0 B14R2.510 CCOC1OC(=O)C2=C1C=CC=C2 S663018 [0,0,0,0,0,0|1,0,1]=2 1 B14R2.510 CN/N=C/1\CC(=O)C2=C1C=CC=C2 R628085 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.510 CO/N=C/1\C=C(C2=CC=CC=C12)O T324914 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.1 CCNC1=C2C=CC=CC2=NS1 PH007426 [1,0,0,0,0,0|2,1,0]=4 4 B13R2.1 CN=CC1=CNC2=C1C=CC=C2 PH003895 [1,0,0,0,0,0|3,0,0]=4 5 B13R2.2931 CCN1N=C(C2=C1C=CC=C2)N CBR00053 [1,0,0,0,0,0|3,0,0]=4 6 B13R2.2931 N/N=C/1\CC(=O)C2=C1C=CC=C2 R956031 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.1428 CCCOC1OC(=O)C2=C1C=CC=C2 S662968 [0,1,0,0,0,0|0,0,2]=3 8 B15R2.53147 CC(C)OC1OC(=O)C2=C1C=CC=C2 S662623 [0,1,0,0,0,0|1,0,1]=3 9 B15R2.53147 O=C(O)/C=C/1\OC(=O)C2=C1C=CC=C2 S449504 [0,1,0,0,0,0|1,0,1]=3 10 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [0,0,1,0,0,0|1,0,2]=4 11 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [0,0,1,0,0,0|1,0,2]=4 12 B13R1.572 CCCOC1=C(C=CC=C1)C(=O)N PH011074 [0,0,1,0,0,0|2,0,1]=4 13 B13R1.572 CCCOC1=CC=CN=C1C(=O)O CDS000097 [0,0,1,0,0,0|2,0,1]=4 14 B13R1.572 CCCSC1=CC=CC=C1C(=O)N PH007181 [0,0,1,0,0,0|2,0,1]=4 15 B13R1.572 CCCSC1=CC=CC=C1C(=O)O L255165 [0,0,1,0,0,0|1,0,1]=3 16 B15R3.173 O=C1C2=C(C=CC=C2)C3=NCCN13 S759112 [0,0,0,1,0,0|2,0,0]=3 17 B15R2.886 CCCC1=CC(=C2C=CC=CC2=N1)N BBO000303 [0,0,0,0,0,1|2,0,1]=4 18 B15R2.886 CCCC1=CC2=CC=CC=C2C(=O)O1 PH008570 [0,0,0,0,0,1|0,0,1]=2 19 B15R2.886 CCOC1=NC2=CC=CC=C2C(=C1)Cl PH016023 [0,0,0,0,0,1|3,0,0]=4 20 B15R2.886 NCCC1=NC2=CC=CC=C2C(=O)N1 CBR02311 [0,0,0,0,0,1|2,0,1]=4 21 B15R2.4392 CCOC1=CC(=NC2=C1C=CC=C2)N PH000802 [0,0,0,0,0,1|3,0,0]=4 22 B15R2.4392 CCOC1=NC(=NC2=C1C=CC=C2)Cl PH008672 [0,0,0,0,0,1|3,0,0]=4 23 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [1,0,1,0,0,0|0,0,2]=4 24 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [1,0,1,0,0,0|1,0,1]=4 25 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [1,0,1,0,0,0|1,0,1]=4 26 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [1,0,1,0,0,0|1,0,0]=3 27 B12R1.30 O=C(/C=C/O[Na])C1=CC=CC=C1 TMT00060 [1,0,1,0,0,0|2,0,0]=4 28 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [1,0,1,0,0,0|1,0,1]=4 29 B12R1.77 COC(=O)C1=C(C=CC=C1)C=O KOB0002 [1,0,1,0,0,0|1,0,1]=4 30 B12R1.283 C=CCC1=CC=CC=C1C(=O)O CDS019640 [1,0,1,0,0,0|0,0,2]=4 31 B12R1.283 CCNC1=CC=CC=C1C(=O)O S668524 [1,0,1,0,0,0|1,0,0]=3 32 B12R1.283 CCOC1=C(C=CC=N1)C(=O)O PH011276 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.283 O=CNC1=CC=CC=C1C(=O)O S636886 [1,0,1,0,0,0|2,0,0]=4 34 B12R2.2028 CC1OC(=O)C2=C1C=CC=C2 PH010378 [2,0,0,0,0,0|0,0,1]=3 35 B12R2.2028 O=C1SC(=O)C2=C1C=CC=C2 PH009710 [2,0,0,0,0,0|1,1,0]=4 36 B12R2.2028 O=C1[N-]C(=O)C2=C1C=CC=C2 R426687 [2,0,0,0,0,0|2,0,0]=4 37 B14R1.29 CCOC(=O)OC(=O)C1=CC=CC=C1 PH008263 [0,1,1,0,0,0|1,0,0]=3 38 B14R1.29 CCOC(=S)NC(=O)C1=CC=CC=C1 PH002438 [0,1,1,0,0,0|2,0,0]=4 39 B14R1.29 CCSC(=S)NC(=O)C1=CC=CC=C1 PH009453 [0,1,1,0,0,0|2,0,0]=4 40 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CDS000554 [0,1,1,0,0,0|0,0,2]=4 41 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 S389447 [0,1,1,0,0,0|0,0,2]=4 42 B14R1.67 CCCOC1=CC=C(C=C1C(=O)O)Br L255971 [0,1,1,0,0,0|1,0,1]=4 43 B14R1.67 CCCOC1=CC=C(C=C1C(=O)O)Cl L254908 [0,1,1,0,0,0|1,0,1]=4 44 B14R1.903 CCCCCC1=CC=CC=C1C(=O)O PH007500 [0,1,1,0,0,0|0,0,2]=4 45 B14R1.3302 CCC(=O)NC1=C(C=CC=C1)C(=O)O PH010001 [0,1,1,0,0,0|1,0,0]=3 46 B14R1.3302 O=C(CCl)NC1=C(C=CC=C1)C(=O)O R996491 [0,1,1,0,0,0|2,0,0]=4 47 B14R1.3302 O=C(CCl)OC1=CC=CC=C1C(=O)O PH008891 [0,1,1,0,0,0|2,0,0]=4 48 B14R1.4522 CC(C)CSC1=CC=CC=C1C(=O)O L255866 [0,1,1,0,0,0|1,0,1]=4 49 B14R2.95 CCC(=O)N1C=CC2=C1C=CC=C2 S364282 [1,1,0,0,0,0|2,0,0]=4 50 B14R2.95 N1C=C(C2=C1C=CC=C2)C(=O)CC S370452 [1,1,0,0,0,0|2,0,0]=4 51 B14R2.19306 CCN1C(=O)C(=O)C2=CC=CC=C12 PH011274 [1,1,0,0,0,0|2,0,0]=4 52 B16R2.21680 CCOC1=NC2=CC=C(C=C2C(=O)O1)C T320935 [0,1,0,0,0,1|1,0,0]=3 53 B16R2.33942 CNC(=O)C1=NNC(=O)C2=C1C=CC=C2 EME00407 [0,1,0,0,0,1|2,0,0]=4 54 B16R2.33951 CCC(=O)N1CC(=O)NC2=C1C=CC=C2 T326631 [0,1,0,0,0,1|2,0,0]=4 55 B16R2.113313 CCCC1=CC(=O)OC2=C1C=CC(=C2)O PH014717 [0,1,0,0,0,1|1,0,1]=4 56 B16R2.365385 CCOC1=CC(=O)OC2=C1C=C(C=C2)F IDF00026 [0,1,0,0,0,1|2,0,0]=4 57 B16R2.496297 CCC(=O)N1C(=O)C(=O)C2=C1C=CC=C2 S914738 [0,2,0,0,0,0|2,0,0]=4 58 B16R2.155906 O=C1OC(=C(CI)CI)C2=C1C=CC=C2 S119628 [0,2,0,0,0,0|1,0,0]=3 59 B14R2.8 NCC1=COC(=N1)C2=CC=CC=C2 CBR00842 [0,0,1,1,0,0|2,0,0]=4 60 B14R2.4 CN1C=CC2=C(C=CC=C12)C(=O)O CDS018490 [0,0,1,1,0,0|1,0,0]=3 61 B14R2.1019 CNC1=NC2=C(C=CC=C2)C(=O)O1 PH008463 [0,0,1,1,0,0|2,0,0]=4 62 B14R2.31359 O=C(O)C1=CC=CC2=C1CCCC2 CDS003784 [0,0,1,1,0,0|0,0,2]=4 63 B14R2.31359 O=C(O)C1=CC=CC2=C1OCCC2 CDS017286 [0,0,1,1,0,0|1,0,1]=4 64 B14R2.31359 O=C(O)C1=CC=CC2=NC=CC=C12 CDS001076 [0,0,1,1,0,0|1,0,1]=4 65 B16R3.153 O=C1OCC2=CC=CC3=C2C1=CC=C3 S882739 [0,0,0,1,0,1|0,0,2]=4 66 B16R3.153 O=C1O[Hg]C2=CC=CC3=C2C1=CC=C3 T294187 [0,0,0,1,0,1|0,0,2]=4 67 B16R3.20606 O=C1C2=C(C=CC=C2)C3=NCCCN13 S657662 [0,1,0,1,0,0|1,0,1]=4 68 B14R1.158 C/C=C/COC(=O)NC1=CC=CC=C1 S724408 [0,0,1,0,0,1|0,0,2]=4 69 B14R1.158 CCCCOC(=O)NC1=CC=CC=C1 S586366 [0,0,1,0,0,1|0,0,2]=4 70 B14R2.112 CCNC1=CC=C2C=CC=CC2=C1 CDS011399 [1,0,0,0,0,1|2,0,0]=4 71 B14R2.112 CCOC1=NC2=CC=CC=C2C=C1 T160180 [1,0,0,0,0,1|2,0,0]=4 72 B14R2.1146 COC1=CC(=O)OC2=C1C=CC=C2 PH009702 [1,0,0,0,0,1|2,0,0]=4 73 B14R2.1146 CSC1=NC(=O)CC2=C1C=CC=C2 S761605 [1,0,0,0,0,1|2,0,0]=4