0 B15R2.6 C=C(C)COc1csc2c1cccc2 34a_100000077758_100000748629 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.6 C=C(C)COc1csc2c1cccc2 7a_100000077758_100000748629 [0,0,0,0,0,0|4,0,0]=4 2 B15R2.6 C=C(C)CSc1c[nH]c2c1cccn2 62a_100000748629_100011934613 [0,0,0,0,0,0|4,0,0]=4 3 B15R2.6 C=C(C)CSc1c[nH]c2c1ccnc2 62a_100000748629_100010232032 [0,0,0,0,0,0|4,0,0]=4 4 B15R2.6 C=C(C)CSc1c[nH]c2c1cncc2 62a_100000748629_100000753697 [0,0,0,0,0,0|4,0,0]=4 5 B15R2.6 C=C(C)CSc1c[nH]c2c1nccc2 62a_100000748629_100009817151 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.6 C=C(C)CSc1coc2c1cccc2 62a_100000748629_100009812202 [0,0,0,0,0,0|4,0,0]=4 7 B15R2.6 C=C(C)CSc1csc2c1cccc2 62a_100000748629_100009813928 [0,0,0,0,0,0|4,0,0]=4 8 B15R2.6 C=C(C)CSc1n[nH]c2c1cccc2 62a_100000748629_100000050141 [0,0,0,0,0,0|4,0,0]=4 9 B15R2.6 C=C(F)COc1csc2c1cccc2 34a_100000077758_100009893438 [0,0,0,0,0,0|4,0,0]=4 10 B15R2.6 C=C(F)COc1csc2c1cccc2 7a_100000077758_100000042424 [0,0,0,0,0,0|4,0,0]=4 11 B15R2.6 C=C(F)CSc1c[nH]c2c1cccn2 62a_100000042424_100011934613 [0,0,0,0,0,0|4,0,0]=4 12 B15R2.6 C=C(F)CSc1c[nH]c2c1ccnc2 62a_100000042424_100010232032 [0,0,0,0,0,0|4,0,0]=4 13 B15R2.6 C=C(F)CSc1c[nH]c2c1cncc2 62a_100000042424_100000753697 [0,0,0,0,0,0|4,0,0]=4 14 B15R2.6 C=C(F)CSc1c[nH]c2c1nccc2 62a_100000042424_100009817151 [0,0,0,0,0,0|4,0,0]=4 15 B15R2.6 C=C(F)CSc1coc2c1cccc2 62a_100000042424_100009812202 [0,0,0,0,0,0|4,0,0]=4 16 B15R2.6 C=C(F)CSc1csc2c1cccc2 62a_100000042424_100009813928 [0,0,0,0,0,0|4,0,0]=4 17 B15R2.6 C=C(F)CSc1n[nH]c2c1cccc2 62a_100000042424_100000050141 [0,0,0,0,0,0|4,0,0]=4 18 B15R2.6 CC(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_200000210301 [0,0,0,0,0,0|1,0,2]=3 19 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000070787_100011218569 [0,0,0,0,0,0|1,0,0]=1 20 B15R2.6 CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200000210301 [0,0,0,0,0,0|1,0,0]=1 21 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000070787_100009895007 [0,0,0,0,0,0|2,0,0]=2 22 B15R2.6 CC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200000210301 [0,0,0,0,0,0|2,0,0]=2 23 B15R2.6 CC(=O)CCn1ccc2c1cccc2 1458a_100000186764_200000210301 [0,0,0,0,0,0|3,0,0]=3 24 B15R2.6 CC(=O)CCn1cnc2c1cccc2 1458a_100000177575_200000210301 [0,0,0,0,0,0|2,0,1]=3 25 B15R2.6 CC(=O)CCn1nnc2c1cccc2 1458a_200000208482_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B15R2.6 CC(=O)NCc1[nH]nc2c1cccc2 240690a_100011642502_100015343762 [0,0,0,0,0,0|3,0,1]=4 27 B15R2.6 CC(=O)NCc1[nH]nc2c1cccc2 527a_100011642502_100103153847 [0,0,0,0,0,0|3,0,1]=4 28 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100015343762 [0,0,0,0,0,0|2,0,0]=2 29 B15R2.6 CC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100103153847 [0,0,0,0,0,0|2,0,0]=2 30 B15R2.6 CC(=O)NCc1cnc2n1cccc2 1626a_100015187830_100015343762 [0,0,0,0,0,0|3,0,1]=4 31 B15R2.6 CC(=O)NCc1cnc2n1cccc2 240690a_100015187830_100015343762 [0,0,0,0,0,0|3,0,1]=4 32 B15R2.6 CC(=O)NCc1cnc2n1cccc2 527a_100015187830_100103153847 [0,0,0,0,0,0|3,0,1]=4 33 B15R2.6 CC(=O)NCc1csc2c1cccc2 11a_100000744611_100015343762 [0,0,0,0,0,0|3,0,0]=3 34 B15R2.6 CC(=O)NCc1csc2c1cccc2 1626a_100000744611_100015343762 [0,0,0,0,0,0|3,0,0]=3 35 B15R2.6 CC(=O)NCc1csc2c1cccc2 240690a_100000744611_100015343762 [0,0,0,0,0,0|3,0,0]=3 36 B15R2.6 CC(=O)NCc1csc2c1cccc2 527a_100000744611_100103153847 [0,0,0,0,0,0|3,0,0]=3 37 B15R2.6 CC(O)COc1csc2c1cccc2 34a_100000077758_100011218427 [0,0,0,0,0,0|3,0,1]=4 38 B15R2.6 CC(O)COc1csc2c1cccc2 7a_100000077758_100011218427 [0,0,0,0,0,0|3,0,1]=4 39 B15R2.6 CC(O)CSc1c[nH]c2c1cccn2 62a_100011218427_100011934613 [0,0,0,0,0,0|3,0,1]=4 40 B15R2.6 CC(O)CSc1c[nH]c2c1ccnc2 62a_100011218427_100010232032 [0,0,0,0,0,0|3,0,1]=4 41 B15R2.6 CC(O)CSc1c[nH]c2c1cncc2 62a_100011218427_100000753697 [0,0,0,0,0,0|3,0,1]=4 42 B15R2.6 CC(O)CSc1c[nH]c2c1nccc2 62a_100011218427_100009817151 [0,0,0,0,0,0|3,0,1]=4 43 B15R2.6 CC(O)CSc1coc2c1cccc2 62a_100011218427_100009812202 [0,0,0,0,0,0|3,0,1]=4 44 B15R2.6 CC(O)CSc1csc2c1cccc2 62a_100011218427_100009813928 [0,0,0,0,0,0|3,0,1]=4 45 B15R2.6 CC(O)CSc1n[nH]c2c1cccc2 62a_100011218427_100000050141 [0,0,0,0,0,0|3,0,1]=4 46 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 2230a_100102631434_100011218569 [0,0,0,0,0,0|3,0,0]=3 47 B15R2.6 CN(C)CCc1c[nH]c2c1cccc2 269982a_100102631434_100011218569 [0,0,0,0,0,0|3,0,0]=3 48 B15R2.6 CN(C)CCc1c[nH]c2c1cccn2 2230a_100102631434_100009895007 [0,0,0,0,0,0|4,0,0]=4 49 B15R2.6 CN(C)CCc1c[nH]c2c1cccn2 269982a_100102631434_100009895007 [0,0,0,0,0,0|4,0,0]=4 50 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 34a_100000077758_100009817552 [0,0,0,0,0,0|3,0,1]=4 51 B15R2.6 C[C@@H](O)COc1csc2c1cccc2 7a_100000077758_100009817552 [0,0,0,0,0,0|3,0,1]=4 52 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1cccn2 62a_100009817552_100011934613 [0,0,0,0,0,0|3,0,1]=4 53 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1ccnc2 62a_100009817552_100010232032 [0,0,0,0,0,0|3,0,1]=4 54 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1cncc2 62a_100009817552_100000753697 [0,0,0,0,0,0|3,0,1]=4 55 B15R2.6 C[C@@H](O)CSc1c[nH]c2c1nccc2 62a_100009817552_100009817151 [0,0,0,0,0,0|3,0,1]=4 56 B15R2.6 C[C@@H](O)CSc1coc2c1cccc2 62a_100009817552_100009812202 [0,0,0,0,0,0|3,0,1]=4 57 B15R2.6 C[C@@H](O)CSc1csc2c1cccc2 62a_100009817552_100009813928 [0,0,0,0,0,0|3,0,1]=4 58 B15R2.6 C[C@@H](O)CSc1n[nH]c2c1cccc2 