0 B15R2.321 CC1=NC(=C(N1C)N)C2=CC=CC=C2 Z359510126 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.321 CN1C(=N)N(CC1=O)C2=CC=CC=C2 Z1198151276 [0,0,0,0,0,0|2,0,0]=2 2 B15R2.321 CN1C(=O)CC(C1=O)C2=CC=CC=C2 Z360145318 [0,0,0,0,0,0|0,0,0]=0 3 B14R2.260 CN1C=C(N=C1N)C2=CC=CC=C2 Z1255462158 [1,0,0,0,0,0|2,0,1]=4 4 B14R2.260 CN1N=C(CC1=O)C2=CC=NC=C2 Z812520020 [1,0,0,0,0,0|2,0,1]=4 5 B14R2.260 O=C1CC(CC1=O)C2=CC=CC=C2 Z1513607985 [1,0,0,0,0,0|2,0,1]=4 6 B14R2.598 CC1=CN(C(=O)N1)C2=CC=CC=C2 Z1450948401 [1,0,0,0,0,0|2,0,1]=4 7 B14R2.598 CC1=NN(C(=O)N1)C2=CC=CC=C2 Z1509141828 [1,0,0,0,0,0|3,0,0]=4 8 B14R2.598 O=C1CC(=O)N(C1)C2=CC=CC=C2 Z1331290848 [1,0,0,0,0,0|2,0,0]=3 9 B14R2.598 O=C1CC(=O)N(N1)C2=CC=CC=C2 Z57475324 [1,0,0,0,0,0|3,0,0]=4 10 B14R2.598 O=C1CC(C(=O)N1)C2=CC=CC=C2 Z104341276 [1,0,0,0,0,0|0,0,0]=1 11 B14R2.598 O=C1CC(C(=O)O1)C2=CC=CC=C2 Z99601248 [1,0,0,0,0,0|1,0,0]=2 12 B14R2.598 O=C1CN(C(=O)N1)C2=CC=CC=C2 Z57138521 [1,0,0,0,0,0|1,0,0]=2 13 B14R2.598 O=C1NC(=NN1C2=CC=CC=C2)S Z217301650 [1,0,0,0,0,0|2,1,0]=4 14 B14R2.598 O=C1NC(=O)C(N1)C2=CC=CC=C2 Z57474290 [1,0,0,0,0,0|1,0,0]=2 15 B14R2.598 O=C1NC(=O)C(O1)C2=CC=CC=C2 Z1198149953 [1,0,0,0,0,0|1,0,0]=2 16 B14R2.598 O=C1NC(=O)N(N1)C2=CC=CC=C2 Z55928831 [1,0,0,0,0,0|2,0,0]=3 17 B14R2.4514 CN1C=NC(=C1N)C2=CC=CC=C2 Z359510124 [1,0,0,0,0,0|2,0,1]=4 18 B14R2.4514 CN1N=NN(C1=O)C2=CC=CC=C2 Z149387398 [1,0,0,0,0,0|3,0,0]=4 19 B16R2.10928 CCN1C(=O)NC(C1=O)C2=CC=CC=C2 Z53845223 [0,1,0,0,0,0|1,0,0]=2 20 B16R2.11796 CC1(NC(=O)N(C1=O)N)C2=CC=CC=C2 Z56928545 [0,1,0,0,0,0|2,0,0]=3 21 B16R2.11796 CN1C(=O)CC(C1=O)(C)C2=CC=CC=C2 Z649373426 [0,1,0,0,0,0|0,0,0]=1 22 B14R1.85 CC(C(O)C1=CC=CC=C1)N(C)C=O Z2719291639 [0,0,1,0,0,0|2,0,1]=4 23 B14R1.425 CC(=C(C)C(=O)NC1=CC=CC=C1)C Z1357273239 [0,0,1,0,0,0|3,0,0]=4 24 B14R1.425 CC(=O)C(Cl)C(=O)NC1=CC=CC=C1 Z56888597 [0,0,1,0,0,0|3,0,0]=4 