R1.45 CC(=O)NOC(=O)c1ccccc1 Amb24726089 [0,0,0,0,2,0|2,0,0]=4 1465 B13R1.45 CC(=O)ONC(=O)c1cc[n]cc1 Amb25160710 [0,0,0,0,2,0|2,0,0]=4 1466 B13R1.45 CC(=O)ONC(=O)c1cccc[n]1 Amb24745497 [0,0,0,0,2,0|2,0,0]=4 1467 B13R1.45 CC(=O)ONC(=O)c1ccccc1 Amb24106396 [0,0,0,0,2,0|1,0,0]=3 1468 B13R1.45 CC(=O)OOC(=O)c1ccccc1 Amb17672876 [0,0,0,0,2,0|2,0,0]=4 1469 B13R1.45 CC(=O)\C=C\C(=O)c1ccccc1 Amb25094370 [0,0,0,0,2,0|1,0,1]=4 1470 B13R1.45 CC(C)=CNC(=O)c1ccccc1 Amb24104488 [0,0,0,0,2,0|1,0,1]=4 1471 B13R1.45 CC(CNC(=O)c1ccccc1)O Amb10788464 [0,0,0,0,2,0|0,0,2]=4 1472 B13R1.45 CC(N)CNC(=O)c1ccccc1 Amb18110135 [0,0,0,0,2,0|1,0,1]=4 1473 B13R1.45 CN(CNC(=O)c1ccccc1)C Amb10565604 [0,0,0,0,2,0|2,0,0]=4 1474 B13R1.45 C\C(=C\CC(C)=O)\c1ccccc1 Amb24392921 [0,0,0,0,2,0|2,0,0]=4 1475 B13R1.45 NC(=N)CNC(=O)c1ccccc1 Amb24563441 [0,0,0,0,2,0|2,0,0]=4 1476 B13R1.45 NC(=O)CNC(=N)c1ccccc1 Amb24634798 [0,0,0,0,2,0|2,0,0]=4 1477 B13R1.45 NC(=O)CNC(=O)c1cc[n]cc1 Amb22264400 [0,0,0,0,2,0|2,0,0]=4 1478 B13R1.45 NC(=O)CNC(=O)c1cccc[n]1 Amb25080416 [0,0,0,0,2,0|2,0,0]=4 1479 B13R1.45 NC(=O)CNC(=O)c1cccnc1 Amb17233512 [0,0,0,0,2,0|2,0,0]=4 1480 B13R1.45 NC(=O)ONC(=O)c1ccccc1 Amb24635646 [0,0,0,0,2,0|2,0,0]=4 1481 B13R1.45 O=C(NCC(=O)S)c1ccccc1 Amb24490432 [0,0,0,0,2,0|1,0,0]=3 1482 B13R1.45 O=C(c1ccccc1)CCC(=O)N Amb17233256 [0,0,0,0,2,0|2,0,0]=4 1483 B13R1.45 O=C(c1ccccc1)CCC(=O)O Amb1224638 [0,0,0,0,2,0|2,0,0]=4 1484 B13R1.45 O=C(c1ccccc1)CNC(=O)C Amb17335159 [0,0,0,0,2,0|2,0,0]=4 1485 B13R1.45 O=C(c1ccccc1)NCC(=C)Br Amb14063723 [0,0,0,0,2,0|1,0,1]=4 1486 B13R1.45 O=C(c1ccccc1)NCC(=O)O Amb1006961 [0,0,0,0,2,0|1,0,0]=3 1487 B13R1.45 O=C(c1ccccc1)NCC(=O)O Amb17616813 [0,0,0,0,2,0|1,0,0]=3 1488 B13R1.45 O=C(c1ccccc1)NCC(=S)N Amb1678248 [0,0,0,0,2,0|1,1,0]=4 1489 B13R1.45 O=C(c1ccccc1)NN=C(C)C Amb1652225 [0,0,0,0,2,0|2,0,0]=4 1490 B13R1.45 O=C(c1ccccc1)OCC(=O)O Amb17594607 [0,0,0,0,2,0|2,0,0]=4 1491 B13R1.45 O=C(c1ccncc1)NCC(=O)O Amb1111294 [0,0,0,0,2,0|2,0,0]=4 