0 B15R1.1257 C#CCC(=O)NC(CC)c1ccccc1 1626a_100000737752_100011220946 [0,0,1,0,0,0|2,0,1]=4 1 B15R1.1257 C#CCC(=O)NC(CC)c1ccccc1 527a_100000737752_100011220946 [0,0,1,0,0,0|2,0,1]=4 2 B15R1.1257 C=CCC(=O)NC(CC)c1ccccc1 11a_100000737752_100000210193 [0,0,1,0,0,0|2,0,0]=3 3 B15R1.1257 C=CCC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000210193 [0,0,1,0,0,0|2,0,0]=3 4 B15R1.1257 C=CCC(=O)NC(CC)c1ccccc1 240690a_100000737752_100000210193 [0,0,1,0,0,0|2,0,0]=3 5 B15R1.1257 C=CCC(=O)NC(CC)c1ccccc1 527a_100000737752_100000210193 [0,0,1,0,0,0|2,0,0]=3 6 B15R1.1257 C=CCC(=O)NC(CC)c1ccccn1 11a_100015186561_100000210193 [0,0,1,0,0,0|3,0,0]=4 7 B15R1.1257 C=CCC(=O)NC(CC)c1ccccn1 1626a_100015186561_100000210193 [0,0,1,0,0,0|3,0,0]=4 8 B15R1.1257 C=CCC(=O)NC(CC)c1ccccn1 240690a_100015186561_100000210193 [0,0,1,0,0,0|3,0,0]=4 9 B15R1.1257 C=CCC(=O)NC(CC)c1ccccn1 527a_100015186561_100000210193 [0,0,1,0,0,0|3,0,0]=4 10 B15R1.1257 C=CCC(=O)NC(CC)c1cccnc1 11a_100000246009_100000210193 [0,0,1,0,0,0|3,0,0]=4 11 B15R1.1257 C=CCC(=O)NC(CC)c1cccnc1 1626a_100000246009_100000210193 [0,0,1,0,0,0|3,0,0]=4 12 B15R1.1257 C=CCC(=O)NC(CC)c1cccnc1 240690a_100000246009_100000210193 [0,0,1,0,0,0|3,0,0]=4 13 B15R1.1257 C=CCC(=O)NC(CC)c1cccnc1 527a_100000246009_100000210193 [0,0,1,0,0,0|3,0,0]=4 14 B15R1.1257 C=CCC(=O)NC(CC)c1ccncc1 11a_100000246010_100000210193 [0,0,1,0,0,0|3,0,0]=4 15 B15R1.1257 C=CCC(=O)NC(CC)c1ccncc1 1626a_100000246010_100000210193 [0,0,1,0,0,0|3,0,0]=4 16 B15R1.1257 C=CCC(=O)NC(CC)c1ccncc1 240690a_100000246010_100000210193 [0,0,1,0,0,0|3,0,0]=4 17 B15R1.1257 C=CCC(=O)NC(CC)c1ccncc1 527a_100000246010_100000210193 [0,0,1,0,0,0|3,0,0]=4 18 B15R1.1257 C=CCC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100000210193 [0,0,1,0,0,0|3,0,0]=4 19 B15R1.1257 C=CCC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100000210193 [0,0,1,0,0,0|3,0,0]=4 20 B15R1.1257 CC=CC(=O)NC(CC)c1ccccc1 11a_100000737752_100000210699 [0,0,1,0,0,0|2,0,0]=3 21 B15R1.1257 CC=CC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000210699 [0,0,1,0,0,0|2,0,0]=3 22 B15R1.1257 CC=CC(=O)NC(CC)c1ccccc1 240690a_100000737752_100000210699 [0,0,1,0,0,0|2,0,0]=3 23 B15R1.1257 CC=CC(=O)NC(CC)c1ccccn1 11a_100015186561_100000210699 [0,0,1,0,0,0|3,0,0]=4 24 B15R1.1257 CC=CC(=O)NC(CC)c1ccccn1 1626a_100015186561_100000210699 [0,0,1,0,0,0|3,0,0]=4 25 B15R1.1257 CC=CC(=O)NC(CC)c1ccccn1 240690a_100015186561_100000210699 [0,0,1,0,0,0|3,0,0]=4 26 B15R1.1257 CC=CC(=O)NC(CC)c1cccnc1 11a_100000246009_100000210699 [0,0,1,0,0,0|3,0,0]=4 27 B15R1.1257 CC=CC(=O)NC(CC)c1cccnc1 1626a_100000246009_100000210699 [0,0,1,0,0,0|3,0,0]=4 28 B15R1.1257 CC=CC(=O)NC(CC)c1cccnc1 240690a_100000246009_100000210699 [0,0,1,0,0,0|3,0,0]=4 29 B15R1.1257 CC=CC(=O)NC(CC)c1ccncc1 11a_100000246010_100000210699 [0,0,1,0,0,0|3,0,0]=4 30 B15R1.1257 CC=CC(=O)NC(CC)c1ccncc1 1626a_100000246010_100000210699 [0,0,1,0,0,0|3,0,0]=4 31 B15R1.1257 CC=CC(=O)NC(CC)c1ccncc1 240690a_100000246010_100000210699 [0,0,1,0,0,0|3,0,0]=4 32 B15R1.1257 CC=CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100000210699 [0,0,1,0,0,0|3,0,0]=4 33 B15R1.1257 CCC(NC(=O)C=CBr)c1ccccc1 1626a_100000737752_100016273825 [0,0,1,0,0,0|2,0,0]=3 34 B15R1.1257 CCC(NC(=O)C=CBr)c1ccccc1 240690a_100000737752_100016273825 [0,0,1,0,0,0|2,0,0]=3 35 B15R1.1257 CCC(NC(=O)C=CBr)c1ccccn1 1626a_100015186561_100016273825 [0,0,1,0,0,0|3,0,0]=4 36 B15R1.1257 CCC(NC(=O)C=CBr)c1ccccn1 240690a_100015186561_100016273825 [0,0,1,0,0,0|3,0,0]=4 37 B15R1.1257 CCC(NC(=O)C=CBr)c1cccnc1 1626a_100000246009_100016273825 [0,0,1,0,0,0|3,0,0]=4 38 B15R1.1257 CCC(NC(=O)C=CBr)c1cccnc1 240690a_100000246009_100016273825 [0,0,1,0,0,0|3,0,0]=4 39 B15R1.1257 CCC(NC(=O)C=CBr)c1ccncc1 1626a_100000246010_100016273825 [0,0,1,0,0,0|3,0,0]=4 40 B15R1.1257 CCC(NC(=O)C=CBr)c1ccncc1 240690a_100000246010_100016273825 [0,0,1,0,0,0|3,0,0]=4 41 B15R1.1257 CCC(NC(=O)C=CCl)c1ccccc1 11a_100000737752_200016279998 [0,0,1,0,0,0|2,0,0]=3 42 B15R1.1257 CCC(NC(=O)C=CCl)c1ccccc1 1626a_100000737752_200016279998 [0,0,1,0,0,0|2,0,0]=3 43 B15R1.1257 CCC(NC(=O)C=CCl)c1ccccc1 240690a_100000737752_200016279998 [0,0,1,0,0,0|2,0,0]=3 44 B15R1.1257 CCC(NC(=O)C=CCl)c1ccccn1 11a_100015186561_200016279998 [0,0,1,0,0,0|3,0,0]=4 45 B15R1.1257 CCC(NC(=O)C=CCl)c1ccccn1 1626a_100015186561_200016279998 [0,0,1,0,0,0|3,0,0]=4 46 B15R1.1257 CCC(NC(=O)C=CCl)c1ccccn1 240690a_100015186561_200016279998 [0,0,1,0,0,0|3,0,0]=4 47 B15R1.1257 CCC(NC(=O)C=CCl)c1cccnc1 11a_100000246009_200016279998 [0,0,1,0,0,0|3,0,0]=4 48 B15R1.1257 CCC(NC(=O)C=CCl)c1cccnc1 1626a_100000246009_200016279998 [0,0,1,0,0,0|3,0,0]=4 49 B15R1.1257 CCC(NC(=O)C=CCl)c1cccnc1 240690a_100000246009_200016279998 [0,0,1,0,0,0|3,0,0]=4 50 B15R1.1257 CCC(NC(=O)C=CCl)c1ccncc1 11a_100000246010_200016279998 [0,0,1,0,0,0|3,0,0]=4 51 B15R1.1257 CCC(NC(=O)C=CCl)c1ccncc1 1626a_100000246010_200016279998 [0,0,1,0,0,0|3,0,0]=4 52 B15R1.1257 CCC(NC(=O)C=CCl)c1ccncc1 240690a_100000246010_200016279998 [0,0,1,0,0,0|3,0,0]=4 53 B15R1.1257 CCC(NC(=O)C=CI)c1ccccc1 1626a_100000737752_100016256311 [0,0,1,0,0,0|2,0,0]=3 54 B15R1.1257 CCC(NC(=O)C=CI)c1ccccn1 1626a_100015186561_100016256311 [0,0,1,0,0,0|3,0,0]=4 55 B15R1.1257 CCC(NC(=O)C=CI)c1cccnc1 1626a_100000246009_100016256311 [0,0,1,0,0,0|3,0,0]=4 56 B15R1.1257 CCC(NC(=O)C=CI)c1ccncc1 1626a_100000246010_100016256311 [0,0,1,0,0,0|3,0,0]=4 57 B15R1.1257 CCC(NC(=O)CC#N)c1ccccc1 1626a_100000737752_100051588842 [0,0,1,0,0,0|2,0,1]=4 58 B15R1.1257 CCC(NC(=O)CC#N)c1ccccc1 240690a_100000737752_100051588842 [0,0,1,0,0,0|2,0,1]=4 59 B15R1.1257 CCC(NC(=O)CCO)c1ccccc1 240690a_100000737752_100011216618 [0,0,1,0,0,0|1,0,2]=4 60 B15R1.1257 CCC(NC(=O)COC)c1ccccc1 11a_100000737752_100000210968 [0,0,1,0,0,0|3,0,0]=4 61 B15R1.1257 CCC(NC(=O)COC)c1ccccc1 1626a_100000737752_100000210968 [0,0,1,0,0,0|3,0,0]=4 62 B15R1.1257 CCC(NC(=O)COC)c1ccccc1 240690a_100000737752_100000210968 [0,0,1,0,0,0|3,0,0]=4 63 B15R1.1257 CCC(NC(=O)COC)c1ccccc1 527a_100000737752_100000210968 [0,0,1,0,0,0|3,0,0]=4 64 B15R1.1257 CCC(NC(=O)CSC)c1ccccc1 11a_100000737752_100000184570 [0,0,1,0,0,0|3,0,0]=4 65 B15R1.1257 CCC(NC(=O)CSC)c1ccccc1 1626a_100000737752_100000184570 [0,0,1,0,0,0|3,0,0]=4 66 B15R1.1257 CCC(NC(=O)CSC)c1ccccc1 240690a_100000737752_100000184570 [0,0,1,0,0,0|3,0,0]=4 67 B15R1.1257 CCC(NC(=O)CSC)c1ccccc1 527a_100000737752_100000184570 [0,0,1,0,0,0|3,0,0]=4 68 B15R1.1257 CCC(NC(=O)NNC)c1ccccc1 273464a_100000737752_100016993582 [0,0,1,0,0,0|2,0,0]=3 69 B15R1.1257 CCC(NC(=O)NNC)c1ccccc1 512a_100000737752_100016993582 [0,0,1,0,0,0|2,0,0]=3 70 B15R1.1257 CCC(NC(=O)NNC)c1ccccc1 512a_100016993582_100000737752 [0,0,1,0,0,0|2,0,0]=3 71 B15R1.1257 CCC(NC(=O)NNC)c1ccccn1 273464a_100015186561_100016993582 [0,0,1,0,0,0|3,0,0]=4 72 B15R1.1257 CCC(NC(=O)NNC)c1ccccn1 512a_100015186561_100016993582 [0,0,1,0,0,0|3,0,0]=4 73 B15R1.1257 CCC(NC(=O)NNC)c1ccccn1 512a_100016993582_100015186561 [0,0,1,0,0,0|3,0,0]=4 74 B15R1.1257 CCC(NC(=O)NNC)c1cccnc1 273464a_100000246009_100016993582 [0,0,1,0,0,0|3,0,0]=4 75 B15R1.1257 CCC(NC(=O)NNC)c1cccnc1 512a_100000246009_100016993582 [0,0,1,0,0,0|3,0,0]=4 76 B15R1.1257 CCC(NC(=O)NNC)c1cccnc1 512a_100016993582_100000246009 [0,0,1,0,0,0|3,0,0]=4 77 B15R1.1257 CCC(NC(=O)NNC)c1ccncc1 273464a_100000246010_100016993582 [0,0,1,0,0,0|3,0,0]=4 78 B15R1.1257 CCC(NC(=O)NNC)c1ccncc1 512a_100000246010_100016993582 [0,0,1,0,0,0|3,0,0]=4 79 B15R1.1257 CCC(NC(=O)NNC)c1ccncc1 512a_100016993582_100000246010 [0,0,1,0,0,0|3,0,0]=4 80 B15R1.1257 CCCC(=O)NC(CC)c1ccccc1 11a_100000737752_100000211992 [0,0,1,0,0,0|2,0,1]=4 81 B15R1.1257 CCCC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000211992 [0,0,1,0,0,0|2,0,1]=4 82 B15R1.1257 CCCC(=O)NC(CC)c1ccccc1 240690a_100000737752_100000211992 [0,0,1,0,0,0|2,0,1]=4 83 B15R1.1257 CCCC(=O)NC(CC)c1ccccc1 527a_100000737752_100000211992 [0,0,1,0,0,0|2,0,1]=4 84 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 2708a_100000737752_100015525214 [0,0,1,0,0,0|1,0,1]=3 85 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 2708a_100015525214_100000737752 [0,0,1,0,0,0|1,0,1]=3 86 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 273464a_100000737752_100015525214 [0,0,1,0,0,0|1,0,1]=3 87 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 273464a_100015525214_100000737752 [0,0,1,0,0,0|1,0,1]=3 88 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 512a_100000737752_100015525214 [0,0,1,0,0,0|1,0,1]=3 89 B15R1.1257 CCNC(=O)NC(CC)c1ccccc1 512a_100015525214_100000737752 [0,0,1,0,0,0|1,0,1]=3 90 B15R1.1257 CCNC(=O)NC(CC)c1ccccn1 2708a_100015186561_100015525214 [0,0,1,0,0,0|2,0,1]=4 91 B15R1.1257 CCNC(=O)NC(CC)c1ccccn1 2708a_100015525214_100015186561 [0,0,1,0,0,0|2,0,1]=4 92 B15R1.1257 CCNC(=O)NC(CC)c1ccccn1 273464a_100015186561_100015525214 [0,0,1,0,0,0|2,0,1]=4 93 B15R1.1257 CCNC(=O)NC(CC)c1ccccn1 273464a_100015525214_100015186561 [0,0,1,0,0,0|2,0,1]=4 94 B15R1.1257 CCNC(=O)NC(CC)c1ccccn1 512a_100015186561_100015525214 [0,0,1,0,0,0|2,0,1]=4 95 B15R1.1257 CCNC(=O)NC(CC)c1ccccn1 512a_100015525214_100015186561 [0,0,1,0,0,0|2,0,1]=4 96 B15R1.1257 CCNC(=O)NC(CC)c1cccnc1 2708a_100000246009_100015525214 [0,0,1,0,0,0|2,0,1]=4 97 B15R1.1257 CCNC(=O)NC(CC)c1cccnc1 2708a_100015525214_100000246009 [0,0,1,0,0,0|2,0,1]=4 98 B15R1.1257 CCNC(=O)NC(CC)c1cccnc1 273464a_100000246009_100015525214 [0,0,1,0,0,0|2,0,1]=4 99 B15R1.1257 CCNC(=O)NC(CC)c1cccnc1 273464a_100015525214_100000246009 [0,0,1,0,0,0|2,0,1]=4 100 B15R1.1257 CCNC(=O)NC(CC)c1cccnc1 512a_100000246009_100015525214 [0,0,1,0,0,0|2,0,1]=4 101 B15R1.1257 CCNC(=O)NC(CC)c1cccnc1 512a_100015525214_100000246009 [0,0,1,0,0,0|2,0,1]=4 102 B15R1.1257 CCNC(=O)NC(CC)c1ccncc1 2708a_100000246010_100015525214 [0,0,1,0,0,0|2,0,1]=4 103 B15R1.1257 CCNC(=O)NC(CC)c1ccncc1 2708a_100015525214_100000246010 [0,0,1,0,0,0|2,0,1]=4 104 B15R1.1257 CCNC(=O)NC(CC)c1ccncc1 273464a_100000246010_100015525214 [0,0,1,0,0,0|2,0,1]=4 105 B15R1.1257 CCNC(=O)NC(CC)c1ccncc1 273464a_100015525214_100000246010 [0,0,1,0,0,0|2,0,1]=4 106 B15R1.1257 CCNC(=O)NC(CC)c1ccncc1 512a_100000246010_100015525214 [0,0,1,0,0,0|2,0,1]=4 107 B15R1.1257 CCNC(=O)NC(CC)c1ccncc1 512a_100015525214_100000246010 [0,0,1,0,0,0|2,0,1]=4 108 B15R1.1257 CCNC(=O)N[C@H](CO)c1ccccc1 2708a_100015525214_100000751927 [0,0,1,0,0,0|2,0,1]=4 109 B15R1.1257 CCNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100015525214 [0,0,1,0,0,0|2,0,1]=4 110 B15R1.1257 CCNC(=O)N[C@H](CO)c1ccccc1 273464a_100015525214_100000751927 [0,0,1,0,0,0|2,0,1]=4 111 B15R1.1257 CCNC(=O)N[C@H](CO)c1ccccc1 512a_100015525214_100000751927 [0,0,1,0,0,0|2,0,1]=4 112 B15R1.1257 CNNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100016993582 [0,0,1,0,0,0|3,0,0]=4 113 B15R1.1257 CNNC(=O)N[C@H](CO)c1ccccc1 512a_100016993582_100000751927 [0,0,1,0,0,0|3,0,0]=4 114 B15R1.1257 O=C(C=CBr)N[C@H](CO)c1ccccc1 240690a_100000751927_100016273825 [0,0,1,0,0,0|3,0,0]=4 115 B15R1.1257 O=C(C=CCl)N[C@H](CO)c1ccccc1 240690a_100000751927_200016279998 [0,0,1,0,0,0|3,0,0]=4 116 B15R1.1350 C=C(C)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000748629 [0,0,1,0,0,0|3,0,0]=4 117 B15R1.1350 C=C(F)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100009893438 [0,0,1,0,0,0|3,0,0]=4 118 B15R1.1350 CCC(C(=O)CC(=O)N)c1ccccc1 1458a_100000211302_100000187820 [0,0,1,0,0,0|1,0,0]=2 119 B15R1.1350 CCC(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000211302_100020667443 [0,0,1,0,0,0|2,0,0]=3 120 B15R1.1350 CCC(C(=O)C[N+](=O)[O-])c1ccccc1 1458a_100000211302_100000761209 [0,0,1,0,0,0|3,0,0]=4 121 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 11a_100138425928_100000211302 [0,0,1,0,0,0|2,0,1]=4 122 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 1626a_100138425928_100000211302 [0,0,1,0,0,0|2,0,1]=4 123 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 240690a_100138425928_100000211302 [0,0,1,0,0,0|2,0,1]=4 124 B15R1.1350 CCC(C(=O)NC(C)C)c1ccccc1 527a_100138425928_100000211302 [0,0,1,0,0,0|2,0,1]=4 125 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)N 2230a_100000737544_100000747473 [0,0,1,0,0,0|3,0,0]=4 126 B15R1.1350 CCC(c1ccccc1)N(C)CC(=O)N 269982a_100000737544_100000187820 [0,0,1,0,0,0|3,0,0]=4 127 B15R1.1350 CCN(C(=O)CC(=O)C)c1ccccc1 1458a_100000070787_100000183513 [0,0,1,0,0,0|3,0,0]=4 128 B15R1.1350 CCN(C(=O)CC(=O)N)c1ccccc1 22a_100000210013_100134613110 [0,0,1,0,0,0|2,0,0]=3 129 B15R1.1350 CNC(C(=O)NC(=O)N)c1ccccc1 2230a_106832991635_100000010812 [0,0,1,0,0,0|1,0,0]=2 130 B15R1.1350 CO[C@@H](C(=O)CC(=O)N)c1ccccc1 1458a_100000698336_100000187820 [0,0,1,0,0,0|2,0,0]=3 131 B15R1.1350 CO[C@@H](C(=O)CC(=O)[O-])c1ccccc1 1458a_100000698336_100020667443 [0,0,1,0,0,0|3,0,0]=4 132 B15R1.1350 CSC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_200000210301 [0,0,1,0,0,0|1,0,0]=2 133 B15R1.1350 CSC(C(=O)NC(=O)N)c1ccccc1 62a_200000210301_100000010812 [0,0,1,0,0,0|1,0,0]=2 134 B15R1.1350 NC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000187820 [0,0,1,0,0,0|2,0,0]=3 135 B15R1.1350 O=C([O-])CC(=O)C(CO)c1ccccc1 1458a_100011218805_100020667443 [0,0,1,0,0,0|3,0,0]=4 136 B15R1.1350 [13CH3]SC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_200025704644 [0,0,1,0,0,0|1,0,0]=2 137 B15R1.1350 [13CH3]SC(C(=O)NC(=O)N)c1ccccc1 62a_200025704644_100000010812 [0,0,1,0,0,0|1,0,0]=2 138 B15R1.2633 CCC(NCF)(C(=O)O)c1ccccc1 269956a_100000752917_100015361967 [0,0,1,0,0,0|2,0,1]=4 139 B15R1.2633 CCNC(CC)(C(=O)O)c1ccccc1 269956a_100000752917_100000210202 [0,0,1,0,0,0|2,0,1]=4 140 B15R1.9919 C=CCC(=O)C(O)(CC)c1ccccc1 1458a_100011434905_100000210623 [0,0,1,0,0,0|3,0,0]=4 141 B15R1.9919 CCC(O)(C(=O)NNC)c1ccccc1 22a_100016993582_100011434905 [0,0,1,0,0,0|3,0,0]=4 142 B15R1.9919 CCNC(=O)C(O)(CC)c1ccccc1 240690a_100015525214_100011434905 [0,0,1,0,0,0|2,0,1]=4 143 B15R1.9958 CCC(CC)(NC(=O)C)c1ccccc1 11a_100020617177_100015343762 [0,0,1,0,0,0|2,0,1]=4 144 B15R1.9958 CCC(CC)(NC(=O)C)c1ccccc1 1626a_100020617177_100015343762 [0,0,1,0,0,0|2,0,1]=4 145 B15R1.9958 CCC(CC)(NC(=O)C)c1ccccc1 240690a_100020617177_100015343762 [0,0,1,0,0,0|2,0,1]=4 146 B15R1.9958 CCC(CC)(NC(=O)C)c1ccccc1 527a_100020617177_100103153847 [0,0,1,0,0,0|2,0,1]=4 147 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210193 [1,0,1,0,0,0|2,0,0]=4 148 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210193 [1,0,1,0,0,0|2,0,0]=4 149 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210193 [1,0,1,0,0,0|2,0,0]=4 150 B14R1.29 C=CCC(=O)N[C@H](C)c1ccccc1 527a_100000751104_100000210193 [1,0,1,0,0,0|2,0,0]=4 151 B14R1.29 CC=CC(=O)N[C@H](C)c1ccccc1 11a_100000751104_100000210699 [1,0,1,0,0,0|2,0,0]=4 152 B14R1.29 CC=CC(=O)N[C@H](C)c1ccccc1 1626a_100000751104_100000210699 [1,0,1,0,0,0|2,0,0]=4 153 B14R1.29 CC=CC(=O)N[C@H](C)c1ccccc1 240690a_100000751104_100000210699 [1,0,1,0,0,0|2,0,0]=4 154 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100000751104_100015525214 [1,0,1,0,0,0|1,0,1]=4 155 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 2708a_100015525214_100000751104 [1,0,1,0,0,0|1,0,1]=4 156 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100015525214 [1,0,1,0,0,0|1,0,1]=4 157 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 273464a_100015525214_100000751104 [1,0,1,0,0,0|1,0,1]=4 158 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100015525214 [1,0,1,0,0,0|1,0,1]=4 159 B14R1.29 CCNC(=O)N[C@H](C)c1ccccc1 512a_100015525214_100000751104 [1,0,1,0,0,0|1,0,1]=4 160 B14R1.29 CNNC(=O)N[C@H](C)c1ccccc1 273464a_100000751104_100016993582 [1,0,1,0,0,0|2,0,0]=4 161 B14R1.29 CNNC(=O)N[C@H](C)c1ccccc1 512a_100000751104_100016993582 [1,0,1,0,0,0|2,0,0]=4 162 B14R1.29 CNNC(=O)N[C@H](C)c1ccccc1 512a_100016993582_100000751104 [1,0,1,0,0,0|2,0,0]=4 163 B14R1.29 C[C@@H](NC(=O)C=CBr)c1ccccc1 1626a_100000751104_100016273825 [1,0,1,0,0,0|2,0,0]=4 164 B14R1.29 C[C@@H](NC(=O)C=CBr)c1ccccc1 240690a_100000751104_100016273825 [1,0,1,0,0,0|2,0,0]=4 165 B14R1.29 C[C@@H](NC(=O)C=CCl)c1ccccc1 11a_100000751104_200016279998 [1,0,1,0,0,0|2,0,0]=4 166 B14R1.29 C[C@@H](NC(=O)C=CCl)c1ccccc1 1626a_100000751104_200016279998 [1,0,1,0,0,0|2,0,0]=4 167 B14R1.29 C[C@@H](NC(=O)C=CCl)c1ccccc1 240690a_100000751104_200016279998 [1,0,1,0,0,0|2,0,0]=4 168 B14R1.29 C[C@@H](NC(=O)C=CI)c1ccccc1 1626a_100000751104_100016256311 [1,0,1,0,0,0|2,0,0]=4 169 B14R1.3297 C=CC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000185746 [1,0,1,0,0,0|1,0,0]=3 170 B14R1.3297 C=CC(=O)NC(CC)c1ccccc1 240690a_100000737752_200121576911 [1,0,1,0,0,0|1,0,0]=3 171 B14R1.3297 C=CC(=O)NC(CC)c1ccccn1 1626a_100015186561_100000185746 [1,0,1,0,0,0|2,0,0]=4 172 B14R1.3297 C=CC(=O)NC(CC)c1ccccn1 240690a_100015186561_200121576911 [1,0,1,0,0,0|2,0,0]=4 173 B14R1.3297 C=CC(=O)NC(CC)c1cccnc1 1626a_100000246009_100000185746 [1,0,1,0,0,0|2,0,0]=4 174 B14R1.3297 C=CC(=O)NC(CC)c1cccnc1 240690a_100000246009_200121576911 [1,0,1,0,0,0|2,0,0]=4 175 B14R1.3297 C=CC(=O)NC(CC)c1ccncc1 1626a_100000246010_100000185746 [1,0,1,0,0,0|2,0,0]=4 176 B14R1.3297 C=CC(=O)NC(CC)c1ccncc1 240690a_100000246010_200121576911 [1,0,1,0,0,0|2,0,0]=4 177 B14R1.3297 C=CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_200121576911 [1,0,1,0,0,0|2,0,0]=4 178 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 11a_100000737752_100000210414 [1,0,1,0,0,0|1,0,1]=4 179 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000210414 [1,0,1,0,0,0|1,0,1]=4 180 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 240690a_100000737752_100000210414 [1,0,1,0,0,0|1,0,1]=4 181 B14R1.3297 CCC(=O)NC(CC)c1ccccc1 527a_100000737752_100000210414 [1,0,1,0,0,0|1,0,1]=4 182 B14R1.3297 CCC(NC(=O)CO)c1ccccc1 240690a_100000737752_100000210174 [1,0,1,0,0,0|0,0,2]=4 183 B14R1.3297 CCC(NC(=O)CO)c1ccccc1 527a_100000737752_100000210174 [1,0,1,0,0,0|0,0,2]=4 184 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 2708a_100000737752_106832991635 [1,0,1,0,0,0|0,0,1]=3 185 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 2708a_100102657272_100000737752 [1,0,1,0,0,0|0,0,1]=3 186 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 273464a_100000737752_100102657272 [1,0,1,0,0,0|0,0,1]=3 187 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 273464a_100102657272_100000737752 [1,0,1,0,0,0|0,0,1]=3 188 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 512a_100000737752_100102657272 [1,0,1,0,0,0|0,0,1]=3 189 B14R1.3297 CCC(NC(=O)NC)c1ccccc1 512a_106832991638_100000737752 [1,0,1,0,0,0|0,0,1]=3 190 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 2708a_100015186561_106832991635 [1,0,1,0,0,0|1,0,1]=4 191 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 2708a_100102657272_100015186561 [1,0,1,0,0,0|1,0,1]=4 192 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 273464a_100015186561_100102657272 [1,0,1,0,0,0|1,0,1]=4 193 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 273464a_100102657272_100015186561 [1,0,1,0,0,0|1,0,1]=4 194 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 512a_100015186561_100102657272 [1,0,1,0,0,0|1,0,1]=4 195 B14R1.3297 CCC(NC(=O)NC)c1ccccn1 512a_106832991638_100015186561 [1,0,1,0,0,0|1,0,1]=4 196 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 2708a_100000246009_106832991635 [1,0,1,0,0,0|1,0,1]=4 197 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 2708a_100102657272_100000246009 [1,0,1,0,0,0|1,0,1]=4 198 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 273464a_100000246009_100102657272 [1,0,1,0,0,0|1,0,1]=4 199 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 273464a_100102657272_100000246009 [1,0,1,0,0,0|1,0,1]=4 200 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 512a_100000246009_100102657272 [1,0,1,0,0,0|1,0,1]=4 201 B14R1.3297 CCC(NC(=O)NC)c1cccnc1 512a_106832991638_100000246009 [1,0,1,0,0,0|1,0,1]=4 202 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 2708a_100000246010_106832991635 [1,0,1,0,0,0|1,0,1]=4 203 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 2708a_100102657272_100000246010 [1,0,1,0,0,0|1,0,1]=4 204 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 273464a_100000246010_100102657272 [1,0,1,0,0,0|1,0,1]=4 205 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 273464a_100102657272_100000246010 [1,0,1,0,0,0|1,0,1]=4 206 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 512a_100000246010_100102657272 [1,0,1,0,0,0|1,0,1]=4 207 B14R1.3297 CCC(NC(=O)NC)c1ccncc1 512a_106832991638_100000246010 [1,0,1,0,0,0|1,0,1]=4 208 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 2708a_100102657272_100000751927 [1,0,1,0,0,0|1,0,1]=4 209 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100102657272 [1,0,1,0,0,0|1,0,1]=4 210 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 273464a_100102657272_100000751927 [1,0,1,0,0,0|1,0,1]=4 211 B14R1.3297 CNC(=O)N[C@H](CO)c1ccccc1 512a_106832991638_100000751927 [1,0,1,0,0,0|1,0,1]=4 212 B14R1.417 CC(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100000230085 [1,0,1,0,0,0|1,0,0]=3 213 B14R1.417 CC(C(=O)CC(=O)N)c1ccccn1 1458a_100000722050_100000187820 [1,0,1,0,0,0|2,0,0]=4 214 B14R1.417 CN(C(=O)CC(=O)N)c1ccccc1 22a_100000210012_100134613110 [1,0,1,0,0,0|2,0,0]=4 215 B14R1.417 C[C@H](C(=O)CC(=O)N)c1ccccc1 1458a_100000751047_100000187820 [1,0,1,0,0,0|1,0,0]=3 216 B14R1.417 C[C@H](C(=O)CC(=O)[O-])c1ccccc1 1458a_100000751047_100020667443 [1,0,1,0,0,0|2,0,0]=4 217 B14R1.417 NC(=O)CC(=O)C(F)c1ccccc1 