25 B14R1.521 CCCC(C(=O)NC)C1=CC=CC=C1 Z32016941 [0,0,1,0,0,0|1,0,1]=3 26 B14R1.521 COC(=O)N(CC=O)C1=CC=CC=C1 Z336080686 [0,0,1,0,0,0|2,0,0]=3 27 B16R2.2898 CN1C(=O)/C(=C/C2=CC=CC=C2)/SC1=S Z221260068 [0,0,0,0,0,1|1,1,1]=4 28 B16R2.2898 CN1C(=O)CC(C1=O)NC2=CC=CC=C2 Z219230328 [0,0,0,0,0,1|0,0,0]=1 29 B16R2.2898 CN1C(=O)NC(C1=O)CC2=CC=CC=C2 Z54849811 [0,0,0,0,0,1|1,0,0]=2 30 B13R1.11 CCC(=O)CC(=O)C1=CC=CC=C1 Z359504792 [1,0,1,0,0,0|1,0,1]=4 31 B13R1.11 CNC(=O)CC(C)C1=CC=NC=C1 Z1400394783 [1,0,1,0,0,0|1,0,1]=4 32 B13R1.11 COC(=O)CC(N)C1=CC=CC=C1 Z139720848 [1,0,1,0,0,0|2,0,0]=4 33 B13R1.152 CN(C)C(=O)C(N)C1=CC=CC=C1 Z600428418 [1,0,1,0,0,0|1,0,1]=4 34 B13R1.348 CC(=O)CC(=O)CC1=CC=CC=C1 Z1198148922 [1,0,1,0,0,0|1,0,0]=3 35 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=C1 Z56968279 [1,0,1,0,0,0|2,0,0]=4 36 B13R1.351 CC(=O)C(C)OCC1=CC=CC=C1 Z906195336 [1,0,1,0,0,0|2,0,0]=4 37 B13R1.351 CC(C)C(=O)CCC1=CC=CC=C1 Z406378608 [1,0,1,0,0,0|1,0,1]=4 38 B13R1.351 CC(Cl)C(=O)CCC1=CC=CC=C1 Z1262508267 [1,0,1,0,0,0|2,0,0]=4 39 B13R1.351 CN(C)C(=O)CCC1=CN=CC=C1 Z135504774 [1,0,1,0,0,0|1,0,1]=4 40 B13R1.351 CN(C)C(=O)COC1=CC=CC=C1 Z19735310 [1,0,1,0,0,0|1,0,1]=4 41 B13R1.351 CN(C)C(=O)CSC1=CC=CC=C1 Z19750621 [1,0,1,0,0,0|1,0,1]=4 42 B13R1.351 CN(C)C(=O)OCC1=CC=CC=C1 Z32014975 [1,0,1,0,0,0|1,0,1]=4 43 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 Z1201620725 [1,0,1,0,0,0|2,0,0]=4 44 B13R1.405 CCCC(C(=O)N)C1=CC=CC=C1 Z33547037 [1,0,1,0,0,0|1,0,1]=4 45 B13R1.532 CCC(C(=O)NC)C1=CC=CC=C1 Z68248483 [1,0,1,0,0,0|0,0,1]=3 46 B13R1.532 CCC(C(=O)NN)C1=CC=CC=C1 Z58981995 [1,0,1,0,0,0|1,0,1]=4 47 B13R1.532 COC(=O)C(CN)C1=CC=CC=C1 Z1262398527 [1,0,1,0,0,0|2,0,0]=4 48 B13R1.42 CONC(=O)CCC1=CC=CC=C1 Z254325116 [1,0,1,0,0,0|2,0,0]=4 49 B13R1.713 C=CC(CC(=O)O)C1=CC=CC=C1 Z1262511239 [1,0,1,0,0,0|2,0,0]=4 50 B13R1.713 