0 B13R1.45 CC(=NNC(=O)C1=CC=NC=C1)C S420018 [0,0,0,0,0,0|3,0,1]=4 1 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.45 CC(C)CCC(=O)C1=CC=CC=C1 S561045 [0,0,0,0,0,0|1,0,0]=1 5 B13R1.45 CC(C)CNC(=O)C1=CC=CC=C1 R531251 [0,0,0,0,0,0|1,0,0]=1 6 B13R1.45 CC(C)NCC(=O)C1=CC=CC=C1 VBP00025 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.45 CC(C)NCC(Cl)C1=CC=CC=C1 PH007698 [0,0,0,0,0,0|3,0,1]=4 8 B13R1.45 CC(C)NCC(O)C1=CC=CC=C1 PH006879 [0,0,0,0,0,0|2,0,2]=4 9 B13R1.45 CN(C)/C=C/C(=O)C1=CC=CN=C1 CBR02127 [0,0,0,0,0,0|3,0,1]=4 10 B13R1.45 CN(C)/C=C/C(=O)C1=CC=NC=C1 CBR02130 [0,0,0,0,0,0|3,0,1]=4 11 B13R1.45 CN(C)C=CC(=O)C1=CC=CC=C1 S447862 [0,0,0,0,0,0|2,0,1]=3 12 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 R156043 [0,0,0,0,0,0|2,0,0]=2 13 B13R1.45 CN(C)CCC(O)C1=CC=CC=C1 PH009924 [0,0,0,0,0,0|2,0,2]=4 14 B13R1.45 CN(C)CNC(=O)C1=CC=CC=C1 PH008934 [0,0,0,0,0,0|2,0,0]=2 15 B13R1.45 C[N+](=C/C=C(\Cl)/C1=CC=CC=C1)C S638773 [0,0,0,0,0,0|3,0,1]=4 16 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [0,0,0,0,0,0|3,0,1]=4 17 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 PH010689 [0,0,0,0,0,0|3,0,1]=4 18 B13R1.45 NC(=S)COC(=O)C1=CC=CC=C1 PH003469 [0,0,0,0,0,0|2,0,1]=3 19 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,0,0,0,0,0|3,0,1]=4 20 B13R1.45 O=C(O)COC(=O)C1=CC=CN=C1 R738832 [0,0,0,0,0,0|3,0,1]=4 21 B12R1.30 C=CCNC(=O)C1=CC=CC=C1 S884553 [1,0,0,0,0,0|1,0,2]=4 22 B12R1.30 C=CCOC(=O)C1=CC=CC=C1 S437867 [1,0,0,0,0,0|0,0,2]=3 23 B12R1.30 CC(OCCO)C1=CC=CC=C1 PH001956 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.30 CCCCC(O)C1=CC=CC=C1 S458872 [1,0,0,0,0,0|1,0,2]=4 25 B12R1.30 CCCNC(=O)C1=CC=CC=C1 S779121 [1,0,0,0,0,0|1,0,0]=2 26 B12R1.30 CCSCC(=O)C1=CC=CC=C1 S577030 [1,0,0,0,0,0|2,0,0]=3 27 B12R1.30 CN/C=C/C(=O)C1=CC=CC=C1 S732370 [1,0,0,0,0,0|2,0,1]=4 28 B12R1.30 N#CCNC(=O)C1=CC=CC=C1 L159336 [1,0,0,0,0,0|2,0,1]=4 29 B12R1.30 NCCNC(=O)C1=CC=CN=C1 CDS014760 [1,0,0,0,0,0|3,0,0]=4 30 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S412244 [1,0,0,0,0,0|1,1,0]=3 31 B12R1.30 NCCSC(=O)C1=CC=CC=C1 S445061 [1,0,0,0,0,0|1,1,0]=3 32 B12R1.30 O=C(NCCBr)C1=CC=CC=C1 PH010822 [1,0,0,0,0,0|2,0,0]=3 33 B12R1.30 O=C(NCCO)C1=CC=CC=C1 EME00384 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.30 O=C(NCCO)C1=CN=CC=C1 EME00383 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.30 O=C(OCCI)C1=CC=CC=C1 T245305 [1,0,0,0,0,0|1,0,0]=2 36 B12R1.30 OCCNC(=S)C1=CC=CC=C1 T149144 [1,0,0,0,0,0|2,1,0]=4 37 B12R1.252 CC(=C/C=C/C1=CC=CC=C1)C S881589 [1,0,0,0,0,0|1,0,2]=4 38 B12R1.252 CC(C)CCNC1=CC=CC=C1 S705780 [1,0,0,0,0,0|2,0,0]=3 39 B12R1.252 CC(C)CNCC1=CC=CC=C1 CBR01593 [1,0,0,0,0,0|1,0,1]=3 40 B12R1.252 CC(O)C/N=C/C1=CC=CC=C1 PH009580 [1,0,0,0,0,0|2,0,0]=3 41 B12R1.252 CC(O)CCCC1=CC=CC=C1 PH000677 [1,0,0,0,0,0|2,0,1]=4 42 B12R1.252 CC(O)CCSC1=CC=CC=C1 T233005 [1,0,0,0,0,0|3,0,0]=4 43 B12R1.252 CC(O)CNCC1=CC=CC=C1 PH009735 [1,0,0,0,0,0|2,0,1]=4 44 B12R1.252 CC(O)COCC1=CC=CC=C1 S376620 [1,0,0,0,0,0|1,0,1]=3 45 B12R1.252 CN(C)C/C=C/C1=CC=CC=C1 S933392 [1,0,0,0,0,0|2,0,0]=3 46 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 PH007995 [1,0,0,0,0,0|2,0,1]=4 47 B12R1.252 [SiH](C)(C)CCCC1=CC=CC=C1 S829870 [1,0,0,0,0,0|1,1,1]=4 48 B14R1.149 CC(C)CNC(=O)C1=CC(=CC=C1)Cl R463310 [0,1,0,0,0,0|1,0,0]=2 49 B14R1.149 CN(C)CCC(=O)C1=CC=CC(=C1)F PH014108 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.149 CN(C)CCC(=O)C1=CC=CC(=C1)O PH012110 [0,1,0,0,0,0|2,0,0]=3 51 B14R1.160 CC(=NNC(=O)C1=CC=CC=C1N)C S184764 [0,1,0,0,0,0|2,0,1]=4 52 B14R1.160 CC(C)CNC(=O)C1=C(C=CC=C1)Br R573930 [0,1,0,0,0,0|1,0,0]=2 53 B14R1.160 CC(C)CNC(=O)C1=C(C=CC=C1)Cl R703877 [0,1,0,0,0,0|1,0,0]=2 54 B14R1.160 CC(O)COC(=O)C1=CC=CC=C1O S680656 [0,1,0,0,0,0|1,0,0]=2 55 B14R1.160 CN(C)/C=C/C(=O)C1=C(C=CC=C1)O PH005179 [0,1,0,0,0,0|2,0,1]=4 56 B14R1.163 CCC(C)NNC(=O)C1=CC=NC=C1 PH007757 [0,1,0,0,0,0|3,0,0]=4 57 B14R1.163 CN(CNC(=O)C1=CC=CC=C1)N=O S323772 [0,1,0,0,0,0|3,0,0]=4 58 B14R1.163 CN(CNC(=O)C1=CC=CC=C1)N=O S327441 [0,1,0,0,0,0|3,0,0]=4 59 B14R1.163 COC(=O)CNC(=O)C1=CC=CC=C1 S750115 [0,1,0,0,0,0|2,0,1]=4 60 B14R1.415 C/C(=C\C(=O)C1=CC=CC=C1)/N(C)C KOB0015 [0,1,0,0,0,0|2,0,1]=4 61 B14R1.415 