0 B15R1.5919 CC(=O)CCC(=O)OCC1=CC=CC=C1 S643408 [0,0,0,0,0,0|1,0,0]=1 1 B15R1.5919 CC(=O)NNC(=S)NCC1=CC=CC=C1 S986682 [0,0,0,0,0,0|2,1,0]=3 2 B15R1.5919 NC(=O)CNC(=O)/C=C/C1=CC=CC=C1 R645486 [0,0,0,0,0,0|2,0,1]=3 3 B15R1.5919 NC(=O)CNC(=O)COC1=CC=CC=C1 R169781 [0,0,0,0,0,0|3,0,0]=3 4 B15R1.5919 NC(=O)CNC(=O)CSC1=NC=CC=C1 R407569 [0,0,0,0,0,0|4,0,0]=4 5 B15R1.5919 O=C(O)C=CC(=O)NCC1=CC=CC=C1 S393835 [0,0,0,0,0,0|3,0,1]=4 6 B15R1.5919 O=C(O)CCC(=O)/C=C/C1=CC=CC=C1 S656682 [0,0,0,0,0,0|3,0,1]=4 7 B15R1.5919 O=C(O)CCC(=O)NNC1=CC=CC=C1 S703486 [0,0,0,0,0,0|4,0,0]=4 8 B15R1.5919 O=C(O)CCC(=O)OCC1=CC=CC=C1 R533432 [0,0,0,0,0,0|2,0,0]=2 9 B15R1.5919 O=C(O)CNC(=O)/C=C/C1=CC=CC=C1 S658200 [0,0,0,0,0,0|2,0,1]=3 10 B15R1.5919 O=C(O)CNC(=O)CCC1=CC=CC=C1 PH011135 [0,0,0,0,0,0|2,0,0]=2 11 B15R1.5919 O=C(O)CNC(=O)COC1=CC=CC=C1 R169684 [0,0,0,0,0,0|3,0,0]=3 12 B15R1.5919 O=C(O)CNC(=O)CSC1=NC=CC=C1 R550035 [0,0,0,0,0,0|4,0,0]=4 13 B14R1.156 C=CCNC(=O)/C=C/C1=CC=CC=C1 PH001939 [1,0,0,0,0,0|1,0,2]=4 14 B14R1.156 CCCNC(=O)/C=C/C1=CC=CC=C1 PH006955 [1,0,0,0,0,0|1,0,2]=4 15 B14R1.156 CCCNC(=O)CCC1=NC=CC=C1 PH007774 [1,0,0,0,0,0|2,0,1]=4 16 B14R1.156 CCCNC(=O)COC1=CC=CC=C1 R329312 [1,0,0,0,0,0|2,0,1]=4 17 B14R1.156 CCSNC(=O)NCC1=CC=CC=C1 T110957 [1,0,0,0,0,0|2,0,1]=4 18 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 PH016091 [1,0,0,0,0,0|1,0,1]=3 19 B16R1.1061 O=C(O)CNC(=O)/C=C/C1=CC=C(C=C1)Cl R610445 [0,1,0,0,0,0|2,0,1]=4 20 B16R1.1061 O=C(O)CNC(=O)CSC1=CC=C(C=C1)Cl R549495 [0,1,0,0,0,0|3,0,0]=4 21 B16R1.1284 NC(CC1=CC=CC=C1)C(=O)NCC(=O)O S451908 [0,1,0,0,0,0|2,0,0]=3 22 B16R1.1284 N[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)O CDS021480 [0,1,0,0,0,0|2,0,0]=3 23 B16R1.1284 O=C(O)CNC(=O)C(Br)CC1=CC=CC=C1 S342696 [0,1,0,0,0,0|2,0,0]=3 24 B16R1.1343 COC(=O)CNC(=O)CSC1=CC=CC=C1 R549436 [0,1,0,0,0,0|2,0,0]=3 25 B16R1.1343 COC(=O)CNC(=O)CSC1=NC=CC=C1 R407550 [0,1,0,0,0,0|3,0,0]=4 26 B16R1.1343 NNC(=O)CNC(=O)COC1=CC=CC=C1 R169714 [0,1,0,0,0,0|3,0,0]=4 27 B16R1.1343 NNC(=O)CNC(=O)OCC1=CC=CC=C1 