CC(C)CC(C=O)C1=CC=CC=C1 Z1268606424 [1,0,1,0,0,0|1,0,1]=4 51 B13R1.713 CNC(CC(=O)N)C1=CC=CC=C1 Z1973465546 [1,0,1,0,0,0|2,0,0]=4 52 B13R2.10 O=C1CC(=NN1)C2=CC=CC=C2 Z50145997 [2,0,0,0,0,0|1,0,1]=4 53 B13R2.10 O=C1CC(CN1)C2=CC=CC=C2 Z954601980 [2,0,0,0,0,0|0,0,1]=3 54 B13R2.10 O=C1CC(CN1)C2=CC=NC=C2 Z1251360630 [2,0,0,0,0,0|1,0,1]=4 55 B13R2.10 O=C1CC(CN1)C2=CN=CC=C2 Z1201628825 [2,0,0,0,0,0|1,0,1]=4 56 B13R2.10 O=C1CC(CO1)C2=CC=CC=C2 Z1551943626 [2,0,0,0,0,0|1,0,1]=4 57 B13R2.10 O=C1NCC(N1)C2=CC=CC=C2 Z1255433877 [2,0,0,0,0,0|1,0,1]=4 58 B13R2.15 N=C1NCCC1C2=CC=CC=C2 Z5485653209 [2,0,0,0,0,0|1,0,1]=4 59 B13R2.15 O=C1CCCC1C2=CC=CC=C2 Z993018320 [2,0,0,0,0,0|1,0,1]=4 60 B13R2.15 O=C1NC=CN1C2=CC=CC=C2 Z1278925759 [2,0,0,0,0,0|1,0,1]=4 61 B13R2.15 O=C1NCCC1C2=CC=CC=C2 Z1198157720 [2,0,0,0,0,0|0,0,1]=3 62 B13R2.15 O=C1NCCC1C2=CN=CC=C2 Z1509251842 [2,0,0,0,0,0|1,0,1]=4 63 B13R2.15 O=C1NCCN1C2=CC=CC=C2 Z1201621797 [2,0,0,0,0,0|1,0,1]=4 64 B13R2.15 O=C1OCCC1C2=CC=CC=C2 Z1198158252 [2,0,0,0,0,0|1,0,1]=4 65 B15R1.578 C#CCN(C)C(=O)[C@@H](C)C1=CC=CC=C1 Z1841070437 [0,1,1,0,0,0|1,0,1]=4 66 B15R1.8301 CC(C)N(C)C(=O)CC1=CC(=CC=C1)N Z992264220 [0,1,1,0,0,0|1,0,1]=4 67 B15R1.616 COC(=O)C(CC=O)C1=CC=C(C=C1)Cl Z2798864086 [0,1,1,0,0,0|1,0,0]=3 68 B15R1.635 CCCC(C(=O)N(C)C)C1=CC=CC=C1 Z32014933 [0,1,1,0,0,0|1,0,1]=4 69 B15R1.3197 CCC(=O)N(CC(=O)O)C1=CC=CC=C1 Z594129578 [0,1,1,0,0,0|2,0,0]=4 70 B15R1.348 CC(C)(C=O)C(=O)OCC1=CC=CC=C1 Z1889887980 [0,1,1,0,0,0|2,0,0]=4 71 B15R1.11817 CCC(=O)NC(C(=O)O)C1=CC=CC=C1 Z85968873 [0,1,1,0,0,0|2,0,0]=4 72 B15R2.2248 CCN1N=C(CC1=O)C2=CC=CC=C2 Z667950658 [1,1,0,0,0,0|1,0,1]=4 73 B15R2.2248 CN1C=C(C=C1C=O)C2=CC=CC=C2 Z2751736815 [1,1,0,0,0,0|0,0,2]=4 74 B15R2.309 CC1=CC=C(C=C1)C2CC(=O)NC2=O Z1255403494 [1,1,0,0,0,0|0,0,0]=2 75 B15R2.309 NC1=CC=C(C=C1)C2NC(=O)NC2=O Z2574990835 [1,1,0,0,0,0|1,0,0]=3 76 