0 B14R1.623 CCNC(=O)C1=C(C=CC=C1)[N+](=O)[O-] TMT00074 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.623 CCOC(=O)C1=CC=CC=C1[N+](=O)[O-] S435007 [0,0,0,0,0,0|1,0,1]=2 2 B13R1.464 CCOC(=O)C1=C(C=CC=C1)OC CDS001205 [1,0,0,0,0,0|2,0,0]=3 3 B13R1.547 C/C(=N\O)/C1=C(C=CC=C1)C(=O)O R584746 [1,0,0,0,0,0|3,0,0]=4 4 B13R1.547 COC(=O)C1=CC=CC=C1N(C)C PH011027 [1,0,0,0,0,0|3,0,0]=4 5 B13R1.572 CCCOC1=C(C=CC=C1)C(=O)N PH011074 [1,0,0,0,0,0|3,0,0]=4 6 B13R1.572 CCCOC1=CC=CN=C1C(=O)O CDS000097 [1,0,0,0,0,0|3,0,0]=4 7 B13R1.572 CCCSC1=CC=CC=C1C(=O)N PH007181 [1,0,0,0,0,0|3,0,0]=4 8 B13R1.572 CCCSC1=CC=CC=C1C(=O)O L255165 [1,0,0,0,0,0|2,0,0]=3 9 B15R1.765 CCOC(=O)C1=CC(=CC=C1[N+](=O)[O-])C PH011133 [0,1,0,0,0,0|1,0,1]=3 10 B15R1.811 CCOC(=O)C1=CC=CC=C1S(=O)(=O)[O-] S393495 [0,1,0,0,0,0|1,0,1]=3 11 B15R1.812 CCNC(=O)C1=C(C=CC=C1)C(=O)OC S871672 [0,1,0,0,0,0|1,0,0]=2 12 B15R1.1239 C#CCOC(=O)C1=CC=CC=C1C(=O)O PH009972 [0,1,0,0,0,0|0,0,1]=2 13 B15R1.5509 CC(C)NC(=O)C1=CC=CC=C1[N+](=O)[O-] R128694 [0,1,0,0,0,0|2,0,1]=4 14 B15R2.65988 O=C1CCCS(=O)(=O)C2=CC=CC=C12 T312770 [0,0,0,1,0,0|2,0,1]=4 15 B15R2.65988 O=C1NCCS(=O)(=O)C2=C1C=CC=C2 S683469 [0,0,0,1,0,0|2,0,1]=4 16 B15R1.810 CCCC(=O)C1=C(C=CC=C1)NC(=O)C S731358 [0,0,0,0,0,1|2,0,0]=3 17 B15R1.810 CCOC(=O)C1=CC=CC=C1NC(=O)C R591637 [0,0,0,0,0,1|1,0,0]=2 18 B15R1.1274 CCOC(=O)CC1=C(C=CC=C1)C(=O)O PH008827 [0,0,0,0,0,1|0,0,0]=1 19 B15R1.1274 CCOC(=O)CC1=C(C=CC=C1)[N+](=O)[O-] S809217 [0,0,0,0,0,1|1,0,1]=3 20 B15R1.1274 CCOC(=O)NC1=CC=CC=C1[N+](=O)[O-] PH008916 [0,0,0,0,0,1|1,0,1]=3 21 B15R1.1274 CCOC(=O)NC1=CC=CN=C1[N+](=O)[O-] R584762 [0,0,0,0,0,1|2,0,1]=4 22 B15R1.1274 N#CCC(=O)NC1=CC=CC=C1C(=O)O S622265 [0,0,0,0,0,1|2,0,1]=4 23 B15R1.1274 O=C(CCCl)NC1=C(C=CC=C1)C(=O)O R592978 [0,0,0,0,0,1|2,0,0]=3 24 B12R1.77 CNC(=O)C1=CC=CC=C1CO S872261 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O KOB0002 [2,0,0,0,0,0|0,0,0]=2 26 B12R1.77 COC(=O)C1=C(C=CC=C1)SC PH011017 [2,0,0,0,0,0|2,0,0]=4 27 B12R1.77 COC(=O)C1=CC=CC=C1C#N S445398 [2,0,0,0,0,0|1,0,1]=4 28 B12R1.77 COC(=O)C1=CC=CC=C1CN CDS002791 [2,0,0,0,0,0|1,0,1]=4 29 B12R1.308 C=COC(=O)C1=CC=CC=C1O S375306 [2,0,0,0,0,0|0,0,2]=4 30 B12R1.308 CCNC(=O)C1=C(C=CC=C1)C R467715 [2,0,0,0,0,0|1,0,1]=4 31 B12R1.308 CCOC(=O)C1=C(C=CC=C1)F PH014251 [2,0,0,0,0,0|1,0,0]=3 32 B12R1.308 CCOC(=O)C1=C(N=NC=C1)O CDS021208 [2,0,0,0,0,0|2,0,0]=4 33 B12R1.308 CCOC(=O)C1=CC=CC=[N+]1C R179035 [2,0,0,0,0,0|1,0,1]=4 34 B12R1.308 CCOC(=O)C1=NC=CC=C1O PH009854 [2,0,0,0,0,0|1,0,0]=3 35 B12R1.308 CNNC(=O)C1=CC=CC=C1O PH008875 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.308 