1492 B13R1.45 OC(=O)CCC(=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1 Amb22054406 [0,0,0,0,2,0|2,0,0]=4 1493 B13R1.45 OC(=O)CNC(=O)c1c[n]ccc1 Amb21919499 [0,0,0,0,2,0|2,0,0]=4 1494 B13R1.45 OC(=O)CNC(=O)c1ccccc1 Amb1197580 [0,0,0,0,2,0|1,0,0]=3 1495 B13R1.45 OC(=O)CNC(=O)c1ccccn1 Amb1119841 [0,0,0,0,2,0|2,0,0]=4 1496 B13R1.45 OC(=O)CNC(=O)c1cccnc1 Amb1119840 [0,0,0,0,2,0|2,0,0]=4 1497 B13R1.45 OC(=O)CNC(=S)c1ccccc1 Amb24309476 [0,0,0,0,2,0|1,1,0]=4 1498 B13R1.344 CC(=O)NNC(=O)Cc1ccc[s]1 Amb24704234 [0,0,0,0,2,0|2,0,0]=4 1499 B13R1.344 O=C(Cc1cccs1)NCC(=O)N Amb17236746 [0,0,0,0,2,0|2,0,0]=4 1500 B13R1.344 O=C(Cc1cccs1)NCC(=O)O Amb1129742 [0,0,0,0,2,0|2,0,0]=4 1501 B13R1.344 OC(=O)CNC(=O)Cc1c[nH]cc1 Amb18066056 [0,0,0,0,2,0|2,0,0]=4 1502 B13R1.348 CC(=C)CC(=O)Nc1ccccc1 Amb24759109 [0,0,0,0,2,0|2,0,0]=4 1503 B13R1.348 CC(=N)NC(=O)Oc1ccccc1 Amb25288293 [0,0,0,0,2,0|1,0,0]=3 1504 B13R1.348 CC(=O)/C=C(\C)Cc1ccccc1 Amb17778969 [0,0,0,0,2,0|1,0,1]=4 1505 B13R1.348 CC(=O)C/C(C)=C/c1ccccc1 Amb17778970 [0,0,0,0,2,0|1,0,1]=4 1506 B13R1.348 CC(=O)CC(=O)Cc1cccc[n]1 Amb24076575 [0,0,0,0,2,0|1,0,0]=3 1507 B13R1.348 CC(=O)CC(=O)Nc1cc[n]cc1 Amb18178501 [0,0,0,0,2,0|2,0,0]=4 1508 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 Amb22586480 [0,0,0,0,2,0|0,0,0]=2 1509 B13R1.348 CC(=O)CC(=S)Nc1ccccc1 Amb25190045 [0,0,0,0,2,0|1,1,0]=4 1510 B13R1.348 CC(=O)CN(C)Cc1ccccc1 Amb18808988 [0,0,0,0,2,0|2,0,0]=4 1511 B13R1.348 CC(=O)NC(=N)Nc1ccccc1 Amb25046689 [0,0,0,0,2,0|2,0,0]=4 1512 B13R1.348 CC(=O)NC(=O)Cc1ccccc1 Amb24073557 [0,0,0,0,2,0|0,0,0]=2 1513 B13R1.348 CC(=O)NC(=S)Cc1ccccc1 Amb25689518 [0,0,0,0,2,0|0,1,0]=3 1514 B13R1.348 CC(=O)NC(=S)Oc1ccccc1 Amb25758641 [0,0,0,0,2,0|0,1,0]=3 1515 B13R1.348 CC(=O)NC(N)Cc1ccccc1 Amb25322191 [0,0,0,0,2,0|1,0,1]=4 1516 B13R1.348 CC(=O)N[C@H](C)Cc1ccccc1 Amb24496665 [0,0,0,0,2,0|1,0,1]=4 1517 B13R1.348 CC(=O)SC(=O)Nc1ccccc1 Amb24396677 [0,0,0,0,2,0|2,0,0]=4 1518 B13R1.348 CC(=O)\C=C(\N)/Cc1ccccc1 