1458a_100000698975_100000187820 [1,0,1,0,0,0|2,0,0]=4 218 B14R1.417 NC(=O)CC(=O)[C@H](O)c1ccccc1 1458a_100000684486_100000187820 [1,0,1,0,0,0|2,0,0]=4 219 B14R1.540 CCC(NCC(=O)N)c1ccccc1 2230a_100000737752_100000747473 [1,0,1,0,0,0|2,0,0]=4 220 B14R1.540 CCC(OCC(=O)N)c1ccccc1 34a_100000698172_100000187820 [1,0,1,0,0,0|2,0,0]=4 221 B14R1.540 CCC(OCC(=O)N)c1ccccc1 7a_100000698172_100000187820 [1,0,1,0,0,0|2,0,0]=4 222 B14R1.604 C=CCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210623 [1,0,1,0,0,0|2,0,0]=4 223 B14R1.604 CCC(C(=O)NNC)c1ccccc1 22a_100016993582_100000211302 [1,0,1,0,0,0|2,0,0]=4 224 B14R1.604 CCNC(=O)C(CC)c1ccccc1 11a_100015525214_100000211302 [1,0,1,0,0,0|1,0,1]=4 225 B14R1.604 CCNC(=O)C(CC)c1ccccc1 240690a_100015525214_100000211302 [1,0,1,0,0,0|1,0,1]=4 226 B14R1.604 CCNC(=O)C(CC)c1ccccc1 527a_100015525214_100000211302 [1,0,1,0,0,0|1,0,1]=4 227 B14R1.6939 CCC(NC)(C(=O)O)c1ccccc1 269956a_100000752917_200000210301 [1,0,1,0,0,0|1,0,1]=4 228 B14R1.6939 CCC(N[13CH3])(C(=O)O)c1ccccc1 269956a_100000752917_200025704644 [1,0,1,0,0,0|1,0,1]=4 229 B14R1.2982 CCC(O)(C(=O)NC)c1ccccc1 240690a_100102657272_100011434905 [1,0,1,0,0,0|1,0,1]=4 230 B16R1.626 CC(=O)CC(=O)N[C@H](CO)c1ccccc1 1458a_100000070787_200013032810 [0,1,1,0,0,0|2,0,0]=4 231 B16R1.626 CCC(NC(=O)C=C(C)C)c1ccccc1 11a_100000737752_100000211388 [0,1,1,0,0,0|2,0,0]=4 232 B16R1.626 CCC(NC(=O)C=C(C)C)c1ccccc1 1626a_100000737752_100000211388 [0,1,1,0,0,0|2,0,0]=4 233 B16R1.626 CCC(NC(=O)C=C(C)C)c1ccccc1 240690a_100000737752_100000211388 [0,1,1,0,0,0|2,0,0]=4 234 B16R1.626 CCC(NC(=O)C=C(C)Cl)c1ccccc1 11a_100000737752_200042562850 [0,1,1,0,0,0|2,0,0]=4 235 B16R1.626 CCC(NC(=O)C=C(C)Cl)c1ccccc1 1626a_100000737752_200042562850 [0,1,1,0,0,0|2,0,0]=4 236 B16R1.626 CCC(NC(=O)C=C(C)Cl)c1ccccc1 240690a_100000737752_200042562850 [0,1,1,0,0,0|2,0,0]=4 237 B16R1.626 CCC(NC(=O)C=C(C)I)c1ccccc1 11a_100000737752_100025716642 [0,1,1,0,0,0|2,0,0]=4 238 B16R1.626 CCC(NC(=O)C=C(C)I)c1ccccc1 1626a_100000737752_100025716642 [0,1,1,0,0,0|2,0,0]=4 239 B16R1.626 CCC(NC(=O)C=C(Cl)Cl)c1ccccc1 1626a_100000737752_100000137448 [0,1,1,0,0,0|2,0,0]=4 240 B16R1.626 CCC(NC(=O)C=C(Cl)Cl)c1ccccc1 240690a_100000737752_100000137448 [0,1,1,0,0,0|2,0,0]=4 241 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccccc1 240690a_100000737752_100134613110 [0,1,1,0,0,0|1,0,0]=3 242 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccccc1 527a_100000737752_100134613110 [0,1,1,0,0,0|1,0,0]=3 243 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccccn1 240690a_100015186561_100134613110 [0,1,1,0,0,0|2,0,0]=4 244 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccccn1 527a_100015186561_100134613110 [0,1,1,0,0,0|2,0,0]=4 245 B16R1.626 CCC(NC(=O)CC(=O)N)c1cccnc1 240690a_100000246009_100134613110 [0,1,1,0,0,0|2,0,0]=4 246 B16R1.626 CCC(NC(=O)CC(=O)N)c1cccnc1 527a_100000246009_100134613110 [0,1,1,0,0,0|2,0,0]=4 247 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccncc1 240690a_100000246010_100134613110 [0,1,1,0,0,0|2,0,0]=4 248 B16R1.626 CCC(NC(=O)CC(=O)N)c1ccncc1 527a_100000246010_100134613110 [0,1,1,0,0,0|2,0,0]=4 249 B16R1.626 CCC(NC(=O)NC(C)C)c1ccccc1 2708a_100000737752_100138425928 [0,1,1,0,0,0|1,0,1]=4 250 B16R1.626 CCC(NC(=O)NC(C)C)c1ccccc1 2708a_100138425928_100000737752 [0,1,1,0,0,0|1,0,1]=4 251 B16R1.626 CCC(NC(=O)NC(C)C)c1ccccc1 273464a_100138425928_100000737752 [0,1,1,0,0,0|1,0,1]=4 252 B16R1.626 CCC(NC(=O)NC(C)C)c1ccccc1 512a_100000737752_100138425928 [0,1,1,0,0,0|1,0,1]=4 253 B16R1.626 CCC(NC(=O)NC(C)C)c1ccccc1 512a_100138425928_100000737752 [0,1,1,0,0,0|1,0,1]=4 254 B16R1.626 CCN(CC(=O)NC(=O)C)c1ccccc1 269982a_100000210013_100000183797 [0,1,1,0,0,0|2,0,0]=4 255 B16R1.626 CCN(CC(=O)NC(=O)N)c1ccccc1 2230a_100000210013_100000182717 [0,1,1,0,0,0|2,0,0]=4 256 B16R1.626 CCN(CC(=O)NC(=O)N)c1ccccc1 269982a_100000210013_100000182717 [0,1,1,0,0,0|2,0,0]=4 257 B16R1.626 NC(=O)CC(=O)N[C@H](CO)c1ccccc1 240690a_100000751927_100134613110 [0,1,1,0,0,0|2,0,0]=4 258 B16R1.626 NC(=O)CC(=O)N[C@H](CO)c1ccccc1 527a_100000751927_100134613110 [0,1,1,0,0,0|2,0,0]=4 259 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)C 11a_100000749201_100000210193 [0,1,1,0,0,0|2,0,0]=4 260 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)C 1626a_100000749201_100000210193 [0,1,1,0,0,0|2,0,0]=4 261 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)C 240690a_100000749201_100000210193 [0,1,1,0,0,0|2,0,0]=4 262 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)C 527a_100000749201_100000210193 [0,1,1,0,0,0|2,0,0]=4 263 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)F 11a_100011191751_100000210193 [0,1,1,0,0,0|2,0,0]=4 264 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)F 1626a_100011191751_100000210193 [0,1,1,0,0,0|2,0,0]=4 265 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)F 240690a_100011191751_100000210193 [0,1,1,0,0,0|2,0,0]=4 266 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)F 527a_100011191751_100000210193 [0,1,1,0,0,0|2,0,0]=4 267 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)O 1626a_100015187210_100000210193 [0,1,1,0,0,0|2,0,0]=4 268 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)O 240690a_100015187210_100000210193 [0,1,1,0,0,0|2,0,0]=4 269 B16R1.1521 C=CCC(=O)NC(CC)c1ccc(cc1)O 527a_100015187210_100000210193 [0,1,1,0,0,0|2,0,0]=4 270 B16R1.1521 C=CCC(=O)N[C@@H](CC)c1ccc(cc1)Br 11a_100025736560_100000210193 [0,1,1,0,0,0|2,0,0]=4 271 B16R1.1521 C=CCC(=O)N[C@@H](CC)c1ccc(cc1)Br 1626a_100025736560_100000210193 [0,1,1,0,0,0|2,0,0]=4 272 B16R1.1521 C=CCC(=O)N[C@@H](CC)c1ccc(cc1)Br 240690a_100025736560_100000210193 [0,1,1,0,0,0|2,0,0]=4 273 B16R1.1521 C=CCC(=O)N[C@@H](CC)c1ccc(cc1)Br 527a_100025736560_100000210193 [0,1,1,0,0,0|2,0,0]=4 274 B16R1.1521 C=CCC(=O)N[C@@H](CC)c1ccc(cc1)Cl 11a_100015186824_100000210193 [0,1,1,0,0,0|2,0,0]=4 275 B16R1.1521 C=CCC(=O)N[C@@H](CC)c1ccc(cc1)Cl 1626a_100015186824_100000210193 [0,1,1,0,0,0|2,0,0]=4 276 B16R1.1521 C=CCC(=O)N[C@@H](CC)c1ccc(cc1)Cl 240690a_100015186824_100000210193 [0,1,1,0,0,0|2,0,0]=4 277 B16R1.1521 C=CCC(=O)N[C@@H](CC)c1ccc(cc1)Cl 527a_100015186824_100000210193 [0,1,1,0,0,0|2,0,0]=4 278 B16R1.1521 CC=CC(=O)NC(CC)c1ccc(cc1)C 11a_100000749201_100000210699 [0,1,1,0,0,0|2,0,0]=4 279 B16R1.1521 CC=CC(=O)NC(CC)c1ccc(cc1)C 1626a_100000749201_100000210699 [0,1,1,0,0,0|2,0,0]=4 280 B16R1.1521 CC=CC(=O)NC(CC)c1ccc(cc1)C 240690a_100000749201_100000210699 [0,1,1,0,0,0|2,0,0]=4 281 B16R1.1521 CC=CC(=O)NC(CC)c1ccc(cc1)F 11a_100011191751_100000210699 [0,1,1,0,0,0|2,0,0]=4 282 B16R1.1521 CC=CC(=O)NC(CC)c1ccc(cc1)F 1626a_100011191751_100000210699 [0,1,1,0,0,0|2,0,0]=4 283 B16R1.1521 CC=CC(=O)NC(CC)c1ccc(cc1)F 240690a_100011191751_100000210699 [0,1,1,0,0,0|2,0,0]=4 284 B16R1.1521 CC=CC(=O)NC(CC)c1ccc(cc1)O 1626a_100015187210_100000210699 [0,1,1,0,0,0|2,0,0]=4 285 B16R1.1521 CC=CC(=O)NC(CC)c1ccc(cc1)O 240690a_100015187210_100000210699 [0,1,1,0,0,0|2,0,0]=4 286 B16R1.1521 CC=CC(=O)N[C@@H](CC)c1ccc(cc1)Br 11a_100025736560_100000210699 [0,1,1,0,0,0|2,0,0]=4 287 B16R1.1521 CC=CC(=O)N[C@@H](CC)c1ccc(cc1)Br 1626a_100025736560_100000210699 [0,1,1,0,0,0|2,0,0]=4 288 B16R1.1521 CC=CC(=O)N[C@@H](CC)c1ccc(cc1)Br 240690a_100025736560_100000210699 [0,1,1,0,0,0|2,0,0]=4 289 B16R1.1521 CC=CC(=O)N[C@@H](CC)c1ccc(cc1)Cl 11a_100015186824_100000210699 [0,1,1,0,0,0|2,0,0]=4 290 B16R1.1521 CC=CC(=O)N[C@@H](CC)c1ccc(cc1)Cl 1626a_100015186824_100000210699 [0,1,1,0,0,0|2,0,0]=4 291 B16R1.1521 CC=CC(=O)N[C@@H](CC)c1ccc(cc1)Cl 240690a_100015186824_100000210699 [0,1,1,0,0,0|2,0,0]=4 292 B16R1.1521 CCC(NC(=O)C=CBr)c1ccc(cc1)C 1626a_100000749201_100016273825 [0,1,1,0,0,0|2,0,0]=4 293 B16R1.1521 CCC(NC(=O)C=CBr)c1ccc(cc1)C 240690a_100000749201_100016273825 [0,1,1,0,0,0|2,0,0]=4 294 B16R1.1521 CCC(NC(=O)C=CBr)c1ccc(cc1)F 1626a_100011191751_100016273825 [0,1,1,0,0,0|2,0,0]=4 295 B16R1.1521 CCC(NC(=O)C=CBr)c1ccc(cc1)F 240690a_100011191751_100016273825 [0,1,1,0,0,0|2,0,0]=4 296 B16R1.1521 CCC(NC(=O)C=CBr)c1ccc(cc1)O 1626a_100015187210_100016273825 [0,1,1,0,0,0|2,0,0]=4 297 B16R1.1521 CCC(NC(=O)C=CBr)c1ccc(cc1)O 240690a_100015187210_100016273825 [0,1,1,0,0,0|2,0,0]=4 298 B16R1.1521 CCC(NC(=O)C=CCl)c1ccc(cc1)C 11a_100000749201_200016279998 [0,1,1,0,0,0|2,0,0]=4 299 B16R1.1521 CCC(NC(=O)C=CCl)c1ccc(cc1)C 1626a_100000749201_200016279998 [0,1,1,0,0,0|2,0,0]=4 300 B16R1.1521 CCC(NC(=O)C=CCl)c1ccc(cc1)C 240690a_100000749201_200016279998 [0,1,1,0,0,0|2,0,0]=4 301 B16R1.1521 CCC(NC(=O)C=CCl)c1ccc(cc1)F 11a_100011191751_200016279998 [0,1,1,0,0,0|2,0,0]=4 302 B16R1.1521 CCC(NC(=O)C=CCl)c1ccc(cc1)F 1626a_100011191751_200016279998 [0,1,1,0,0,0|2,0,0]=4 303 B16R1.1521 CCC(NC(=O)C=CCl)c1ccc(cc1)F 240690a_100011191751_200016279998 [0,1,1,0,0,0|2,0,0]=4 304 B16R1.1521 CCC(NC(=O)C=CCl)c1ccc(cc1)O 1626a_100015187210_200016279998 [0,1,1,0,0,0|2,0,0]=4 305 B16R1.1521 CCC(NC(=O)C=CCl)c1ccc(cc1)O 240690a_100015187210_200016279998 [0,1,1,0,0,0|2,0,0]=4 306 B16R1.1521 CCC(NC(=O)C=CI)c1ccc(cc1)C 1626a_100000749201_100016256311 [0,1,1,0,0,0|2,0,0]=4 307 B16R1.1521 CCC(NC(=O)C=CI)c1ccc(cc1)F 1626a_100011191751_100016256311 [0,1,1,0,0,0|2,0,0]=4 308 B16R1.1521 CCC(NC(=O)C=CI)c1ccc(cc1)O 1626a_100015187210_100016256311 [0,1,1,0,0,0|2,0,0]=4 309 B16R1.1521 CCC(NC(=O)NNC)c1ccc(cc1)C 273464a_100000749201_100016993582 [0,1,1,0,0,0|2,0,0]=4 310 B16R1.1521 CCC(NC(=O)NNC)c1ccc(cc1)C 512a_100000749201_100016993582 [0,1,1,0,0,0|2,0,0]=4 311 B16R1.1521 CCC(NC(=O)NNC)c1ccc(cc1)C 512a_100016993582_100000749201 [0,1,1,0,0,0|2,0,0]=4 312 B16R1.1521 CCC(NC(=O)NNC)c1ccc(cc1)F 273464a_100011191751_100016993582 [0,1,1,0,0,0|2,0,0]=4 313 B16R1.1521 CCC(NC(=O)NNC)c1ccc(cc1)F 512a_100011191751_100016993582 [0,1,1,0,0,0|2,0,0]=4 314 B16R1.1521 CCC(NC(=O)NNC)c1ccc(cc1)F 512a_100016993582_100011191751 [0,1,1,0,0,0|2,0,0]=4 315 B16R1.1521 CCC(NC(=O)NNC)c1ccc(cc1)O 273464a_100015187210_100016993582 [0,1,1,0,0,0|2,0,0]=4 316 B16R1.1521 CCC(NC(=O)NNC)c1ccc(cc1)O 512a_100015187210_100016993582 [0,1,1,0,0,0|2,0,0]=4 317 B16R1.1521 CCC(NC(=O)NNC)c1ccc(cc1)O 512a_100016993582_100015187210 [0,1,1,0,0,0|2,0,0]=4 318 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)C 2708a_100000749201_100015525214 [0,1,1,0,0,0|1,0,1]=4 319 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)C 2708a_100015525214_100000749201 [0,1,1,0,0,0|1,0,1]=4 320 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)C 273464a_100000749201_100015525214 [0,1,1,0,0,0|1,0,1]=4 321 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)C 273464a_100015525214_100000749201 [0,1,1,0,0,0|1,0,1]=4 322 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)C 512a_100000749201_100015525214 [0,1,1,0,0,0|1,0,1]=4 323 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)C 512a_100015525214_100000749201 [0,1,1,0,0,0|1,0,1]=4 324 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)F 2708a_100011191751_100015525214 [0,1,1,0,0,0|1,0,1]=4 325 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)F 2708a_100015525214_100011191751 [0,1,1,0,0,0|1,0,1]=4 326 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)F 273464a_100011191751_100015525214 [0,1,1,0,0,0|1,0,1]=4 327 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)F 273464a_100015525214_100011191751 [0,1,1,0,0,0|1,0,1]=4 328 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)F 512a_100011191751_100015525214 [0,1,1,0,0,0|1,0,1]=4 329 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)F 512a_100015525214_100011191751 [0,1,1,0,0,0|1,0,1]=4 330 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)O 2708a_100015187210_100015525214 [0,1,1,0,0,0|1,0,1]=4 331 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)O 2708a_100015525214_100015187210 [0,1,1,0,0,0|1,0,1]=4 332 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)O 273464a_100015187210_100015525214 [0,1,1,0,0,0|1,0,1]=4 333 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)O 273464a_100015525214_100015187210 [0,1,1,0,0,0|1,0,1]=4 334 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)O 512a_100015187210_100015525214 [0,1,1,0,0,0|1,0,1]=4 335 B16R1.1521 CCNC(=O)NC(CC)c1ccc(cc1)O 512a_100015525214_100015187210 [0,1,1,0,0,0|1,0,1]=4 336 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Br 2708a_100015525214_100025736560 [0,1,1,0,0,0|1,0,1]=4 337 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Br 2708a_100025736560_100015525214 [0,1,1,0,0,0|1,0,1]=4 338 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Br 273464a_100015525214_100025736560 [0,1,1,0,0,0|1,0,1]=4 339 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Br 273464a_100025736560_100015525214 [0,1,1,0,0,0|1,0,1]=4 340 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Br 512a_100015525214_100025736560 [0,1,1,0,0,0|1,0,1]=4 341 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Br 512a_100025736560_100015525214 [0,1,1,0,0,0|1,0,1]=4 342 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Cl 2708a_100015186824_100015525214 [0,1,1,0,0,0|1,0,1]=4 343 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Cl 2708a_100015525214_100015186824 [0,1,1,0,0,0|1,0,1]=4 344 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Cl 273464a_100015186824_100015525214 [0,1,1,0,0,0|1,0,1]=4 345 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Cl 273464a_100015525214_100015186824 [0,1,1,0,0,0|1,0,1]=4 346 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Cl 512a_100015186824_100015525214 [0,1,1,0,0,0|1,0,1]=4 347 B16R1.1521 CCNC(=O)N[C@@H](CC)c1ccc(cc1)Cl 512a_100015525214_100015186824 [0,1,1,0,0,0|1,0,1]=4 348 B16R1.1521 CC[C@H](NC(=O)C=CBr)c1ccc(cc1)Br 1626a_100025736560_100016273825 [0,1,1,0,0,0|2,0,0]=4 349 B16R1.1521 CC[C@H](NC(=O)C=CBr)c1ccc(cc1)Br 240690a_100025736560_100016273825 [0,1,1,0,0,0|2,0,0]=4 350 B16R1.1521 CC[C@H](NC(=O)C=CBr)c1ccc(cc1)Cl 1626a_100015186824_100016273825 [0,1,1,0,0,0|2,0,0]=4 351 B16R1.1521 CC[C@H](NC(=O)C=CBr)c1ccc(cc1)Cl 240690a_100015186824_100016273825 [0,1,1,0,0,0|2,0,0]=4 352 B16R1.1521 CC[C@H](NC(=O)C=CCl)c1ccc(cc1)Br 11a_100025736560_200016279998 [0,1,1,0,0,0|2,0,0]=4 353 B16R1.1521 CC[C@H](NC(=O)C=CCl)c1ccc(cc1)Br 1626a_100025736560_200016279998 [0,1,1,0,0,0|2,0,0]=4 354 B16R1.1521 CC[C@H](NC(=O)C=CCl)c1ccc(cc1)Br 240690a_100025736560_200016279998 [0,1,1,0,0,0|2,0,0]=4 355 B16R1.1521 CC[C@H](NC(=O)C=CCl)c1ccc(cc1)Cl 11a_100015186824_200016279998 [0,1,1,0,0,0|2,0,0]=4 356 B16R1.1521 CC[C@H](NC(=O)C=CCl)c1ccc(cc1)Cl 1626a_100015186824_200016279998 [0,1,1,0,0,0|2,0,0]=4 357 B16R1.1521 CC[C@H](NC(=O)C=CCl)c1ccc(cc1)Cl 240690a_100015186824_200016279998 [0,1,1,0,0,0|2,0,0]=4 358 B16R1.1521 CC[C@H](NC(=O)C=CI)c1ccc(cc1)Br 1626a_100025736560_100016256311 [0,1,1,0,0,0|2,0,0]=4 359 B16R1.1521 CC[C@H](NC(=O)C=CI)c1ccc(cc1)Cl 1626a_100015186824_100016256311 [0,1,1,0,0,0|2,0,0]=4 360 B16R1.1521 CC[C@H](NC(=O)NNC)c1ccc(cc1)Br 273464a_100025736560_100016993582 [0,1,1,0,0,0|2,0,0]=4 361 B16R1.1521 CC[C@H](NC(=O)NNC)c1ccc(cc1)Br 512a_100016993582_100025736560 [0,1,1,0,0,0|2,0,0]=4 362 B16R1.1521 CC[C@H](NC(=O)NNC)c1ccc(cc1)Br 512a_100025736560_100016993582 [0,1,1,0,0,0|2,0,0]=4 363 B16R1.1521 CC[C@H](NC(=O)NNC)c1ccc(cc1)Cl 273464a_100015186824_100016993582 [0,1,1,0,0,0|2,0,0]=4 364 B16R1.1521 CC[C@H](NC(=O)NNC)c1ccc(cc1)Cl 512a_100015186824_100016993582 [0,1,1,0,0,0|2,0,0]=4 365 B16R1.1521 CC[C@H](NC(=O)NNC)c1ccc(cc1)Cl 512a_100016993582_100015186824 [0,1,1,0,0,0|2,0,0]=4 366 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)Cl 11a_100000737531_100000210193 [0,1,1,0,0,0|2,0,0]=4 367 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)Cl 1626a_100000737531_100000210193 [0,1,1,0,0,0|2,0,0]=4 368 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)Cl 240690a_100000737531_100000210193 [0,1,1,0,0,0|2,0,0]=4 369 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)Cl 527a_100000737531_100000210193 [0,1,1,0,0,0|2,0,0]=4 370 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)F 11a_100159265421_100000210193 [0,1,1,0,0,0|2,0,0]=4 371 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)F 1626a_100159265421_100000210193 [0,1,1,0,0,0|2,0,0]=4 372 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)F 240690a_100159265421_100000210193 [0,1,1,0,0,0|2,0,0]=4 373 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)F 527a_100159265421_100000210193 [0,1,1,0,0,0|2,0,0]=4 374 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)O 1626a_100159312145_100000210193 [0,1,1,0,0,0|2,0,0]=4 375 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)O 240690a_100159312145_100000210193 [0,1,1,0,0,0|2,0,0]=4 376 B16R1.1522 C=CCC(=O)NC(CC)c1cccc(c1)O 527a_100159312145_100000210193 [0,1,1,0,0,0|2,0,0]=4 377 B16R1.1522 C=CCC(=O)N[C@@H](CC)c1cccc(c1)Br 11a_100102422761_100000210193 [0,1,1,0,0,0|2,0,0]=4 378 B16R1.1522 C=CCC(=O)N[C@@H](CC)c1cccc(c1)Br 1626a_100102422761_100000210193 [0,1,1,0,0,0|2,0,0]=4 379 B16R1.1522 C=CCC(=O)N[C@@H](CC)c1cccc(c1)Br 240690a_100102422761_100000210193 [0,1,1,0,0,0|2,0,0]=4 380 B16R1.1522 C=CCC(=O)N[C@@H](CC)c1cccc(c1)Br 527a_100102422761_100000210193 [0,1,1,0,0,0|2,0,0]=4 381 B16R1.1522 C=CCC(=O)N[C@H](CC)c1cccc(c1)C 11a_200016991486_100000210193 [0,1,1,0,0,0|2,0,0]=4 382 B16R1.1522 C=CCC(=O)N[C@H](CC)c1cccc(c1)C 1626a_200016991486_100000210193 [0,1,1,0,0,0|2,0,0]=4 383 B16R1.1522 C=CCC(=O)N[C@H](CC)c1cccc(c1)C 240690a_200016991486_100000210193 [0,1,1,0,0,0|2,0,0]=4 384 B16R1.1522 C=CCC(=O)N[C@H](CC)c1cccc(c1)C 527a_200016991486_100000210193 [0,1,1,0,0,0|2,0,0]=4 385 B16R1.1522 CC=CC(=O)NC(CC)c1cccc(c1)Cl 11a_100000737531_100000210699 [0,1,1,0,0,0|2,0,0]=4 386 B16R1.1522 CC=CC(=O)NC(CC)c1cccc(c1)Cl 1626a_100000737531_100000210699 [0,1,1,0,0,0|2,0,0]=4 387 B16R1.1522 CC=CC(=O)NC(CC)c1cccc(c1)Cl 240690a_100000737531_100000210699 [0,1,1,0,0,0|2,0,0]=4 388 B16R1.1522 CC=CC(=O)NC(CC)c1cccc(c1)F 11a_100159265421_100000210699 [0,1,1,0,0,0|2,0,0]=4 389 B16R1.1522 CC=CC(=O)NC(CC)c1cccc(c1)F 1626a_100159265421_100000210699 [0,1,1,0,0,0|2,0,0]=4 390 B16R1.1522 CC=CC(=O)NC(CC)c1cccc(c1)F 240690a_100159265421_100000210699 [0,1,1,0,0,0|2,0,0]=4 391 B16R1.1522 CC=CC(=O)NC(CC)c1cccc(c1)O 1626a_100159312145_100000210699 [0,1,1,0,0,0|2,0,0]=4 392 B16R1.1522 CC=CC(=O)NC(CC)c1cccc(c1)O 240690a_100159312145_100000210699 [0,1,1,0,0,0|2,0,0]=4 393 B16R1.1522 CC=CC(=O)N[C@@H](CC)c1cccc(c1)Br 11a_100102422761_100000210699 [0,1,1,0,0,0|2,0,0]=4 394 B16R1.1522 CC=CC(=O)N[C@@H](CC)c1cccc(c1)Br 1626a_100102422761_100000210699 [0,1,1,0,0,0|2,0,0]=4 395 B16R1.1522 CC=CC(=O)N[C@@H](CC)c1cccc(c1)Br 240690a_100102422761_100000210699 [0,1,1,0,0,0|2,0,0]=4 396 B16R1.1522 CC=CC(=O)N[C@H](CC)c1cccc(c1)C 11a_200016991486_100000210699 [0,1,1,0,0,0|2,0,0]=4 397 B16R1.1522 CC=CC(=O)N[C@H](CC)c1cccc(c1)C 1626a_200016991486_100000210699 [0,1,1,0,0,0|2,0,0]=4 398 B16R1.1522 CC=CC(=O)N[C@H](CC)c1cccc(c1)C 240690a_200016991486_100000210699 [0,1,1,0,0,0|2,0,0]=4 399 B16R1.1522 CCC(NC(=O)C=CBr)c1cccc(c1)Cl 1626a_100000737531_100016273825 [0,1,1,0,0,0|2,0,0]=4 400 B16R1.1522 CCC(NC(=O)C=CBr)c1cccc(c1)Cl 240690a_100000737531_100016273825 [0,1,1,0,0,0|2,0,0]=4 401 B16R1.1522 CCC(NC(=O)C=CBr)c1cccc(c1)F 1626a_100159265421_100016273825 [0,1,1,0,0,0|2,0,0]=4 402 B16R1.1522 CCC(NC(=O)C=CBr)c1cccc(c1)F 240690a_100159265421_100016273825 [0,1,1,0,0,0|2,0,0]=4 403 B16R1.1522 CCC(NC(=O)C=CBr)c1cccc(c1)O 1626a_100159312145_100016273825 [0,1,1,0,0,0|2,0,0]=4 404 B16R1.1522 CCC(NC(=O)C=CBr)c1cccc(c1)O 240690a_100159312145_100016273825 [0,1,1,0,0,0|2,0,0]=4 405 B16R1.1522 CCC(NC(=O)C=CCl)c1cccc(c1)Cl 11a_100000737531_200016279998 [0,1,1,0,0,0|2,0,0]=4 406 B16R1.1522 CCC(NC(=O)C=CCl)c1cccc(c1)Cl 1626a_100000737531_200016279998 [0,1,1,0,0,0|2,0,0]=4 407 B16R1.1522 CCC(NC(=O)C=CCl)c1cccc(c1)Cl 240690a_100000737531_200016279998 [0,1,1,0,0,0|2,0,0]=4 408 B16R1.1522 CCC(NC(=O)C=CCl)c1cccc(c1)F 11a_100159265421_200016279998 [0,1,1,0,0,0|2,0,0]=4 409 B16R1.1522 CCC(NC(=O)C=CCl)c1cccc(c1)F 1626a_100159265421_200016279998 [0,1,1,0,0,0|2,0,0]=4 410 B16R1.1522 CCC(NC(=O)C=CCl)c1cccc(c1)F 240690a_100159265421_200016279998 [0,1,1,0,0,0|2,0,0]=4 411 B16R1.1522 CCC(NC(=O)C=CCl)c1cccc(c1)O 1626a_100159312145_200016279998 [0,1,1,0,0,0|2,0,0]=4 412 B16R1.1522 CCC(NC(=O)C=CCl)c1cccc(c1)O 240690a_100159312145_200016279998 [0,1,1,0,0,0|2,0,0]=4 413 B16R1.1522 CCC(NC(=O)C=CI)c1cccc(c1)Cl 1626a_100000737531_100016256311 [0,1,1,0,0,0|2,0,0]=4 414 B16R1.1522 CCC(NC(=O)C=CI)c1cccc(c1)F 1626a_100159265421_100016256311 [0,1,1,0,0,0|2,0,0]=4 415 B16R1.1522 CCC(NC(=O)C=CI)c1cccc(c1)O 1626a_100159312145_100016256311 [0,1,1,0,0,0|2,0,0]=4 416 B16R1.1522 CCC(NC(=O)NNC)c1cccc(c1)Cl 273464a_100000737531_100016993582 [0,1,1,0,0,0|2,0,0]=4 417 B16R1.1522 CCC(NC(=O)NNC)c1cccc(c1)Cl 512a_100000737531_100016993582 [0,1,1,0,0,0|2,0,0]=4 418 B16R1.1522 CCC(NC(=O)NNC)c1cccc(c1)Cl 512a_100016993582_100000737531 [0,1,1,0,0,0|2,0,0]=4 419 B16R1.1522 CCC(NC(=O)NNC)c1cccc(c1)F 273464a_100159265421_100016993582 [0,1,1,0,0,0|2,0,0]=4 420 B16R1.1522 CCC(NC(=O)NNC)c1cccc(c1)F 512a_100016993582_100159265421 [0,1,1,0,0,0|2,0,0]=4 421 B16R1.1522 CCC(NC(=O)NNC)c1cccc(c1)F 512a_100159265421_100016993582 [0,1,1,0,0,0|2,0,0]=4 422 B16R1.1522 CCC(NC(=O)NNC)c1cccc(c1)O 273464a_100159312145_100016993582 [0,1,1,0,0,0|2,0,0]=4 423 B16R1.1522 CCC(NC(=O)NNC)c1cccc(c1)O 512a_100016993582_100159312145 [0,1,1,0,0,0|2,0,0]=4 424 B16R1.1522 