0 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 T273716 [1,0,0,0,0,0|0,0,2]=3 1 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [1,0,0,0,0,0|1,0,0]=2 2 B13R1.24 CCCCNC(C)C1=CC=CC=C1 R592528 [1,0,0,0,0,0|2,0,1]=4 3 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [1,0,0,0,0,0|1,0,0]=2 4 B13R1.24 C[Se]CCNC(=O)C1=CC=CC=C1 S893110 [1,0,0,0,0,0|2,0,0]=3 5 B13R1.337 CN(C)CC/C=C/C1=CN=CC=C1 PH007455 [1,0,0,0,0,0|3,0,0]=4 6 B15R1.882 CN(C)CCOC(=O)C1=CC=C(C=C1)Cl PH012997 [0,1,0,0,0,0|1,0,0]=2 7 B15R1.959 C=C(CCl)CCOC(=O)C1=CC=CC=C1 T286737 [0,1,0,0,0,0|0,0,2]=3 8 B15R1.959 COC(=O)CCNC(=O)C1=CC=CC=C1 S883689 [0,1,0,0,0,0|2,0,1]=4 9 B15R1.1076 CC(C)CC(C)NC(=O)C1=CC=CC=C1 R269158 [0,1,0,0,0,0|1,0,0]=2 10 B15R1.1078 CN(C)CCN(C)C(=O)C1=CC=CC=C1 PH007866 [0,1,0,0,0,0|2,0,0]=3 11 B15R1.8019 CN(C)CCNC(=O)C1=CC=CN=C1Cl PH019169 [0,1,0,0,0,0|3,0,0]=4 12 B15R1.8273 CN(C)CCNC(=O)C1=CC=CC(=C1)Cl PH007456 [0,1,0,0,0,0|2,0,0]=3 13 B15R1.9094 C[Si](C)(C)CCOC(=O)C1=CC=CC=C1 S332925 [0,1,0,0,0,0|0,1,0]=2 14 B15R2.612 O=C1CC(C1)OC(=O)C2=CC=CC=C2 OMC00027 [0,0,0,1,0,0|1,0,1]=3 15 B15R2.1113 CN1CCOC(C1)(O)C2=CC=CC=C2 PH012603 [0,0,0,1,0,0|1,0,2]=4 16 B15R2.53147 CC(C)OC1OC(=O)C2=C1C=CC=C2 S662623 [0,0,0,1,0,0|1,0,0]=2 17 B15R2.53147 O=C(O)CC1OC(=O)C2=C1C=CC=C2 PH011453 [0,0,0,1,0,0|2,0,1]=4 18 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,0,0,0,1,0|1,0,1]=3 19 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,0,0,0,1,0|2,0,1]=4 20 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 S561045 [0,0,0,0,1,0|0,0,0]=1 21 B13R1.45 CC(C)CNC(=O)C1=CC=CC=C1 R531251 [0,0,0,0,1,0|1,0,0]=2 22 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 VBP00025 [0,0,0,0,1,0|1,0,0]=2 23 B13R1.45 CC(C)NCC(Cl)C1=CC=CC=C1 PH007698 [0,0,0,0,1,0|2,0,1]=4 24 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 PH006879 [0,0,0,0,1,0|1,0,2]=4 25 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 S447862 [0,0,0,0,1,0|1,0,2]=4 26 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 R156043 [0,0,0,0,1,0|1,0,0]=2 27 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 PH009924 [0,0,0,0,1,0|1,0,2]=4 28 B13R1.45 CN(C)CNC(=O)C1=CC=CC=C1 PH008934 [0,0,0,0,1,0|2,0,0]=3 29 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 PH003469 [0,0,0,0,1,0|2,0,1]=4 30 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,0,0,0,1,0|2,0,1]=4 31 B13R1.342 CC(C)CCOC(=O)C1=CC=CO1 CDS000538 [0,0,0,0,1,0|1,0,0]=2 32 B13R1.342 CN(C)CCNC(=O)C1=CC=CO1 PH013594 [0,0,0,0,1,0|3,0,0]=4 33 B15R1.497 CC(=O)CCCCC(=O)C1=CC=CC=C1 T270334 [0,0,0,0,0,1|2,0,1]=4 34 B15R1.1081 CN(C)CCOC(=O)NC1=CC=CC=C1 S638358 [0,0,0,0,0,1|1,0,0]=2 35 B12R1.8 CCCCCOC1=CC=CC=C1 S563374 [2,0,0,0,0,0|2,0,0]=4 36 B12R1.8 CCCCN=CC1=CC=CC=C1 S381322 [2,0,0,0,0,0|1,0,0]=3 37 B12R1.8 ClCCCOCC1=CC=CC=C1 PH011743 [2,0,0,0,0,0|1,0,1]=4 38 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [2,0,0,0,0,0|0,0,2]=4 39 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [2,0,0,0,0,0|0,0,2]=4 40 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [2,0,0,0,0,0|1,0,0]=3 41 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [2,0,0,0,0,0|1,0,0]=3 42 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [2,0,0,0,0,0|1,1,0]=4 43 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [2,0,0,0,0,0|1,1,0]=4 44 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [2,0,0,0,0,0|2,0,0]=4 45 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [2,0,0,0,0,0|2,0,0]=4 46 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [2,0,0,0,0,0|1,0,0]=3 47 B14R1.19 CCCCCC(=O)C1=CC=C(C=C1)Cl S759295 [1,1,0,0,0,0|1,0,0]=3 48 B14R1.20 CCCCNC(=O)C1=CC(=CC=C1)Cl R704067 [1,1,0,0,0,0|1,0,0]=3 49 B14R1.20 CCCCNC(=O)C1=CC=CC(=C1)N S632309 [1,1,0,0,0,0|1,0,0]=3 50 B14R1.29 CCCC(C)NC(=O)C1=CC=CC=C1 R269034 [1,1,0,0,0,0|1,0,0]=3 51 B14R1.29 CCOC(=O)OC(=O)C1=CC=CC=C1 PH008263 [1,1,0,0,0,0|1,0,1]=4 52 B14R1.38 C=CCCCCC(=O)C1=CC=CC=C1 T242071 [1,1,0,0,0,0|1,0,1]=4 53 B14R1.38 CCCCCOC(=O)C1=CC=CC=C1 CDS000554 [1,1,0,0,0,0|0,0,0]=2 54 B14R1.38 O=C(NCCCCO)C1=CC=CC=C1 PH003561 [1,1,0,0,0,0|1,0,0]=3 55 B14R1.38 O=C(OCCCCCl)C1=CC=CC=C1 S389447 [1,1,0,0,0,0|0,0,0]=2 56 B14R1.38 O=CCCCCC(=O)C1=CC=CC=C1 T270512 [1,1,0,0,0,0|1,0,1]=4 57 B14R1.1035 CCCC/N=C(/C)\C1=CC=CC=C1O S730106 [1,1,0,0,0,0|2,0,0]=4 58 B14R1.1035 CCCCNC(=O)C1=C(C=CC=C1)Cl R703893 [1,1,0,0,0,0|1,0,0]=3 59 B14R1.818 CC(C)CC(=O)C=CC1=CC=CC=C1 S411019 [1,1,0,0,0,0|1,0,1]=4 60 B14R1.149 CC(C)CNC(=O)C1=CC(=CC=C1)Cl R463310 [0,1,0,0,1,0|1,0,0]=3 61 B14R1.149 CN(C)CCC(=O)C1=CC=CC(=C1)F PH014108 [0,1,0,0,1,0|1,0,0]=3 62 B14R1.149 CN(C)CCC(=O)C1=CC=CC(=C1)O PH012110 [0,1,0,0,1,0|1,0,0]=3 63 B14R1.160 CC(C)CNC(=O)C1=C(C=CC=C1)Br R573930 [0,1,0,0,1,0|1,0,0]=3 64 B14R1.160 CC(C)CNC(=O)C1=C(C=CC=C1)Cl R703877 [0,1,0,0,1,0|1,0,0]=3 65 B14R1.160 CC(O)COC(=O)C1=CC=CC=C1O S680656 [0,1,0,0,1,0|1,0,0]=3 66 B14R1.415 CC(C)N(C)CC(=O)C1=CC=CC=C1 PH012133 [0,1,0,0,1,0|1,0,0]=3 67 B14R1.415 CC(Cl)C(C)NC(=O)C1=CC=CC=C1 R738840 [0,1,0,0,1,0|2,0,0]=4 68 B14R1.415 C[C@H](Br)[C@H](C)OC(=O)C1=CC=CC=C1 T282758 [0,1,0,0,1,0|1,0,0]=3 69 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S346667 [0,1,0,0,1,0|1,0,0]=3 70 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S365831 [0,1,0,0,1,0|1,0,0]=3 71 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N S520608 [0,1,0,0,1,0|0,0,0]=2 72 B14R1.678 CC1=CC=C(C=C1)C(=O)CCN(C)C