CC(C)N(C)CC(=O)C1=CC=CC=C1 PH012133 [0,1,0,0,0,0|2,0,0]=3 62 B14R1.415 CC(Cl)C(C)NC(=O)C1=CC=CC=C1 R738840 [0,1,0,0,0,0|2,0,0]=3 63 B14R1.415 CN(C)C(=S)NC(=O)C1=CC=CC=C1 S195197 [0,1,0,0,0,0|2,0,1]=4 64 B14R1.415 C[C@H](Br)[C@H](C)OC(=O)C1=CC=CC=C1 T282758 [0,1,0,0,0,0|1,0,0]=2 65 B14R1.415 O=C(NC(O)C(Cl)Cl)C1=CC=CC=C1 S249548 [0,1,0,0,0,0|3,0,0]=4 66 B14R1.415 O=C(NC(O)C(Cl)Cl)C1=CC=CC=C1 S49353 [0,1,0,0,0,0|3,0,0]=4 67 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S346667 [0,1,0,0,0,0|2,0,0]=3 68 B14R1.417 CC(CN(C)C)C(=O)C1=CC=CC=C1 S365831 [0,1,0,0,0,0|2,0,0]=3 69 B14R1.678 CC(C)COC(=O)C1=CC=C(C=C1)N S520608 [0,1,0,0,0,0|0,0,0]=1 70 B14R1.678 CC1=CC=C(C=C1)C(=O)CCN(C)C S935220 [0,1,0,0,0,0|2,0,0]=3 71 B14R1.678 CC1=CC=C(C=C1)C(=O)NCC(C)C R591424 [0,1,0,0,0,0|1,0,0]=2 72 B14R1.3098 CC(C)(C)ONC(=O)C1=CC=CC=C1 S283754 [0,1,0,0,0,0|2,0,0]=3 73 B14R1.3098 CC(C)([NH3+])COC(=O)C1=CC=CC=C1 L498602 [0,1,0,0,0,0|0,0,0]=1 74 B14R2.403 CC1(COC(=N1)C2=CC=NC=C2)C PH008436 [0,0,0,1,0,0|2,0,0]=3 75 B14R2.403 CC1(COC(=N1)C2=CN=CC=C2)C PH000341 [0,0,0,1,0,0|2,0,0]=3 76 B12R1.54 CN(C)CCC(=O)C1=CC=CS1 L158135 [0,0,0,0,1,0|3,0,0]=4 77 B12R1.107 C/C(=C/C(C)C)/C1=CC=CC=C1 S674036 [0,0,0,0,1,0|1,0,1]=3 78 B12R1.107 C/C(=N/N(C)C)/C1=CC=CC=C1 S881090 [0,0,0,0,1,0|3,0,0]=4 79 B12R1.107 CC(C)CC(=O)C1=CC=CC=C1 S561150 [0,0,0,0,1,0|0,0,0]=1 80 B12R1.107 CC(C)CC(=O)C1=CC=CN=C1 CBR01334 [0,0,0,0,1,0|1,0,0]=2 81 B12R1.107 CC(C)OC(=O)C1=CC=CC=C1 CDS000576 [0,0,0,0,1,0|0,0,0]=1 82 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH011871 [0,0,0,0,1,0|2,0,1]=4 83 B12R1.107 CN(C)CC(Cl)C1=CC=CC=C1 PH018832 [0,0,0,0,1,0|2,0,1]=4 84 B12R1.107 CN(C)C[C@@H](N)C1=CC=CC=C1 PH018728 [0,0,0,0,1,0|2,0,1]=4 85 B14R1.420 O=C(O)CONC(=O)C1=CC=CC=C1 S388793 [0,0,0,0,0,1|2,0,1]=4 86 B14R1.423 C=C(C)COC(=O)NC1=CC=CC=C1 PH008778 [0,0,0,0,0,1|0,0,2]=3 87 B14R1.423 CC(=NOC(=O)NC1=CC=CC=C1)C S580309 [0,0,0,0,0,1|1,0,1]=3 88 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 S643807 [0,0,0,0,0,1|1,0,0]=2 89 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 S609374 [0,0,0,0,0,1|2,0,0]=3 90 B11R1.16 C=CCC(=O)C1=CC=CC=C1 T216402 [2,0,0,0,0,0|0,0,2]=4 91 B11R1.16 CCCC(C)C1=CC=CC=C1 S570958 [2,0,0,0,0,0|1,0,1]=4 92 B11R1.16 CCCC(N)C1=CC=CC=C1 CBR00785 [2,0,0,0,0,0|1,0,1]=4 93 B11R1.16 CCCS(=O)C1=CC=CC=C1 S799858 [2,0,0,0,0,0|1,0,0]=3 94 B11R1.16 CCNC(=O)C1=CC=CC=C1 S681059 [2,0,0,0,0,0|1,0,0]=3 95 B11R1.16 CCNC(=O)C1=CN=CC=C1 S435422 [2,0,0,0,0,0|2,0,0]=4 96 B11R1.16 CSCC(=O)C1=CC=CC=C1 S834017 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.16 O=C(NCO)C1=CC=CC=C1 S403466 [2,0,0,0,0,0|2,0,0]=4 98 B11R1.16 O=C(SCO)C1=CC=CC=C1 PH006830 [2,0,0,0,0,0|1,1,0]=4 99 B11R1.28 CCC/C=C/C1=CC=CC=C1 S579645 [2,0,0,0,0,0|1,0,0]=3 100 B11R1.28 CCCN=CC1=CC=CC=C1 S376639 [2,0,0,0,0,0|1,0,0]=3 101 B11R1.28 CCO/C=C/C1=CC=CC=C1 S722103 [2,0,0,0,0,0|2,0,0]=4 102 B11R1.28 OCC/N=C/C1=CC=CC=C1 PH007114 [2,0,0,0,0,0|2,0,0]=4 103 B13R1.11 CC(C#N)OC(=O)C1=CC=CC=C1 EME00155 [1,1,0,0,0,0|1,0,1]=4 104 B13R1.11 CC(CCl)NC(=O)C1=CC=CC=C1 R738484 [1,1,0,0,0,0|2,0,0]=4 105 B13R1.11 CC(CO)NC(=O)C1=CC=CC=C1 R788562 [1,1,0,0,0,0|2,0,0]=4 106 B13R1.11 CCC(C)NC(=O)C1=CC=CC=C1 R269182 [1,1,0,0,0,0|1,0,0]=3 107 B13R1.17 CC1=CC=C(C=C1)C(=O)CCCCl S344338 [1,1,0,0,0,0|2,0,0]=4 108 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)C S409480 [1,1,0,0,0,0|1,0,0]=3 109 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)Cl S344656 [1,1,0,0,0,0|1,0,0]=3 110 B13R1.17 CCCCC(=O)C1=CC=C(C=C1)F S349917 [1,1,0,0,0,0|1,0,0]=3 111 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)Cl R462950 [1,1,0,0,0,0|1,0,0]=3 112 B13R1.17 CCCNC(=O)C1=CC=C(C=C1)F VBP00078 [1,1,0,0,0,0|1,0,0]=3 113 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)Br PH011618 [1,1,0,0,0,0|2,0,0]=4 114 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)Cl S535583 [1,1,0,0,0,0|2,0,0]=4 115 B13R1.17 O=C(CCCCl)C1=CC=C(C=C1)O R751758 [1,1,0,0,0,0|2,0,0]=4 116 B13R1.17 O=C(OCCO)C1=CC=C(C=C1)O CDS000361 [1,1,0,0,0,0|1,0,0]=3 117 B13R1.18 CCCNC(=O)C1=CC(=CC=C1)O EME00429 [1,1,0,0,0,0|1,0,0]=3 118 B13R1.18 CCONC(=O)C1=CC(=CC=C1)I R452734 [1,1,0,0,0,0|2,0,0]=4 119 B13R1.18 