CCC(NC(=O)NNC)c1cccc(c1)O 512a_100159312145_100016993582 [0,1,1,0,0,0|2,0,0]=4 425 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)Cl 2708a_100000737531_100015525214 [0,1,1,0,0,0|1,0,1]=4 426 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)Cl 2708a_100015525214_100000737531 [0,1,1,0,0,0|1,0,1]=4 427 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)Cl 273464a_100000737531_100015525214 [0,1,1,0,0,0|1,0,1]=4 428 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)Cl 273464a_100015525214_100000737531 [0,1,1,0,0,0|1,0,1]=4 429 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)Cl 512a_100000737531_100015525214 [0,1,1,0,0,0|1,0,1]=4 430 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)Cl 512a_100015525214_100000737531 [0,1,1,0,0,0|1,0,1]=4 431 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)F 2708a_100015525214_100159265421 [0,1,1,0,0,0|1,0,1]=4 432 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)F 2708a_100159265421_100015525214 [0,1,1,0,0,0|1,0,1]=4 433 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)F 273464a_100015525214_100159265421 [0,1,1,0,0,0|1,0,1]=4 434 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)F 273464a_100159265421_100015525214 [0,1,1,0,0,0|1,0,1]=4 435 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)F 512a_100015525214_100159265421 [0,1,1,0,0,0|1,0,1]=4 436 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)F 512a_100159265421_100015525214 [0,1,1,0,0,0|1,0,1]=4 437 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)O 2708a_100015525214_100159312145 [0,1,1,0,0,0|1,0,1]=4 438 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)O 2708a_100159312145_100015525214 [0,1,1,0,0,0|1,0,1]=4 439 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)O 273464a_100015525214_100159312145 [0,1,1,0,0,0|1,0,1]=4 440 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)O 273464a_100159312145_100015525214 [0,1,1,0,0,0|1,0,1]=4 441 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)O 512a_100015525214_100159312145 [0,1,1,0,0,0|1,0,1]=4 442 B16R1.1522 CCNC(=O)NC(CC)c1cccc(c1)O 512a_100159312145_100015525214 [0,1,1,0,0,0|1,0,1]=4 443 B16R1.1522 CCNC(=O)N[C@@H](CC)c1cccc(c1)Br 2708a_100015525214_100102422761 [0,1,1,0,0,0|1,0,1]=4 444 B16R1.1522 CCNC(=O)N[C@@H](CC)c1cccc(c1)Br 2708a_100102422761_100015525214 [0,1,1,0,0,0|1,0,1]=4 445 B16R1.1522 CCNC(=O)N[C@@H](CC)c1cccc(c1)Br 273464a_100015525214_100102422761 [0,1,1,0,0,0|1,0,1]=4 446 B16R1.1522 CCNC(=O)N[C@@H](CC)c1cccc(c1)Br 273464a_100102422761_100015525214 [0,1,1,0,0,0|1,0,1]=4 447 B16R1.1522 CCNC(=O)N[C@@H](CC)c1cccc(c1)Br 512a_100015525214_100102422761 [0,1,1,0,0,0|1,0,1]=4 448 B16R1.1522 CCNC(=O)N[C@@H](CC)c1cccc(c1)Br 512a_100102422761_100015525214 [0,1,1,0,0,0|1,0,1]=4 449 B16R1.1522 CCNC(=O)N[C@H](CC)c1cccc(c1)C 2708a_100015525214_200016991486 [0,1,1,0,0,0|1,0,1]=4 450 B16R1.1522 CCNC(=O)N[C@H](CC)c1cccc(c1)C 2708a_200016991486_100015525214 [0,1,1,0,0,0|1,0,1]=4 451 B16R1.1522 CCNC(=O)N[C@H](CC)c1cccc(c1)C 273464a_100015525214_200016991486 [0,1,1,0,0,0|1,0,1]=4 452 B16R1.1522 CCNC(=O)N[C@H](CC)c1cccc(c1)C 273464a_200016991486_100015525214 [0,1,1,0,0,0|1,0,1]=4 453 B16R1.1522 CCNC(=O)N[C@H](CC)c1cccc(c1)C 512a_100015525214_200016991486 [0,1,1,0,0,0|1,0,1]=4 454 B16R1.1522 CCNC(=O)N[C@H](CC)c1cccc(c1)C 512a_200016991486_100015525214 [0,1,1,0,0,0|1,0,1]=4 455 B16R1.1522 CC[C@@H](NC(=O)C=CBr)c1cccc(c1)C 1626a_200016991486_100016273825 [0,1,1,0,0,0|2,0,0]=4 456 B16R1.1522 CC[C@@H](NC(=O)C=CBr)c1cccc(c1)C 240690a_200016991486_100016273825 [0,1,1,0,0,0|2,0,0]=4 457 B16R1.1522 CC[C@@H](NC(=O)C=CCl)c1cccc(c1)C 11a_200016991486_200016279998 [0,1,1,0,0,0|2,0,0]=4 458 B16R1.1522 CC[C@@H](NC(=O)C=CCl)c1cccc(c1)C 1626a_200016991486_200016279998 [0,1,1,0,0,0|2,0,0]=4 459 B16R1.1522 CC[C@@H](NC(=O)C=CCl)c1cccc(c1)C 240690a_200016991486_200016279998 [0,1,1,0,0,0|2,0,0]=4 460 B16R1.1522 CC[C@@H](NC(=O)C=CI)c1cccc(c1)C 1626a_200016991486_100016256311 [0,1,1,0,0,0|2,0,0]=4 461 B16R1.1522 CC[C@@H](NC(=O)NNC)c1cccc(c1)C 273464a_200016991486_100016993582 [0,1,1,0,0,0|2,0,0]=4 462 B16R1.1522 CC[C@@H](NC(=O)NNC)c1cccc(c1)C 512a_100016993582_200016991486 [0,1,1,0,0,0|2,0,0]=4 463 B16R1.1522 CC[C@@H](NC(=O)NNC)c1cccc(c1)C 512a_200016991486_100016993582 [0,1,1,0,0,0|2,0,0]=4 464 B16R1.1522 CC[C@H](NC(=O)C=CBr)c1cccc(c1)Br 1626a_100102422761_100016273825 [0,1,1,0,0,0|2,0,0]=4 465 B16R1.1522 CC[C@H](NC(=O)C=CBr)c1cccc(c1)Br 240690a_100102422761_100016273825 [0,1,1,0,0,0|2,0,0]=4 466 B16R1.1522 CC[C@H](NC(=O)C=CCl)c1cccc(c1)Br 11a_100102422761_200016279998 [0,1,1,0,0,0|2,0,0]=4 467 B16R1.1522 CC[C@H](NC(=O)C=CCl)c1cccc(c1)Br 1626a_100102422761_200016279998 [0,1,1,0,0,0|2,0,0]=4 468 B16R1.1522 CC[C@H](NC(=O)C=CCl)c1cccc(c1)Br 240690a_100102422761_200016279998 [0,1,1,0,0,0|2,0,0]=4 469 B16R1.1522 CC[C@H](NC(=O)C=CI)c1cccc(c1)Br 1626a_100102422761_100016256311 [0,1,1,0,0,0|2,0,0]=4 470 B16R1.1522 CC[C@H](NC(=O)NNC)c1cccc(c1)Br 273464a_100102422761_100016993582 [0,1,1,0,0,0|2,0,0]=4 471 B16R1.1522 CC[C@H](NC(=O)NNC)c1cccc(c1)Br 512a_100016993582_100102422761 [0,1,1,0,0,0|2,0,0]=4 472 B16R1.1522 CC[C@H](NC(=O)NNC)c1cccc(c1)Br 512a_100102422761_100016993582 [0,1,1,0,0,0|2,0,0]=4 473 B16R1.2049 C=CCC(=O)N[C@@H](CC)c1ccccc1Cl 11a_200016987949_100000210193 [0,1,1,0,0,0|2,0,0]=4 474 B16R1.2049 C=CCC(=O)N[C@@H](CC)c1ccccc1Cl 1626a_200016987949_100000210193 [0,1,1,0,0,0|2,0,0]=4 475 B16R1.2049 C=CCC(=O)N[C@@H](CC)c1ccccc1Cl 240690a_200016987949_100000210193 [0,1,1,0,0,0|2,0,0]=4 476 B16R1.2049 C=CCC(=O)N[C@@H](CC)c1ccccc1Cl 527a_200016987949_100000210193 [0,1,1,0,0,0|2,0,0]=4 477 B16R1.2049 C=CCC(=O)N[C@@H](CC)c1ccccc1F 11a_100015190424_100000210193 [0,1,1,0,0,0|2,0,0]=4 478 B16R1.2049 C=CCC(=O)N[C@@H](CC)c1ccccc1F 1626a_100015190424_100000210193 [0,1,1,0,0,0|2,0,0]=4 479 B16R1.2049 C=CCC(=O)N[C@@H](CC)c1ccccc1F 240690a_100015190424_100000210193 [0,1,1,0,0,0|2,0,0]=4 480 B16R1.2049 C=CCC(=O)N[C@@H](CC)c1ccccc1F 527a_100015190424_100000210193 [0,1,1,0,0,0|2,0,0]=4 481 B16R1.2049 CC=CC(=O)N[C@@H](CC)c1ccccc1Cl 11a_200016987949_100000210699 [0,1,1,0,0,0|2,0,0]=4 482 B16R1.2049 CC=CC(=O)N[C@@H](CC)c1ccccc1Cl 1626a_200016987949_100000210699 [0,1,1,0,0,0|2,0,0]=4 483 B16R1.2049 CC=CC(=O)N[C@@H](CC)c1ccccc1Cl 240690a_200016987949_100000210699 [0,1,1,0,0,0|2,0,0]=4 484 B16R1.2049 CC=CC(=O)N[C@@H](CC)c1ccccc1F 11a_100015190424_100000210699 [0,1,1,0,0,0|2,0,0]=4 485 B16R1.2049 CC=CC(=O)N[C@@H](CC)c1ccccc1F 1626a_100015190424_100000210699 [0,1,1,0,0,0|2,0,0]=4 486 B16R1.2049 CC=CC(=O)N[C@@H](CC)c1ccccc1F 240690a_100015190424_100000210699 [0,1,1,0,0,0|2,0,0]=4 487 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1Cl 2708a_100015525214_200016987949 [0,1,1,0,0,0|1,0,1]=4 488 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1Cl 2708a_200016987949_100015525214 [0,1,1,0,0,0|1,0,1]=4 489 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1Cl 273464a_100015525214_200016987949 [0,1,1,0,0,0|1,0,1]=4 490 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1Cl 273464a_200016987949_100015525214 [0,1,1,0,0,0|1,0,1]=4 491 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1Cl 512a_100015525214_200016987949 [0,1,1,0,0,0|1,0,1]=4 492 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1Cl 512a_200016987949_100015525214 [0,1,1,0,0,0|1,0,1]=4 493 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1F 2708a_100015190424_100015525214 [0,1,1,0,0,0|1,0,1]=4 494 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1F 2708a_100015525214_100015190424 [0,1,1,0,0,0|1,0,1]=4 495 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1F 273464a_100015190424_100015525214 [0,1,1,0,0,0|1,0,1]=4 496 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1F 273464a_100015525214_100015190424 [0,1,1,0,0,0|1,0,1]=4 497 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1F 512a_100015190424_100015525214 [0,1,1,0,0,0|1,0,1]=4 498 B16R1.2049 CCNC(=O)N[C@@H](CC)c1ccccc1F 512a_100015525214_100015190424 [0,1,1,0,0,0|1,0,1]=4 499 B16R1.2049 CC[C@H](NC(=O)C=CBr)c1ccccc1Cl 1626a_200016987949_100016273825 [0,1,1,0,0,0|2,0,0]=4 500 B16R1.2049 CC[C@H](NC(=O)C=CBr)c1ccccc1Cl 240690a_200016987949_100016273825 [0,1,1,0,0,0|2,0,0]=4 501 B16R1.2049 CC[C@H](NC(=O)C=CBr)c1ccccc1F 1626a_100015190424_100016273825 [0,1,1,0,0,0|2,0,0]=4 502 B16R1.2049 CC[C@H](NC(=O)C=CBr)c1ccccc1F 240690a_100015190424_100016273825 [0,1,1,0,0,0|2,0,0]=4 503 B16R1.2049 CC[C@H](NC(=O)C=CCl)c1ccccc1Cl 11a_200016987949_200016279998 [0,1,1,0,0,0|2,0,0]=4 504 B16R1.2049 CC[C@H](NC(=O)C=CCl)c1ccccc1Cl 1626a_200016987949_200016279998 [0,1,1,0,0,0|2,0,0]=4 505 B16R1.2049 CC[C@H](NC(=O)C=CCl)c1ccccc1Cl 240690a_200016987949_200016279998 [0,1,1,0,0,0|2,0,0]=4 506 B16R1.2049 CC[C@H](NC(=O)C=CCl)c1ccccc1F 11a_100015190424_200016279998 [0,1,1,0,0,0|2,0,0]=4 507 B16R1.2049 CC[C@H](NC(=O)C=CCl)c1ccccc1F 1626a_100015190424_200016279998 [0,1,1,0,0,0|2,0,0]=4 508 B16R1.2049 CC[C@H](NC(=O)C=CCl)c1ccccc1F 240690a_100015190424_200016279998 [0,1,1,0,0,0|2,0,0]=4 509 B16R1.2049 CC[C@H](NC(=O)C=CI)c1ccccc1Cl 1626a_200016987949_100016256311 [0,1,1,0,0,0|2,0,0]=4 510 B16R1.2049 CC[C@H](NC(=O)C=CI)c1ccccc1F 1626a_100015190424_100016256311 [0,1,1,0,0,0|2,0,0]=4 511 B16R1.2049 CC[C@H](NC(=O)NNC)c1ccccc1Cl 273464a_200016987949_100016993582 [0,1,1,0,0,0|2,0,0]=4 512 B16R1.2049 CC[C@H](NC(=O)NNC)c1ccccc1Cl 512a_100016993582_200016987949 [0,1,1,0,0,0|2,0,0]=4 513 B16R1.2049 CC[C@H](NC(=O)NNC)c1ccccc1Cl 512a_200016987949_100016993582 [0,1,1,0,0,0|2,0,0]=4 514 B16R1.2049 CC[C@H](NC(=O)NNC)c1ccccc1F 273464a_100015190424_100016993582 [0,1,1,0,0,0|2,0,0]=4 515 B16R1.2049 CC[C@H](NC(=O)NNC)c1ccccc1F 512a_100015190424_100016993582 [0,1,1,0,0,0|2,0,0]=4 516 B16R1.2049 CC[C@H](NC(=O)NNC)c1ccccc1F 512a_100016993582_100015190424 [0,1,1,0,0,0|2,0,0]=4 517 B16R1.4478 C#CCNC(=O)NC(CC)c1ccccc1 2708a_100000212058_100000737752 [0,1,1,0,0,0|1,0,1]=4 518 B16R1.4478 C#CCNC(=O)NC(CC)c1ccccc1 2708a_100000737752_100000212058 [0,1,1,0,0,0|1,0,1]=4 519 B16R1.4478 C#CCNC(=O)NC(CC)c1ccccc1 273464a_100000212058_100000737752 [0,1,1,0,0,0|1,0,1]=4 520 B16R1.4478 C#CCNC(=O)NC(CC)c1ccccc1 273464a_100000737752_100000212058 [0,1,1,0,0,0|1,0,1]=4 521 B16R1.4478 C#CCNC(=O)NC(CC)c1ccccc1 512a_100000212058_100000737752 [0,1,1,0,0,0|1,0,1]=4 522 B16R1.4478 C#CCNC(=O)NC(CC)c1ccccc1 512a_100000737752_100000212058 [0,1,1,0,0,0|1,0,1]=4 523 B16R1.4478 C=CC=CC(=O)NC(CC)c1ccccc1 1626a_100000737752_100016291481 [0,1,1,0,0,0|2,0,0]=4 524 B16R1.4478 C=CCCC(=O)NC(CC)c1ccccc1 11a_100000737752_100000749702 [0,1,1,0,0,0|2,0,0]=4 525 B16R1.4478 C=CCCC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000749702 [0,1,1,0,0,0|2,0,0]=4 