S935220 [0,1,0,0,1,0|1,0,0]=3 73 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(C)C R591424 [0,1,0,0,1,0|1,0,0]=3 74 B14R1.3098 CC(C)(C)ONC(=O)C1=CC=CC=C1 S283754 [0,1,0,0,1,0|2,0,0]=4 75 B14R1.3098 CC(C)([NH3+])COC(=O)C1=CC=CC=C1 L498602 [0,1,0,0,1,0|0,0,0]=2 76 B16R1.612 CC(O)CN(C)CCC(=O)C1=CC=CC=C1 PH012116 [0,1,0,0,0,1|2,0,0]=4 77 B16R1.613 CC(C)CCOC(=O)C(Br)C1=CC=CC=C1 S351504 [0,1,0,0,0,1|1,0,1]=4 78 B16R1.613 CC(C)CCOC(=O)C(N)C1=CC=CC=C1 R414166 [0,1,0,0,0,1|1,0,1]=4 79 B16R1.613 CC(C)CCOC(=O)C(O)C1=CC=CC=C1 S351512 [0,1,0,0,0,1|0,0,2]=4 80 B16R1.7611 CC(C)NCC(O)CS(=O)C1=CC=CC=C1 PH013379 [0,1,0,0,0,1|2,0,0]=4 81 B16R1.10817 CC(=O)OCCOC(=O)C1=C(C=CC=C1)O PH011425 [0,1,0,0,0,1|1,0,1]=4 82 B16R1.1067 CC1=CC=C(C=C1)NC(=O)OCCN(C)C S666521 [0,1,0,0,0,1|1,0,0]=3 83 B16R1.1067 CN(C)CCOC(=O)NC1=CC=C(C=C1)Br S711713 [0,1,0,0,0,1|1,0,0]=3 84 B16R1.1067 CN(C)CCOC(=O)NC1=CC=C(C=C1)Cl S607622 [0,1,0,0,0,1|1,0,0]=3 85 B16R1.1067 CN(C)CCOC(=O)NC1=CC=C(C=C1)F S714240 [0,1,0,0,0,1|1,0,0]=3 86 B16R1.6940 CC(C)CC(C)NC(=O)NC1=CC=CC=C1 R677035 [0,1,0,0,0,1|1,0,0]=3 87 B16R1.7414 CN(C)CCOC(=O)NC1=C(C=CC=C1)Cl S638331 [0,1,0,0,0,1|1,0,0]=3 88 B16R1.11236 CN(C)CCOC(=O)NC1=CC(=CC=C1)Cl S609668 [0,1,0,0,0,1|1,0,0]=3 89 B16R1.1038 CC(C)CC(C)NC(=O)C1=CC=C(C=C1)Br R268976 [0,2,0,0,0,0|1,0,0]=3 90 B16R1.1038 CC(C)CC(C)NC(=O)C1=CC=C(C=C1)Cl R269166 [0,2,0,0,0,0|1,0,0]=3 91 B16R1.1038 CC(CN(C)C)OC(=O)C1=CC=C(C=C1)Cl S659789 [0,2,0,0,0,0|1,0,0]=3 92 B16R1.1038 CC1=CC=C(C=C1)C(=O)OC(C)CN(C)C S659975 [0,2,0,0,0,0|1,0,0]=3 93 B16R1.555 CCN(CC)CCCC(=O)C1=CC=CC=C1 PH012713 [0,2,0,0,0,0|2,0,0]=4 94 B16R1.555 CCN(CC)CCNC(=O)C1=CC=CC=C1 PH007411 [0,2,0,0,0,0|2,0,0]=4 95 B16R1.555 CCN(CC)CCOC(=O)C1=CC=CC=C1 R465240 [0,2,0,0,0,0|1,0,0]=3 96 B16R1.555 CCN(CC)CCOC(=O)C1=CC=CN=C1 R288020 [0,2,0,0,0,0|2,0,0]=4 97 B16R1.7437 CC1=CC=CC=C1C(=O)NC(C)CC(C)C PH009458 [0,2,0,0,0,0|1,0,0]=3 98 B16R1.7437 CC1=CC=CC=C1C(=O)OC(C)CN(C)C S659800 [0,2,0,0,0,0|1,0,0]=3 99 B16R1.19729 CN(C)CCNC(=O)C1=CC=CC(=C1)CN CDS022925 [0,2,0,0,0,0|2,0,0]=4 100 B14R2.114 C=C(C1=CC=CC=C1)C2CCCC2 S960012 [1,0,0,1,0,0|2,0,0]=4 101 B14R2.114 O=C(C1=CC=CC=C1)C2CCCC2 PH000033 [1,0,0,1,0,0|1,0,0]=3 102 B14R2.114 O=C(C1=CN=CC=C1)N2CCCC2 S398888 [1,0,0,1,0,0|2,0,0]=4 103 B14R2.510 CCOC1OC(=O)C2=C1C=CC=C2 S663018 [1,0,0,1,0,0|1,0,0]=3 104 B14R2.1253 C1=CC=C(C=C1)C2=CCCCCC2 S39382 [1,0,0,1,0,0|2,0,0]=4 105 B14R2.403 CC1(COC(=N1)C2=CC=NC=C2)C PH008436 [0,0,0,1,1,0|2,0,0]=4 106 B14R2.403 CC1(COC(=N1)C2=CN=CC=C2)C PH000341 [0,0,0,1,1,0|2,0,0]=4 107 B16R2.236 NC1CCCN(C1)C(=O)C2=CC=CC=C2 CBR00903 [0,0,0,1,0,1|2,0,0]=4 108 B16R2.2829 CN1CCC(C1)OC(=O)C2=CC=CC=C2 PH008080 [0,0,0,1,0,1|1,0,0]=3 