62a_100009817552_100000050141 [0,0,0,0,0,0|3,0,1]=4 59 B15R2.6 NC(=O)COc1csc2c1cccc2 34a_100000077758_100000187820 [0,0,0,0,0,0|3,0,0]=3 60 B15R2.6 NC(=O)COc1csc2c1cccc2 7a_100000077758_100000187820 [0,0,0,0,0,0|3,0,0]=3 61 B15R2.6 NC(=O)CSc1c[nH]c2c1cccn2 62a_100000747473_100011934613 [0,0,0,0,0,0|3,0,0]=3 62 B15R2.6 NC(=O)CSc1c[nH]c2c1ccnc2 62a_100000747473_100010232032 [0,0,0,0,0,0|3,0,0]=3 63 B15R2.6 NC(=O)CSc1c[nH]c2c1cncc2 62a_100000747473_100000753697 [0,0,0,0,0,0|3,0,0]=3 64 B15R2.6 NC(=O)CSc1c[nH]c2c1cncn2 62a_100000747473_100000072862 [0,0,0,0,0,0|4,0,0]=4 65 B15R2.6 NC(=O)CSc1c[nH]c2c1cncn2 62a_100009817560_100000747473 [0,0,0,0,0,0|4,0,0]=4 66 B15R2.6 NC(=O)CSc1c[nH]c2c1nccc2 62a_100000747473_100009817151 [0,0,0,0,0,0|3,0,0]=3 67 B15R2.6 NC(=O)CSc1c[nH]c2c1nccn2 62a_100000747473_100009819587 [0,0,0,0,0,0|4,0,0]=4 68 B15R2.6 NC(=O)CSc1cnc2n1cccc2 62a_100000747473_100011219245 [0,0,0,0,0,0|3,0,1]=4 69 B15R2.6 NC(=O)CSc1cnn2c1cccc2 62a_100000747473_100009817726 [0,0,0,0,0,0|3,0,1]=4 70 B15R2.6 NC(=O)CSc1coc2c1cccc2 62a_100000747473_100009812202 [0,0,0,0,0,0|3,0,0]=3 71 B15R2.6 NC(=O)CSc1coc2c1nccc2 62a_100000747473_100009889148 [0,0,0,0,0,0|4,0,0]=4 72 B15R2.6 NC(=O)CSc1csc2c1cccc2 62a_100000747473_100009813928 [0,0,0,0,0,0|3,0,0]=3 73 B15R2.6 NC(=O)CSc1csc2c1cccn2 62a_100000747473_100009830249 [0,0,0,0,0,0|4,0,0]=4 74 B15R2.6 NC(=O)CSc1csc2c1cccn2 62a_100009830249_100000747473 [0,0,0,0,0,0|4,0,0]=4 75 B15R2.6 NC(=O)CSc1csc2c1ccnc2 62a_100000747473_100009817111 [0,0,0,0,0,0|4,0,0]=4 76 B15R2.6 NC(=O)CSc1csc2c1ccnc2 62a_100009817111_100000747473 [0,0,0,0,0,0|4,0,0]=4 77 B15R2.6 NC(=O)CSc1csc2c1cncc2 62a_100000747473_100010247091 [0,0,0,0,0,0|4,0,0]=4 78 B15R2.6 NC(=O)CSc1csc2c1cncc2 62a_100010247091_100000747473 [0,0,0,0,0,0|4,0,0]=4 79 B15R2.6 NC(=O)CSc1csc2c1nccc2 62a_100000747473_100010247092 [0,0,0,0,0,0|4,0,0]=4 80 B15R2.6 NC(=O)CSc1n[nH]c2c1cccc2 62a_100000747473_100000050141 [0,0,0,0,0,0|3,0,0]=3 81 B15R2.6 NC(=O)CSc1n[nH]c2c1cccn2 62a_100000747473_100009888962 [0,0,0,0,0,0|4,0,0]=4 82 B15R2.6 NC(=O)CSc1n[nH]c2c1ccnc2 62a_100000747473_100010244369 [0,0,0,0,0,0|4,0,0]=4 83 B15R2.6 NC(=O)CSc1n[nH]c2c1cncc2 62a_100000747473_100009820117 [0,0,0,0,0,0|4,0,0]=4 84 B15R2.6 NC(=O)CSc1n[nH]c2c1nccc2 62a_100000747473_100009817118 [0,0,0,0,0,0|4,0,0]=4 85 B15R2.6 NC(=O)CSc1noc2c1cccc2 62a_100000747473_200000703156 [0,0,0,0,0,0|4,0,0]=4 86 B15R2.6 NC(=O)CSc1noc2c1cccc2 62a_200000703156_100000747473 [0,0,0,0,0,0|4,0,0]=4 87 B15R2.6 O=C(O)CNC1CCc2c1cccc2 269956a_100016091260_200000721974 [0,0,0,0,0,0|2,0,2]=4 88 B15R2.6 O=C([O-])COc1csc2c1cccc2 34a_100000077758_100020667443 [0,0,0,0,0,0|2,0,1]=3 89 B15R2.6 O=C([O-])CSc1c[nH]c2c1cccn2 62a_100020667443_100011934613 [0,0,0,0,0,0|2,0,1]=3 90 B15R2.6 O=C([O-])CSc1c[nH]c2c1ccnc2 62a_100020667443_100010232032 [0,0,0,0,0,0|2,0,1]=3 91 B15R2.6 O=C([O-])CSc1c[nH]c2c1cncc2 62a_100020667443_100000753697 [0,0,0,0,0,0|2,0,1]=3 92 B15R2.6 O=C([O-])CSc1c[nH]c2c1cncn2 62a_100009817560_100020667443 [0,0,0,0,0,0|3,0,1]=4 93 B15R2.6 O=C([O-])CSc1c[nH]c2c1cncn2 62a_100020667443_100000072862 [0,0,0,0,0,0|3,0,1]=4 94 B15R2.6 O=C([O-])CSc1c[nH]c2c1nccc2 62a_100020667443_100009817151 [0,0,0,0,0,0|2,0,1]=3 95 B15R2.6 O=C([O-])CSc1c[nH]c2c1nccn2 62a_100020667443_100009819587 [0,0,0,0,0,0|3,0,1]=4 96 B15R2.6 O=C([O-])CSc1cnc2n1cccc2 62a_100020667443_100011219245 [0,0,0,0,0,0|2,0,2]=4 97 B15R2.6 O=C([O-])CSc1cnn2c1cccc2 62a_100020667443_100009817726 [0,0,0,0,0,0|2,0,2]=4 98 B15R2.6 O=C([O-])CSc1coc2c1cccc2 62a_100020667443_100009812202 [0,0,0,0,0,0|2,0,1]=3 99 B15R2.6 O=C([O-])CSc1coc2c1nccc2 62a_100020667443_100009889148 [0,0,0,0,0,0|3,0,1]=4 100 B15R2.6 O=C([O-])CSc1csc2c1cccc2 62a_100020667443_100009813928 [0,0,0,0,0,0|2,0,1]=3 101 B15R2.6 O=C([O-])CSc1csc2c1cccn2 62a_100009830249_100020667443 [0,0,0,0,0,0|3,0,1]=4 102 B15R2.6 O=C([O-])CSc1csc2c1cccn2 62a_100020667443_100009830249 [0,0,0,0,0,0|3,0,1]=4 103 B15R2.6 O=C([O-])CSc1csc2c1ccnc2 62a_100009817111_100020667443 [0,0,0,0,0,0|3,0,1]=4 104 B15R2.6 O=C([O-])CSc1csc2c1ccnc2 62a_100020667443_100009817111 [0,0,0,0,0,0|3,0,1]=4 105 B15R2.6 O=C([O-])CSc1csc2c1cncc2 62a_100010247091_100020667443 [0,0,0,0,0,0|3,0,1]=4 106 B15R2.6 O=C([O-])CSc1csc2c1cncc2 62a_100020667443_100010247091 [0,0,0,0,0,0|3,0,1]=4 107 B15R2.6 O=C([O-])CSc1csc2c1nccc2 62a_100020667443_100010247092 [0,0,0,0,0,0|3,0,1]=4 108 B15R2.6 O=C([O-])CSc1n[nH]c2c1cccc2 62a_100020667443_100000050141 [0,0,0,0,0,0|2,0,1]=3 109 B15R2.6 O=C([O-])CSc1n[nH]c2c1cccn2 62a_100020667443_100009888962 [0,0,0,0,0,0|3,0,1]=4 110 B15R2.6 O=C([O-])CSc1n[nH]c2c1ccnc2 62a_100020667443_100010244369 [0,0,0,0,0,0|3,0,1]=4 111 B15R2.6 O=C([O-])CSc1n[nH]c2c1cncc2 62a_100020667443_100009820117 [0,0,0,0,0,0|3,0,1]=4 112 B15R2.6 O=C([O-])CSc1n[nH]c2c1nccc2 62a_100020667443_100009817118 [0,0,0,0,0,0|3,0,1]=4 113 B15R2.6 O=C([O-])CSc1noc2c1cccc2 62a_100020667443_200000703156 [0,0,0,0,0,0|3,0,1]=4 114 B15R2.6 O=C([O-])CSc1noc2c1cccc2 62a_200000703156_100020667443 [0,0,0,0,0,0|3,0,1]=4 115 B15R2.6 O=[N+]([O-])COc1csc2c1cccc2 34a_100000077758_100000761209 [0,0,0,0,0,0|3,0,1]=4 116 B15R2.6 [13CH3]C(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_200025704644 [0,0,0,0,0,0|1,0,2]=3 117 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_200025704644 [0,0,0,0,0,0|1,0,0]=1 118 B15R2.6 [13CH3]C(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_200025704644 [0,0,0,0,0,0|2,0,0]=2 119 B15R2.6 [13CH3]C(=O)CCn1ccc2c1cccc2 1458a_100000186764_200025704644 [0,0,0,0,0,0|3,0,0]=3 120 B15R2.6 [13CH3]C(=O)CCn1cnc2c1cccc2 1458a_100000177575_200025704644 [0,0,0,0,0,0|2,0,1]=3 121 B15R2.6 [13CH3]C(=O)CCn1nnc2c1cccc2 1458a_200000208482_200025704644 [0,0,0,0,0,0|3,0,1]=4 122 B14R2.3 C=CCOc1csc2c1cccc2 34a_100000077758_100015514636 [1,0,0,0,0,0|3,0,0]=4 123 B14R2.3 C=CCOc1csc2c1cccc2 7a_100000077758_100015514636 [1,0,0,0,0,0|3,0,0]=4 124 B14R2.3 C=CCSc1c[nH]c2c1cccn2 62a_100000210623_100011934613 [1,0,0,0,0,0|3,0,0]=4 125 B14R2.3 C=CCSc1c[nH]c2c1ccnc2 62a_100000210623_100010232032 [1,0,0,0,0,0|3,0,0]=4 126 B14R2.3 C=CCSc1c[nH]c2c1cncc2 62a_100000210623_100000753697 [1,0,0,0,0,0|3,0,0]=4 127 B14R2.3 C=CCSc1c[nH]c2c1nccc2 62a_100000210623_100009817151 [1,0,0,0,0,0|3,0,0]=4 128 B14R2.3 C=CCSc1coc2c1cccc2 62a_100000210623_100009812202 [1,0,0,0,0,0|3,0,0]=4 129 B14R2.3 C=CCSc1csc2c1cccc2 62a_100000210623_100009813928 [1,0,0,0,0,0|3,0,0]=4 130 B14R2.3 C=CCSc1n[nH]c2c1cccc2 62a_100000210623_100000050141 [1,0,0,0,0,0|3,0,0]=4 131 B14R2.3 CCCCc1c[nH]c2c1cccn2 271570a_100020621405_100011934613 [1,0,0,0,0,0|2,0,1]=4 132 B14R2.3 CCCCc1c[nH]c2c1ccnc2 271570a_100020621405_100010232032 [1,0,0,0,0,0|2,0,1]=4 133 B14R2.3 CCCCc1c[nH]c2c1cncc2 271570a_100020621405_100011934843 [1,0,0,0,0,0|2,0,1]=4 134 B14R2.3 CCCCc1c[nH]c2c1nccc2 271570a_100020621405_100009817151 [1,0,0,0,0,0|2,0,1]=4 135 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [1,0,0,0,0,0|2,0,1]=4 136 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [1,0,0,0,0,0|2,0,1]=4 137 B14R2.3 CCCCc1n[nH]c2c1cccc2 271570a_100020621405_100000050141 [1,0,0,0,0,0|2,0,1]=4 138 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_100000211132_200000210301 [1,0,0,0,0,0|2,0,0]=3 139 B14R2.3 CNCCc1c[nH]c2c1cccc2 2230a_106832991635_100011218569 [1,0,0,0,0,0|2,0,0]=3 140 B14R2.3 CNCCc1c[nH]c2c1cccc2 34a_100102657272_100011218569 [1,0,0,0,0,0|2,0,0]=3 141 B14R2.3 CNCCc1c[nH]c2c1cccc2 7a_106832991635_100011218569 [1,0,0,0,0,0|2,0,0]=3 142 B14R2.3 CNCCc1c[nH]c2c1cccn2 2230a_106832991635_100009895007 [1,0,0,0,0,0|3,0,0]=4 143 B14R2.3 CNCCc1c[nH]c2c1cccn2 7a_106832991635_100009895007 [1,0,0,0,0,0|3,0,0]=4 144 B14R2.3 CNCCc1coc2c1cccc2 2230a_100011934666_200000210301 [1,0,0,0,0,0|3,0,0]=4 145 B14R2.3 CNCCc1coc2c1cccc2 34a_100011934666_200000210301 [1,0,0,0,0,0|3,0,0]=4 146 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100000752351_200000210301 [1,0,0,0,0,0|2,0,0]=3 147 B14R2.3 COCCc1c[nH]c2c1cccc2 34a_100138415774_100011218569 [1,0,0,0,0,0|2,0,0]=3 148 B14R2.3 CSCCc1c[nH]c2c1cccc2 62a_200000210301_100011218569 [1,0,0,0,0,0|2,0,0]=3 149 B14R2.3 CSCCc1c[nH]c2c1cccn2 62a_200000210301_100009895007 [1,0,0,0,0,0|3,0,0]=4 150 B14R2.3 O=CCOc1csc2c1cccc2 34a_100000077758_200009817547 [1,0,0,0,0,0|2,0,0]=3 151 B14R2.3 O=CCOc1csc2c1cccc2 7a_100000077758_200015260668 [1,0,0,0,0,0|2,0,0]=3 152 B14R2.3 O=CCSc1c[nH]c2c1cccn2 62a_200015260668_100011934613 [1,0,0,0,0,0|2,0,0]=3 153 B14R2.3 O=CCSc1c[nH]c2c1ccnc2 62a_200015260668_100010232032 [1,0,0,0,0,0|2,0,0]=3 154 B14R2.3 O=CCSc1c[nH]c2c1cncc2 62a_200015260668_100000753697 [1,0,0,0,0,0|2,0,0]=3 155 B14R2.3 O=CCSc1c[nH]c2c1cncn2 62a_100009817560_200015260668 [1,0,0,0,0,0|3,0,0]=4 156 B14R2.3 O=CCSc1c[nH]c2c1cncn2 62a_200015260668_100000072862 [1,0,0,0,0,0|3,0,0]=4 157 B14R2.3 O=CCSc1c[nH]c2c1nccc2 62a_200015260668_100009817151 [1,0,0,0,0,0|2,0,0]=3 158 B14R2.3 O=CCSc1c[nH]c2c1nccn2 62a_200015260668_100009819587 [1,0,0,0,0,0|3,0,0]=4 159 B14R2.3 O=CCSc1cnc2n1cccc2 62a_200015260668_100011219245 [1,0,0,0,0,0|2,0,1]=4 160 B14R2.3 O=CCSc1cnn2c1cccc2 62a_200015260668_100009817726 [1,0,0,0,0,0|2,0,1]=4 161 B14R2.3 O=CCSc1coc2c1cccc2 62a_200015260668_100009812202 [1,0,0,0,0,0|2,0,0]=3 162 B14R2.3 O=CCSc1coc2c1nccc2 62a_200015260668_100009889148 [1,0,0,0,0,0|3,0,0]=4 163 B14R2.3 O=CCSc1csc2c1cccc2 62a_200015260668_100009813928 [1,0,0,0,0,0|2,0,0]=3 164 B14R2.3 O=CCSc1csc2c1cccn2 62a_100009830249_200015260668 [1,0,0,0,0,0|3,0,0]=4 165 B14R2.3 O=CCSc1csc2c1cccn2 62a_200015260668_100009830249 [1,0,0,0,0,0|3,0,0]=4 166 B14R2.3 O=CCSc1csc2c1ccnc2 62a_100009817111_200015260668 [1,0,0,0,0,0|3,0,0]=4 167 B14R2.3 O=CCSc1csc2c1ccnc2 62a_200015260668_100009817111 [1,0,0,0,0,0|3,0,0]=4 168 B14R2.3 O=CCSc1csc2c1cncc2 62a_100010247091_200015260668 [1,0,0,0,0,0|3,0,0]=4 169 B14R2.3 O=CCSc1csc2c1cncc2 62a_200015260668_100010247091 [1,0,0,0,0,0|3,0,0]=4 170 B14R2.3 O=CCSc1csc2c1nccc2 62a_200015260668_100010247092 [1,0,0,0,0,0|3,0,0]=4 171 B14R2.3 O=CCSc1n[nH]c2c1cccc2 62a_200015260668_100000050141 [1,0,0,0,0,0|2,0,0]=3 172 B14R2.3 O=CCSc1n[nH]c2c1cccn2 62a_200015260668_100009888962 [1,0,0,0,0,0|3,0,0]=4 173 B14R2.3 O=CCSc1n[nH]c2c1ccnc2 62a_200015260668_100010244369 [1,0,0,0,0,0|3,0,0]=4 174 B14R2.3 O=CCSc1n[nH]c2c1cncc2 62a_200015260668_100009820117 [1,0,0,0,0,0|3,0,0]=4 175 B14R2.3 O=CCSc1n[nH]c2c1nccc2 62a_200015260668_100009817118 [1,0,0,0,0,0|3,0,0]=4 176 B14R2.3 O=CCSc1noc2c1cccc2 62a_200000703156_200015260668 [1,0,0,0,0,0|3,0,0]=4 177 B14R2.3 O=CCSc1noc2c1cccc2 62a_200015260668_200000703156 [1,0,0,0,0,0|3,0,0]=4 178 B14R2.3 OCCOc1csc2c1cccc2 34a_100000077758_100000211926 [1,0,0,0,0,0|2,0,1]=4 179 B14R2.3 OCCOc1csc2c1cccc2 7a_100000077758_100000211926 [1,0,0,0,0,0|2,0,1]=4 180 B14R2.3 OCCSc1c[nH]c2c1cccn2 62a_100000211926_100011934613 [1,0,0,0,0,0|2,0,1]=4 181 B14R2.3 