526 B16R1.4478 C=CCCC(=O)NC(CC)c1ccccc1 240690a_100000737752_100000749702 [0,1,1,0,0,0|2,0,0]=4 527 B16R1.4478 C=CCCC(=O)NC(CC)c1ccccc1 527a_100000737752_100000749702 [0,1,1,0,0,0|2,0,0]=4 528 B16R1.4478 C=CCNC(=O)NC(CC)c1ccccc1 2708a_100000737752_100020586998 [0,1,1,0,0,0|1,0,0]=3 529 B16R1.4478 C=CCNC(=O)NC(CC)c1ccccc1 273464a_100000737752_100020586998 [0,1,1,0,0,0|1,0,0]=3 530 B16R1.4478 C=CCNC(=O)NC(CC)c1ccccc1 273464a_100020586998_100000737752 [0,1,1,0,0,0|1,0,0]=3 531 B16R1.4478 C=CCNC(=O)NC(CC)c1ccccc1 512a_100000737752_100020586998 [0,1,1,0,0,0|1,0,0]=3 532 B16R1.4478 C=CCNC(=O)NC(CC)c1ccccc1 512a_100020586998_100000737752 [0,1,1,0,0,0|1,0,0]=3 533 B16R1.4478 C=CCNC(=O)NC(CC)c1ccccn1 2708a_100015186561_100020586998 [0,1,1,0,0,0|2,0,0]=4 534 B16R1.4478 C=CCNC(=O)NC(CC)c1ccccn1 273464a_100015186561_100020586998 [0,1,1,0,0,0|2,0,0]=4 535 B16R1.4478 C=CCNC(=O)NC(CC)c1ccccn1 273464a_100020586998_100015186561 [0,1,1,0,0,0|2,0,0]=4 536 B16R1.4478 C=CCNC(=O)NC(CC)c1ccccn1 512a_100015186561_100020586998 [0,1,1,0,0,0|2,0,0]=4 537 B16R1.4478 C=CCNC(=O)NC(CC)c1ccccn1 512a_100020586998_100015186561 [0,1,1,0,0,0|2,0,0]=4 538 B16R1.4478 C=CCNC(=O)NC(CC)c1cccnc1 2708a_100000246009_100020586998 [0,1,1,0,0,0|2,0,0]=4 539 B16R1.4478 C=CCNC(=O)NC(CC)c1cccnc1 273464a_100000246009_100020586998 [0,1,1,0,0,0|2,0,0]=4 540 B16R1.4478 C=CCNC(=O)NC(CC)c1cccnc1 273464a_100020586998_100000246009 [0,1,1,0,0,0|2,0,0]=4 541 B16R1.4478 C=CCNC(=O)NC(CC)c1cccnc1 512a_100000246009_100020586998 [0,1,1,0,0,0|2,0,0]=4 542 B16R1.4478 C=CCNC(=O)NC(CC)c1cccnc1 512a_100020586998_100000246009 [0,1,1,0,0,0|2,0,0]=4 543 B16R1.4478 C=CCNC(=O)NC(CC)c1ccncc1 2708a_100000246010_100020586998 [0,1,1,0,0,0|2,0,0]=4 544 B16R1.4478 C=CCNC(=O)NC(CC)c1ccncc1 273464a_100000246010_100020586998 [0,1,1,0,0,0|2,0,0]=4 545 B16R1.4478 C=CCNC(=O)NC(CC)c1ccncc1 273464a_100020586998_100000246010 [0,1,1,0,0,0|2,0,0]=4 546 B16R1.4478 C=CCNC(=O)NC(CC)c1ccncc1 512a_100000246010_100020586998 [0,1,1,0,0,0|2,0,0]=4 547 B16R1.4478 C=CCNC(=O)NC(CC)c1ccncc1 512a_100020586998_100000246010 [0,1,1,0,0,0|2,0,0]=4 548 B16R1.4478 C=CCNC(=O)N[C@H](CO)c1ccccc1 273464a_100000751927_100020586998 [0,1,1,0,0,0|2,0,0]=4 549 B16R1.4478 C=CCNC(=O)N[C@H](CO)c1ccccc1 273464a_100020586998_100000751927 [0,1,1,0,0,0|2,0,0]=4 550 B16R1.4478 C=CCNC(=O)N[C@H](CO)c1ccccc1 512a_100020586998_100000751927 [0,1,1,0,0,0|2,0,0]=4 551 B16R1.4478 CC=CCC(=O)NC(CC)c1ccccc1 11a_100000737752_100121576822 [0,1,1,0,0,0|2,0,0]=4 552 B16R1.4478 CC=CCC(=O)NC(CC)c1ccccc1 1626a_100000737752_100121576822 [0,1,1,0,0,0|2,0,0]=4 553 B16R1.4478 CC=CCC(=O)NC(CC)c1ccccc1 240690a_100000737752_100121576822 [0,1,1,0,0,0|2,0,0]=4 554 B16R1.4478 CC=CCC(=O)NC(CC)c1ccccc1 527a_100000737752_100121576822 [0,1,1,0,0,0|2,0,0]=4 555 B16R1.4478 CCC(NC(=O)C=COC)c1ccccc1 1626a_100000737752_100016268678 [0,1,1,0,0,0|1,0,1]=4 556 B16R1.4478 CCC(NC(=O)C=COC)c1ccccc1 240690a_100000737752_100016268678 [0,1,1,0,0,0|1,0,1]=4 557 B16R1.4478 CCC(NC(=O)NCC#N)c1ccccc1 2708a_100000734998_100000737752 [0,1,1,0,0,0|1,0,1]=4 558 B16R1.4478 CCC(NC(=O)NCC#N)c1ccccc1 273464a_100000734998_100000737752 [0,1,1,0,0,0|1,0,1]=4 559 B16R1.4478 CCC(NC(=O)NCC#N)c1ccccc1 273464a_100000737752_100000734998 [0,1,1,0,0,0|1,0,1]=4 560 B16R1.4478 CCC(NC(=O)NCC#N)c1ccccc1 512a_100000734998_100000737752 [0,1,1,0,0,0|1,0,1]=4 561 B16R1.4478 CCC(NC(=O)NCC#N)c1ccccc1 512a_100000737752_100000734998 [0,1,1,0,0,0|1,0,1]=4 562 B16R1.4478 CCC(NC(=O)NCCF)c1ccccc1 2708a_100000737752_100000724931 [0,1,1,0,0,0|1,0,1]=4 563 B16R1.4478 CCC(NC(=O)NCCF)c1ccccc1 273464a_100000724931_100000737752 [0,1,1,0,0,0|1,0,1]=4 564 B16R1.4478 CCC(NC(=O)NCCF)c1ccccc1 273464a_100000737752_100000724931 [0,1,1,0,0,0|1,0,1]=4 565 B16R1.4478 CCC(NC(=O)NCCF)c1ccccc1 512a_100000737752_100000724931 [0,1,1,0,0,0|1,0,1]=4 566 B16R1.4478 CCC(NC(=O)NCCO)c1ccccc1 2708a_100000737752_100000210304 [0,1,1,0,0,0|0,0,2]=4 567 B16R1.4478 CCC(NC(=O)NCCO)c1ccccc1 273464a_100000210304_100000737752 [0,1,1,0,0,0|0,0,2]=4 568 B16R1.4478 CCC(NC(=O)NCCO)c1ccccc1 273464a_100000737752_100000210304 [0,1,1,0,0,0|0,0,2]=4 569 B16R1.4478 CCC(NC(=O)NCCO)c1ccccc1 512a_100000737752_100000210304 [0,1,1,0,0,0|0,0,2]=4 570 B16R1.4478 CCC=CC(=O)NC(CC)c1ccccc1 11a_100000737752_100000212282 [0,1,1,0,0,0|2,0,0]=4 571 B16R1.4478 CCC=CC(=O)NC(CC)c1ccccc1 1626a_100000737752_100000212282 [0,1,1,0,0,0|2,0,0]=4 572 B16R1.4478 CCC=CC(=O)NC(CC)c1ccccc1 240690a_100000737752_100000212282 [0,1,1,0,0,0|2,0,0]=4 573 B16R1.4478 CCCNC(=O)NC(CC)c1ccccc1 2708a_100000737752_100020643023 [0,1,1,0,0,0|1,0,1]=4 574 B16R1.4478 CCCNC(=O)NC(CC)c1ccccc1 2708a_100020643023_100000737752 [0,1,1,0,0,0|1,0,1]=4 575 B16R1.4478 CCCNC(=O)NC(CC)c1ccccc1 273464a_100000737752_100020643023 [0,1,1,0,0,0|1,0,1]=4 576 B16R1.4478 CCCNC(=O)NC(CC)c1ccccc1 273464a_100020643023_100000737752 [0,1,1,0,0,0|1,0,1]=4 577 B16R1.4478 CCCNC(=O)NC(CC)c1ccccc1 512a_100000737752_100020643023 [0,1,1,0,0,0|1,0,1]=4 578 B16R1.4478 CCCNC(=O)NC(CC)c1ccccc1 512a_100020643023_100000737752 [0,1,1,0,0,0|1,0,1]=4 579 B16R1.4478 CCNNC(=O)NC(CC)c1ccccc1 273464a_100000737752_100000756455 [0,1,1,0,0,0|1,0,1]=4 580 B16R1.4478 CCNNC(=O)NC(CC)c1ccccc1 512a_100000737752_100000756455 [0,1,1,0,0,0|1,0,1]=4 581 B16R1.4478 CCNNC(=O)NC(CC)c1ccccc1 512a_100000756455_100000737752 [0,1,1,0,0,0|1,0,1]=4 582 B16R1.4559 C=CCC(=O)N(C)C(CC)c1ccccc1 11a_100000737544_100000210193 [0,1,1,0,0,0|2,0,0]=4 583 B16R1.4559 C=CCC(=O)N(C)C(CC)c1ccccc1 1626a_100000737544_100000210193 [0,1,1,0,0,0|2,0,0]=4 584 B16R1.4559 C=CCC(=O)N(C)C(CC)c1ccccc1 240690a_100000737544_100000210193 [0,1,1,0,0,0|2,0,0]=4 585 B16R1.4559 C=CCC(=O)N(C)C(CC)c1ccccc1 527a_100000737544_100000210193 [0,1,1,0,0,0|2,0,0]=4 586 B16R1.4559 CC=CC(=O)N(C)C(CC)c1ccccc1 11a_100000737544_100000210699 [0,1,1,0,0,0|2,0,0]=4 587 B16R1.4559 CC=CC(=O)N(C)C(CC)c1ccccc1 1626a_100000737544_100000210699 [0,1,1,0,0,0|2,0,0]=4 588 B16R1.4559 CC=CC(=O)N(C)C(CC)c1ccccc1 240690a_100000737544_100000210699 [0,1,1,0,0,0|2,0,0]=4 589 B16R1.4559 CCC(c1ccccc1)N(C)C(=O)C=CBr 1626a_100000737544_100016273825 [0,1,1,0,0,0|2,0,0]=4 590 B16R1.4559 CCC(c1ccccc1)N(C)C(=O)C=CBr 240690a_100000737544_100016273825 [0,1,1,0,0,0|2,0,0]=4 591 B16R1.4559 CCC(c1ccccc1)N(C)C(=O)C=CCl 11a_100000737544_200016279998 [0,1,1,0,0,0|2,0,0]=4 592 B16R1.4559 CCC(c1ccccc1)N(C)C(=O)C=CCl 1626a_100000737544_200016279998 [0,1,1,0,0,0|2,0,0]=4 593 B16R1.4559 CCC(c1ccccc1)N(C)C(=O)C=CCl 240690a_100000737544_200016279998 [0,1,1,0,0,0|2,0,0]=4 594 B16R1.4559 CCC(c1ccccc1)N(C)C(=O)C=CI 1626a_100000737544_100016256311 [0,1,1,0,0,0|2,0,0]=4 595 B16R1.4559 CCNC(=O)N(C)C(CC)c1ccccc1 2708a_100015525214_100000737544 [0,1,1,0,0,0|1,0,1]=4 596 B16R1.4559 CCNC(=O)N(C)C(CC)c1ccccc1 273464a_100015525214_100000737544 [0,1,1,0,0,0|1,0,1]=4 597 B16R1.6948 C/C=C(\C)/C(=O)NC(CC)c1ccccc1 11a_100000737752_100020587367 [0,1,1,0,0,0|2,0,0]=4 598 B16R1.6948 C/C=C(\C)/C(=O)NC(CC)c1ccccc1 1626a_100000737752_100020587367 [0,1,1,0,0,0|2,0,0]=4 599 B16R1.6948 C=CC(C)C(=O)NC(CC)c1ccccc1 11a_100000737752_100011216780 [0,1,1,0,0,0|2,0,0]=4 600 B16R1.6948 C=CC(C)C(=O)NC(CC)c1ccccc1 1626a_100000737752_100011216780 [0,1,1,0,0,0|2,0,0]=4 601 B16R1.6948 C=CC(C)C(=O)NC(CC)c1ccccc1 240690a_100000737752_100011216780 [0,1,1,0,0,0|2,0,0]=4 602 B16R1.6948 C=CC(C)C(=O)NC(CC)c1ccccc1 527a_100000737752_100011216780 [0,1,1,0,0,0|2,0,0]=4 603 B16R1.6948 CCC(NC(=O)N(C)CC)c1ccccc1 2708a_100000737752_100000225621 [0,1,1,0,0,0|1,0,1]=4 604 B16R1.6948 CCC(NC(=O)N(C)CC)c1ccccc1 273464a_100000737752_100000225621 [0,1,1,0,0,0|1,0,1]=4 605 B16R1.15557 C=CCC(=O)NC(CCC)c1ccccc1 11a_100000189686_100000210193 [0,1,1,0,0,0|2,0,0]=4 606 B16R1.15557 C=CCC(=O)NC(CCC)c1ccccc1 1626a_100000189686_100000210193 [0,1,1,0,0,0|2,0,0]=4 607 B16R1.15557 C=CCC(=O)NC(CCC)c1ccccc1 240690a_100000189686_100000210193 [0,1,1,0,0,0|2,0,0]=4 608 B16R1.15557 C=CCC(=O)NC(CCC)c1ccccc1 527a_100000189686_100000210193 [0,1,1,0,0,0|2,0,0]=4 609 B16R1.15557 C=CCC(=O)N[C@@H](CCO)c1ccccc1 240690a_100025705951_100000210193 [0,1,1,0,0,0|2,0,0]=4 610 B16R1.15557 C=CCC(=O)N[C@@H](CCO)c1ccccc1 527a_100025705951_100000210193 [0,1,1,0,0,0|2,0,0]=4 611 B16R1.15557 C=CCC(=O)N[C@H](COC)c1ccccc1 11a_103619048568_100000210193 [0,1,1,0,0,0|2,0,0]=4 612 B16R1.15557 C=CCC(=O)N[C@H](COC)c1ccccc1 1626a_103619048568_100000210193 [0,1,1,0,0,0|2,0,0]=4 613 B16R1.15557 C=CCC(=O)N[C@H](COC)c1ccccc1 240690a_103619048568_100000210193 [0,1,1,0,0,0|2,0,0]=4 614 B16R1.15557 C=CCC(=O)N[C@H](COC)c1ccccc1 527a_103619048568_100000210193 [0,1,1,0,0,0|2,0,0]=4 615 B16R1.15557 CC=CC(=O)NC(CCC)c1ccccc1 11a_100000189686_100000210699 [0,1,1,0,0,0|2,0,0]=4 616 B16R1.15557 CC=CC(=O)NC(CCC)c1ccccc1 1626a_100000189686_100000210699 [0,1,1,0,0,0|2,0,0]=4 617 B16R1.15557 CC=CC(=O)NC(CCC)c1ccccc1 240690a_100000189686_100000210699 [0,1,1,0,0,0|2,0,0]=4 618 B16R1.15557 CC=CC(=O)N[C@@H](CCO)c1ccccc1 240690a_100025705951_100000210699 [0,1,1,0,0,0|2,0,0]=4 619 B16R1.15557 CC=CC(=O)N[C@H](COC)c1ccccc1 11a_103619048568_100000210699 [0,1,1,0,0,0|2,0,0]=4 620 B16R1.15557 CC=CC(=O)N[C@H](COC)c1ccccc1 1626a_103619048568_100000210699 [0,1,1,0,0,0|2,0,0]=4 621 B16R1.15557 CC=CC(=O)N[C@H](COC)c1ccccc1 240690a_103619048568_100000210699 [0,1,1,0,0,0|2,0,0]=4 622 B16R1.15557 CCCC(NC(=O)C=CBr)c1ccccc1 1626a_100000189686_100016273825 [0,1,1,0,0,0|2,0,0]=4 623 B16R1.15557 CCCC(NC(=O)C=CBr)c1ccccc1 240690a_100000189686_100016273825 [0,1,1,0,0,0|2,0,0]=4 624 B16R1.15557 CCCC(NC(=O)C=CCl)c1ccccc1 11a_100000189686_200016279998 [0,1,1,0,0,0|2,0,0]=4 625 B16R1.15557 CCCC(NC(=O)C=CCl)c1ccccc1 1626a_100000189686_200016279998 [0,1,1,0,0,0|2,0,0]=4 626 B16R1.15557 CCCC(NC(=O)C=CCl)c1ccccc1 240690a_100000189686_200016279998 [0,1,1,0,0,0|2,0,0]=4 627 B16R1.15557 CCCC(NC(=O)C=CI)c1ccccc1 1626a_100000189686_100016256311 [0,1,1,0,0,0|2,0,0]=4 628 B16R1.15557 CCCC(NC(=O)NCC)c1ccccc1 2708a_100000189686_100015525214 [0,1,1,0,0,0|1,0,1]=4 629 B16R1.15557 CCCC(NC(=O)NCC)c1ccccc1 2708a_100015525214_100000189686 [0,1,1,0,0,0|1,0,1]=4 630 B16R1.15557 CCCC(NC(=O)NCC)c1ccccc1 273464a_100000189686_100015525214 [0,1,1,0,0,0|1,0,1]=4 631 B16R1.15557 CCCC(NC(=O)NCC)c1ccccc1 273464a_100015525214_100000189686 [0,1,1,0,0,0|1,0,1]=4 632 B16R1.15557 CCCC(NC(=O)NCC)c1ccccc1 512a_100000189686_100015525214 [0,1,1,0,0,0|1,0,1]=4 633 B16R1.15557 CCCC(NC(=O)NCC)c1ccccc1 512a_100015525214_100000189686 [0,1,1,0,0,0|1,0,1]=4 634 B16R1.15557 CCCC(NC(=O)NNC)c1ccccc1 273464a_100000189686_100016993582 [0,1,1,0,0,0|2,0,0]=4 635 B16R1.15557 CCCC(NC(=O)NNC)c1ccccc1 512a_100000189686_100016993582 [0,1,1,0,0,0|2,0,0]=4 636 B16R1.15557 CCCC(NC(=O)NNC)c1ccccc1 