O=C(NCO)C1=CC=CC=C1O S385050 [2,0,0,0,0,0|2,0,0]=4 37 B12R1.261 CC(C)C1=CC=CC=C1C(=O)O CDS021442 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)N S354791 [2,0,0,0,0,0|2,0,0]=4 39 B12R1.261 NC(=O)C1=CC=CC=C1C(=O)[O-] L132101 [2,0,0,0,0,0|1,0,1]=4 40 B12R1.261 O=C(O)C1=CC=CC=C1B(O)O CDS004617 [2,0,0,0,0,0|1,0,1]=4 41 B12R1.261 O=C(O)C1=CC=CC=C1S(=O)O S986054 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.283 CCNC1=CC=CC=C1C(=O)O S668524 [2,0,0,0,0,0|1,0,0]=3 43 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O PH011276 [2,0,0,0,0,0|1,0,0]=3 44 B14R1.7276 CCOC(=O)C1=C(C=CC=C1OC)C S295019 [1,1,0,0,0,0|2,0,0]=4 45 B14R1.317 CNS(=O)(=O)C1=CC=CC=C1C(=O)O PH007874 [1,1,0,0,0,0|2,0,0]=4 46 B14R1.429 CC(Br)C(=O)C1=C(C=CC=C1)[N+](=O)[O-] PH006127 [1,1,0,0,0,0|1,0,1]=4 47 B14R1.429 CN(C)C(=O)C1=C(C=CC=C1)C(=O)O PH010736 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.707 COC(=O)C1=CC(=CC=C1[N+](=O)[O-])C S914665 [1,1,0,0,0,0|1,0,1]=4 49 B14R1.707 COC(=O)C1=CC(=CC=C1[N+](=O)[O-])O PH002987 [1,1,0,0,0,0|1,0,1]=4 50 B14R1.745 COC(=O)C1=C(C=CC=C1)S(=O)(=O)C KOB0087 [1,1,0,0,0,0|1,0,1]=4 51 B14R1.746 COC(=O)C1=C(C=CC=C1)S(=O)CCl S12409 [1,1,0,0,0,0|2,0,0]=4 52 B14R1.746 COC(=O)C1=C(N=CC=C1)C(=O)OC S288039 [1,1,0,0,0,0|1,0,0]=3 53 B14R1.746 COC(=O)C1=CC=NC=C1C(=O)OC S877247 [1,1,0,0,0,0|1,0,0]=3 54 B14R1.1153 COC(=O)C1=CC=CC(=C1[N+](=O)[O-])C PH011164 [1,1,0,0,0,0|1,0,1]=4 55 B14R1.1164 COC(=O)C1=C(C=CC=C1F)B(O)O CDS021929 [1,1,0,0,0,0|1,0,1]=4 56 B14R1.67 CCCOC1=CC=C(C=C1C(=O)O)Br L255971 [1,1,0,0,0,0|2,0,0]=4 57 B14R1.67 CCCOC1=CC=C(C=C1C(=O)O)Cl L254908 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.903 CCCCCC1=CC=CC=C1C(=O)O PH007500 [1,1,0,0,0,0|1,0,1]=4 59 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)O PH010001 [1,1,0,0,0,0|2,0,0]=4 60 B14R1.4522 CC(C)CSC1=CC=CC=C1C(=O)O L255866 [1,1,0,0,0,0|2,0,0]=4 61 B16R1.960 CCOC(=O)C1=C(C=CC=C1)NC(=O)CBr R818054 [0,1,0,0,0,1|1,0,0]=3 62 B16R1.960 CCOC(=O)C1=C(C=CC=C1)NC(=O)CCl S381241 [0,1,0,0,0,1|1,0,0]=3 63 B16R1.960 CCOC(=O)C1=C(C=CC=C1)NC(=O)NC PH007959 [0,1,0,0,0,1|1,0,0]=3 64 B16R1.1556 CCCC(=O)NC1=CC=CC=C1C(=O)OC S795623 [0,1,0,0,0,1|1,0,0]=3 65 B16R1.4493 O=C(NC1=CC=CC=C1[N+](=O)[O-])OCCCl PH007048 [0,1,0,0,0,1|1,0,1]=4 66 B16R1.4578 CCOC(=O)C(O)C1=CC=CC=C1[N+](=O)[O-] PH001515 [0,1,0,0,0,1|1,0,1]=4 67 B16R1.12463 CC(=O)CC(=O)NC1=CC=CC=C1C(=O)O S671770 [0,1,0,0,0,1|1,0,1]=4 68 B16R1.13671 CCOC(=O)CC1=C(C=C(C=C1)Cl)[N+](=O)[O-] S301027 [0,1,0,0,0,1|1,0,1]=4 69 B16R1.13671 CCOC(=O)NC1=C(C=C(C=C1)C)[N+](=O)[O-] S804851 [0,1,0,0,0,1|1,0,1]=4 70 B16R1.13671 CCOC(=O)NC1=C(C=C(C=C1)Cl)[N+](=O)[O-] S802115 [0,1,0,0,0,1|1,0,1]=4 71 B16R1.11392 CC(C)OC(=O)C1=CC(=CC=C1[N+](=O)[O-])Cl PH014795 [0,2,0,0,0,0|1,0,1]=4 72 B16R1.14964 CCOC(=O)C1=CC=CN=C1C(=O)OCC PH011399 [0,2,0,0,0,0|1,0,0]=3 73 B16R1.874 CCC(C)OC(=O)C1=C(C=CC=C1)C(=O)O S278564 [0,2,0,0,0,0|0,0,0]=2 74 B16R1.1730 COCCNC(=O)C1=CC=CN=C1C(=O)O CDS013167 [0,2,0,0,0,0|2,0,0]=4 75 B16R1.12475 CC(C)(C)NC(=O)C1=CC=CC=C1C(=O)O S622443 [0,2,0,0,0,0|1,0,0]=3 76 B16R1.12475 CC(C)(C)NC(=O)C1=CC=CC=C1C(=O)O S701076 [0,2,0,0,0,0|1,0,0]=3 77 B16R1.12475 CC(C)(C)OC(=O)C1=C(C=CC=C1)C(=O)O PH009959 [0,2,0,0,0,0|0,0,0]=2 78 B16R1.12475 CC(C)(C)OC(=O)C1=C(C=CC=C1)[N+](=O)[O-] PH011531 [0,2,0,0,0,0|1,0,1]=4 79 B14R1.32 CCOC(=O)C=CC1=CC(=CC=C1)O S84086 [0,0,1,1,0,0|1,0,0]=3 80 B14R2.510 CCOC1OC(=O)C2=C1C=CC=C2 S663018 [1,0,0,1,0,0|0,0,2]=4 81 B14R2.4510 O=C1O[Cu]OC(=O)C2=C1C=CC=C2 S946745 [1,0,0,1,0,0|2,0,0]=4 82 B14R2.7150 CCOC1=NN=CC2=CC=CC=C12 T160083 [1,0,0,1,0,0|2,0,0]=4 83 B14R2.7724 CC1CC(=O)C2=C(S1=O)C=CC=C2 PH010711 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.7724 CN1NC(=O)C2=C(C1=O)C=CC=C2 PH000404 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.11691 COC1=CC=CC2=C1C(=O)OC2C S955930 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.24350 O=C(O)C1=CC=CC2=C1C(=O)NN2 PH017433 [1,0,0,1,0,0|2,0,0]=4 87 B14R2.29285 O=C1CCS(=O)(=O)C2=CC=CC=C12 T324698 [1,0,0,1,0,0|1,0,1]=4 88 B14R2.4 CN1C=CC2=C(C=CC=C12)C(=O)O CDS018490 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.31359 O=C(O)C1=CC=CC2=C1CCCC2 CDS003784 [1,0,0,1,0,0|1,0,1]=4 90 B14R2.31359 O=C(O)C1=CC=CC2=C1OCCC2 CDS017286 [1,0,0,1,0,0|2,0,0]=4 91 B14R2.8053 O=C(O)C1=COC2=C1C(=O)CCC2 PH010165 [0,0,0,1,1,0|2,0,0]=4 92 B16R2.3155 N1C(=O)CCCCC(=O)C2=C1C=CC=C2 S760633 [0,0,0,1,0,1|2,0,0]=4 93 B16R2.27521 NC(=O)C1=CC=CC=C1NC(=O)C2CC2 T325988 [0,0,0,1,0,1|2,0,0]=4 94 B16R2.2838 CC1=NOC(=N1)C2=CC=CC=C2C(=O)O CDS017412 [0,1,0,1,0,0|1,0,1]=4 95 B16R2.16139 O=C1NC2=C(C(=O)O1)C(=CC=C2)C(=O)O PH018158 [0,1,0,1,0,0|1,0,1]=4 96 B14R1.965 CCOC(=O)NC1=C(C=CC=C1)CC S650145 [1,0,0,0,0,1|1,0,1]=4 97 B14R1.965 CCOC(=O)NC1=C(C=CC=C1)OC S621854 [1,0,0,0,0,1|2,0,0]=4 98 B14R1.744 CCC(=O)C1=C(C=CC=C1)NC(=O)C S742821 [1,0,0,0,0,1|1,0,0]=3 99 B14R1.617 CCOC(=O)C1=CC=CC(=C1)[N+](=O)[O-] S706604 [0,0,0,0,1,1|1,0,1]=4 100 B16R1.4440 CCOC(=O)COC1=C(C=CC=C1)C(=O)C PH010755 [0,0,0,0,0,2|1,0,0]=3 101 B16R1.4440 CCOC(=O)COC1=C(C=CC=C1)[N+](=O)[O-] PH002900 [0,0,0,0,0,2|1,0,1]=4 102 B16R1.4440 CCOC(=O)NSC1=C(C=CC=C1)[N+](=O)[O-] R679038 [0,0,0,0,0,2|1,0,1]=4