B15R2.309 O=C1CC(=O)N(C1)C2=CC=C(C=C2)Br Z1331290884 [1,1,0,0,0,0|2,0,0]=4 77 B15R2.309 O=C1CC(C(=O)N1)C2=CC=C(C=C2)Cl Z1269155425 [1,1,0,0,0,0|0,0,0]=2 78 B15R2.309 O=C1CC(C(=O)N1)C2=CC=C(C=C2)F Z235450984 [1,1,0,0,0,0|0,0,0]=2 79 B15R2.309 O=C1CN(C(=O)N1)C2=CC=C(C=C2)Br Z57138525 [1,1,0,0,0,0|1,0,0]=3 80 B15R2.309 O=C1CN(C(=O)N1)C2=CC=C(C=C2)Cl Z57473923 [1,1,0,0,0,0|1,0,0]=3 81 B15R2.309 O=C1CN(C(=O)N1)C2=CC=C(C=C2)O Z56823250 [1,1,0,0,0,0|1,0,0]=3 82 B15R2.309 O=C1NC(=O)C(N1)C2=CC=C(C=C2)Br Z147641376 [1,1,0,0,0,0|1,0,0]=3 83 B15R2.309 O=C1NC(=O)C(N1)C2=CC=C(C=C2)Cl Z56896882 [1,1,0,0,0,0|1,0,0]=3 84 B15R2.309 O=C1NC(=O)C(N1)C2=CC=C(C=C2)F Z56893267 [1,1,0,0,0,0|1,0,0]=3 85 B15R2.323 CC1C(=O)NC(=O)N1C2=CC=CC=C2 Z227828900 [1,1,0,0,0,0|1,0,0]=3 86 B15R2.323 O=C1NC(=O)N(C1=O)C2=CC=CC=C2 Z99600492 [1,1,0,0,0,0|1,0,1]=4 87 B15R2.324 CC1(CC(=O)NC1=O)C2=CC=CC=C2 Z384975224 [1,1,0,0,0,0|0,0,0]=2 88 B15R2.324 CC1(CC(=O)OC1=O)C2=CC=CC=C2 Z96091867 [1,1,0,0,0,0|1,0,0]=3 89 B15R2.324 CC1(NC(=O)NC1=O)C2=CC=CC=C2 Z56899095 [1,1,0,0,0,0|1,0,0]=3 90 B15R2.324 CC1(NC(=O)NC1=O)C2=CC=NC=C2 Z56858189 [1,1,0,0,0,0|2,0,0]=4 91 B15R2.324 CC1(NC(=O)NC1=O)C2=CN=CC=C2 Z240132052 [1,1,0,0,0,0|2,0,0]=4 92 B15R2.324 CC1(NC(=O)NC1=O)C2=NC=CC=C2 Z240132048 [1,1,0,0,0,0|2,0,0]=4 93 B15R2.324 CC1(OC(=O)NC1=O)C2=CC=CC=C2 Z1262692248 [1,1,0,0,0,0|1,0,0]=3 94 B15R2.324 C[C@@]1(NC(=O)NC1=O)C2=CC=CC=C2 Z1262692108 [1,1,0,0,0,0|1,0,0]=3 95 B15R2.324 C[C@]1(NC(=O)NC1=O)C2=CC=CC=C2 Z1262691920 [1,1,0,0,0,0|1,0,0]=3 96 B15R2.327 CC1(NC(=O)CC1C2=CC=CC=C2)C Z1270256397 [1,1,0,0,0,0|1,0,1]=4 97 B15R2.334 O=C1CC(=O)C(N1)C2=CC=CC(=C2)Br Z2489420077 [1,1,0,0,0,0|2,0,0]=4 98 B15R2.334 O=C1CC(C(=O)N1)C2=CC=CC(=C2)Br Z1269180050 [1,1,0,0,0,0|0,0,0]=2 99 B15R2.334 O=C1CN(C(=O)N1)C2=CC=CC(=C2)Cl Z277054656 [1,1,0,0,0,0|1,0,0]=3 100 B15R2.334 