512a_100016993582_100000189686 [0,1,1,0,0,0|2,0,0]=4 637 B16R1.15557 CCNC(=O)N[C@@H](CCO)c1ccccc1 2708a_100015525214_100025705951 [0,1,1,0,0,0|1,0,1]=4 638 B16R1.15557 CCNC(=O)N[C@@H](CCO)c1ccccc1 273464a_100015525214_100025705951 [0,1,1,0,0,0|1,0,1]=4 639 B16R1.15557 CCNC(=O)N[C@@H](CCO)c1ccccc1 273464a_100025705951_100015525214 [0,1,1,0,0,0|1,0,1]=4 640 B16R1.15557 CCNC(=O)N[C@@H](CCO)c1ccccc1 512a_100015525214_100025705951 [0,1,1,0,0,0|1,0,1]=4 641 B16R1.15557 CCNC(=O)N[C@H](COC)c1ccccc1 2708a_100015525214_103619048568 [0,1,1,0,0,0|1,0,1]=4 642 B16R1.15557 CCNC(=O)N[C@H](COC)c1ccccc1 2708a_103619048568_100015525214 [0,1,1,0,0,0|1,0,1]=4 643 B16R1.15557 CCNC(=O)N[C@H](COC)c1ccccc1 273464a_100015525214_103619048568 [0,1,1,0,0,0|1,0,1]=4 644 B16R1.15557 CCNC(=O)N[C@H](COC)c1ccccc1 273464a_103619048568_100015525214 [0,1,1,0,0,0|1,0,1]=4 645 B16R1.15557 CCNC(=O)N[C@H](COC)c1ccccc1 512a_100015525214_103619048568 [0,1,1,0,0,0|1,0,1]=4 646 B16R1.15557 CCNC(=O)N[C@H](COC)c1ccccc1 512a_103619048568_100015525214 [0,1,1,0,0,0|1,0,1]=4 647 B16R1.15557 CNNC(=O)N[C@@H](CCO)c1ccccc1 273464a_100025705951_100016993582 [0,1,1,0,0,0|2,0,0]=4 648 B16R1.15557 CNNC(=O)N[C@@H](CCO)c1ccccc1 512a_100016993582_100025705951 [0,1,1,0,0,0|2,0,0]=4 649 B16R1.15557 CNNC(=O)N[C@H](COC)c1ccccc1 273464a_103619048568_100016993582 [0,1,1,0,0,0|2,0,0]=4 650 B16R1.15557 CNNC(=O)N[C@H](COC)c1ccccc1 512a_100016993582_103619048568 [0,1,1,0,0,0|2,0,0]=4 651 B16R1.15557 CNNC(=O)N[C@H](COC)c1ccccc1 512a_103619048568_100016993582 [0,1,1,0,0,0|2,0,0]=4 652 B16R1.15557 COC[C@@H](NC(=O)C=CBr)c1ccccc1 1626a_103619048568_100016273825 [0,1,1,0,0,0|2,0,0]=4 653 B16R1.15557 COC[C@@H](NC(=O)C=CBr)c1ccccc1 240690a_103619048568_100016273825 [0,1,1,0,0,0|2,0,0]=4 654 B16R1.15557 COC[C@@H](NC(=O)C=CCl)c1ccccc1 11a_103619048568_200016279998 [0,1,1,0,0,0|2,0,0]=4 655 B16R1.15557 COC[C@@H](NC(=O)C=CCl)c1ccccc1 1626a_103619048568_200016279998 [0,1,1,0,0,0|2,0,0]=4 656 B16R1.15557 COC[C@@H](NC(=O)C=CCl)c1ccccc1 240690a_103619048568_200016279998 [0,1,1,0,0,0|2,0,0]=4 657 B16R1.15557 COC[C@@H](NC(=O)C=CI)c1ccccc1 1626a_103619048568_100016256311 [0,1,1,0,0,0|2,0,0]=4 658 B16R1.15557 O=C(C=CBr)N[C@@H](CCO)c1ccccc1 240690a_100025705951_100016273825 [0,1,1,0,0,0|2,0,0]=4 659 B16R1.15557 O=C(C=CCl)N[C@@H](CCO)c1ccccc1 240690a_100025705951_200016279998 [0,1,1,0,0,0|2,0,0]=4 660 B16R1.15562 C=CCC(=O)N[C@@H](c1ccccc1)[C@H](C)O 11a_100134616770_100000210193 [0,1,1,0,0,0|2,0,0]=4 661 B16R1.15562 C=CCC(=O)N[C@@H](c1ccccc1)[C@H](C)O 240690a_100134616770_100000210193 [0,1,1,0,0,0|2,0,0]=4 662 B16R1.15562 C=CCC(=O)N[C@@H](c1ccccc1)[C@H](C)O 527a_100134616770_100000210193 [0,1,1,0,0,0|2,0,0]=4 663 B16R1.15562 C=CCC(=O)N[C@H](c1ccccc1)C(C)C 11a_100015186014_100000210193 [0,1,1,0,0,0|2,0,0]=4 664 B16R1.15562 C=CCC(=O)N[C@H](c1ccccc1)C(C)C 1626a_100015186014_100000210193 [0,1,1,0,0,0|2,0,0]=4 665 B16R1.15562 C=CCC(=O)N[C@H](c1ccccc1)C(C)C 240690a_100015186014_100000210193 [0,1,1,0,0,0|2,0,0]=4 666 B16R1.15562 C=CCC(=O)N[C@H](c1ccccc1)C(C)C 527a_100015186014_100000210193 [0,1,1,0,0,0|2,0,0]=4 667 B16R1.15562 CC(C)[C@H](NC(=O)C=CBr)c1ccccc1 1626a_100015186014_100016273825 [0,1,1,0,0,0|2,0,0]=4 668 B16R1.15562 CC(C)[C@H](NC(=O)C=CBr)c1ccccc1 240690a_100015186014_100016273825 [0,1,1,0,0,0|2,0,0]=4 669 B16R1.15562 CC(C)[C@H](NC(=O)C=CCl)c1ccccc1 11a_100015186014_200016279998 [0,1,1,0,0,0|2,0,0]=4 670 B16R1.15562 CC(C)[C@H](NC(=O)C=CCl)c1ccccc1 1626a_100015186014_200016279998 [0,1,1,0,0,0|2,0,0]=4 671 B16R1.15562 CC(C)[C@H](NC(=O)C=CCl)c1ccccc1 240690a_100015186014_200016279998 [0,1,1,0,0,0|2,0,0]=4 672 B16R1.15562 CC(C)[C@H](NC(=O)C=CI)c1ccccc1 1626a_100015186014_100016256311 [0,1,1,0,0,0|2,0,0]=4 673 B16R1.15562 CC=CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 11a_100134616770_100000210699 [0,1,1,0,0,0|2,0,0]=4 674 B16R1.15562 CC=CC(=O)N[C@@H](c1ccccc1)[C@H](C)O 240690a_100134616770_100000210699 [0,1,1,0,0,0|2,0,0]=4 675 B16R1.15562 CC=CC(=O)N[C@H](c1ccccc1)C(C)C 11a_100015186014_100000210699 [0,1,1,0,0,0|2,0,0]=4 676 B16R1.15562 CC=CC(=O)N[C@H](c1ccccc1)C(C)C 1626a_100015186014_100000210699 [0,1,1,0,0,0|2,0,0]=4 677 B16R1.15562 CC=CC(=O)N[C@H](c1ccccc1)C(C)C 240690a_100015186014_100000210699 [0,1,1,0,0,0|2,0,0]=4 678 B16R1.15562 CCNC(=O)N[C@@H](c1ccccc1)[C@H](C)O 2708a_100015525214_100134616770 [0,1,1,0,0,0|1,0,1]=4 679 B16R1.15562 CCNC(=O)N[C@@H](c1ccccc1)[C@H](C)O 273464a_100015525214_100134616770 [0,1,1,0,0,0|1,0,1]=4 680 B16R1.15562 CCNC(=O)N[C@@H](c1ccccc1)[C@H](C)O 512a_100015525214_100134616770 [0,1,1,0,0,0|1,0,1]=4 681 B16R1.15562 CCNC(=O)N[C@H](c1ccccc1)C(C)C 2708a_100015186014_100015525214 [0,1,1,0,0,0|1,0,1]=4 682 B16R1.15562 CCNC(=O)N[C@H](c1ccccc1)C(C)C 2708a_100015525214_100015186014 [0,1,1,0,0,0|1,0,1]=4 683 B16R1.15562 CCNC(=O)N[C@H](c1ccccc1)C(C)C 273464a_100015186014_100015525214 [0,1,1,0,0,0|1,0,1]=4 684 B16R1.15562 CCNC(=O)N[C@H](c1ccccc1)C(C)C 273464a_100015525214_100015186014 [0,1,1,0,0,0|1,0,1]=4 685 B16R1.15562 CCNC(=O)N[C@H](c1ccccc1)C(C)C 512a_100015186014_100015525214 [0,1,1,0,0,0|1,0,1]=4 686 B16R1.15562 CCNC(=O)N[C@H](c1ccccc1)C(C)C 512a_100015525214_100015186014 [0,1,1,0,0,0|1,0,1]=4 687 B16R1.15562 CNNC(=O)N[C@@H](c1ccccc1)[C@H](C)O 512a_100016993582_100134616770 [0,1,1,0,0,0|2,0,0]=4 688 B16R1.15562 CNNC(=O)N[C@H](c1ccccc1)C(C)C 273464a_100015186014_100016993582 [0,1,1,0,0,0|2,0,0]=4 689 B16R1.15562 CNNC(=O)N[C@H](c1ccccc1)C(C)C 512a_100015186014_100016993582 [0,1,1,0,0,0|2,0,0]=4 690 B16R1.15562 CNNC(=O)N[C@H](c1ccccc1)C(C)C 512a_100016993582_100015186014 [0,1,1,0,0,0|2,0,0]=4 691 B16R1.15562 C[C@H](O)[C@@H](NC(=O)C=CBr)c1ccccc1 240690a_100134616770_100016273825 [0,1,1,0,0,0|2,0,0]=4 692 B16R1.15562 C[C@H](O)[C@@H](NC(=O)C=CCl)c1ccccc1 11a_100134616770_200016279998 [0,1,1,0,0,0|2,0,0]=4 693 B16R1.15562 C[C@H](O)[C@@H](NC(=O)C=CCl)c1ccccc1 240690a_100134616770_200016279998 [0,1,1,0,0,0|2,0,0]=4 694 B16R1.710 CCCN(C(=O)CC(=O)N)c1ccccc1 22a_200011218496_100134613110 [0,1,1,0,0,0|2,0,0]=4 695 B16R1.710 CCNC(C(=O)NC(=O)N)c1ccccc1 2230a_100015525214_100000010812 [0,1,1,0,0,0|0,0,0]=2 696 B16R1.710 CCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000010812_100000210202 [0,1,1,0,0,0|0,0,0]=2 697 B16R1.710 CCSC(C(=O)NC(=O)N)c1ccccc1 62a_100000210202_100000010812 [0,1,1,0,0,0|0,0,0]=2 698 B16R1.710 NC(=O)CC(=O)C(CCCl)c1ccccc1 1458a_100134613110_200010132975 [0,1,1,0,0,0|1,0,0]=3 699 B16R1.710 NC(=O)CC(=O)N(CCO)c1ccccc1 22a_100000211345_100134613110 [0,1,1,0,0,0|2,0,0]=4 700 B16R1.710 NC(=O)NC(=O)C(SCF)c1ccccc1 62a_100000010812_100015361967 [0,1,1,0,0,0|1,0,0]=3 701 B16R1.710 NC(=O)NC(=O)C(SCF)c1ccccc1 62a_100015361967_100000010812 [0,1,1,0,0,0|1,0,0]=3 702 B16R1.859 CCC(=O)CC(=O)C(CC)c1ccccc1 1458a_100000211302_100000747405 [0,1,1,0,0,0|2,0,0]=4 703 B16R1.859 CCC(C(=O)CC(=O)NC)c1ccccc1 1458a_100000211302_100000183359 [0,1,1,0,0,0|1,0,0]=3 704 B16R1.859 CCC(C(=O)CC(=O)OC)c1ccccc1 1458a_100000211302_100000747449 [0,1,1,0,0,0|2,0,0]=4 705 B16R1.859 CNC(=O)CC(=O)C(CO)c1ccccc1 1458a_100011218805_100000183359 [0,1,1,0,0,0|2,0,0]=4 706 B16R1.859 CNC(=O)CC(=O)[C@H](OC)c1ccccc1 1458a_100000698336_100000183359 [0,1,1,0,0,0|2,0,0]=4 707 B16R1.1674 CC(C(=O)N)C(=O)C(CO)c1ccccc1 1458a_100011218805_100000702099 [0,1,1,0,0,0|2,0,0]=4 708 B16R1.1674 CCC(C(=O)C(C)C(=O)C)c1ccccc1 1458a_100000211302_100000179758 [0,1,1,0,0,0|2,0,0]=4 709 B16R1.1674 CCC(C(=O)C(C)C(=O)N)c1ccccc1 1458a_100000211302_100000702099 [0,1,1,0,0,0|1,0,0]=3 710 B16R1.1674 CCC(C(=O)C(F)C(=O)N)c1ccccc1 1458a_100000211302_100009813875 [0,1,1,0,0,0|1,0,0]=3 711 B16R1.1674 CCC(C(=O)C(F)C(=O)[O-])c1ccccc1 1458a_100000211302_100020610796 [0,1,1,0,0,0|2,0,0]=4 712 B16R1.1674 CO[C@@H](C(=O)C(C)C(=O)N)c1ccccc1 1458a_100000698336_100000702099 [0,1,1,0,0,0|2,0,0]=4 713 B16R1.1674 CO[C@@H](C(=O)C(F)C(=O)N)c1ccccc1 1458a_100000698336_100009813875 [0,1,1,0,0,0|2,0,0]=4 714 B16R1.1674 NC(=O)C(F)C(=O)C(CO)c1ccccc1 1458a_100011218805_100009813875 [0,1,1,0,0,0|2,0,0]=4 715 B16R1.3023 CCC(C(=O)CC(=O)N)c1ccc(cc1)Br 1458a_100011934198_100000187820 [0,1,1,0,0,0|1,0,0]=3 716 B16R1.3023 CCC(C(=O)CC(=O)[O-])c1ccc(cc1)Br 1458a_100011934198_100020667443 [0,1,1,0,0,0|2,0,0]=4 717 B16R1.3023 CCN(C(=O)CC(=O)N)c1ccc(cc1)Br 22a_100000219632_100134613110 [0,1,1,0,0,0|2,0,0]=4 718 B16R1.3023 CCN(C(=O)CC(=O)N)c1ccc(cc1)C 22a_100000219985_100134613110 [0,1,1,0,0,0|2,0,0]=4 719 B16R1.3023 CCN(C(=O)CC(=O)N)c1ccc(cc1)Cl 22a_100000220165_100134613110 [0,1,1,0,0,0|2,0,0]=4 720 B16R1.3023 CCN(C(=O)CC(=O)N)c1ccc(cc1)F 22a_100102640331_100134613110 [0,1,1,0,0,0|2,0,0]=4 721 B16R1.3023 CCN(C(=O)CC(=O)N)c1ccc(cc1)O 22a_100011337800_100134613110 [0,1,1,0,0,0|2,0,0]=4 722 B16R1.3023 COC(C(=O)CC(=O)N)c1ccc(cc1)Cl 1458a_100012350483_100000187820 [0,1,1,0,0,0|2,0,0]=4 723 B16R1.3222 CCN(C(=O)CC(=O)N)c1cccc(c1)Br 22a_100000738899_100134613110 [0,1,1,0,0,0|2,0,0]=4 724 B16R1.3222 CCN(C(=O)CC(=O)N)c1cccc(c1)C 22a_100000182157_100134613110 [0,1,1,0,0,0|2,0,0]=4 725 B16R1.3222 COC(C(=O)CC(=O)N)c1cccc(c1)Cl 1458a_100012350482_100000187820 [0,1,1,0,0,0|2,0,0]=4 726 B16R1.3315 CCC(C(=O)CS(=O)(=O)N)c1ccccc1 1458a_100000211302_100000741382 [0,1,1,0,0,0|2,0,0]=4 727 B16R1.3315 CCC(C(=O)NS(=O)(=O)C)c1ccccc1 2740a_100000171171_100000211302 [0,1,1,0,0,0|2,0,0]=4 728 B16R1.3316 CCC(C(=O)CC(=O)N)c1ccccc1Cl 1458a_100011667493_100000187820 [0,1,1,0,0,0|1,0,0]=3 729 B16R1.3316 CCC(C(=O)CC(=O)[O-])c1ccccc1Cl 1458a_100011667493_100020667443 [0,1,1,0,0,0|2,0,0]=4 730 B16R1.3316 CCN(C(=O)CC(=O)N)c1ccccc1C 22a_100000211084_100134613110 [0,1,1,0,0,0|2,0,0]=4 731 B16R1.3316 CCN(C(=O)CC(=O)N)c1ccccc1O 22a_103624766699_100134613110 [0,1,1,0,0,0|2,0,0]=4 732 B16R1.3316 COC(C(=O)CC(=O)N)c1ccccc1C 1458a_100012277922_100000187820 [0,1,1,0,0,0|2,0,0]=4 733 B16R1.3316 COC(C(=O)CC(=O)N)c1ccccc1F 1458a_100012277919_100000187820 [0,1,1,0,0,0|2,0,0]=4 734 B16R1.5510 CCC(O)(C(=O)CC(=O)N)c1ccccc1 1458a_100011434905_100000187820 [0,1,1,0,0,0|1,0,0]=3 735 B16R1.5510 CCC(O)(C(=O)CC(=O)[O-])c1ccccc1 1458a_100011434905_100020667443 [0,1,1,0,0,0|2,0,0]=4 736 B16R1.58978 CC(=O)C(C(=O)CC(=O)N)c1ccccc1 1458a_100134613110_100009888967 [0,1,1,0,0,0|1,0,1]=4 737 B16R1.58978 CC(=O)C(C(=O)NC(=O)N)c1ccccc1 1458a_100000070787_100000010812 [0,1,1,0,0,0|0,0,1]=3 738 B16R1.58978 CC(C)C(C(=O)CC(=O)N)c1ccccc1 1458a_100000764467_100000187820 [0,1,1,0,0,0|1,0,0]=3 739 B16R1.58978 CC(C)C(C(=O)CC(=O)[O-])c1ccccc1 1458a_100000764467_100020667443 [0,1,1,0,0,0|2,0,0]=4 740 B16R1.58978 CN(C)C(C(=O)CC(=O)N)c1ccccc1 1458a_100000743987_100000187820 [0,1,1,0,0,0|2,0,0]=4 741 B16R1.58978 CN(C)C(C(=O)NC(=O)N)c1ccccc1 2230a_100102631434_100000010812 [0,1,1,0,0,0|1,0,0]=3 742 