Amb24739677 [0,0,0,0,2,0|1,0,1]=4 1519 B13R1.348 CC(=S)NC(=O)Cc1ccccc1 Amb25835179 [0,0,0,0,2,0|0,1,0]=3 1520 B13R1.348 CC(=S)NC(=O)Nc1ccccc1 Amb25104910 [0,0,0,0,2,0|1,1,0]=4 1521 B13R1.348 CC(CC(=O)Cc1ccccc1)C Amb15690932 [0,0,0,0,2,0|1,0,1]=4 1522 B13R1.348 CC(O)NC(=O)Cc1ccccc1 Amb25737869 [0,0,0,0,2,0|0,0,2]=4 1523 B13R1.348 CN(C)NC(=O)Cc1ccccc1 Amb24350087 [0,0,0,0,2,0|2,0,0]=4 1524 B13R1.348 C\C(\N)=C\C(=O)Cc1ccccc1 Amb25767909 [0,0,0,0,2,0|1,0,1]=4 1525 B13R1.348 C\C(\O)=C\C(=O)Cc1ccccc1 Amb24492639 [0,0,0,0,2,0|0,0,2]=4 1526 B13R1.348 NC(=N)NC(=O)Cc1ccccc1 Amb24426154 [0,0,0,0,2,0|2,0,0]=4 1527 B13R1.348 NC(=O)CC(=O)Nc1ccccc1 Amb25188019 [0,0,0,0,2,0|2,0,0]=4 1528 B13R1.348 NC(=O)NC(=O)C[n+]1ccccc1 Amb24640386 [0,0,0,0,2,0|2,0,0]=4 1529 B13R1.348 NC(=O)NC(=O)Oc1ccccc1 Amb24635786 [0,0,0,0,2,0|1,0,0]=3 1530 B13R1.348 NC(=S)NC(=O)Oc1ccccc1 Amb24634040 [0,0,0,0,2,0|1,1,0]=4 1531 B13R1.348 O=C(C[N+](=O)[O-])Cc1ccccc1 Amb1107860 [0,0,0,0,2,0|2,0,0]=4 1532 B13R1.348 O=C(Cc1ccccc1)CC(=O)C Amb15692856 [0,0,0,0,2,0|0,0,0]=2 1533 B13R1.348 O=C(Nc1ccccc1)CC(=O)C Amb1210069 [0,0,0,0,2,0|1,0,0]=3 1534 B13R1.348 O=C(Nc1ccccc1)CC(=O)O Amb2436726 [0,0,0,0,2,0|2,0,0]=4 1535 B13R1.348 O=C(Nc1ccccc1)NC(=O)N Amb2222030 [0,0,0,0,2,0|2,0,0]=4 1536 B13R1.348 O=C(Nc1ccccn1)CC(=O)C Amb1200449 [0,0,0,0,2,0|2,0,0]=4 1537 B13R1.348 O=C(Oc1ccccc1)CC(=O)O Amb2417322 [0,0,0,0,2,0|1,0,0]=3 1538 B13R1.348 O=C(Oc1ccccc1)CC(=S)N Amb1981073 [0,0,0,0,2,0|1,1,0]=4 1539 B13R1.348 OC(=O)CC(=O)Cc1ccccc1 Amb18128104 [0,0,0,0,2,0|1,0,0]=3 1540 B13R1.348 S=C(Nc1ccccc1)NC(=O)C Amb2456399 [0,0,0,0,2,0|1,1,0]=4 1541 B13R1.351 C=C(OCc1ccccc1)C(O)=O Amb24626599 [0,0,0,0,2,0|2,0,0]=4 1542 B13R1.351 CC(=O)C(=O)CNc1ccccc1 Amb25123358 [0,0,0,0,2,0|2,0,0]=4 1543 B13R1.351 CC(=O)C(=O)NCc1ccccn1 Amb17400654 [0,0,0,0,2,0|2,0,0]=4 1544 B13R1.351 CC(=O)C(=O)NCc1cccnc1 Amb17400655 [0,0,0,0,2,0|2,0,0]=4 1545 B13R1.351 CC(=O)C(=O)NNc1ccccc1 Amb25128271 [0,0,0,0,2,0|2,0,0]=4 1546 