O=C(NCCO)C1=CC(=CC=C1)O EME00382 [1,1,0,0,0,0|2,0,0]=4 120 B13R1.24 C=CCCOC(=O)C1=CC=CC=C1 T273716 [1,1,0,0,0,0|0,0,1]=3 121 B13R1.24 CCCCNC(=O)C1=CC=CC=C1 R128538 [1,1,0,0,0,0|1,0,0]=3 122 B13R1.24 CCCCOC(=O)C1=CC=CC=N1 S343129 [1,1,0,0,0,0|1,0,0]=3 123 B13R1.24 C[Se]CCNC(=O)C1=CC=CC=C1 S893110 [1,1,0,0,0,0|1,0,0]=3 124 B13R1.122 CCCCS(=O)(=O)C1=CC=CC=C1 S799262 [1,1,0,0,0,0|2,0,0]=4 125 B13R1.122 O=S(=O)(OCCBr)C1=CC=CC=C1 S832782 [1,1,0,0,0,0|2,0,0]=4 126 B13R1.674 CCC/N=C(/C)\C1=CC=CC=C1O S720593 [1,1,0,0,0,0|2,0,0]=4 127 B13R1.674 CCCNC(=O)C1=C(C=CC=C1)Cl R331872 [1,1,0,0,0,0|1,0,0]=3 128 B13R1.674 CCCNC(=O)C1=CC=CC=C1O S580775 [1,1,0,0,0,0|1,0,0]=3 129 B13R1.674 CCCNC(=O)C1=CC=CN=C1Cl T315435 [1,1,0,0,0,0|2,0,0]=4 130 B13R1.674 CCCNC(=S)C1=CC=CC=C1N PH007405 [1,1,0,0,0,0|1,1,0]=4 131 B13R1.351 CC(C)C(=O)/C=C/C1=CC=CC=C1 R252786 [1,1,0,0,0,0|1,0,1]=4 132 B13R1.513 CC1=CC=C(C=C1)SCCC(C)C S832855 [1,1,0,0,0,0|2,0,0]=4 133 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 T252972 [1,1,0,0,0,0|0,0,1]=3 134 B13R1.3523 C[Si](C)(C)C/C=C/C1=CC=CC=C1 T202789 [1,1,0,0,0,0|1,1,0]=4 135 B13R1.132 CC(=CC(=O)C1=CC=C(C=C1)C)C S313874 [0,1,0,0,1,0|0,0,2]=4 136 B13R1.132 CC(=O)CC(=O)C1=CC=C(C=C1)Cl JRD0754 [0,1,0,0,1,0|1,0,1]=4 137 B13R1.132 CC(C)NC(=O)C1=CC=C(C=C1)N CBR01240 [0,1,0,0,1,0|1,0,0]=3 138 B13R1.132 CC(O)CC(=O)C1=CC=C(C=C1)O S563862 [0,1,0,0,1,0|1,0,0]=3 139 B13R1.147 CC(C)NC(=O)C1=CC=CC(=C1)N CBR01392 [0,1,0,0,1,0|1,0,0]=3 140 B13R1.147 CN(C)NC(=O)C1=CC=CC(=C1)Cl PH007551 [0,1,0,0,1,0|2,0,0]=4 141 B13R1.201 CC(=O)CC(=O)C1=CC=CC=C1O CDS008776 [0,1,0,0,1,0|1,0,1]=4 142 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1Br S697680 [0,1,0,0,1,0|0,0,0]=2 143 B13R1.201 CC(C)OC(=O)C1=CC=CC=C1O CDS001274 [0,1,0,0,1,0|0,0,0]=2 144 B13R1.201 CN(C)CC(=O)C1=CC=CC=C1O T142050 [0,1,0,0,1,0|1,0,0]=3 145 B13R1.352 CC(C)(C)NC(=O)C1=CC=CC=C1 R468126 [0,1,0,0,1,0|1,0,0]=3 146 B13R1.352 CS(=O)(=O)CC(=O)C1=CC=CC=C1 S596868 [0,1,0,0,1,0|2,0,0]=4 147 B15R1.882 CN(C)CCOC(=O)C1=CC=C(C=C1)Cl PH012997 [0,1,0,0,0,1|1,0,0]=3 148 B15R1.959 C=C(CCl)CCOC(=O)C1=CC=CC=C1 