B16R1.58978 CN(C)C(C(=O)NC(=O)N)c1ccccc1 269982a_100102631434_100000010812 [0,1,1,0,0,0|1,0,0]=3 743 B16R1.25992 C=CCNC(CC)(C(=O)O)c1ccccc1 269956a_100000752917_100000210623 [0,1,1,0,0,0|2,0,0]=4 744 B16R1.25992 CCC(NCC=O)(C(=O)O)c1ccccc1 269956a_100000752917_200015260668 [0,1,1,0,0,0|1,0,0]=3 745 B16R1.7875 C=CCNC(=O)C(O)(CC)c1ccccc1 240690a_100020586998_100011434905 [0,1,1,0,0,0|2,0,0]=4 746 B16R1.6723 CCC(CC)(NC(=O)NC)c1ccccc1 2708a_100102657272_100020617177 [0,1,1,0,0,0|1,0,1]=4 747 B16R1.6723 CCC(CC)(NC(=O)NC)c1ccccc1 273464a_100020617177_100102657272 [0,1,1,0,0,0|1,0,1]=4 748 B16R1.6723 CCC(CC)(NC(=O)NC)c1ccccc1 273464a_100102657272_100020617177 [0,1,1,0,0,0|1,0,1]=4 749 B16R1.6723 CCC(CC)(NC(=O)NC)c1ccccc1 512a_100020617177_100102657272 [0,1,1,0,0,0|1,0,1]=4 750 B16R1.6723 CCC(CC)(NC(=O)NC)c1ccccc1 512a_106832991638_100020617177 [0,1,1,0,0,0|1,0,1]=4 751 B16R2.80686 CC1(NC(=O)NC1=O)c2cccc(c2)O 271570a_203496583355_200000182961 [1,1,0,0,0,0|0,0,0]=2 752 B16R2.84020 CC1(NC(=O)NC1=O)c2ccccc2O 271570a_203496583355_100000184296 [1,1,0,0,0,0|0,0,0]=2 753 B16R2.167681 CC1(NC(=O)NC1=O)c2ccc(cc2)O 271570a_203496583355_100000217516 [1,1,0,0,0,0|0,0,0]=2 754 B16R2.5 C=CCC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100000210193 [0,0,1,1,0,0|2,0,0]=4 755 B16R2.5 C=CCC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000210193 [0,0,1,1,0,0|2,0,0]=4 756 B16R2.5 C=CCC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000210193 [0,0,1,1,0,0|2,0,0]=4 757 B16R2.5 C=CCC(=O)N[C@H]1CCc2c1cccc2 527a_100016989578_100000210193 [0,0,1,1,0,0|2,0,0]=4 758 B16R2.5 CC=CC(=O)N[C@H]1CCc2c1cccc2 11a_100016989578_100000210699 [0,0,1,1,0,0|2,0,0]=4 759 B16R2.5 CC=CC(=O)N[C@H]1CCc2c1cccc2 1626a_100016989578_100000210699 [0,0,1,1,0,0|2,0,0]=4 760 B16R2.5 CC=CC(=O)N[C@H]1CCc2c1cccc2 240690a_100016989578_100000210699 [0,0,1,1,0,0|2,0,0]=4 761 B16R2.5 CCNC(=O)N[C@H]1CCc2c1cccc2 2708a_100015525214_100016989578 [0,0,1,1,0,0|1,0,1]=4 762 B16R2.5 CCNC(=O)N[C@H]1CCc2c1cccc2 2708a_100016989578_100015525214 [0,0,1,1,0,0|1,0,1]=4 763 B16R2.5 CCNC(=O)N[C@H]1CCc2c1cccc2 273464a_100015525214_100016989578 [0,0,1,1,0,0|1,0,1]=4 764 B16R2.5 CCNC(=O)N[C@H]1CCc2c1cccc2 273464a_100016989578_100015525214 [0,0,1,1,0,0|1,0,1]=4 765 B16R2.5 CCNC(=O)N[C@H]1CCc2c1cccc2 512a_100015525214_100016989578 [0,0,1,1,0,0|1,0,1]=4 766 B16R2.5 CCNC(=O)N[C@H]1CCc2c1cccc2 512a_100016989578_100015525214 [0,0,1,1,0,0|1,0,1]=4 767 B16R2.5 CNNC(=O)N[C@H]1CCc2c1cccc2 273464a_100016989578_100016993582 [0,0,1,1,0,0|2,0,0]=4 768 B16R2.5 CNNC(=O)N[C@H]1CCc2c1cccc2 512a_100016989578_100016993582 [0,0,1,1,0,0|2,0,0]=4 769 B16R2.5 CNNC(=O)N[C@H]1CCc2c1cccc2 512a_100016993582_100016989578 [0,0,1,1,0,0|2,0,0]=4 770 B16R2.5 O=C(C=CBr)N[C@H]1CCc2c1cccc2 1626a_100016989578_100016273825 [0,0,1,1,0,0|2,0,0]=4 771 B16R2.5 O=C(C=CBr)N[C@H]1CCc2c1cccc2 240690a_100016989578_100016273825 [0,0,1,1,0,0|2,0,0]=4 772 B16R2.5 O=C(C=CCl)N[C@H]1CCc2c1cccc2 11a_100016989578_200016279998 [0,0,1,1,0,0|2,0,0]=4 773 B16R2.5 O=C(C=CCl)N[C@H]1CCc2c1cccc2 1626a_100016989578_200016279998 [0,0,1,1,0,0|2,0,0]=4 774 B16R2.5 O=C(C=CCl)N[C@H]1CCc2c1cccc2 240690a_100016989578_200016279998 [0,0,1,1,0,0|2,0,0]=4 775 B16R2.5 O=C(C=CI)N[C@H]1CCc2c1cccc2 1626a_100016989578_100016256311 [0,0,1,1,0,0|2,0,0]=4 776 B16R2.766 C=CCC(=O)N1CCC1c2ccccc2 11a_100000739605_100000210193 [0,0,1,1,0,0|2,0,0]=4 777 B16R2.766 C=CCC(=O)N1CCC1c2ccccc2 1626a_100000739605_100000210193 [0,0,1,1,0,0|2,0,0]=4 778 B16R2.766 C=CCC(=O)N1CCC1c2ccccc2 240690a_100000739605_100000210193 [0,0,1,1,0,0|2,0,0]=4 779 B16R2.766 C=CCC(=O)N1CCC1c2ccccc2 527a_100000739605_100000210193 [0,0,1,1,0,0|2,0,0]=4 780 B16R2.766 CC=CC(=O)N1CCC1c2ccccc2 11a_100000739605_100000210699 [0,0,1,1,0,0|2,0,0]=4 781 B16R2.766 CC=CC(=O)N1CCC1c2ccccc2 1626a_100000739605_100000210699 [0,0,1,1,0,0|2,0,0]=4 782 B16R2.766 CC=CC(=O)N1CCC1c2ccccc2 240690a_100000739605_100000210699 [0,0,1,1,0,0|2,0,0]=4 783 B16R2.766 CCNC(=O)N1CCC1c2ccccc2 2708a_100015525214_100000739605 [0,0,1,1,0,0|1,0,1]=4 784 B16R2.766 CCNC(=O)N1CCC1c2ccccc2 273464a_100015525214_100000739605 [0,0,1,1,0,0|1,0,1]=4 785 B16R2.766 O=C(C=CBr)N1CCC1c2ccccc2 1626a_100000739605_100016273825 [0,0,1,1,0,0|2,0,0]=4 786 B16R2.766 O=C(C=CBr)N1CCC1c2ccccc2 240690a_100000739605_100016273825 [0,0,1,1,0,0|2,0,0]=4 787 B16R2.766 O=C(C=CCl)N1CCC1c2ccccc2 11a_100000739605_200016279998 [0,0,1,1,0,0|2,0,0]=4 788 B16R2.766 O=C(C=CCl)N1CCC1c2ccccc2 1626a_100000739605_200016279998 [0,0,1,1,0,0|2,0,0]=4 789 B16R2.766 O=C(C=CCl)N1CCC1c2ccccc2 240690a_100000739605_200016279998 [0,0,1,1,0,0|2,0,0]=4 790 B16R2.766 O=C(C=CI)N1CCC1c2ccccc2 1626a_100000739605_100016256311 [0,0,1,1,0,0|2,0,0]=4 791 B16R2.2160 C=CCC(=O)NC1(CC1)c2ccccc2 11a_100000749958_100000210193 [0,0,1,1,0,0|2,0,0]=4 792 B16R2.2160 C=CCC(=O)NC1(CC1)c2ccccc2 1626a_100000749958_100000210193 [0,0,1,1,0,0|2,0,0]=4 793 B16R2.2160 C=CCC(=O)NC1(CC1)c2ccccc2 240690a_100000749958_100000210193 [0,0,1,1,0,0|2,0,0]=4 794 B16R2.2160 C=CCC(=O)NC1(CC1)c2ccccc2 527a_100000749958_100000210193 [0,0,1,1,0,0|2,0,0]=4 795 B16R2.2160 CC=CC(=O)NC1(CC1)c2ccccc2 11a_100000749958_100000210699 [0,0,1,1,0,0|2,0,0]=4 796 B16R2.2160 CC=CC(=O)NC1(CC1)c2ccccc2 1626a_100000749958_100000210699 [0,0,1,1,0,0|2,0,0]=4 797 B16R2.2160 CC=CC(=O)NC1(CC1)c2ccccc2 240690a_100000749958_100000210699 [0,0,1,1,0,0|2,0,0]=4 798 B16R2.2160 CCNC(=O)NC1(CC1)c2ccccc2 2708a_100015525214_100000749958 [0,0,1,1,0,0|1,0,1]=4 799 B16R2.2160 CCNC(=O)NC1(CC1)c2ccccc2 273464a_100000749958_100015525214 [0,0,1,1,0,0|1,0,1]=4 800 B16R2.2160 CCNC(=O)NC1(CC1)c2ccccc2 273464a_100015525214_100000749958 [0,0,1,1,0,0|1,0,1]=4 801 B16R2.2160 CCNC(=O)NC1(CC1)c2ccccc2 512a_100015525214_100000749958 [0,0,1,1,0,0|1,0,1]=4 802 B16R2.2160 CNNC(=O)NC1(CC1)c2ccccc2 273464a_100000749958_100016993582 [0,0,1,1,0,0|2,0,0]=4 803 B16R2.2160 CNNC(=O)NC1(CC1)c2ccccc2 512a_100016993582_100000749958 [0,0,1,1,0,0|2,0,0]=4 804 B16R2.2160 O=C(C=CBr)NC1(CC1)c2ccccc2 1626a_100000749958_100016273825 [0,0,1,1,0,0|2,0,0]=4 805 B16R2.2160 O=C(C=CBr)NC1(CC1)c2ccccc2 240690a_100000749958_100016273825 [0,0,1,1,0,0|2,0,0]=4 806 B16R2.2160 O=C(C=CCl)NC1(CC1)c2ccccc2 11a_100000749958_200016279998 [0,0,1,1,0,0|2,0,0]=4 807 B16R2.2160 O=C(C=CCl)NC1(CC1)c2ccccc2 1626a_100000749958_200016279998 [0,0,1,1,0,0|2,0,0]=4 808 B16R2.2160 O=C(C=CCl)NC1(CC1)c2ccccc2 240690a_100000749958_200016279998 [0,0,1,1,0,0|2,0,0]=4 809 B16R2.2160 O=C(C=CI)NC1(CC1)c2ccccc2 1626a_100000749958_100016256311 [0,0,1,1,0,0|2,0,0]=4 810 B16R2.6164 Cc1c([nH]c(=O)[nH]c1=O)c2ccccc2 271570a_100011218836_200009866310 [0,0,1,1,0,0|0,0,2]=4 811 B16R2.520 NC(=O)CC(=O)C1CCc2c1cccc2 1458a_100000750891_100000187820 [0,0,1,1,0,0|1,0,0]=3 812 B16R2.520 O=C([O-])CC(=O)C1CCc2c1cccc2 1458a_100000750891_100020667443 [0,0,1,1,0,0|2,0,0]=4 813 B16R2.11596 NC(=O)CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100000187820 [0,0,1,1,0,0|1,0,0]=3 814 B16R2.11596 NC(=O)CC(=O)C1(CC1)c2ccccn2 1458a_106256046498_100000187820 [0,0,1,1,0,0|2,0,0]=4 815 B16R2.11596 NC(=O)CC(=O)C1(CC1)c2cccnc2 1458a_100000717079_100000187820 [0,0,1,1,0,0|2,0,0]=4 816 B16R2.11596 O=C([O-])CC(=O)C1(CC1)c2ccccc2 1458a_100000211650_100020667443 [0,0,1,1,0,0|2,0,0]=4 817 B18R3.427090 O=C1NC(=O)[C@@]2(N1)CCc3c2ccc(c3)O 271570a_203496583355_100161106515 [0,1,0,1,0,0|0,0,0]=2 818 B14R1.1027 CCN(C(=O)C(=O)N)c1ccccc1 22a_100000210013_100011215815 [0,0,1,0,1,0|1,0,0]=3 819 B16R1.13666 C=COC(=O)CNC(CC)c1ccccc1 2230a_100000737752_100000036128 [0,0,1,0,0,1|2,0,0]=4 820 B16R1.13666 CCC(NCC(=O)NCO)c1ccccc1 2230a_100000737752_100000185155 [0,0,1,0,0,1|0,0,2]=4 821 B16R1.13666 CCNC(=O)CNC(CC)c1ccccc1 2230a_100000737752_100000183381 [0,0,1,0,0,1|1,0,1]=4 822 B16R1.750 CCC(Oc1ccccc1)C(=O)CC(=O)N 1458a_100000211556_100000187820 [0,0,1,0,0,1|1,0,0]=3 823 B16R1.750 CCC(Oc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000211556_100020667443 [0,0,1,0,0,1|2,0,0]=4 824 B16R1.750 CCC(Sc1ccccc1)C(=O)CC(=O)N 1458a_100000230495_100000187820 [0,0,1,0,0,1|1,0,0]=3 825 B16R1.750 CCC(Sc1ccccc1)C(=O)CC(=O)[O-] 1458a_100000230495_100020667443 [0,0,1,0,0,1|2,0,0]=4 826 B16R1.750 CCN(Cc1ccccc1)C(=O)CC(=O)N 240690a_100000186914_100134613110 [0,0,1,0,0,1|2,0,0]=4 827 B16R1.750 CCN(Cc1ccccc1)C(=O)CC(=O)N 527a_100000186914_100134613110 [0,0,1,0,0,1|2,0,0]=4 828 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 11a_100000765925_100000211302 [0,0,1,0,0,1|2,0,0]=4 829 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 1626a_100000765925_100000211302 [0,0,1,0,0,1|2,0,0]=4 830 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 240690a_100000765925_100000211302 [0,0,1,0,0,1|2,0,0]=4 831 B16R1.1673 C=C(C)CNC(=O)C(CC)c1ccccc1 527a_100000765925_100000211302 [0,0,1,0,0,1|2,0,0]=4 832 B16R1.1673 CC(=O)NNC(=O)C(CO)c1ccccc1 22a_100000189765_100011218805 [0,0,1,0,0,1|2,0,0]=4 833 B16R1.1673 CCC(C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000211302 [0,0,1,0,0,1|0,0,0]=2 834 B16R1.1673 CCC(C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000211302 [0,0,1,0,0,1|0,0,0]=2 835 B16R1.1673 CCC(C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000211302 [0,0,1,0,0,1|0,0,0]=2 836 B16R1.1673 CCC(C(=O)NNC(=O)C)c1ccccc1 22a_100000189765_100000211302 [0,0,1,0,0,1|1,0,0]=3 837 B16R1.1673 CCC(C(=O)NNC(=O)C)c1ccccc1 22a_100000189840_100000070787 [0,0,1,0,0,1|1,0,0]=3 838 B16R1.1673 CCN(C(=O)CCC(=O)N)c1ccccc1 22a_100000210013_100011215257 [0,0,1,0,0,1|2,0,0]=4 839 B16R1.1673 CCN(C(=O)CNC(=O)C)c1ccccc1 11a_100000210013_100000194580 [0,0,1,0,0,1|2,0,0]=4 840 B16R1.1673 CCN(C(=O)CNC(=O)C)c1ccccc1 1626a_100000210013_100000194580 [0,0,1,0,0,1|2,0,0]=4 841 B16R1.1673 CCN(C(=O)CNC(=O)C)c1ccccc1 22a_100000210013_100000194580 [0,0,1,0,0,1|2,0,0]=4 842 B16R1.1673 CCN(C(=O)CNC(=O)N)c1ccccc1 22a_100000210013_100000184981 [0,0,1,0,0,1|1,0,0]=3 843 B16R1.1673 CN[C@H](C(=O)NCC(=O)O)c1ccccc1 269956a_200012352031_200000210301 [0,0,1,0,0,1|2,0,0]=4 844 B16R1.1673 CO[C@@H](C(=O)NCC(=O)N)c1ccccc1 11a_100000711301_100000698336 [0,0,1,0,0,1|1,0,0]=3 845 B16R1.1673 CO[C@@H](C(=O)NCC(=O)N)c1ccccc1 240690a_100000711301_100000698336 [0,0,1,0,0,1|1,0,0]=3 846 B16R1.1673 CO[C@@H](C(=O)NCC(=O)N)c1ccccc1 527a_100000711301_100000698336 [0,0,1,0,0,1|1,0,0]=3 847 B16R1.1673 CO[C@@H](C(=O)NNC(=O)C)c1ccccc1 22a_100000189765_100000698336 [0,0,1,0,0,1|2,0,0]=4 848 B16R1.1673 NC(=O)CNC(=O)C(CO)c1ccccc1 240690a_100000711301_100011218805 [0,0,1,0,0,1|1,0,0]=3 849 B16R1.1673 [13CH3]N[C@H](C(=O)NCC(=O)O)c1ccccc1 269956a_200012352031_200025704644 [0,0,1,0,0,1|2,0,0]=4 850 B16R1.66737 CCC(CC)(NCC(=O)N)c1ccccc1 2230a_100020617177_100000747473 [0,0,1,0,0,1|1,0,1]=4