OCCSc1c[nH]c2c1ccnc2 62a_100000211926_100010232032 [1,0,0,0,0,0|2,0,1]=4 182 B14R2.3 OCCSc1c[nH]c2c1cncc2 62a_100000211926_100000753697 [1,0,0,0,0,0|2,0,1]=4 183 B14R2.3 OCCSc1c[nH]c2c1nccc2 62a_100000211926_100009817151 [1,0,0,0,0,0|2,0,1]=4 184 B14R2.3 OCCSc1coc2c1cccc2 62a_100000211926_100009812202 [1,0,0,0,0,0|2,0,1]=4 185 B14R2.3 OCCSc1csc2c1cccc2 62a_100000211926_100009813928 [1,0,0,0,0,0|2,0,1]=4 186 B14R2.3 OCCSc1n[nH]c2c1cccc2 62a_100000211926_100000050141 [1,0,0,0,0,0|2,0,1]=4 187 B14R2.3 [13CH3]NCCc1c[nH]c2c1cccc2 2230a_100000211132_200025704644 [1,0,0,0,0,0|2,0,0]=3 188 B14R2.3 [13CH3]NCCc1coc2c1cccc2 2230a_100011934666_200025704644 [1,0,0,0,0,0|3,0,0]=4 189 B14R2.3 [13CH3]NCCc1coc2c1cccc2 34a_100011934666_200025704644 [1,0,0,0,0,0|3,0,0]=4 190 B14R2.3 [13CH3]OCCc1c[nH]c2c1cccc2 34a_100000752351_200025704644 [1,0,0,0,0,0|2,0,0]=3 191 B14R2.3 [13CH3]SCCc1c[nH]c2c1cccc2 62a_200025704644_100011218569 [1,0,0,0,0,0|2,0,0]=3 192 B14R2.3 [13CH3]SCCc1c[nH]c2c1cccn2 62a_200025704644_100009895007 [1,0,0,0,0,0|3,0,0]=4 193 B16R2.12 CC(=O)C(C)Oc1csc2c1cccc2 7a_100000077758_100000179758 [0,1,0,0,0,0|3,0,0]=4 194 B16R2.12 CC(=O)C(C)Sc1c[nH]c2c1cccn2 62a_100009814033_100011934613 [0,1,0,0,0,0|3,0,0]=4 195 B16R2.12 CC(=O)C(C)Sc1c[nH]c2c1ccnc2 62a_100009814033_100010232032 [0,1,0,0,0,0|3,0,0]=4 196 B16R2.12 CC(=O)C(C)Sc1c[nH]c2c1cncc2 62a_100009814033_100000753697 [0,1,0,0,0,0|3,0,0]=4 197 B16R2.12 CC(=O)C(C)Sc1c[nH]c2c1nccc2 62a_100009814033_100009817151 [0,1,0,0,0,0|3,0,0]=4 198 B16R2.12 CC(=O)C(C)Sc1coc2c1cccc2 62a_100009814033_100009812202 [0,1,0,0,0,0|3,0,0]=4 199 B16R2.12 CC(=O)C(C)Sc1csc2c1cccc2 62a_100009814033_100009813928 [0,1,0,0,0,0|3,0,0]=4 200 B16R2.12 CC(=O)C(C)Sc1n[nH]c2c1cccc2 62a_100009814033_100000050141 [0,1,0,0,0,0|3,0,0]=4 201 B16R2.12 CC(Cc1c[nH]c2c1cccc2)N(C)C 270004a_100102631434_100000030300 [0,1,0,0,0,0|3,0,0]=4 202 B16R2.12 CC(Oc1csc2c1cccc2)C(=O)N 34a_100000077758_100000702099 [0,1,0,0,0,0|3,0,0]=4 203 B16R2.12 CC(Oc1csc2c1cccc2)C(=O)N 7a_100000077758_100000702099 [0,1,0,0,0,0|3,0,0]=4 204 B16R2.12 CC(Sc1c[nH]c2c1cccn2)C(=O)N 62a_100000702099_100011934613 [0,1,0,0,0,0|3,0,0]=4 205 B16R2.12 CC(Sc1c[nH]c2c1ccnc2)C(=O)N 62a_100000702099_100010232032 [0,1,0,0,0,0|3,0,0]=4 206 B16R2.12 CC(Sc1c[nH]c2c1cncc2)C(=O)N 62a_100000702099_100000753697 [0,1,0,0,0,0|3,0,0]=4 207 B16R2.12 CC(Sc1c[nH]c2c1nccc2)C(=O)N 62a_100000702099_100009817151 [0,1,0,0,0,0|3,0,0]=4 208 B16R2.12 CC(Sc1coc2c1cccc2)C(=O)N 62a_100000702099_100009812202 [0,1,0,0,0,0|3,0,0]=4 209 B16R2.12 CC(Sc1csc2c1cccc2)C(=O)N 62a_100000702099_100009813928 [0,1,0,0,0,0|3,0,0]=4 210 B16R2.12 CC(Sc1n[nH]c2c1cccc2)C(=O)N 62a_100000702099_100000050141 [0,1,0,0,0,0|3,0,0]=4 211 B16R2.12 NC(=O)C(F)Oc1csc2c1cccc2 34a_100000077758_100009813875 [0,1,0,0,0,0|3,0,0]=4 212 B16R2.12 NC(=O)C(F)Oc1csc2c1cccc2 7a_100000077758_100009813875 [0,1,0,0,0,0|3,0,0]=4 213 B16R2.12 NC(=O)C(F)Sc1c[nH]c2c1cccn2 62a_100009813875_100011934613 [0,1,0,0,0,0|3,0,0]=4 214 B16R2.12 NC(=O)C(F)Sc1c[nH]c2c1ccnc2 62a_100009813875_100010232032 [0,1,0,0,0,0|3,0,0]=4 215 B16R2.12 NC(=O)C(F)Sc1c[nH]c2c1cncc2 62a_100009813875_100000753697 [0,1,0,0,0,0|3,0,0]=4 216 B16R2.12 NC(=O)C(F)Sc1c[nH]c2c1nccc2 62a_100009813875_100009817151 [0,1,0,0,0,0|3,0,0]=4 217 B16R2.12 NC(=O)C(F)Sc1coc2c1cccc2 62a_100009813875_100009812202 [0,1,0,0,0,0|3,0,0]=4 218 B16R2.12 NC(=O)C(F)Sc1csc2c1cccc2 62a_100009813875_100009813928 [0,1,0,0,0,0|3,0,0]=4 219 B16R2.12 NC(=O)C(F)Sc1n[nH]c2c1cccc2 62a_100009813875_100000050141 [0,1,0,0,0,0|3,0,0]=4 220 B16R2.12 O=C([O-])C(F)Oc1csc2c1cccc2 34a_100000077758_100020610796 [0,1,0,0,0,0|2,0,1]=4 221 B16R2.12 O=C([O-])C(F)Sc1c[nH]c2c1cccn2 62a_100020610796_100011934613 [0,1,0,0,0,0|2,0,1]=4 222 B16R2.12 O=C([O-])C(F)Sc1c[nH]c2c1ccnc2 62a_100020610796_100010232032 [0,1,0,0,0,0|2,0,1]=4 223 B16R2.12 O=C([O-])C(F)Sc1c[nH]c2c1cncc2 62a_100020610796_100000753697 [0,1,0,0,0,0|2,0,1]=4 224 B16R2.12 O=C([O-])C(F)Sc1c[nH]c2c1nccc2 62a_100020610796_100009817151 [0,1,0,0,0,0|2,0,1]=4 225 B16R2.12 O=C([O-])C(F)Sc1coc2c1cccc2 62a_100020610796_100009812202 [0,1,0,0,0,0|2,0,1]=4 226 B16R2.12 O=C([O-])C(F)Sc1csc2c1cccc2 62a_100020610796_100009813928 [0,1,0,0,0,0|2,0,1]=4 227 B16R2.12 O=C([O-])C(F)Sc1n[nH]c2c1cccc2 62a_100020610796_100000050141 [0,1,0,0,0,0|2,0,1]=4 228 B16R2.14 C#CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211873_100011218569 [0,1,0,0,0,0|1,0,0]=2 229 B16R2.14 C#CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000211873_100009895007 [0,1,0,0,0,0|2,0,0]=3 230 B16R2.14 C=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000185746_100011218569 [0,1,0,0,0,0|1,0,0]=2 231 B16R2.14 C=CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000185746_100009895007 [0,1,0,0,0,0|2,0,0]=3 232 B16R2.14 C=CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_200121576911 [0,1,0,0,0,0|2,0,0]=3 233 B16R2.14 C=CC(=O)NCc1csc2c1cccc2 1626a_100000744611_100000185746 [0,1,0,0,0,0|3,0,0]=4 234 B16R2.14 C=CC(=O)NCc1csc2c1cccc2 240690a_100000744611_200121576911 [0,1,0,0,0,0|3,0,0]=4 235 B16R2.14 CCC(=O)C=Cc1c[nH]c2c1cccc2 1458a_100016263948_100000210202 [0,1,0,0,0,0|1,0,2]=4 236 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210414_100011218569 [0,1,0,0,0,0|1,0,0]=2 237 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000210202 [0,1,0,0,0,0|1,0,0]=2 238 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100000210414_100009895007 [0,1,0,0,0,0|2,0,0]=3 239 B16R2.14 CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100000210202 [0,1,0,0,0,0|2,0,0]=3 240 B16R2.14 CCC(=O)CCn1ccc2c1cccc2 1458a_100000186764_100000210202 [0,1,0,0,0,0|3,0,0]=4 241 B16R2.14 CCC(=O)CCn1cnc2c1cccc2 1458a_100000177575_100000210202 [0,1,0,0,0,0|2,0,1]=4 242 B16R2.14 CCC(=O)COc1csc2c1cccc2 7a_100000077758_100000747405 [0,1,0,0,0,0|3,0,0]=4 243 B16R2.14 CCC(=O)CSc1c[nH]c2c1cccn2 62a_100000747405_100011934613 [0,1,0,0,0,0|3,0,0]=4 244 B16R2.14 CCC(=O)CSc1c[nH]c2c1ccnc2 62a_100000747405_100010232032 [0,1,0,0,0,0|3,0,0]=4 245 B16R2.14 CCC(=O)CSc1c[nH]c2c1cncc2 62a_100000747405_100000753697 [0,1,0,0,0,0|3,0,0]=4 246 B16R2.14 CCC(=O)CSc1c[nH]c2c1nccc2 62a_100000747405_100009817151 [0,1,0,0,0,0|3,0,0]=4 247 B16R2.14 CCC(=O)CSc1coc2c1cccc2 62a_100000747405_100009812202 [0,1,0,0,0,0|3,0,0]=4 248 B16R2.14 CCC(=O)CSc1csc2c1cccc2 62a_100000747405_100009813928 [0,1,0,0,0,0|3,0,0]=4 249 B16R2.14 CCC(=O)CSc1n[nH]c2c1cccc2 62a_100000747405_100000050141 [0,1,0,0,0,0|3,0,0]=4 250 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210414 [0,1,0,0,0,0|2,0,0]=3 251 B16R2.14 CCC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210414 [0,1,0,0,0,0|2,0,0]=3 252 B16R2.14 CCC(=O)NCc1csc2c1cccc2 11a_100000744611_100000210414 [0,1,0,0,0,0|3,0,0]=4 253 B16R2.14 CCC(=O)NCc1csc2c1cccc2 1626a_100000744611_100000210414 [0,1,0,0,0,0|3,0,0]=4 254 B16R2.14 CCC(=O)NCc1csc2c1cccc2 240690a_100000744611_100000210414 [0,1,0,0,0,0|3,0,0]=4 255 B16R2.14 CCC(=O)NCc1csc2c1cccc2 527a_100000744611_100000210414 [0,1,0,0,0,0|3,0,0]=4 256 B16R2.14 CCN(C)CCc1c[nH]c2c1cccc2 2230a_100000225621_100011218569 [0,1,0,0,0,0|3,0,0]=4 257 B16R2.14 CCN(C)CCc1c[nH]c2c1cccc2 269982a_100000225621_100011218569 [0,1,0,0,0,0|3,0,0]=4 258 B16R2.14 CNC(=O)C=Cc1c[nH]c2c1cccc2 240690a_100102657272_100016263948 [0,1,0,0,0,0|1,0,2]=4 259 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 11a_106832991635_100000211458 [0,1,0,0,0,0|1,0,0]=2 260 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 1626a_100102657272_100000211458 [0,1,0,0,0,0|1,0,0]=2 261 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 240690a_100102657272_100000211458 [0,1,0,0,0,0|1,0,0]=2 262 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccc2 527a_100102657272_100000211458 [0,1,0,0,0,0|1,0,0]=2 263 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccn2 11a_106832991635_100102525369 [0,1,0,0,0,0|2,0,0]=3 264 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccn2 240690a_100102657272_100102525369 [0,1,0,0,0,0|2,0,0]=3 265 B16R2.14 CNC(=O)CCc1c[nH]c2c1cccn2 527a_100102657272_100102525369 [0,1,0,0,0,0|2,0,0]=3 266 B16R2.14 CNC(=O)CCn1ccc2c1cccc2 11a_106832991635_100000186764 [0,1,0,0,0,0|3,0,0]=4 267 B16R2.14 CNC(=O)CCn1ccc2c1cccc2 1626a_100102657272_100000186764 [0,1,0,0,0,0|3,0,0]=4 268 B16R2.14 CNC(=O)CCn1ccc2c1cccc2 527a_100102657272_100000186764 [0,1,0,0,0,0|3,0,0]=4 269 B16R2.14 CNC(=O)CCn1cnc2c1cccc2 240690a_100102657272_100000177575 [0,1,0,0,0,0|2,0,1]=4 270 B16R2.14 CNC(=O)CCn1cnc2c1cccc2 527a_100102657272_100000177575 [0,1,0,0,0,0|2,0,1]=4 271 B16R2.14 CNC(=O)COc1csc2c1cccc2 34a_100000077758_100000183359 [0,1,0,0,0,0|3,0,0]=4 272 B16R2.14 CNC(=O)COc1csc2c1cccc2 7a_100000077758_100000183359 [0,1,0,0,0,0|3,0,0]=4 273 B16R2.14 CNC(=O)CSc1c[nH]c2c1cccn2 62a_100000183359_100011934613 [0,1,0,0,0,0|3,0,0]=4 274 B16R2.14 CNC(=O)CSc1c[nH]c2c1ccnc2 62a_100000183359_100010232032 [0,1,0,0,0,0|3,0,0]=4 275 B16R2.14 CNC(=O)CSc1c[nH]c2c1cncc2 62a_100000183359_100000753697 [0,1,0,0,0,0|3,0,0]=4 276 B16R2.14 CNC(=O)CSc1c[nH]c2c1nccc2 62a_100000183359_100009817151 [0,1,0,0,0,0|3,0,0]=4 277 B16R2.14 CNC(=O)CSc1coc2c1cccc2 62a_100000183359_100009812202 [0,1,0,0,0,0|3,0,0]=4 278 B16R2.14 CNC(=O)CSc1csc2c1cccc2 62a_100000183359_100009813928 [0,1,0,0,0,0|3,0,0]=4 279 B16R2.14 CNC(=O)CSc1n[nH]c2c1cccc2 62a_100000183359_100000050141 [0,1,0,0,0,0|3,0,0]=4 280 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 2708a_100015202335_106832991635 [0,1,0,0,0,0|2,0,0]=3 281 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 2708a_100102657272_100015202335 [0,1,0,0,0,0|2,0,0]=3 282 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 273464a_100015202335_100102657272 [0,1,0,0,0,0|2,0,0]=3 283 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 273464a_100102657272_100015202335 [0,1,0,0,0,0|2,0,0]=3 284 B16R2.14 CNC(=O)NCc1c[nH]c2c1cccc2 512a_106832991638_100015202335 [0,1,0,0,0,0|2,0,0]=3 285 B16R2.14 CNC(=O)NCc1csc2c1cccc2 2708a_100000744611_106832991635 [0,1,0,0,0,0|3,0,0]=4 286 B16R2.14 CNC(=O)NCc1csc2c1cccc2 2708a_100102657272_100000744611 [0,1,0,0,0,0|3,0,0]=4 287 B16R2.14 CNC(=O)NCc1csc2c1cccc2 273464a_100000744611_100102657272 [0,1,0,0,0,0|3,0,0]=4 288 B16R2.14 CNC(=O)NCc1csc2c1cccc2 273464a_100102657272_100000744611 [0,1,0,0,0,0|3,0,0]=4 289 B16R2.14 CNC(=O)NCc1csc2c1cccc2 512a_100000744611_100102657272 [0,1,0,0,0,0|3,0,0]=4 290 B16R2.14 CNC(=O)NCc1csc2c1cccc2 512a_106832991638_100000744611 [0,1,0,0,0,0|3,0,0]=4 291 B16R2.14 CNC(C)CCc1c[nH]c2c1cccc2 270004a_106832991635_100102524982 [0,1,0,0,0,0|2,0,1]=4 292 B16R2.14 COC(=O)COc1csc2c1cccc2 34a_100000077758_100000747449 [0,1,0,0,0,0|2,0,0]=3 293 B16R2.14 COC(=O)COc1csc2c1cccc2 7a_100000077758_100000747449 [0,1,0,0,0,0|2,0,0]=3 294 B16R2.14 COC(=O)CSc1c[nH]c2c1cccn2 62a_100000747449_100011934613 [0,1,0,0,0,0|2,0,0]=3 295 B16R2.14 