0 B13R1.45 CC(=NNC(=O)C1=CC=CC=C1)C Z57101751 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.45 CC(O)CNC(=O)C1=CN=CC=C1 Z1416282904 [0,0,0,0,0,0|3,0,1]=4 2 B13R1.45 C[C@@H](O)CNC(=O)C1=CN=CC=C1 Z1564778137 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 Z211300040 [0,0,0,0,0,0|3,1,0]=4 4 B13R1.45 O=C(NC=C(Cl)Cl)C1=CC=CC=C1 Z57088260 [0,0,0,0,0,0|4,0,0]=4 5 B13R1.45 O=C(O)/C=C/C(=O)C1=CC=CC=C1 Z2895088074 [0,0,0,0,0,0|4,0,0]=4 6 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 Z57127328 [0,0,0,0,0,0|4,0,0]=4 7 B13R1.45 O=C(O)CCC(=O)C1=CC=NC=C1 Z1255488500 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 Z56771024 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.45 O=C(O)CNC(=O)C1=CC=NC=C1 Z239129814 [0,0,0,0,0,0|2,0,0]=2 10 B13R1.45 O=C(O)CNC(=O)C1=CN=CC=C1 Z239129822 [0,0,0,0,0,0|4,0,0]=4 11 B13R1.45 O=C(O)CNC(=O)C1=NC=CC=C1 Z228588744 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.30 C=CCNC(=O)C1=CC=NC=C1 Z32064550 [1,0,0,0,0,0|1,0,1]=3 13 B12R1.30 O=C(NCCO)C1=CC=CC=C1 Z31725250 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.30 O=C(NCCO)C1=CC=NC=C1 Z31725198 [1,0,0,0,0,0|1,0,1]=3 15 B14R1.149 CC(O)CNC(=O)C1=CC(=CC=C1)Br Z68385311 [0,1,0,0,0,0|2,0,1]=4 16 B14R1.149 CC(O)CNC(=O)C1=CC(=CC=C1)Cl Z68385304 [0,1,0,0,0,0|2,0,1]=4 17 B14R1.149 CC(O)CNC(=O)C1=CC(=CC=C1)O Z425742602 [0,1,0,0,0,0|2,0,1]=4 18 B14R1.149 CC1=CC(=CC=C1)C(=O)NCC(=O)O Z56827661 [0,1,0,0,0,0|3,0,0]=4 19 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)Br Z55928783 [0,1,0,0,0,0|3,0,0]=4 20 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)Cl Z56827660 [0,1,0,0,0,0|3,0,0]=4 21 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)F Z56881200 [0,1,0,0,0,0|3,0,0]=4 22 B14R1.149 O=C(O)CNC(=O)C1=CC(=CC=C1)O Z239129930 [0,1,0,0,0,0|3,0,0]=4 23 B14R1.160 CC(O)CNC(=O)C1=C(C=CC=C1)Br Z68385274 [0,1,0,0,0,0|2,0,1]=4 24 B14R1.160 CC(O)CNC(=O)C1=C(C=CC=C1)Cl Z68385275 [0,1,0,0,0,0|2,0,1]=4 25 B14R1.160 CC(O)CNC(=O)C1=C(C=CC=C1)I Z68386382 [0,1,0,0,0,0|2,0,1]=4 26 B14R1.160 CC1=C(C=CC=C1)C(=O)NCC(=O)O Z56983120 [0,1,0,0,0,0|3,0,0]=4 27 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Br Z56945486 [0,1,0,0,0,0|3,0,0]=4 28 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)Cl Z56827160 [0,1,0,0,0,0|3,0,0]=4 29 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)F Z56822248 [0,1,0,0,0,0|3,0,0]=4 30 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)I Z85887266 [0,1,0,0,0,0|3,0,0]=4 31 B14R1.160 O=C(O)CNC(=O)C1=C(C=CC=C1)O Z3478749045 [0,1,0,0,0,0|3,0,0]=4 32 B14R1.160 O=C(O)CNC(=O)C1=C(C=NC=C1)Br Z1869503454 [0,1,0,0,0,0|2,0,0]=3 33 B14R1.163 CNC(=O)CNC(=O)C1=CC=CC=C1 Z32016429 [0,1,0,0,0,0|2,0,1]=4 34 B14R1.163 N/C(=N\O)/CNC(=O)C1=CC=CC=C1 Z283822908 [0,1,0,0,0,0|3,0,0]=4 35 B14R1.163 O=C(CCl)NNC(=O)C1=CC=CC=C1 Z56872003 [0,1,0,0,0,0|1,0,2]=4 36 B14R1.415 CC(NC(=O)C1=CC=CC=C1)C(=O)O Z57229049 [0,1,0,0,0,0|3,0,0]=4 37 B14R1.415 C[C@H](NC(=O)C1=CC=CC=C1)C(=O)O Z56889031 [0,1,0,0,0,0|3,0,0]=4 38 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=CC=C1 Z85895238 [0,1,0,0,0,0|3,0,0]=4 39 B14R1.417 CN(CC(=O)O)C(=O)C1=CC=NC=C1 Z239131718 [0,1,0,0,0,0|2,0,0]=3 40 B14R1.678 CC(=NNC(=O)C1=CC=C(C=C1)O)C Z56901162 [0,1,0,0,0,0|2,0,0]=3 41 B14R1.678 CC(O)CNC(=O)C1=CC=C(C=C1)Br Z68385279 [0,1,0,0,0,0|2,0,1]=4 42 B14R1.678 CC(O)CNC(=O)C1=CC=C(C=C1)Cl Z68385286 [0,1,0,0,0,0|2,0,1]=4 43 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(=O)O Z56899118 [0,1,0,0,0,0|3,0,0]=4 44 B14R1.678 NC1=CC=C(C=C1)C(=O)NCC(=O)O Z104484866 [0,1,0,0,0,0|3,0,0]=4 45 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Br Z56827662 [0,1,0,0,0,0|3,0,0]=4 46 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)Cl Z56840113 [0,1,0,0,0,0|3,0,0]=4 47 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)F Z56896220 [0,1,0,0,0,0|3,0,0]=4 48 B14R1.678 O=C(O)CNC(=O)C1=CC=C(C=C1)O Z285193230 [0,1,0,0,0,0|3,0,0]=4 49 B14R1.813 CC(=NNS(=O)(=O)C1=CC=CC=C1)C Z56754756 [0,1,0,0,0,0|3,0,0]=4 50 B14R2.25733 O=C1NC(C2=C1C=CC=C2)C(=O)O Z1255419749 [0,0,0,1,0,0|3,0,0]=4 51 B12R1.54 O=C(O)CNC(=O)C1=CC=CS1 Z56886259 [0,0,0,0,1,0|3,0,0]=4 52 B12R1.54 O=C(O)CNC(=O)C1=COC=C1 Z239129918 [0,0,0,0,1,0|3,0,0]=4 53 B12R1.54 O=C(O)CNC(=O)C1=CSC=C1 Z224128734 [0,0,0,0,1,0|3,0,0]=4 54 B12R1.107 C/C(=C\C(=O)O)/C1=CC=NC=C1 Z352748124 [0,0,0,0,1,0|3,0,0]=4 55 B12R1.107 CC(=O)CC(=O)C1=CC=NC=C1 Z359504772 [0,0,0,0,1,0|1,0,1]=3 56 B12R1.107 CC(C)CC(=O)C1=CC=NC=C1 Z513733930 [0,0,0,0,1,0|2,0,1]=4 57 B12R1.107 CC(C)OC(=O)C1=CC=NC=C1 Z53833082 [0,0,0,0,1,0|2,0,1]=4 58 B12R1.107 N=C(N)NC(=O)C1=CC=CC=C1 Z1198149259 [0,0,0,0,1,0|3,0,0]=4 59 B12R1.107 O=C(O)NC(=O)C1=CC=CC=C1 Z56928966 [0,0,0,0,1,0|2,0,0]=3 60 B14R1.420 CN(C)/C=N/NC(=O)C1=CC=CC=C1 Z104340888 [0,0,0,0,0,1|3,0,0]=4 61 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 Z56854345 [0,0,0,0,0,1|3,0,0]=4 62 B14R1.420 O=C(O)CCNC(=O)C1=CC=NC=C1 Z228588434 [0,0,0,0,0,1|2,0,0]=3 63 B14R1.423 CC(O)CNC(=O)CC1=CC=CC=C1 Z68385325 [0,0,0,0,0,1|2,0,1]=4 64 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 