S765171 [0,1,0,0,0,0|1,0,0]=2 28 B16R1.4122 C=C(CC(=O)OCC1=CC=CC=C1)C(=O)O PH000558 [0,1,0,0,0,0|2,0,1]=4 29 B16R1.4122 CC(NC(=O)CCC1=CC=CC=C1)C(=O)O PH011130 [0,1,0,0,0,0|2,0,0]=3 30 B16R1.4122 CC(NC(=O)OCC1=CC=CC=C1)C(=O)N S787310 [0,1,0,0,0,0|1,0,0]=2 31 B16R1.6944 C=C(CC(C)C)C(=O)OCC1=CC=CC=C1 PH000801 [0,1,0,0,0,0|2,0,1]=4 32 B16R1.6944 [C@H](N)(CC(C)C)C(=O)OCC1=CC=CC=C1 S351903 [0,1,0,0,0,0|2,0,1]=4 33 B16R1.11227 O=C(O)CNC(=O)/C=C/C1=CC=CC(=C1)F T117730 [0,1,0,0,0,0|2,0,1]=4 34 B16R2.317 O=C1CNC(=O)[C@@H](N1)CC2=CC=CC=C2 CDS006717 [0,0,0,1,0,0|2,0,0]=3 35 B16R2.3322 O=C(OCC1=CC=CC=C1)C2CC(C2)O PHB00064 [0,0,0,1,0,0|1,0,2]=4 36 B14R1.423 C=C(C)COC(=O)NC1=CC=CC=C1 PH008778 [0,0,0,0,1,0|3,0,0]=4 37 B14R1.423 CC(=O)NNC(=O)CC1=CC=CC=C1 S669989 [0,0,0,0,1,0|1,0,0]=2 38 B14R1.423 CC(=O)NNC(=S)NC1=CC=CC=C1 S913472 [0,0,0,0,1,0|2,1,0]=4 39 B14R1.423 CC(=O)NNC(=S)NC1=CC=CC=C1 S985368 [0,0,0,0,1,0|2,1,0]=4 40 B14R1.423 CC(C)CNC(=O)NC1=CC=CC=C1 S643807 [0,0,0,0,1,0|2,0,1]=4 41 B14R1.423 CC(O)CNC(=O)NC1=CC=CC=C1 S609374 [0,0,0,0,1,0|1,0,2]=4 42 B14R1.423 O=C(CC1=CC=CC=C1)NC=C(Cl)Cl S196894 [0,0,0,0,1,0|2,0,1]=4 43 B14R1.423 O=C(O)CCC(=O)NC1=CC=CC=C1 S700983 [0,0,0,0,1,0|3,0,0]=4 44 B14R1.423 O=C(O)CCC(=O)OC1=CC=CC=C1 PH009559 [0,0,0,0,1,0|2,0,0]=3 45 B14R1.423 O=C(O)CCS(=O)CC1=CC=CC=C1 PH010240 [0,0,0,0,1,0|3,0,0]=4 46 B14R1.423 O=C(O)CNC(=S)NC1=CC=CC=C1 S409812 [0,0,0,0,1,0|2,1,0]=4 47 B14R1.818 CC(=CC(=O)OCC1=CC=CC=C1)C PH000990 [0,0,0,0,1,0|1,0,1]=3 48 B14R1.818 CC(=O)CC(=O)NCC1=CC=CC=C1 S357170 [0,0,0,0,1,0|1,0,0]=2 49 B14R1.818 CC(C)CC(=O)CCC1=CC=CC=C1 S411000 [0,0,0,0,1,0|2,0,1]=4 50 B14R1.818 CC(C)NC(=O)NCC1=CC=CC=C1 S698482 [0,0,0,0,1,0|2,0,1]=4 51 B14R1.818 NC(=O)NC(=O)/C=C/C1=CC=CC=C1 PH007348 [0,0,0,0,1,0|2,0,1]=4 52 B16R1.608 CC(=O)CCCC(=O)OCC1=CC=CC=C1 PH008485 [0,0,0,0,0,1|1,0,0]=2 53 B16R1.608 O=C(O)CCCC(=O)NCC1=CC=CC=C1 S730319 [0,0,0,0,0,1|3,0,0]=4 54 B16R1.608 O=C(O)CNNC(=O)COC1=CC=CC=C1 T151424 [0,0,0,0,0,1|3,0,0]=4 55 B16R1.18213 