T286737 [0,1,0,0,0,1|0,0,2]=4 149 B15R1.1076 CC(C)CC(C)NC(=O)C1=CC=CC=C1 R269158 [0,1,0,0,0,1|1,0,0]=3 150 B15R1.1078 CN(C)CCN(C)C(=O)C1=CC=CC=C1 PH007866 [0,1,0,0,0,1|2,0,0]=4 151 B15R1.8273 CN(C)CCNC(=O)C1=CC=CC(=C1)Cl PH007456 [0,1,0,0,0,1|2,0,0]=4 152 B15R1.9094 C[Si](C)(C)CCOC(=O)C1=CC=CC=C1 S332925 [0,1,0,0,0,1|0,1,0]=3 153 B15R1.111 CC(=NOC(=O)NC1=CC=C(C=C1)Br)C S596434 [0,1,0,0,0,1|1,0,1]=4 154 B15R1.111 CC(=NOC(=O)NC1=CC=C(C=C1)Cl)C S616044 [0,1,0,0,0,1|1,0,1]=4 155 B15R1.111 CC(=NOC(=O)NC1=CC=C(C=C1)F)C S609358 [0,1,0,0,0,1|1,0,1]=4 156 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)Br S664979 [0,1,0,0,0,1|1,0,0]=3 157 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)Cl S279706 [0,1,0,0,0,1|1,0,0]=3 158 B15R1.111 CC(C)CNC(=O)NC1=CC=C(C=C1)Cl S645184 [0,1,0,0,0,1|1,0,0]=3 159 B15R1.111 CC(C)SCC(=O)NC1=CC=C(C=C1)Br R169994 [0,1,0,0,0,1|2,0,0]=4 160 B15R1.111 CC1=CC=C(C=C1)NC(=O)NCC(C)C S653667 [0,1,0,0,0,1|1,0,0]=3 161 B15R1.111 CC1=CC=C(C=C1)NC(=O)ON=C(C)C S612987 [0,1,0,0,0,1|1,0,1]=4 162 B15R1.120 CC(=NOC(=O)NC1=CC(=CC=C1)Cl)C S595853 [0,1,0,0,0,1|1,0,1]=4 163 B15R1.120 CC(C)CNC(=O)NC1=CC=CC(=C1)Cl S654442 [0,1,0,0,0,1|1,0,0]=3 164 B15R1.120 CC(C)ONC(=O)NC1=CC(=CC=C1)I R452726 [0,1,0,0,0,1|2,0,0]=4 165 B15R1.120 CC1=CC=CC(=C1)NC(=O)NCC(C)C S653764 [0,1,0,0,0,1|1,0,0]=3 166 B15R1.120 CC1=CC=CC(=C1)NC(=O)ON=C(C)C S606383 [0,1,0,0,0,1|1,0,1]=4 167 B15R1.256 CC(=NOC(=O)NC1=C(C=CC=C1)C)C S607738 [0,1,0,0,0,1|1,0,1]=4 168 B15R1.256 CC(=NOC(=O)NC1=C(C=CC=C1)Cl)C S596442 [0,1,0,0,0,1|1,0,1]=4 169 B15R1.256 CC(C)CNC(=O)NC1=CC=CC=C1Cl S645079 [0,1,0,0,0,1|1,0,0]=3 170 B15R1.256 CC(C)ONC(=O)NC1=C(C=CC=C1)Cl R273694 [0,1,0,0,0,1|2,0,0]=4 171 B15R1.256 CC1=C(C=CC=C1)NC(=O)NCC(C)C S653624 [0,1,0,0,0,1|1,0,0]=3 172 B15R1.964 CC/C(=N/OC(=O)NC1=CC=CC=C1)/C L320099 [0,1,0,0,0,1|1,0,1]=4 173 B15R1.3675 CC(C)C(C)NC(=O)NC1=CC=CC=C1 R677213 [0,1,0,0,0,1|1,0,0]=3 174 B15R1.9108 CC(C)(C)COC(=O)NC1=CC=CC=C1 PH009254 [0,1,0,0,0,1|0,0,0]=2 175 B15R1.889 CC(C)NCC(=O)C1=CC=C(C(=C1)O)O S346322 [0,2,0,0,0,0|2,0,0]=4 176 B15R1.5450 