COC(=O)CSc1c[nH]c2c1ccnc2 62a_100000747449_100010232032 [0,1,0,0,0,0|2,0,0]=3 296 B16R2.14 COC(=O)CSc1c[nH]c2c1cncc2 62a_100000747449_100000753697 [0,1,0,0,0,0|2,0,0]=3 297 B16R2.14 COC(=O)CSc1c[nH]c2c1cncn2 62a_100000747449_100000072862 [0,1,0,0,0,0|3,0,0]=4 298 B16R2.14 COC(=O)CSc1c[nH]c2c1cncn2 62a_100009817560_100000747449 [0,1,0,0,0,0|3,0,0]=4 299 B16R2.14 COC(=O)CSc1c[nH]c2c1nccc2 62a_100000747449_100009817151 [0,1,0,0,0,0|2,0,0]=3 300 B16R2.14 COC(=O)CSc1c[nH]c2c1nccn2 62a_100000747449_100009819587 [0,1,0,0,0,0|3,0,0]=4 301 B16R2.14 COC(=O)CSc1cnc2n1cccc2 62a_100000747449_100011219245 [0,1,0,0,0,0|2,0,1]=4 302 B16R2.14 COC(=O)CSc1cnn2c1cccc2 62a_100000747449_100009817726 [0,1,0,0,0,0|2,0,1]=4 303 B16R2.14 COC(=O)CSc1coc2c1cccc2 62a_100000747449_100009812202 [0,1,0,0,0,0|2,0,0]=3 304 B16R2.14 COC(=O)CSc1coc2c1nccc2 62a_100000747449_100009889148 [0,1,0,0,0,0|3,0,0]=4 305 B16R2.14 COC(=O)CSc1csc2c1cccc2 62a_100000747449_100009813928 [0,1,0,0,0,0|2,0,0]=3 306 B16R2.14 COC(=O)CSc1csc2c1cccn2 62a_100000747449_100009830249 [0,1,0,0,0,0|3,0,0]=4 307 B16R2.14 COC(=O)CSc1csc2c1cccn2 62a_100009830249_100000747449 [0,1,0,0,0,0|3,0,0]=4 308 B16R2.14 COC(=O)CSc1csc2c1ccnc2 62a_100000747449_100009817111 [0,1,0,0,0,0|3,0,0]=4 309 B16R2.14 COC(=O)CSc1csc2c1ccnc2 62a_100009817111_100000747449 [0,1,0,0,0,0|3,0,0]=4 310 B16R2.14 COC(=O)CSc1csc2c1cncc2 62a_100000747449_100010247091 [0,1,0,0,0,0|3,0,0]=4 311 B16R2.14 COC(=O)CSc1csc2c1cncc2 62a_100010247091_100000747449 [0,1,0,0,0,0|3,0,0]=4 312 B16R2.14 COC(=O)CSc1csc2c1nccc2 62a_100000747449_100010247092 [0,1,0,0,0,0|3,0,0]=4 313 B16R2.14 COC(=O)CSc1n[nH]c2c1cccc2 62a_100000747449_100000050141 [0,1,0,0,0,0|2,0,0]=3 314 B16R2.14 COC(=O)CSc1n[nH]c2c1cccn2 62a_100000747449_100009888962 [0,1,0,0,0,0|3,0,0]=4 315 B16R2.14 COC(=O)CSc1n[nH]c2c1ccnc2 62a_100000747449_100010244369 [0,1,0,0,0,0|3,0,0]=4 316 B16R2.14 COC(=O)CSc1n[nH]c2c1cncc2 62a_100000747449_100009820117 [0,1,0,0,0,0|3,0,0]=4 317 B16R2.14 COC(=O)CSc1n[nH]c2c1nccc2 62a_100000747449_100009817118 [0,1,0,0,0,0|3,0,0]=4 318 B16R2.14 COC(=O)CSc1noc2c1cccc2 62a_100000747449_200000703156 [0,1,0,0,0,0|3,0,0]=4 319 B16R2.14 COC(=O)CSc1noc2c1cccc2 62a_200000703156_100000747449 [0,1,0,0,0,0|3,0,0]=4 320 B16R2.14 O=C(C=Cc1c[nH]c2c1cccc2)CF 1458a_100016263948_100015361967 [0,1,0,0,0,0|1,0,2]=4 321 B16R2.14 O=C(CF)CCc1c[nH]c2c1cccc2 1458a_100000211458_100015361967 [0,1,0,0,0,0|1,0,0]=2 322 B16R2.14 O=C(CF)CCc1c[nH]c2c1cccn2 1458a_100102525369_100015361967 [0,1,0,0,0,0|2,0,0]=3 323 B16R2.14 O=C(CF)CCn1ccc2c1cccc2 1458a_100000186764_100015361967 [0,1,0,0,0,0|3,0,0]=4 324 B16R2.14 O=C(CF)CCn1cnc2c1cccc2 1458a_100000177575_100015361967 [0,1,0,0,0,0|2,0,1]=4 325 B16R2.14 O=C(CO)CCc1c[nH]c2c1cccc2 1458a_100000210174_100011218569 [0,1,0,0,0,0|0,0,0]=1 326 B16R2.14 O=C(CO)CCc1c[nH]c2c1cccn2 1458a_100000210174_100009895007 [0,1,0,0,0,0|1,0,0]=2 327 B16R2.14 O=C(CO)NCc1[nH]nc2c1cccc2 240690a_100011642502_100000210174 [0,1,0,0,0,0|2,0,1]=4 328 B16R2.14 O=C(CO)NCc1[nH]nc2c1cccc2 527a_100011642502_100000210174 [0,1,0,0,0,0|2,0,1]=4 329 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210174 [0,1,0,0,0,0|1,0,0]=2 330 B16R2.14 O=C(CO)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210174 [0,1,0,0,0,0|1,0,0]=2 331 B16R2.14 O=C(CO)NCc1cnc2n1cccc2 240690a_100015187830_100000210174 [0,1,0,0,0,0|2,0,1]=4 332 B16R2.14 O=C(CO)NCc1cnc2n1cccc2 527a_100015187830_100000210174 [0,1,0,0,0,0|2,0,1]=4 333 B16R2.14 O=C(CO)NCc1csc2c1cccc2 240690a_100000744611_100000210174 [0,1,0,0,0,0|2,0,0]=3 334 B16R2.14 O=C(CO)NCc1csc2c1cccc2 527a_100000744611_100000210174 [0,1,0,0,0,0|2,0,0]=3 335 B16R2.520 CC(=O)CC(=O)c1c[nH]c2c1cccc2 1458a_100000070787_100000183220 [0,1,0,0,0,0|1,0,1]=3 336 B16R2.520 CC(=O)CC(=O)c1coc2c1cccc2 1458a_100000070787_100000233777 [0,1,0,0,0,0|2,0,1]=4 337 B16R2.520 CC(=O)CC(=O)c1csc2c1cccc2 1458a_100000070787_100000689783 [0,1,0,0,0,0|2,0,1]=4 338 B16R2.520 CC(=O)CC(C)n1cnc2c1cccc2 1458a_100000689875_200000210301 [0,1,0,0,0,0|2,0,1]=4 339 B16R2.520 CC(CC(=O)[13CH3])n1cnc2c1cccc2 1458a_100000689875_200025704644 [0,1,0,0,0,0|2,0,1]=4 340 B16R2.520 NC(=O)CC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000187820 [0,1,0,0,0,0|2,0,1]=4 341 B16R2.520 O=C([O-])CC(=O)C1=CCc2c1cccc2 1458a_100000037392_100020667443 [0,1,0,0,0,0|1,0,2]=4 342 B16R2.2947 CS(=O)(=O)NCc1c[nH]c2c1cccc2 40a_100015202335_100000738038 [0,1,0,0,0,0|2,0,1]=4 343 B16R2.2976 CC(=O)CCn1ccc2c1ccc(c2)Br 1458a_100000721801_200000210301 [0,1,0,0,0,0|3,0,0]=4 344 B16R2.2976 CC(=O)CCn1ccc2c1ccc(c2)C 1458a_100000721861_200000210301 [0,1,0,0,0,0|3,0,0]=4 345 B16R2.2976 Cc1ccc2c(c1)ccn2CCC(=O)[13CH3] 1458a_100000721861_200025704644 [0,1,0,0,0,0|3,0,0]=4 346 B16R2.2976 Cc1ccc2c(n[nH]c2c1)SCC(=O)N 62a_100000747473_100000049534 [0,1,0,0,0,0|3,0,0]=4 347 B16R2.2976 Cc1ccc2c(n[nH]c2c1)SCC(=O)[O-] 62a_100020667443_100000049534 [0,1,0,0,0,0|2,0,1]=4 348 B16R2.2976 NC(=O)CSc1c[nH]c2c1ccc(n2)Cl 62a_100000747473_100010168512 [0,1,0,0,0,0|3,0,0]=4 349 B16R2.2976 NC(=O)CSc1c[nH]c2c1ccc(n2)F 62a_100000747473_100010168364 [0,1,0,0,0,0|3,0,0]=4 350 B16R2.2976 NC(=O)CSc1c[nH]c2c1cnc(c2)Br 62a_100000747473_100010206817 [0,1,0,0,0,0|3,0,0]=4 351 B16R2.2976 NC(=O)CSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000747473 [0,1,0,0,0,0|3,0,0]=4 352 B16R2.2976 NC(=O)CSc1c[nH]c2c1cnc(c2)Cl 62a_100000747473_100010206812 [0,1,0,0,0,0|3,0,0]=4 353 