O=C(O)CCC(=O)NCCC1=CC=CC=C1 S782475 [0,0,0,0,0,1|3,0,0]=4 56 B13R1.42 CC=CC(=O)NCC1=CC=CC=C1 S527947 [2,0,0,0,0,0|1,0,1]=4 57 B13R1.42 CCCC(=O)NCC1=CC=CC=C1 R343269 [2,0,0,0,0,0|1,0,1]=4 58 B13R1.42 CCNC(=O)NNC1=CC=CC=C1 PH007136 [2,0,0,0,0,0|2,0,0]=4 59 B13R1.42 CCOC(=O)NCC1=CC=CC=C1 PH011548 [2,0,0,0,0,0|2,0,0]=4 60 B15R1.78 CCCCNC(=O)OCC1=CC=CC=C1 S898015 [1,1,0,0,0,0|0,0,1]=3 61 B15R1.115 CCCNC(=O)CC(C)C1=CC=CC=C1 R348759 [1,1,0,0,0,0|1,0,1]=4 62 B15R1.139 CCCNC(=O)CCC1=CC=C(C=C1)O T159727 [1,1,0,0,0,0|1,0,1]=4 63 B15R1.826 CCCC(N)C(=O)OCC1=CC=CC=C1 S783625 [1,1,0,0,0,0|1,0,1]=4 64 B15R1.111 NC(=O)CNC(=O)NC1=CC=C(C=C1)Cl R714801 [0,1,0,0,1,0|2,0,0]=4 65 B15R1.120 CC(=O)NNC(=O)NC1=CC=CC(=C1)Cl S685283 [0,1,0,0,1,0|2,0,0]=4 66 B15R1.256 CC1=C(C=CC=C1)OC(=O)CCC(=O)O R367060 [0,1,0,0,1,0|2,0,0]=4 67 B15R1.964 CNC(=S)NNC(=O)CC1=CC=CC=C1 S986992 [0,1,0,0,1,0|1,1,0]=4 68 B15R1.964 COC(=O)CCC(=O)NC1=CC=CC=C1 S502111 [0,1,0,0,1,0|2,0,0]=4 69 B15R1.964 COC(=O)CNC(=O)CC1=CC=CC=C1 PH010395 [0,1,0,0,1,0|0,0,0]=2 70 B15R1.964 COC(=O)NNC(=O)NC1=CC=CC=C1 R416355 [0,1,0,0,1,0|2,0,0]=4 71 B15R1.1078 N[C@H](C(=O)NCC(=O)O)C1=CC=CC=C1 CDS022369 [0,1,0,0,1,0|1,0,0]=3 72 B15R1.3675 CC(NC(=O)CC1=CC=CC=C1)C(=O)O PH010064 [0,1,0,0,1,0|1,0,0]=3 73 B15R1.3675 CC(NC(=O)NC1=CC=CC=C1)C(=O)O L159565 [0,1,0,0,1,0|2,0,0]=4 74 B15R1.870 CC(=O)CC(=O)NCC1=CC=C(C=C1)F PH014699 [0,1,0,0,1,0|1,0,0]=3 75 B15R1.1076 CC(=O)CC(=O)OC(C)C1=CC=CC=C1 S591718 [0,1,0,0,1,0|0,0,0]=2 76 B15R1.3465 C[N+](C)(C)CC(=O)OCC1=CC=CC=C1 R240702 [0,1,0,0,1,0|2,0,0]=4 77 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 S783250 [0,1,0,0,1,0|1,0,1]=4 78 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 S783919 [0,1,0,0,1,0|1,0,1]=4 79 B15R1.8263 CC(=O)CC(=O)NCC1=CC=CC(=N1)C S390828 [0,1,0,0,1,0|2,0,0]=4 80 B17R1.5010 NC(CCC(=O)O)C(=O)OCC1=CC=CC=C1 PH008976 [0,1,0,0,0,1|2,0,0]=4 81 B17R1.16633 C(N)(CSC(=O)OCC1=CC=CC=C1)C(=O)O S790265 [0,1,0,0,0,1|2,0,0]=4 82 B17R1.16633 NC(CCC(=O)OCC1=CC=CC=C1)C(=O)O R397938 [0,1,0,0,0,1|2,0,0]=4 