B13R1.351 CC(=O)C(=O)OCc1ccccc1 Amb24740169 [0,0,0,0,2,0|0,0,0]=2 1547 B13R1.351 CC(=O)C(=O)\C=C\c1ccccc1 Amb24697906 [0,0,0,0,2,0|1,0,1]=4 1548 B13R1.351 CC(=O)N(C)OCc1ccccc1 Amb25829924 [0,0,0,0,2,0|2,0,0]=4 1549 B13R1.351 CC(=O)[C@H](C)OCc1ccccc1 Amb24492590 [0,0,0,0,2,0|1,0,1]=4 1550 B13R1.351 CC(Br)C(=O)OCc1ccccc1 Amb22054568 [0,0,0,0,2,0|1,0,1]=4 1551 B13R1.351 CC(C(=O)C)OCc1ccccc1 Amb16231123 [0,0,0,0,2,0|1,0,1]=4 1552 B13R1.351 CC(C(=O)OCc1ccccc1)N Amb17335303 [0,0,0,0,2,0|1,0,1]=4 1553 B13R1.351 CC(N)C(=O)OCc1ccccc1 Amb22233549 [0,0,0,0,2,0|1,0,1]=4 1554 B13R1.351 CC(S)C(=O)OCc1ccccc1 Amb25058345 [0,0,0,0,2,0|0,1,1]=4 1555 B13R1.351 CN(N)C(=O)OCc1ccccc1 Amb19959276 [0,0,0,0,2,0|2,0,0]=4 1556 B13R1.351 C[C@@H](C(=O)OCc1ccccc1)N Amb2404812 [0,0,0,0,2,0|1,0,1]=4 1557 B13R1.351 C[C@@H](O)C(=O)OCc1ccccc1 Amb22801052 [0,0,0,0,2,0|0,0,2]=4 1558 B13R1.351 C[C@H](C(=O)OCc1ccccc1)N Amb16183910 [0,0,0,0,2,0|1,0,1]=4 1559 B13R1.351 C[C@H](C(=O)OCc1ccccc1)N Amb17607755 [0,0,0,0,2,0|1,0,1]=4 1560 B13R1.351 C\C(=C/Cc1ccccc1)\C(C)=O Amb24529690 [0,0,0,0,2,0|2,0,0]=4 1561 B13R1.351 C\C(=N/Cc1ccccc1)\C(C)=O Amb25130600 [0,0,0,0,2,0|2,0,0]=4 1562 B13R1.351 NC(=O)C(=O)CCc1ccccc1 Amb24273105 [0,0,0,0,2,0|2,0,0]=4 1563 B13R1.351 NC(=O)C(=O)NCc1ccccc1 Amb25858184 [0,0,0,0,2,0|2,0,0]=4 1564 B13R1.351 NC(=S)C(=O)OCc1ccccc1 Amb25836805 [0,0,0,0,2,0|1,1,0]=4 1565 B13R1.351 O=C(C(=C)C)OCc1ccccc1 Amb10807491 [0,0,0,0,2,0|1,0,0]=3 1566 B13R1.351 O=C(C(=O)C)C#Cc1ccccc1 Amb10562238 [0,0,0,0,2,0|1,0,1]=4 1567 B13R1.351 O=C(C(=O)C)NCc1ccccc1 Amb17400597 [0,0,0,0,2,0|1,0,0]=3 1568 B13R1.351 O=C(C(=O)C)NCc1ccncc1 Amb17400656 [0,0,0,0,2,0|2,0,0]=4 1569 B13R1.351 O=C(OCc1ccccc1)C(=O)Cl Amb24687217 [0,0,0,0,2,0|1,0,0]=3 1570 B13R1.351 O=C([C@H]([NH3+])C)OCc1ccccc1 Amb10807781 [0,0,0,0,2,0|1,0,1]=4 1571 B13R1.351 OC(=O)C(=O)OCc1ccccc1 Amb18128558 [0,0,0,0,2,0|1,0,0]=3 1572 B13R1.593 CC(=O)NC(=O)NCc1ccc[s]1 Amb24363425 [0,0,0,0,2,0|2,0,0]=4 1573 B15R1.157 