CC(C)NCC(=O)C1=CC(=CC(=C1)O)O S879711 [0,2,0,0,0,0|2,0,0]=4 177 B15R1.8420 CC(C)CNC(=O)C1=C(C=CC(=C1)Cl)N PH000498 [0,2,0,0,0,0|1,0,0]=3 178 B15R1.5793 CC(C)C(C)NC(=O)C1=CC=CC=C1Cl L131466 [0,2,0,0,0,0|1,0,0]=3 179 B15R1.89 CN(CCO)CCC(=O)C1=CC=CC=C1 PH012114 [0,2,0,0,0,0|2,0,0]=4 180 B15R1.132 NC1=CC=C(C=C1)C(=O)OCC(O)CO PH011337 [0,2,0,0,0,0|1,0,0]=3 181 B15R1.5392 CC(NC(=O)C1=CC=CC=C1)C(C)(C)C PH009454 [0,2,0,0,0,0|1,0,0]=3 182 B15R1.5392 CC(OC(=O)C1=CC=CC=C1)C(F)(F)F S793760 [0,2,0,0,0,0|2,0,0]=4 183 B15R1.1357 CN(C)C/C(=N\O)/C(=O)C1=CC=CC=C1 S306460 [0,2,0,0,0,0|2,0,0]=4 184 B15R1.5 COC1=CC=C(C=C1)C(=O)CCN(C)C R416495 [0,2,0,0,0,0|2,0,0]=4 185 B13R1.90 CC(C)COC1=CC=CC=C1C=O CDS020892 [0,0,1,1,0,0|2,0,0]=4 186 B13R2.371 CN1CCC(=O)C2=CC=CC=C12 PH003691 [1,0,0,1,0,0|2,0,0]=4 187 B13R2.371 O=C1NCC(C2=CC=CC=C12)O PH004949 [1,0,0,1,0,0|2,0,0]=4 188 B13R2.5252 O=C1CCCSC2=C1C=CC=C2 S761877 [1,0,0,1,0,0|2,0,0]=4 189 B13R2.5252 O=C1NCCCC2=CC=CC=C12 CDS005171 [1,0,0,1,0,0|1,0,0]=3 190 B13R2.5252 O=C1NCCSC2=C1C=CC=C2 S682403 [1,0,0,1,0,0|2,0,0]=4 191 B13R2.8137 C=C(C1=CC=CC=C1)C2CCC2 T308064 [1,0,0,1,0,0|2,0,0]=4 192 B13R2.12159 CC1(CC(=O)C2=CC=CC=C12)C CDS012430 [0,0,0,1,1,0|0,0,0]=2 193 B15R2.59 CC(C)C1=NC(=NO1)C2=CC=CC=C2 PH007356 [0,0,0,1,0,1|1,0,1]=4 194 B15R2.59 CC(C)C1OCC(O1)C2=CC=CC=C2 S941212 [0,0,0,1,0,1|0,0,2]=4 195 B15R2.612 O=C1CC(C1)OC(=O)C2=CC=CC=C2 OMC00027 [0,0,0,1,0,1|1,0,1]=4 196 B15R2.53147 CC(C)OC1OC(=O)C2=C1C=CC=C2 S662623 [0,0,0,1,0,1|0,0,0]=2 197 B15R2.29 CC1CCC(=CC2=CC=CC=C2)CC1 S846139 [0,0,0,1,0,1|2,0,0]=4 198 B15R2.33 O=C1OCC(CN1C2=CC=CC=C2)O PH008113 [0,0,0,1,0,1|1,0,0]=3 199 B15R2.993 CC(C)CN1C(=NC2=C1C=CC=C2)N CBR00100 [0,0,0,1,0,1|2,0,0]=4 200 B15R2.993 CC1=[N+](C2=C(S1)C=CC=C2)CC(C)C R550167 [0,0,0,1,0,1|2,0,0]=4 201 B15R2.7532 CC1(CSC(=N1)NC2=CC=CC=C2)C L125326 [0,0,0,1,0,1|1,1,0]=4 202 B15R2.65026 CC1(COC(=N1)C2=CC=CC(=C2)F)C T278327 [0,1,0,1,0,0|1,0,0]=3 203 B15R2.6 CC(C)CNC1=C2C=CC=CC2=NS1 PH007433 [0,1,0,1,0,0|1,1,0]=4 204 B15R2.7474 CC1(COC(=N1)C2=CC=CC=C2Br)C T281492 [0,1,0,1,0,0|1,0,0]=3 205 B15R2.7474 