Z104955688 [0,0,0,0,0,1|2,0,1]=4 65 B14R1.423 C[C@H](O)CNC(=O)NC1=CC=CC=C1 Z1563512128 [0,0,0,0,0,1|2,0,1]=4 66 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 Z56963417 [0,0,0,0,0,1|3,0,0]=4 67 B14R1.423 O=C(O)CNC(=O)NC1=CC=CC=C1 Z56760696 [0,0,0,0,0,1|3,0,0]=4 68 B11R1.16 C/C=C/C(=O)C1=CC=CC=C1 Z2259130553 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.16 CCOC(=O)C1=CC=NC=C1 Z53833081 [2,0,0,0,0,0|1,0,1]=4 70 B11R1.16 O=C(NCO)C1=CC=CC=C1 Z56799838 [2,0,0,0,0,0|1,0,1]=4 71 B13R1.17 C/C=N/NC(=O)C1=CC=C(C=C1)Cl Z57101908 [1,1,0,0,0,0|1,0,0]=3 72 B13R1.24 O=C(N/N=C/CCl)C1=CC=CC=C1 Z56946854 [1,1,0,0,0,0|1,0,0]=3 73 B13R1.147 CC(C)NC(=O)C1=CC(=NC=C1)Cl Z147122750 [0,1,0,0,1,0|1,0,1]=4 74 B15R1.959 COC(=O)CCNC(=O)C1=CC=NC=C1 Z31986238 [0,1,0,0,0,1|1,0,1]=4 75 B15R1.9094 CC(C)(O)CCNC(=O)C1=CC=NC=C1 Z1727112150 [0,1,0,0,0,1|1,0,1]=4 76 B15R1.5450 C[C@H](O)CNC(=O)C1=CC(=NC(=C1)Br)Br Z2752838622 [0,2,0,0,0,0|1,0,1]=4 77 B15R1.5815 COC(=O)CNC(=O)C1=C(C=NC=C1)Cl Z1295601370 [0,2,0,0,0,0|1,0,1]=4 78 B15R1.1357 C=C(C)CN(CC)C(=O)C1=CC=NC=C1 Z102864448 [0,2,0,0,0,0|2,0,0]=4 79 B13R2.10 CC1=NNC(=C1)C2=CC=CC=C2 Z56791141 [1,0,0,1,0,0|2,0,0]=4 80 B13R2.10 CC1=NNC(=N1)C2=CC=CC=C2 Z385478582 [1,0,0,1,0,0|2,0,0]=4 81 B13R2.10 CC1=NOC(=N1)C2=CC=NC=C2 Z1197805060 [1,0,0,1,0,0|2,0,0]=4 82 B13R2.371 CC1=NNC(=O)C2=C1C=CC=C2 Z56877312 [1,0,0,1,0,0|1,0,0]=3 83 B13R2.371 NC1=NNC(=O)C2=C1C=CC=C2 Z1262622732 [1,0,0,1,0,0|2,0,0]=4 84 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)O Z276119362 [1,0,0,1,0,0|2,0,0]=4 85 B13R2.8137 O=C(C1=CC=NC=C1)N2CCC2 Z102876376 [1,0,0,1,0,0|1,0,1]=4 86 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)N1 Z56895688 [0,0,0,1,1,0|2,0,0]=4 87 B13R2.328 CC1=NC2=C(C=CN=C2)C(=O)N1 Z1216862026 [0,0,0,1,1,0|1,0,0]=3 88 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)N1 Z133528266 [0,0,0,1,1,0|1,0,1]=4 89 B13R2.328 O=C1NC(=O)C2=C(N1)C=NC=C2 Z1198173337 [0,0,0,1,1,0|1,0,1]=4 90 B13R2.328 O=C1NC(=O)C2=C(O1)C=CC=C2 Z1255365144 [0,0,0,1,1,0|2,0,0]=4 91 B15R2.14628 O=C(O)C1=NNC(=O)C2=C1C=CC=C2 Z56791146 [0,0,0,1,0,1|2,0,0]=4 92 B11R1.91 O=C(O)/C=C/C1=CC=NC=C1 Z2315575398 [1,0,0,0,1,0|2,0,0]=4 93 B11R1.91 O=C(O)CNC1=CC=NC=C1 Z2350906909 [1,0,0,0,1,0|2,0,0]=4 94 B11R1.36 CC(=O)C(=O)C1=CC=CC=C1 Z1255485389 [0,0,0,0,2,0|1,0,1]=4 95 B11R1.36 CC(C)C(=O)C1=CC=NC=C1 Z513733918 [0,0,0,0,2,0|1,0,1]=4 96 B11R1.36 CN(O)C(=O)C1=CC=CC=C1 Z1416187404 [0,0,0,0,2,0|2,0,0]=4 97 B11R1.36 O=C(O)C(=O)C1=CC=CC=C1 Z381360894 [0,0,0,0,2,0|2,0,0]=4