0 B17R2.4252 CC1=CC2=C(C=C1)N=C(N2CCO)C(=O)O MCULE-1254387542 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.4252 CC1=CC=C2NC(=C(C2=C1)CCN)C(=O)O MCULE-2327818077 [0,0,0,0,0,0|1,0,0]=1 2 B17R2.4252 NCCC1=C(NC2=CC=C(C=C12)Br)C(=O)O MCULE-8754573793 [0,0,0,0,0,0|0,0,0]=0 3 B17R2.4252 NCCC1=C(NC2=CC=C(C=C12)Cl)C(=O)O MCULE-7123308083 [0,0,0,0,0,0|0,1,0]=1 4 B17R2.4252 O=C(O)C1=C(C2=C(N1)C=CC(=C2)Br)CCO MCULE-1609804938 [0,0,0,0,0,0|1,0,0]=1 5 B16R2.3529 CCCC1=C(SC2=CC=CC=C12)C(=O)Cl MCULE-3017376758 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.3529 CCCC1=C(SC2=CC=CC=C12)C(=O)O MCULE-9300553101 [1,0,0,0,0,0|2,0,0]=3 7 B16R2.3529 CCCN1C(=CC2=C1C=CC=C2)C(=O)O MCULE-4749336918 [1,0,0,0,0,0|3,0,0]=4 8 B16R2.3529 CCOC1=C(OC2=CC=CC=C12)C(=O)O MCULE-3172039951 [1,0,0,0,0,0|3,0,0]=4 9 B16R2.3529 COCC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-3576214832 [1,0,0,0,0,0|3,0,0]=4 10 B16R2.3529 COCC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-4294327610 [1,0,0,0,0,0|3,0,0]=4 11 B16R2.3529 CSCC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-2286516921 [1,0,0,0,0,0|3,0,0]=4 12 B16R2.3529 CSCC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-8549435411 [1,0,0,0,0,0|3,0,0]=4 13 B16R2.3529 NCCC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-3796310055 [1,0,0,0,0,0|0,0,0]=1 14 B16R2.3529 NCCC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-6199497253 [1,0,0,0,0,0|0,0,0]=1 15 B16R2.11036 CC1=CC=C2NC(=C(C2=C1)C=O)C(=O)O MCULE-7808889147 [1,0,0,0,0,0|2,0,1]=4 16 B16R2.11036 CCC1=C(NC2=C1C=C(C=C2)Br)C(=O)O MCULE-4596666464 [1,0,0,0,0,0|0,0,0]=1 17 B16R2.11036 CCC1=C(NC2=C1C=C(C=C2)C)C(=O)O MCULE-5420640612 [1,0,0,0,0,0|1,0,0]=2 18 B16R2.11036 CCC1=C(NC2=C1C=C(C=C2)F)C(=O)O MCULE-5237873651 [1,0,0,0,0,0|0,1,0]=2 19 B16R2.11036 CCC1=C(OC2=C1C=C(C=C2)Br)C(=O)O MCULE-1859618430 [1,0,0,0,0,0|1,0,0]=2 20 B16R2.11036 CCC1=C(OC2=C1C=C(C=C2)C)C(=O)C MCULE-1325576502 [1,0,0,0,0,0|3,0,0]=4 21 B16R2.11036 CCC1=C(OC2=C1C=C(C=C2)Cl)C(=O)O MCULE-8085528716 [1,0,0,0,0,0|1,1,0]=3 22 B16R2.11036 CCN1C(=CC2=CC=C(C=C12)Br)C(=O)O MCULE-6954564588 [1,0,0,0,0,0|2,0,0]=3 23 B16R2.11036 CCN1C(=CC2=CC=C(C=C12)C)C(=O)O MCULE-9639832573 [1,0,0,0,0,0|3,0,0]=4 24 B16R2.11036 CCN1C(=CC2=CC=C(C=C12)F)C(=O)O MCULE-6192881548 [1,0,0,0,0,0|2,1,0]=4 25 B16R2.11036 COC1=C(OC2=CC=C(C=C12)C)C(=O)O MCULE-4899384157 [1,0,0,0,0,0|3,0,0]=4 26 B16R2.11036 