CC1(COC(=N1)C2=CC=CC=C2F)C PH002747 [0,1,0,1,0,0|1,0,0]=3 206 B15R2.4128 CC1(COC(=N1)C2=CC=CC=C2)CO PH000417 [0,1,0,1,0,0|1,0,0]=3 207 B15R2.467 CC1(COC(CN1)C2=CC=CC=C2)C PH013596 [0,1,0,1,0,0|1,0,1]=4 208 B15R2.7944 CC1(CC1S(=O)(=O)C2=CC=CC=C2)C PH009245 [0,1,0,1,0,0|2,0,0]=4 209 B15R2.160873 CC(C)[C@H]1NS(=O)(=O)C2=CC=CC=C12 PH016467 [0,1,0,1,0,0|2,0,0]=4 210 B11R1.91 CC(C)CSC1=CC=CC=C1 T286885 [1,0,0,0,1,0|0,1,0]=3 211 B11R1.91 CC(C)N=CC1=CC=CC=C1 S376825 [1,0,0,0,1,0|1,0,0]=3 212 B11R1.91 CC(C)NCC1=CC=CC=C1 S633151 [1,0,0,0,1,0|1,0,1]=4 213 B11R1.91 CC(C)NCC1=CC=CC=C1 S696668 [1,0,0,0,1,0|1,0,1]=4 214 B11R1.91 CC(C)OCC1=CC=CC=C1 T332682 [1,0,0,0,1,0|0,0,1]=3 215 B11R1.91 CC(N)CCC1=CC=CC=C1 S363766 [1,0,0,0,1,0|1,0,1]=4 216 B11R1.91 CC(N)COC1=CC=CC=C1 PH011886 [1,0,0,0,1,0|1,0,0]=3 217 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 PH000523 [0,0,0,0,2,0|1,0,0]=3 218 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [0,0,0,0,2,0|1,0,1]=4 219 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 CDS015841 [0,0,0,0,2,0|1,0,1]=4 220 B11R1.36 CN(C)C(=O)C1=CN=CC=C1 CDS000360 [0,0,0,0,2,0|2,0,0]=4 221 B13R1.44 C#CCOC(=O)NC1=CC=CC=C1 S370479 [1,0,0,0,0,1|0,0,2]=4 222 B13R1.44 C=CCOC(=O)NC1=CC=CC=C1 PH008700 [1,0,0,0,0,1|0,0,2]=4 223 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [1,0,0,0,0,1|1,0,0]=3 224 B13R1.44 CCCNC(=S)NC1=CC=CC=C1 S615218 [1,0,0,0,0,1|1,1,0]=4 225 B13R1.44 CCCSC(=O)NC1=CC=CC=C1 S643947 [1,0,0,0,0,1|0,1,0]=3 226 B13R1.44 CCONC(=O)NC1=CC=CC=C1 R270830 [1,0,0,0,0,1|2,0,0]=4 227 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [1,0,0,0,0,1|2,0,0]=4 228 B13R1.44 O=C(CCCCl)OC1=CC=CC=C1 S354538 [1,0,0,0,0,1|2,0,0]=4 229 B13R1.44 O=C(NC1=CC=CC=C1)OCCBr S711675 [1,0,0,0,0,1|1,0,0]=3 230 B13R1.44 O=C(NC1=CC=CC=C1)OCCCl S594172 [1,0,0,0,0,1|1,0,0]=3 231 B13R1.44 O=C(NCCCl)NC1=CC=CC=C1 R594377 [1,0,0,0,0,1|2,0,0]=4 232 B13R1.44 O=C(NCCO)NC1=CC=CC=C1 S556297 [1,0,0,0,0,1|2,0,0]=4 233 B13R1.342 CC(C)CCOC(=O)C1=CC=CO1 CDS000538 [0,0,0,0,1,1|1,0,0]=3 234 B15R1.1081 CN(C)CCOC(=O)NC1=CC=CC=C1 S638358 [0,0,0,0,0,2|1,0,0]=3