O=C1NC(=O)C(N1)C2=CC=CC(=C2)Br Z147641380 [1,1,0,0,0,0|1,0,0]=3 101 B15R2.334 O=C1NC(=O)C(N1)C2=CC=CC(=C2)O Z247613732 [1,1,0,0,0,0|1,0,0]=3 102 B15R2.557 CC1=C(C=CC=C1)C2NC(=O)NC2=O Z240132132 [1,1,0,0,0,0|1,0,0]=3 103 B15R2.557 O=C1CC(=O)N(C1)C2=C(C=CC=C2)Cl Z1331290852 [1,1,0,0,0,0|2,0,0]=4 104 B15R2.557 O=C1NC(=O)C(N1)C2=C(C=CC=C2)Br Z277049780 [1,1,0,0,0,0|1,0,0]=3 105 B15R2.557 O=C1NC(=O)C(N1)C2=C(C=CC=C2)Cl Z147641370 [1,1,0,0,0,0|1,0,0]=3 106 B15R2.18933 CN1CCN(C1=O)C2=CC=C(C=C2)Br Z1813108690 [1,1,0,0,0,0|1,0,1]=4 107 B17R2.38867 CC1(NC(=O)C(NC1=O)C2=CC=CC=C2)C Z1230462241 [0,1,0,0,0,1|2,0,0]=4 108 B17R2.38867 CC1(NC(=O)[C@@H](NC1=O)C2=CC=CC=C2)C Z3301353913 [0,1,0,0,0,1|2,0,0]=4 109 B17R2.56401 CC1NC(=O)C(NC1=O)C2=CC=C(C=C2)Br Z3210487174 [0,1,0,0,0,1|2,0,0]=4 110 B17R2.470 CC1=CC=C(C=C1)NC2CC(=O)N(C2=O)C Z204006960 [0,1,0,0,0,1|0,0,0]=2 111 B17R2.5113 CN1C(=O)CC(C1=O)NC2=C(C=NC=N2)Br Z1272128358 [0,1,0,0,0,1|2,0,0]=4 112 B17R2.5113 CN1C(=O)CC(C1=O)NC2=C(C=NC=N2)Cl Z1777216922 [0,1,0,0,0,1|2,0,0]=4 113 B17R2.17818 CCN1C(=O)CC(C1=O)NC2=CC=CC=C2 Z219230330 [0,1,0,0,0,1|0,0,0]=2 114 B17R2.17818 CCN1C(=O)NC(C1=O)CC2=CC=CC=C2 Z53847702 [0,1,0,0,0,1|1,0,0]=3 115 B17R2.17818 CCN1C(=O)SC(C1=O)NC2=CC=CC=C2 Z221604512 [0,1,0,0,0,1|1,0,0]=3 116 B17R2.41858 CC1=CC=CC(=C1)NC2CC(=O)N(C2=O)C Z219230418 [0,1,0,0,0,1|0,0,0]=2 117 B17R2.17858 NC=C1C(=O)CC(CC1=O)C2=CC=CC=C2 Z56926852 [0,1,0,0,0,1|1,0,1]=4 118 B17R2.346685 CN1C(=O)NC(C1=O)(C)C2=CC=C(C=C2)N Z2509346538 [0,2,0,0,0,0|1,0,0]=3 119 B17R2.13800 CCN1C(=O)NC(C1=O)(C)C2=CC=CC=C2 Z53842734 [0,2,0,0,0,0|1,0,0]=3 120 B17R2.13193 CCC1(NC(=O)N(C1=O)C)C2=CC=CC=C2 Z53843610 [0,2,0,0,0,0|1,0,0]=3 121 B17R2.13193 CCC1(NC(=O)N(C1=O)N)C2=CC=CC=C2 Z89272870 [0,2,0,0,0,0|2,0,0]=4 122 B15R2.984 CC(=O)N1CC2=C(C=CC=C2)CC1C Z1260482315 [0,0,1,1,0,0|1,0,1]=4 123 B15R2.19410 CNC(=O)C1(CCC1)C2=CC=CC=C2 