O=CC1=C(NC2=CC=C(C=C12)Br)C(=O)O MCULE-9032384157 [1,0,0,0,0,0|1,0,1]=3 27 B16R2.11036 O=CC1=C(NC2=CC=C(C=C12)Cl)C(=O)O MCULE-2624971426 [1,0,0,0,0,0|1,1,1]=4 28 B16R2.11036 O=CC1=C(NC2=CC=C(C=C12)F)C(=O)O MCULE-1097060392 [1,0,0,0,0,0|1,1,1]=4 29 B18R2.31496 CC(=O)NC1=C(NC2=C1C=C(C=C2)Br)C(=O)O MCULE-2368645803 [0,1,0,0,0,0|2,0,1]=4 30 B18R2.31496 O=C(O)CC1=C(NC2=CC=C(C=C12)Br)C(=O)O MCULE-1433860654 [0,1,0,0,0,0|1,0,1]=3 31 B18R2.31496 O=C(O)CC1=C(NC2=CC=C(C=C12)Cl)C(=O)O MCULE-9011709125 [0,1,0,0,0,0|1,1,1]=4 32 B18R2.45714 COC1=CC=C2NC(=C(C2=C1)CCN)C(=O)O MCULE-1194939436 [0,1,0,0,0,0|1,0,0]=2 33 B18R2.45714 COC1=CC=C2NC(=C(C2=C1)CCN)C(=O)O MCULE-1533597590 [0,1,0,0,0,0|1,0,0]=2 34 B18R2.45715 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)CCO MCULE-1111983835 [0,1,0,0,0,0|1,0,0]=2 35 B18R2.394838 CC1=CC2=C(NC(=C2CCN)C(=O)O)C(=C1)C MCULE-6667832726 [0,1,0,0,0,0|1,0,0]=2 36 B18R2.394838 NCCC1=C(NC2=C(C=C(C=C12)Cl)Cl)C(=O)O MCULE-1223303744 [0,1,0,0,0,0|0,1,0]=2 37 B18R2.394838 NCCC1=C(NC2=C(C=C(C=C12)Cl)Cl)C(=O)O MCULE-4699821702 [0,1,0,0,0,0|0,1,0]=2 38 B18R3.570445 O=C1CCCCC2=C1NC3=C2C=C(C=C3)Br MCULE-1914420505 [0,0,0,1,0,0|2,0,0]=3 39 B18R3.570445 O=C1CCCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-3039352156 [0,0,0,1,0,0|2,1,0]=4 40 B15R1.7681 CCOC1=CC(=CC=C1/C=C/C(=O)O)Br MCULE-5130065591 [1,0,1,0,0,0|2,0,0]=4 41 B15R2.4190 CCC1=C(NC2=CC=CC=C12)C(=O)O MCULE-3891106706 [2,0,0,0,0,0|0,0,0]=2 42 B15R2.4190 CCC1=C(OC2=C1C=CC=C2)C(=O)C MCULE-5158019457 [2,0,0,0,0,0|2,0,0]=4 43 B15R2.4190 CCC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-3914658656 [2,0,0,0,0,0|1,0,0]=3 44 B15R2.4190 CCC1=C(SC2=C1C=CC=C2)C(=O)O MCULE-2304338578 [2,0,0,0,0,0|1,0,0]=3 45 B15R2.4190 CCN1C(=CC2=C1C=CC=C2)C(=O)O MCULE-1938740161 [2,0,0,0,0,0|2,0,0]=4 46 B15R2.4190 CCN1C(=NC2=C1C=CC=C2)C(=O)O MCULE-4994927169 [2,0,0,0,0,0|1,0,1]=4 47 B15R2.4190 COC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-1477450964 [2,0,0,0,0,0|1,0,0]=3 48 B15R2.4190 COC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-7492610808 [2,0,0,0,0,0|2,0,0]=4 49 B15R2.4190 N#CC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-4097333313 [2,0,0,0,0,0|0,0,2]=4 50 B15R2.4190 NCC1=C(OC2=C1C=CC=C2)C(=O)N MCULE-8757195632 [2,0,0,0,0,0|2,0,0]=4 51 B15R2.4190 O=C(O)C1=C(C2=C(O1)C=CC=C2)CBr MCULE-6423952932 [2,0,0,0,0,0|2,0,0]=4 52 B15R2.4190 O=C(O)C1=C(C2=C(O1)C=CC=C2)CO MCULE-3595021779 [2,0,0,0,0,0|2,0,0]=4 53 B15R2.4190 O=CC1=C(NC2=CC=CC=C12)C(=O)O MCULE-6870311746 [2,0,0,0,0,0|1,0,1]=4 54 B15R2.1759 CCC1=C(NC2=CC=C(C=C12)C)C=O MCULE-5729777310 [2,0,0,0,0,0|1,0,0]=3 55 B15R2.7203 CC1=C(NC2=C1C=C(C=C2)Br)C(=O)O MCULE-7147052097 [2,0,0,0,0,0|0,0,0]=2 56 B15R2.7203 CC1=C(NC2=C1C=C(C=C2)Cl)C(=O)O MCULE-1538568950 [2,0,0,0,0,0|0,1,0]=3 57 B15R2.7203 CC1=C(NC2=C1C=C(C=C2)F)C(=O)O MCULE-3908869681 [2,0,0,0,0,0|0,1,0]=3 58 B15R2.7203 CC1=C(OC2=C1C=C(C=C2)Br)C(=O)O MCULE-9975104092 [2,0,0,0,0,0|1,0,0]=3 59 B15R2.7203 CC1=C(OC2=C1C=C(C=C2)I)C(=O)O MCULE-7475818174 [2,0,0,0,0,0|1,1,0]=4 60 B15R2.7203 CC1=C(OC2=CC=C(C=C12)Cl)C(=O)O MCULE-5792048733 [2,0,0,0,0,0|1,1,0]=4 61 B15R2.7203 CC1=C(OC2=CC=C(C=C12)F)C(=O)O MCULE-8309573058 [2,0,0,0,0,0|1,1,0]=4 62 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)Br)C(=O)O MCULE-5606706643 [2,0,0,0,0,0|1,0,0]=3 63 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)Cl)C(=O)O MCULE-4232018875 [2,0,0,0,0,0|1,1,0]=4 64 B15R2.7203 CC1=C(SC2=C1C=C(C=C2)F)C(=O)O MCULE-4641764763 [2,0,0,0,0,0|1,1,0]=4 65 B15R2.7203 CC1=CC2=C(C=C1)NC(=C2Cl)C(=O)O MCULE-9778912951 [2,0,0,0,0,0|2,0,0]=4 66 B15R2.7203 CC1=CC2=C(C=C1)SC(=C2C)C(=O)O MCULE-7926967617 [2,0,0,0,0,0|2,0,0]=4 67 B15R2.7203 CC1=CC=C2NC(=C(C2=C1)C)C(=O)O MCULE-6658792134 [2,0,0,0,0,0|1,0,0]=3 68 B15R2.7203 CC1=CC=C2OC(=C(C2=C1)C)C(=O)O MCULE-3384122205 [2,0,0,0,0,0|2,0,0]=4 69 B15R2.7203 CN1C(=CC2=CC=C(C=C12)Br)C(=O)O MCULE-1791840195 [2,0,0,0,0,0|2,0,0]=4 70 B15R2.7203 NC(=O)C1=C(C2=CC(=CC=C2O1)Br)N MCULE-6093206970 [2,0,0,0,0,0|2,0,0]=4 71 B15R2.7203 NC1=C(OC2=CC=C(C=C12)Cl)C(=O)O MCULE-3307931026 [2,0,0,0,0,0|1,1,0]=4 72 B15R2.7203 NC1=C(SC2=CC=C(C=C12)F)C(=O)O MCULE-8908395807 [2,0,0,0,0,0|1,1,0]=4 73 B15R2.7203 O=C(O)C1=C(C2=C(N1)C=CC(=C2)Br)Br MCULE-8731825759 [2,0,0,0,0,0|1,0,0]=3 74 B15R2.7203 O=C(O)C1=C(C2=C(N1)C=CC(=C2)Br)Cl MCULE-1581748571 [2,0,0,0,0,0|1,0,0]=3 75 B15R2.7203 O=C(O)C1=C(C2=C(N1)C=CC(=C2)F)Cl MCULE-5708372654 [2,0,0,0,0,0|1,1,0]=4 76 B15R2.7203 O=C(O)C1=C(C2=CC(=CC=C2N1)Cl)Br MCULE-5421337703 [2,0,0,0,0,0|1,1,0]=4 77 B15R2.7203 O=C(O)C1=C(C2=CC(=CC=C2N1)Cl)Cl MCULE-4204105572 [2,0,0,0,0,0|1,1,0]=4 78 B15R2.7203 O=C(O)C1=C(C2=CC(=CC=C2N1)F)Br MCULE-6884874433 [2,0,0,0,0,0|1,1,0]=4 79 B15R2.56717 CC1=C(C2=C(N1)C=CC(=C2)Br)CCN MCULE-4140585219 [2,0,0,0,0,0|0,0,1]=3 80 B15R2.56717 CC1=C(C2=C(N1)C=CC(=C2)Br)CCN MCULE-5191387381 [2,0,0,0,0,0|0,0,1]=3 81 B15R2.56717 CC1=C(C2=C(N1)C=CC(=C2)Br)CCN MCULE-8641134779 [2,0,0,0,0,0|0,0,1]=3 82 B15R2.56717 CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN MCULE-2051495644 [2,0,0,0,0,0|0,1,1]=4 83 B15R2.56717 CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN MCULE-9388619717 [2,0,0,0,0,0|0,1,1]=4 84 B15R2.56717 CC1=C(C2=C(N1)C=CC(=C2)I)CCN MCULE-3682761008 [2,0,0,0,0,0|0,1,1]=4 85 B15R2.56717 CC1=C(C2=CC(=CC=C2N1)F)CCN MCULE-3329092347 [2,0,0,0,0,0|0,1,1]=4 86 B15R2.56717 CC1=C(C2=CC(=CC=C2N1)F)CCN MCULE-8424688922 [2,0,0,0,0,0|0,1,1]=4 87 B15R2.56717 CC1=C(C2=CC(=CC=C2N1)F)CCN MCULE-8612943258 [2,0,0,0,0,0|0,1,1]=4 88 B15R2.56717 CC1=C(C2=CC(=CC=C2N1)I)CCN MCULE-2088264755 [2,0,0,0,0,0|0,1,1]=4 89 B15R2.56717 CC1=C(C2=CC(=CC=C2N1)O)CCN MCULE-5329313088 [2,0,0,0,0,0|1,0,1]=4 90 B15R2.56717 CC1=C(C2=CC(=CC=C2N1)O)CCN MCULE-9708660367 [2,0,0,0,0,0|1,0,1]=4 91 B15R2.56717 CC1=C(C2=CC(=CC=C2N1)O)CCN MCULE-9865437359 [2,0,0,0,0,0|1,0,1]=4 92 B15R2.56717 CC1=CC2=C(C=C1)NC(=C2CCN)C MCULE-3374177825 [2,0,0,0,0,0|1,0,1]=4 93 B15R2.56717 CC1=CC2=C(C=C1)NC(=O)C2CCN MCULE-9633362018 [2,0,0,0,0,0|1,0,1]=4 94 B15R2.56717 CC1=CC=C2NC(=C(C2=C1)CCN)C MCULE-1220780884 [2,0,0,0,0,0|1,0,1]=4 95 B15R2.56717 CC1=CC=C2NC(=C(C2=C1)CCN)C MCULE-7440913280 [2,0,0,0,0,0|1,0,1]=4 96 B15R2.56717 NCCC1C(=O)NC2=C1C=C(C=C2)Cl MCULE-1319547698 [2,0,0,0,0,0|0,1,1]=4 97 B15R2.56717 NCCC1C(=O)NC2=C1C=C(C=C2)F MCULE-9602072964 [2,0,0,0,0,0|0,1,1]=4 98 B15R2.56717 NCCC1C(=O)NC2=CC=C(C=C12)Cl MCULE-8949239474 [2,0,0,0,0,0|0,1,1]=4 99 B15R2.56717 NCCC1C(=O)NC2=CC=C(C=C12)F MCULE-7700424372 [2,0,0,0,0,0|0,1,1]=4 100 B17R1.18956 CCCC(=CC(=O)O)C1=C(C=CC(=C1)Br)OC MCULE-9012004985 [0,1,1,0,0,0|2,0,0]=4 101 B17R2.6436 CCOCC1=C(OC2=C1C=CC=C2)C(=O)O MCULE-5426806899 [1,1,0,0,0,0|2,0,0]=4 102 B17R2.45503 NC(=O)CC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-9645227207 [1,1,0,0,0,0|0,0,1]=3 103 B17R2.45503 O=C(O)CC1=C(NC2=C1C=CC=C2)C(=O)O MCULE-7221538157 [1,1,0,0,0,0|1,0,1]=4 104 B17R2.139295 COC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)C=O MCULE-9056801753 [1,1,0,0,0,0|1,0,1]=4 105 B17R2.139318 CN1C2=C(C=C(C=C2)Br)C(=C1C(=O)O)C=O MCULE-5231624567 [1,1,0,0,0,0|1,0,1]=4 106 B17R2.484550 CCC1=C(OC2=CC(=C(C=C12)C)C)C(=O)O MCULE-7975803422 [1,1,0,0,0,0|2,0,0]=4 107 B19R2.6076 CC(=O)C1=CC2=C(C=C1)NC(=C2CCN)C(=O)O MCULE-7506304424 [0,2,0,0,0,0|1,0,0]=3 108 