109 B16R2.492 CC(C)CCOC1=NC2=C(S1)C=CC=C2 R438944 [0,0,0,1,0,1|0,1,0]=3 110 B16R2.4003 CC(C)CCN1C(=NC2=C1C=CC=C2)N L202517 [0,0,0,1,0,1|2,0,0]=4 111 B16R2.4003 CC(C)NCN1C(=O)SC2=C1C=CC=C2 R240419 [0,0,0,1,0,1|2,0,0]=4 112 B16R2.120 CC1CCN(CC1)C(=O)C2=CC=CC=C2 PH009009 [0,1,0,1,0,0|1,0,0]=3 113 B16R2.27715 O=C(OC1CC(C1)(F)F)C2=CC=CC=C2 OMC00060 [0,1,0,1,0,0|1,0,0]=3 114 B12R1.35 CCCCCC(=O)C1=CC=CO1 CDS001493 [1,0,0,0,1,0|2,0,0]=4 115 B12R1.252 CC(=CCOC1=CC=CC=C1)C S134643 [1,0,0,0,1,0|0,0,2]=4 116 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [1,0,0,0,1,0|1,0,0]=3 117 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [1,0,0,0,1,0|1,0,1]=4 118 B12R1.252 CC(O)C/N=C/C1=CC=CC=C1 PH009580 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,0,0,0,1,0|1,0,1]=4 120 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [1,0,0,0,1,0|1,1,0]=4 121 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,0,0,0,1,0|1,0,1]=4 122 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [1,0,0,0,1,0|1,0,1]=4 123 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [1,0,0,0,1,0|0,1,1]=4 124 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 L158135 [0,0,0,0,2,0|2,0,0]=4 125 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,0,0,0,2,0|1,0,1]=4 126 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [0,0,0,0,2,0|0,0,0]=2 127 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 CBR01334 [0,0,0,0,2,0|1,0,0]=3 128 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [0,0,0,0,2,0|0,0,0]=2 129 B14R1.158 C/C=C/COC(=O)NC1=CC=CC=C1 S724408 [1,0,0,0,0,1|0,0,2]=4 130 B14R1.158 CCCCCC(=O)OC1=CC=CC=C1 S657891 [1,0,0,0,0,1|1,0,0]=3 131 B14R1.158 CCCCNC(=O)CC1=CC=CC=C1 R371467 [1,0,0,0,0,1|1,0,0]=3 132 B14R1.158 CCCCNC(=O)NC1=CC=CC=C1 S591246 [1,0,0,0,0,1|1,0,0]=3 133 B14R1.158 CCCCNC(=S)NC1=CC=CC=C1 S520969 [1,0,0,0,0,1|1,1,0]=4 134 B14R1.158 CCCCOC(=O)NC1=CC=CC=C1 S586366 [1,0,0,0,0,1|0,0,0]=2 135 B14R1.158 CCCCSC(=O)NC1=CC=CC=C1 S644005 [1,0,0,0,0,1|0,1,0]=3 136 B14R1.158 CCCCSC(=S)NC1=CC=CC=C1 PH011582 [1,0,0,0,0,1|0,2,0]=4 137 B14R1.158 CCCONC(=O)NC1=CC=CC=C1 R452696 [1,0,0,0,0,1|2,0,0]=4 138 B14R1.158 COCCNC(=O)NC1=CC=CC=C1 S610704 [1,0,0,0,0,1|2,0,0]=4 139 B14R1.158 COCCOC(=O)NC1=CC=CC=C1 S644072 [1,0,0,0,0,1|1,0,0]=3 140 B14R1.158 N#CCCOC(=O)NC1=CC=CC=C1 S645192 [1,0,0,0,0,1|1,0,1]=4 141 B14R1.422 CC(C)CCON=CC1=CC=CC=N1 S355100 [1,0,0,0,0,1|1,0,0]=3 142 B14R1.422 CC(C)CCON=CC1=CC=NC=C1 S355127 [1,0,0,0,0,1|1,0,0]=3 143 B14R1.422 CC(C)CCON=CC1=CN=CC=C1 S355119 [1,0,0,0,0,1|1,0,0]=3 144 B16R1.609 CN(C)CCCCOC(=O)C1=CC=CC=C1 R226181 [0,0,0,0,0,2|1,0,0]=3 145 B16R1.610 CN(C)CCCNC(=O)NC1=CC=CC=C1 S543756 [0,0,0,0,0,2|2,0,0]=4