Z252380864 [0,0,1,1,0,0|1,0,1]=4 124 B15R2.23388 COC(=O)C1CC(=O)C2=C1C=CC=C2 Z1198158757 [0,0,1,1,0,0|1,0,0]=3 125 B15R2.23388 COC(=O)C1NC(=O)C2=C1C=CC=C2 Z1255406307 [0,0,1,1,0,0|2,0,0]=4 126 B15R2.79765 CNC(=O)C1CCCC2=C1C=CC=C2 Z300243698 [0,0,1,1,0,0|1,0,1]=4 127 B15R2.24490 O=C(CCC1=CC=CC=C1)N2CCC2 Z69031669 [0,0,1,1,0,0|1,0,1]=4 128 B15R2.4 CNC(=O)CN1C=NC2=C1C=CC=C2 Z19648084 [0,0,1,1,0,0|2,0,0]=4 129 B15R2.543 O=C1CC(NCCN1)C2=CC=CC=C2 Z431564442 [0,0,1,1,0,0|2,0,0]=4 130 B15R2.5167 O=C1CC(CN1)(CO)C2=CC=CC=C2 Z2235386865 [0,0,1,1,0,0|0,0,2]=4 131 B13R2.373 CC1C(=O)CC1C2=CC=CC=C2 Z1436543792 [1,0,0,0,1,0|1,0,0]=3 132 B13R2.373 CC1C(=O)NC1C2=CC=CC=C2 Z1267861070 [1,0,0,0,1,0|2,0,0]=4 133 B15R1.496 CC(=O)NC(C)C(=O)NC1=CC=CC=C1 Z27782463 [0,0,1,0,0,1|2,0,0]=4 134 B15R1.3675 CN(NC(=O)NC1=CC=CC=C1)C(=O)N Z1567952441 [0,0,1,0,0,1|2,0,0]=4 135 B15R2.27 CC1=CC(=O)CC(C1)C2=CC=CC=C2 Z1336733850 [1,0,0,0,0,1|1,0,1]=4 136 B15R2.27 CC1CC(=O)CC(C1)C2=CC=CC=C2 Z1251357884 [1,0,0,0,0,1|1,0,1]=4 137 B15R2.325 O=C1CC(=O)N(C1)CC2=CC=CC=C2 Z1331290820 [1,0,0,0,0,1|2,0,0]=4 138 B15R2.325 O=C1CC(C(=O)N1)CC2=CC=CC=C2 Z1227757295 [1,0,0,0,0,1|0,0,0]=2 139 B15R2.325 O=C1CC(C(=O)N1)CC2=CC=NC=C2 Z1227757326 [1,0,0,0,0,1|1,0,0]=3 140 B15R2.325 O=C1CC(C(=O)N1)CC2=CN=CC=C2 Z1227757416 [1,0,0,0,0,1|1,0,0]=3 141 B15R2.325 O=C1CN(C(=S)N1)CC2=CC=CC=C2 Z823366584 [1,0,0,0,0,1|1,1,0]=4 142 B15R2.325 O=C1NC(=O)C(N1)CC2=CC=CC=C2 Z56862344 [1,0,0,0,0,1|1,0,0]=3 143 B15R2.325 O=C1[N-]C(=O)C(S1)CC2=CC=CC=C2 Z85922871 [1,0,0,0,0,1|1,0,1]=4 144 B15R2.389 C[C@@H]1NC(=O)CO[C@H]1C2=CC=CC=C2 Z2309992038 [1,0,0,0,0,1|1,0,1]=4 145 B15R2.389 O=C1CCC(C(=O)N1)C2=NC=CC=C2 Z1262693590 [1,0,0,0,0,1|1,0,0]=3 146 B15R2.389 O=C1CCN(C(=O)N1)C2=CC=CC=C2 Z594217640 [1,0,0,0,0,1|1,0,0]=3 147 B15R2.389 O=C1NCC(C(=O)N1)C2=CC=CC=C2 Z1033091560 [1,0,0,0,0,1|0,0,0]=2