B19R2.71411 COC1=CC2=C(C=C1)N(C(=C2CCN)C(=O)O)C MCULE-3899606433 [0,2,0,0,0,0|1,0,0]=3 109 B19R2.71411 COC1=CC2=C(C=C1)N(C(=C2CCN)C(=O)O)C MCULE-5063819419 [0,2,0,0,0,0|1,0,0]=3 110 B19R2.1062779 CCOC1=CC2=C(C=C1)NC(=C2CCN)C(=O)O MCULE-9779677035 [0,2,0,0,0,0|1,0,0]=3 111 B17R3.5121 O=C1CCCCC2=C1NC3=C2C=CC=C3 MCULE-3631162458 [1,0,0,1,0,0|2,0,0]=4 112 B17R3.5121 O=C1NCCCC2=C1NC3=CC=CC=C23 MCULE-6294785752 [1,0,0,1,0,0|2,0,0]=4 113 B17R3.34483 CC1CC(=O)C2=C(C1)C3=CC=CC=C3N2 MCULE-5802352673 [1,0,0,1,0,0|2,0,0]=4 114 B17R3.34483 CC1CC2=C(NC3=C2C=CC=C3)C(=O)N1 MCULE-7286588149 [1,0,0,1,0,0|2,0,0]=4 115 B17R3.34483 O=C1CC2=C(NC3=CC=CC=C23)C(=O)O1 MCULE-5510062434 [1,0,0,1,0,0|1,0,1]=4 116 B17R3.284867 CC1=CC=C2NC3=C(C2=C1)CCCC3=O MCULE-6788319029 [1,0,0,1,0,0|2,0,0]=4 117 B17R3.284867 CC1=CC=C2NC3=C(C2=C1)CCNC3=O MCULE-2557569732 [1,0,0,1,0,0|2,0,0]=4 118 B17R3.284867 NC1=CC=C2NC3=C(C2=C1)CCCC3=O MCULE-6876600633 [1,0,0,1,0,0|2,0,0]=4 119 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-4813662071 [1,0,0,1,0,0|1,0,0]=3 120 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-3890355112 [1,0,0,1,0,0|1,1,0]=4 121 B17R3.284867 O=C1CCCC2=C1NC3=C2C=C(C=C3)F MCULE-5148930600 [1,0,0,1,0,0|1,1,0]=4 122 B17R3.284867 O=C1NCCC2=C1NC3=C2C=C(C=C3)Br MCULE-2546477426 [1,0,0,1,0,0|1,0,0]=3 123 B17R3.284867 O=C1NCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-5138010157 [1,0,0,1,0,0|1,1,0]=4 124 B17R3.284867 O=C1NCCC2=C1NC3=C2C=C(C=C3)F MCULE-6577104822 [1,0,0,1,0,0|1,1,0]=4 125 B17R3.284867 O=C1NCCC2=C1NC3=CC=C(C=C23)I MCULE-5179573357 [1,0,0,1,0,0|1,1,0]=4 126 B17R3.284867 O=C1OCCC2=C1NC3=C2C=C(C=C3)Br MCULE-4341190044 [1,0,0,1,0,0|0,0,0]=2 127 B17R3.284867 OC1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-7318775878 [1,0,0,1,0,0|1,0,1]=4 128 B17R3.31653 BrC1=CC=C2NC3=C(C2=C1)CCNCC3 MCULE-6285004248 [1,0,0,1,0,0|1,0,1]=4 129 B19R3.7790954 CC1=CC2=C(C=C1)NC3=C2CCCC3C(=O)O MCULE-2626891242 [0,0,0,1,0,1|2,0,0]=4 130 B19R3.7790954 CC1=CC=C2NC3=C(C2=C1)CCNC3C(=O)O MCULE-5048741321 [0,0,0,1,0,1|1,0,0]=3 131 B19R3.7790954 O=C(O)C1CCCC2=C1NC3=C2C=C(C=C3)Br MCULE-9705400245 [0,0,0,1,0,1|1,0,0]=3 132 B19R3.7790954 O=C(O)C1CCCC2=C1NC3=C2C=C(C=C3)Cl MCULE-6449178331 [0,0,0,1,0,1|1,1,0]=4 133 B19R3.7790954 O=C(O)C1NCCC2=C1NC3=C2C=C(C=C3)F MCULE-1709906297 [0,0,0,1,0,1|0,1,0]=3 134 B17R2.122332 COC1=C(C=NC2=CC=C(C=C12)Br)C(=O)O MCULE-9993926979 [1,0,0,0,0,1|1,0,1]=4