B16R2.2976 NC(=O)CSc1c[nH]c2c1ncc(c2)Br 62a_100000747473_100010208019 [0,1,0,0,0,0|3,0,0]=4 354 B16R2.2976 NC(=O)CSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000747473 [0,1,0,0,0,0|3,0,0]=4 355 B16R2.2976 NC(=O)CSc1n[nH]c2c1ccc(c2)Br 62a_100000747473_100010186045 [0,1,0,0,0,0|3,0,0]=4 356 B16R2.2976 NC(=O)CSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000747473 [0,1,0,0,0,0|3,0,0]=4 357 B16R2.2976 NC(=O)CSc1n[nH]c2c1ccc(c2)Cl 62a_100000747473_100000049627 [0,1,0,0,0,0|3,0,0]=4 358 B16R2.2976 NC(=O)CSc1n[nH]c2c1ccc(c2)F 62a_100000747473_100000049990 [0,1,0,0,0,0|3,0,0]=4 359 B16R2.2976 NC(=O)CSc1n[nH]c2c1ccc(c2)N 62a_100000747473_100009816878 [0,1,0,0,0,0|3,0,0]=4 360 B16R2.2976 Nc1ccc2c(n[nH]c2c1)SCC(=O)[O-] 62a_100020667443_100009816878 [0,1,0,0,0,0|2,0,1]=4 361 B16R2.2976 O=C([O-])CSc1c[nH]c2c1ccc(n2)Cl 62a_100020667443_100010168512 [0,1,0,0,0,0|2,0,1]=4 362 B16R2.2976 O=C([O-])CSc1c[nH]c2c1ccc(n2)F 62a_100020667443_100010168364 [0,1,0,0,0,0|2,0,1]=4 363 B16R2.2976 O=C([O-])CSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100020667443 [0,1,0,0,0,0|2,0,1]=4 364 B16R2.2976 O=C([O-])CSc1c[nH]c2c1cnc(c2)Br 62a_100020667443_100010206817 [0,1,0,0,0,0|2,0,1]=4 365 B16R2.2976 O=C([O-])CSc1c[nH]c2c1cnc(c2)Cl 62a_100020667443_100010206812 [0,1,0,0,0,0|2,0,1]=4 366 B16R2.2976 O=C([O-])CSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100020667443 [0,1,0,0,0,0|2,0,1]=4 367 B16R2.2976 O=C([O-])CSc1c[nH]c2c1ncc(c2)Br 62a_100020667443_100010208019 [0,1,0,0,0,0|2,0,1]=4 368 B16R2.2976 O=C([O-])CSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100020667443 [0,1,0,0,0,0|2,0,1]=4 369 B16R2.2976 O=C([O-])CSc1n[nH]c2c1ccc(c2)Br 62a_100020667443_100010186045 [0,1,0,0,0,0|2,0,1]=4 370 B16R2.2976 O=C([O-])CSc1n[nH]c2c1ccc(c2)Cl 62a_100020667443_100000049627 [0,1,0,0,0,0|2,0,1]=4 371 B16R2.2976 O=C([O-])CSc1n[nH]c2c1ccc(c2)F 62a_100020667443_100000049990 [0,1,0,0,0,0|2,0,1]=4 372 B16R2.2976 [13CH3]C(=O)CCn1ccc2c1ccc(c2)Br 1458a_100000721801_200025704644 [0,1,0,0,0,0|3,0,0]=4 373 B16R2.4003 CC(=O)CCn1c(=O)[nH]c2c1cccc2 1458a_100000070787_203549783246 [0,1,0,0,0,0|2,0,0]=3 374 B16R2.4003 CC(=O)CCn1c(=O)oc2c1cccc2 1458a_100000188164_200000210301 [0,1,0,0,0,0|3,0,0]=4 375 B16R2.4003 CC(=O)CCn1c(=O)sc2c1cccc2 1458a_200000014421_200000210301 [0,1,0,0,0,0|3,0,0]=4 376 B16R2.4003 CC(=O)CCn1c(cc2c1cccc2)C 1458a_100000239399_200000210301 [0,1,0,0,0,0|3,0,0]=4 377 B16R2.4003 CC(=O)CCn1c(nc2c1cccc2)C 1458a_100000704157_200000210301 [0,1,0,0,0,0|2,0,1]=4 378 B16R2.4003 CC(=O)NN=C1C(=O)Nc2c1cccc2 4a_100000189765_100000185742 [0,1,0,0,0,0|3,0,0]=4 379 B16R2.4003 Cc1[nH]c2ncccc2c1SCC(=O)N 62a_100000747473_100010174266 [0,1,0,0,0,0|3,0,0]=4 380 B16R2.4003 Cc1[nH]c2ncccc2c1SCC(=O)[O-] 62a_100020667443_100010174266 [0,1,0,0,0,0|2,0,1]=4 381 B16R2.4003 Cc1cc2ccccc2n1CCC(=O)[13CH3] 1458a_100000239399_200025704644 [0,1,0,0,0,0|3,0,0]=4 382 B16R2.4003 Cc1nc2ccccc2n1CCC(=O)[13CH3] 1458a_100000704157_200025704644 [0,1,0,0,0,0|2,0,1]=4 383 B16R2.4003 Cc1oc2ccccc2c1SCC(=O)N 62a_100000747473_200010236113 [0,1,0,0,0,0|3,0,0]=4 384 B16R2.4003 Cc1oc2ccccc2c1SCC(=O)[O-] 62a_100020667443_200010236113 [0,1,0,0,0,0|2,0,1]=4 385 B16R2.4003 Cc1sc2ccccc2c1SCC(=O)N 62a_100000747473_100010002616 [0,1,0,0,0,0|3,0,0]=4 386 B16R2.4003 Cc1sc2ccccc2c1SCC(=O)N 62a_100010002616_100000747473 [0,1,0,0,0,0|3,0,0]=4 387 B16R2.4003 Cc1sc2ccccc2c1SCC(=O)[O-] 62a_100010002616_100020667443 [0,1,0,0,0,0|2,0,1]=4 388 B16R2.4003 Cc1sc2ccccc2c1SCC(=O)[O-] 62a_100020667443_100010002616 [0,1,0,0,0,0|2,0,1]=4 389 B16R2.4003 NC(=O)CSC1C(=O)Nc2c1cccc2 62a_100000747473_200009996675 [0,1,0,0,0,0|2,0,1]=4 390 B16R2.4003 O=C(O)CNC1C(=O)Nc2c1cccc2 269956a_100016091260_200009996675 [0,1,0,0,0,0|1,0,1]=3 391 B16R2.4003 O=C([O-])CSC1C(=O)Nc2c1cccc2 62a_100020667443_200009996675 [0,1,0,0,0,0|1,0,2]=4 392 B16R2.4003 [13CH3]C(=O)CCn1c(=O)oc2c1cccc2 1458a_100000188164_200025704644 [0,1,0,0,0,0|3,0,0]=4 393 B16R2.4003 [13CH3]C(=O)CCn1c(=O)sc2c1cccc2 1458a_200000014421_200025704644 [0,1,0,0,0,0|3,0,0]=4 394 B16R2.15551 CC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200000210301 [0,1,0,0,0,0|1,0,0]=2 395 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(=O)N 62a_100000747473_100010212567 [0,1,0,0,0,0|3,0,0]=4 396 B16R2.15551 Cc1ccc2[nH]cc(c2n1)SCC(=O)[O-] 62a_100020667443_100010212567 [0,1,0,0,0,0|2,0,1]=4 397 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(=O)N 62a_100000747473_100000123028 [0,1,0,0,0,0|3,0,0]=4 398 B16R2.15551 Cc1ccc2[nH]nc(c2c1)SCC(=O)[O-] 62a_100020667443_100000123028 [0,1,0,0,0,0|2,0,1]=4 399 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(=O)N 62a_100000747473_100010246215 [0,1,0,0,0,0|3,0,0]=4 400 B16R2.15551 Cc1cnc2[nH]cc(c2c1)SCC(=O)[O-] 62a_100020667443_100010246215 [0,1,0,0,0,0|2,0,1]=4 401 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)Br 62a_100000747473_100011290788 [0,1,0,0,0,0|3,0,0]=4 402 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000747473 [0,1,0,0,0,0|3,0,0]=4 403 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)Cl 62a_100000747473_100000050100 [0,1,0,0,0,0|3,0,0]=4 404 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)F 62a_100000747473_100010168383 [0,1,0,0,0,0|3,0,0]=4 405 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(cn2)N 62a_100000747473_100010168510 [0,1,0,0,0,0|3,0,0]=4 406 B16R2.15551 NC(=O)CSc1c[nH]c2c1cc(nc2)Cl 