83 B17R1.16633 NC(CCC(=O)OCC1=CC=CC=C1)C(=O)O S787345 [0,1,0,0,0,1|2,0,0]=4 84 B17R1.1403 COC(=O)CNC(=O)/C=C/C1=CC=CC(=C1)F T117714 [0,2,0,0,0,0|1,0,1]=4 85 B17R1.8357 COC(=O)C(C)NC(=O)OCC1=CC=CC=C1 S789291 [0,2,0,0,0,0|0,0,0]=2 86 B17R1.8357 COC(=O)[C@@H](C)NC(=O)OCC1=CC=CC=C1 S784435 [0,2,0,0,0,0|0,0,0]=2 87 B17R1.18527 CCOC(=O)CNC(=O)CCC1=CC=CC=C1 PH010194 [0,2,0,0,0,0|1,0,0]=3 88 B17R1.18527 CCOC(=O)CNC(=O)COC1=CC=CC=C1 S337501 [0,2,0,0,0,0|2,0,0]=4 89 B17R1.18527 CCOC(=O)CNC(=O)CSC1=CC=CC=C1 R537756 [0,2,0,0,0,0|2,0,0]=4 90 B17R1.18527 CCOC(=O)CNC(=O)NCC1=CC=CC=C1 PH010188 [0,2,0,0,0,0|1,0,0]=3 91 B17R1.19899 CC[C@@H](NC(=O)OCC1=CC=CC=C1)C(=O)O S782831 [0,2,0,0,0,0|1,0,0]=3 92 B17R1.19899 CC[C@@H](NC(=O)OCC1=CC=CC=C1)C(=O)O S789283 [0,2,0,0,0,0|1,0,0]=3 93 B17R1.19899 NC(=O)C(CO)NC(=O)OCC1=CC=CC=C1 S785768 [0,2,0,0,0,0|1,0,0]=3 94 B15R2.16 CCC1NC(=O)CC1C2=CC=CC=C2 PH007941 [1,0,0,1,0,0|1,0,1]=4 95 B15R2.355 O=C1CCC(=O)N1CC2=CC=CC=C2 R434558 [1,0,0,1,0,0|2,0,0]=4 96 B15R2.355 O=C1CNC(=O)N1CC2=CC=CC=C2 PH007831 [1,0,0,1,0,0|1,0,0]=3 97 B15R2.355 O=C1CSC(=O)N1CC2=CC=CC=C2 R365521 [1,0,0,1,0,0|2,0,0]=4 98 B15R2.993 NC(=O)CN1C(=O)SC2=C1C=CC=C2 R241245 [0,0,0,1,1,0|1,1,0]=4 99 B15R2.993 O=C(O)CN1C(=O)SC2=C1C=CC=C2 R245364 [0,0,0,1,1,0|1,1,0]=4 100 B15R2.325 CC1=NN(C(=O)C1)CC2=CC=CC=C2 R365939 [0,0,0,1,1,0|2,0,0]=4 101 B15R2.325 O=C1NC(=O)C(N1)CC2=CC=CC=C2 CDS004756 [0,0,0,1,1,0|2,0,0]=4 102 B17R2.3231 O=C(OCC1=CC=CC=C1)[C@@H]2C[C@H](CN2)O PH008002 [0,0,0,1,0,1|0,0,2]=4 103 B17R2.3231 O=C1CCC(N1)C(=O)OCC2=CC=CC=C2 PH003301 [0,0,0,1,0,1|2,0,0]=4 104 B17R2.3479 CC(=O)C1=CNC(=O)NC1C2=CC=CC=C2 T315966 [0,0,0,1,0,1|1,0,1]=4 105 B17R2.10098 O=C(O)CNC(=O)C1CC1C2=CC=CC=C2 R129534 [0,0,0,1,0,1|2,0,0]=4 106 B17R2.20002 O=C(O)CN1C(=O)CCOC2=CC=CC=C12 T314234 [0,0,0,1,0,1|2,0,0]=4 107 B17R2.350730 COC(=O)CN1C(=O)COC2=CC=CC=C12 T312479 [0,1,0,1,0,0|2,0,0]=4 108 B17R2.20678 NC1=CC=C2C(=C1)CCC(=O)N2CC(=O)O PH014219 [0,1,0,1,0,0|2,0,0]=4 109 B13R1.44 C=CCNC(=O)NC1=CC=CC=C1 S591424 [1,0,0,0,1,0|1,0,1]=4 110 B13R1.44 CCCNC(=O)NC1=CC=CC=C1 S591378 [1,0,0,0,1,0|1,0,1]=4 111 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [1,0,0,0,1,0|0,0,2]=4 112 B13R1.337 O=C(O)CCOCC1=CC=CC=C1 ANV00333 [1,0,0,0,1,0|1,0,1]=4 113 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 PH010963 [0,0,0,0,2,0|1,0,0]=3 114 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=C1 S669970 [0,0,0,0,2,0|1,0,0]=3 115 B13R1.45 CC(=O)NNC(=O)C1=CC=CC=N1 R160326 [0,0,0,0,2,0|2,0,0]=4 116 B13R1.45 CC(=O)NNC(=O)C1=CC=NC=C1 PH007103 [0,0,0,0,2,0|2,0,0]=4 117 B13R1.45 CC(=O)OCC(=O)C1=CC=CC=C1 T291145 [0,0,0,0,2,0|2,0,0]=4 118 B13R1.45 CC(C)CNC(=O)C1=CC=CC=C1 R531251 [0,0,0,0,2,0|1,0,1]=4 119 B13R1.45 CN(C)CNC(=O)C1=CC=CC=C1 PH008934 [0,0,0,0,2,0|2,0,0]=4 120 B13R1.45 NC(=O)CNC(=O)C1=CC=CC=C1 R549444 [0,0,0,0,2,0|1,0,0]=3 121 B13R1.45 NC(=S)CNC(=O)C1=CC=CC=C1 PH010689 [0,0,0,0,2,0|1,1,0]=4 122 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 S39102 [0,0,0,0,2,0|2,0,0]=4 123 B13R1.348 CC(=O)CC(=O)NC1=CC=CC=N1 S457027 [0,0,0,0,2,0|2,0,0]=4 124 B13R1.348 CC(=O)CC(=O)NC1=CN=CC=C1 PH011226 [0,0,0,0,2,0|2,0,0]=4 125 B13R1.348 CC(=O)NC(=CC1=CC=CC=C1)Cl S286737 [0,0,0,0,2,0|1,0,1]=4 126 B13R1.348 CC(=O)NC(=O)NC1=CC=CC=C1 S340561 [0,0,0,0,2,0|1,0,0]=3 127 B13R1.348 CC(=O)NC(=S)NC1=CC=CC=C1 S785733 [0,0,0,0,2,0|1,1,0]=4 128 B13R1.348 NC(=O)NC(=O)CC1=CC=CC=C1 T332364 [0,0,0,0,2,0|1,0,0]=3 129 B13R1.348 NC(=O)NC(=O)NC1=CC=CC=C1 S862673 [0,0,0,0,2,0|2,0,0]=4 130 B13R1.351 C=C(C)C(=O)NCC1=CC=CC=C1 S529591 [0,0,0,0,2,0|2,0,0]=4 131 B13R1.351 CC(=O)C(=O)OCC1=CC=CC=C1 PH009541 [0,0,0,0,2,0|0,0,0]=2 132 B13R1.351 CC(Br)C(=O)OCC1=CC=CC=C1 PH008809 [0,0,0,0,2,0|1,0,1]=4 133 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S240338 [0,0,0,0,2,0|0,0,2]=4 134 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 S949906 [0,0,0,0,2,0|0,0,2]=4 135 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 CDS007841 [0,0,0,0,2,0|2,0,0]=4 136 B17R1.1324 O=C(O)CCCNC(=O)OCC1=CC=CC=C1 S172790 [0,0,0,0,0,2|1,0,0]=3