C=CCNC(=O)CCNc1ccccc1 Amb15707793 [1,0,0,0,0,1|1,0,1]=4 1574 B15R1.157 C=CCNC(=O)CNCc1ccccc1 Amb20140988 [1,0,0,0,0,1|1,0,1]=4 1575 B15R1.157 C=CCNC(=O)CSCc1ccccc1 Amb19338250 [1,0,0,0,0,1|0,1,1]=4 1576 B15R1.157 C=CCNC(=O)NOCc1ccccc1 Amb20861638 [1,0,0,0,0,1|0,0,1]=3 1577 B15R1.157 CCCCC(=O)NOCc1ccccc1 Amb10572671 [1,0,0,0,0,1|1,0,1]=4 1578 B15R1.157 CCCNC(=O)CCNc1ccccc1 Amb19342673 [1,0,0,0,0,1|1,0,1]=4 1579 B15R1.157 CCCNC(=O)CCOc1ccccc1 Amb20694760 [1,0,0,0,0,1|1,0,1]=4 1580 B15R1.157 CCCNC(=O)CCSc1ccccc1 Amb1800595 [1,0,0,0,0,1|1,0,1]=4 1581 B15R1.157 CCCNC(=O)NOCc1ccccc1 Amb22462392 [1,0,0,0,0,1|0,0,1]=3 1582 B15R1.157 CCONC(=O)COCc1ccccc1 Amb20813706 [1,0,0,0,0,1|1,0,1]=4 1583 B15R1.157 COCCC(=O)NOCc1ccccc1 Amb24724155 [1,0,0,0,0,1|2,0,0]=4 1584 B15R1.157 NCCNC(=O)COCc1ccccc1 Amb24770376 [1,0,0,0,0,1|1,0,1]=4 1585 B15R1.504 CC(=C)CNCCOCc1ccccc1 Amb24592280 [1,0,0,0,0,1|1,0,1]=4 1586 B15R1.504 CC(=O)CCCCOCc1ccccc1 Amb24659207 [1,0,0,0,0,1|1,0,1]=4 1587 B15R1.504 CC(=O)NCCCOCc1ccccc1 Amb25821607 [1,0,0,0,0,1|1,0,1]=4 1588 B15R1.504 NC(=O)CNCCOCc1ccccc1 Amb24354694 [1,0,0,0,0,1|1,0,1]=4 1589 B15R1.504 OC(=O)CC\C=C\OCc1ccccc1 Amb25338085 [1,0,0,0,0,1|2,0,0]=4 1590 B15R1.504 OC(=O)CC\C=N\OCc1ccccc1 Amb24444395 [1,0,0,0,0,1|2,0,0]=4 1591 B15R1.504 OC(=O)CNCCOCc1ccccc1 Amb25161743 [1,0,0,0,0,1|1,0,1]=4 1592 B17R1.1324 CC(=C)CCNCC(=O)NCc1ccccc1 Amb25078420 [0,0,0,0,0,2|2,0,0]=4 1593 B17R1.1324 CC(=O)NCCCC(=O)OCc1cccc[n]1 Amb20705922 [0,0,0,0,0,2|2,0,0]=4 1594 B17R1.1324 CC(=O)NCCCC(=O)OCc1ccccc1 Amb20705879 [0,0,0,0,0,2|1,0,0]=3 1595 B17R1.1324 CC(=O)NCCNC(=O)CNc1ccccc1 Amb24786522 [0,0,0,0,0,2|2,0,0]=4 1596 B17R1.1324 CC(=O)NCCNC(=O)OCc1ccccc1 Amb25820922 [0,0,0,0,0,2|0,0,0]=2 1597 B17R1.1324 CC(C)=CCCNC(=O)OCc1ccccc1 Amb25259419 [0,0,0,0,0,2|1,0,0]=3 1598 B17R1.1324 CC(C)SCCNC(=O)OCc1ccccc1 Amb24743096 [0,0,0,0,0,2|1,0,1]=4 1599 B17R1.1324 CC(N)CCCNC(=O)OCc1ccccc1 Amb24416689 [0,0,0,0,0,2|1,0,1]=4 1600 B17R1.1324 CC(O)CCCNC(=O)OCc1ccccc1 Amb25719104 [0,0,0,0,0,2|0,0,2]=4 1601 B17R1.1324 CN(C)CCONC(=O)OCc1ccccc1 Amb24625515 [0,0,0,0,0,2|2,0,0]=4 1602 B17R1.1324 CS(=O)CCCNC(=O)NCc1ccccc1 Amb25231162 [0,0,0,0,0,2|2,0,0]=4 1603 B17R1.1324 NC(=O)CCCNC(=O)OCc1ccccc1 Amb11468229 [0,0,0,0,0,2|1,0,0]=3 1604 B17R1.1324 NC(=O)NCCNC(=O)NCc1ccccc1 Amb25297057 [0,0,0,0,0,2|2,0,0]=4 1605 B17R1.1324 NC(=O)NCCNC(=O)OCc1ccccc1 Amb25729271 [0,0,0,0,0,2|1,0,0]=3 1606 B17R1.1324 O=C(CCc1ccccc1)NCCCC(=O)O Amb1125932 [0,0,0,0,0,2|2,0,0]=4 1607 B17R1.1324 O=C(CSc1ccccc1)NCCNC(=O)C Amb16773636 [0,0,0,0,0,2|2,0,0]=4 1608 B17R1.1324 O=C(NCc1ccccc1)NCCCC(=O)N Amb11364876 [0,0,0,0,0,2|2,0,0]=4 1609 B17R1.1324 O=C(NCc1ccccc1)NCCCC(=O)O Amb17042969 [0,0,0,0,0,2|2,0,0]=4 1610 B17R1.1324 O=C(NCc1ccccc1)NCCNC(=O)C Amb16005541 [0,0,0,0,0,2|1,0,0]=3 1611 B17R1.1324 O=C(OCc1ccccc1)NCCOC(C)C Amb16963759 [0,0,0,0,0,2|1,0,1]=4 1612 B17R1.1324 OC(=O)CCCCC(=O)OCc1ccccc1 Amb22735265 [0,0,0,0,0,2|2,0,0]=4 1613 B17R1.1324 OC(=O)\C=C\CNC(=O)OCc1ccccc1 Amb25662278 [0,0,0,0,0,2|1,0,0]=3 1614 B17R1.1324 [O-]C(=O)CCCNC(=O)OCc1ccccc1 Amb10073403 [0,0,0,0,0,2|1,0,0]=3 1615 B17R1.1324 [O-]C(=O)CCCNC(=O)OCc1ccccc1 Amb19849097 [0,0,0,0,0,2|1,0,0]=3 1616 B17R1.16611 CC(=O)NCCC(=O)NOCc1ccccc1 Amb24648530 [0,0,0,0,0,2|1,0,0]=3 1617 B17R1.16611 O=C(NCCC(=O)N)CCOc1ccccc1 Amb17252798 [0,0,0,0,0,2|2,0,0]=4 1618 B17R1.16611 O=C(NCCC(=O)O)NCCc1ccccc1 Amb17042866 [0,0,0,0,0,2|2,0,0]=4 1619 B17R1.16611 O=C(NCCc1ccccc1)CNCC(=O)[O-] Amb2503623 [0,0,0,0,0,2|2,0,0]=4 1620 B17R1.4992 CC(=C)CCC(=O)CCOCc1ccccc1 Amb24595162 [0,0,0,0,0,2|2,0,0]=4 1621 B17R1.4992 NC(=O)CNC(=O)CCCSc1ccccc1 Amb23912905 [0,0,0,0,0,2|2,0,0]=4 1622 B17R1.4992 O=C(CCC(=O)C)NCCCc1ccccc1 Amb16886498 [0,0,0,0,0,2|2,0,0]=4 1623 B17R1.4992 O=C(CCC(=O)O)OC\C=C/c1ccccc1 Amb10809083 [0,0,0,0,0,2|2,0,0]=4 1624 B17R1.4992 OC(=O)CCC(=O)CCOCc1ccccc1 Amb25379261 [0,0,0,0,0,2|2,0,0]=4 1625 B17R1.4992 OC(=O)CNC(=O)CC\C=C\c1ccccc1 Amb24293636 [0,0,0,0,0,2|2,0,0]=4