62a_100000747473_100010168685 [0,1,0,0,0,0|3,0,0]=4 407 B16R2.15551 NC(=O)CSc1c[nH]c2c1nc(cc2)Br 62a_100000747473_100010168532 [0,1,0,0,0,0|3,0,0]=4 408 B16R2.15551 NC(=O)CSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000747473 [0,1,0,0,0,0|3,0,0]=4 409 B16R2.15551 NC(=O)CSc1c[nH]c2c1nc(cc2)Cl 62a_100000747473_100010168529 [0,1,0,0,0,0|3,0,0]=4 410 B16R2.15551 NC(=O)CSc1csc2c1cc(cc2)N 62a_100000747473_100011178648 [0,1,0,0,0,0|3,0,0]=4 411 B16R2.15551 NC(=O)CSc1csc2c1cc(cc2)N 62a_100011178648_100000747473 [0,1,0,0,0,0|3,0,0]=4 412 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)Br 62a_100000747473_100010186058 [0,1,0,0,0,0|3,0,0]=4 413 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)Cl 62a_100000747473_100010174404 [0,1,0,0,0,0|3,0,0]=4 414 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)F 62a_100000747473_100011934747 [0,1,0,0,0,0|3,0,0]=4 415 B16R2.15551 NC(=O)CSc1n[nH]c2c1cc(cc2)N 62a_100000747473_100012353729 [0,1,0,0,0,0|3,0,0]=4 416 B16R2.15551 Nc1ccc2[nH]nc(c2c1)SCC(=O)[O-] 62a_100020667443_100012353729 [0,1,0,0,0,0|2,0,1]=4 417 B16R2.15551 Nc1ccc2scc(c2c1)SCC(=O)[O-] 62a_100011178648_100020667443 [0,1,0,0,0,0|2,0,1]=4 418 B16R2.15551 Nc1ccc2scc(c2c1)SCC(=O)[O-] 62a_100020667443_100011178648 [0,1,0,0,0,0|2,0,1]=4 419 B16R2.15551 Nc1cnc2[nH]cc(c2c1)SCC(=O)[O-] 62a_100020667443_100010168510 [0,1,0,0,0,0|2,0,1]=4 420 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100020667443 [0,1,0,0,0,0|2,0,1]=4 421 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)Br 62a_100020667443_100011290788 [0,1,0,0,0,0|2,0,1]=4 422 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)Cl 62a_100020667443_100000050100 [0,1,0,0,0,0|2,0,1]=4 423 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(cn2)F 62a_100020667443_100010168383 [0,1,0,0,0,0|2,0,1]=4 424 B16R2.15551 O=C([O-])CSc1c[nH]c2c1cc(nc2)Cl 62a_100020667443_100010168685 [0,1,0,0,0,0|2,0,1]=4 425 B16R2.15551 O=C([O-])CSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100020667443 [0,1,0,0,0,0|2,0,1]=4 426 B16R2.15551 O=C([O-])CSc1c[nH]c2c1nc(cc2)Br 62a_100020667443_100010168532 [0,1,0,0,0,0|2,0,1]=4 427 B16R2.15551 O=C([O-])CSc1c[nH]c2c1nc(cc2)Cl 62a_100020667443_100010168529 [0,1,0,0,0,0|2,0,1]=4 428 B16R2.15551 O=C([O-])CSc1n[nH]c2c1cc(cc2)Br 62a_100020667443_100010186058 [0,1,0,0,0,0|2,0,1]=4 429 B16R2.15551 O=C([O-])CSc1n[nH]c2c1cc(cc2)Cl 62a_100020667443_100010174404 [0,1,0,0,0,0|2,0,1]=4 430 B16R2.15551 O=C([O-])CSc1n[nH]c2c1cc(cc2)F 62a_100020667443_100011934747 [0,1,0,0,0,0|2,0,1]=4 431 B16R2.15551 [13CH3]C(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_200025704644 [0,1,0,0,0,0|1,0,0]=2 432 B16R2.22833 Cc1cccc2c1[nH]nc2SCC(=O)N 62a_100000747473_100010186057 [0,1,0,0,0,0|3,0,0]=4 433 B16R2.22833 Cc1cccc2c1[nH]nc2SCC(=O)[O-] 62a_100020667443_100010186057 [0,1,0,0,0,0|2,0,1]=4 434 B16R2.22833 NC(=O)CSc1c[nH]c2c1nccc2Cl 62a_100000747473_100010168581 [0,1,0,0,0,0|3,0,0]=4 435 B16R2.22833 NC(=O)CSc1n[nH]c2c1cccc2Br 62a_100000747473_100010197283 [0,1,0,0,0,0|3,0,0]=4 436 B16R2.22833 NC(=O)CSc1n[nH]c2c1cccc2Cl 62a_100000747473_100000050086 [0,1,0,0,0,0|3,0,0]=4 437 B16R2.22833 NC(=O)CSc1n[nH]c2c1cccc2F 62a_100000747473_100010231504 [0,1,0,0,0,0|3,0,0]=4 438 B16R2.22833 NC(=O)CSc1n[nH]c2c1cccc2N 62a_100000747473_100009888981 [0,1,0,0,0,0|3,0,0]=4 439 B16R2.22833 NC(=O)CSc1n[nH]c2c1cccc2O 62a_100000747473_200010988877 [0,1,0,0,0,0|3,0,0]=4 440 B16R2.22833 Nc1cccc2c1[nH]nc2SCC(=O)[O-] 62a_100020667443_100009888981 [0,1,0,0,0,0|2,0,1]=4 441 B16R2.22833 O=C([O-])CSc1c[nH]c2c1nccc2Cl 62a_100020667443_100010168581 [0,1,0,0,0,0|2,0,1]=4 442 B16R2.22833 O=C([O-])CSc1n[nH]c2c1cccc2Br 62a_100020667443_100010197283 [0,1,0,0,0,0|2,0,1]=4 443 B16R2.22833 O=C([O-])CSc1n[nH]c2c1cccc2Cl 62a_100020667443_100000050086 [0,1,0,0,0,0|2,0,1]=4 444 B16R2.22833 O=C([O-])CSc1n[nH]c2c1cccc2F 62a_100020667443_100010231504 [0,1,0,0,0,0|2,0,1]=4 445 B16R2.22833 O=C([O-])CSc1n[nH]c2c1cccc2O 62a_100020667443_200010988877 [0,1,0,0,0,0|2,0,1]=4 446 B16R2.22904 Cc1cccc2c1c(n[nH]2)SCC(=O)N 62a_100000747473_100000049903 [0,1,0,0,0,0|3,0,0]=4 447 B16R2.22904 Cc1cccc2c1c(n[nH]2)SCC(=O)[O-] 62a_100020667443_100000049903 [0,1,0,0,0,0|2,0,1]=4 448 B16R2.22904 NC(=O)CSc1c[nH]c2c1c(ccn2)Br 62a_100000747473_100010212587 [0,1,0,0,0,0|3,0,0]=4 449 B16R2.22904 NC(=O)CSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000747473 [0,1,0,0,0,0|3,0,0]=4 450 B16R2.22904 NC(=O)CSc1c[nH]c2c1c(ccn2)Cl 62a_100000747473_100011356983 [0,1,0,0,0,0|3,0,0]=4 451 B16R2.22904 NC(=O)CSc1c[nH]c2c1c(ccn2)F 62a_100000747473_100010168365 [0,1,0,0,0,0|3,0,0]=4 452 B16R2.22904 NC(=O)CSc1n[nH]c2c1c(ccc2)Br 62a_100000747473_100010186043 [0,1,0,0,0,0|3,0,0]=4 453 B16R2.22904 NC(=O)CSc1n[nH]c2c1c(ccc2)Cl 62a_100000747473_100000049730 [0,1,0,0,0,0|3,0,0]=4 454 B16R2.22904 NC(=O)CSc1n[nH]c2c1c(ccc2)F 62a_100000747473_100000049989 [0,1,0,0,0,0|3,0,0]=4 455 B16R2.22904 NC(=O)CSc1n[nH]c2c1c(ccc2)N 62a_100000747473_100010186038 [0,1,0,0,0,0|3,0,0]=4 456 B16R2.22904 Nc1cccc2c1c(n[nH]2)SCC(=O)[O-] 62a_100020667443_100010186038 [0,1,0,0,0,0|2,0,1]=4 457 B16R2.22904 O=C([O-])CSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100020667443 [0,1,0,0,0,0|2,0,1]=4 458 B16R2.22904 O=C([O-])CSc1c[nH]c2c1c(ccn2)Br 62a_100020667443_100010212587 [0,1,0,0,0,0|2,0,1]=4 459 B16R2.22904 O=C([O-])CSc1c[nH]c2c1c(ccn2)Cl 62a_100020667443_100011356983 [0,1,0,0,0,0|2,0,1]=4 460 B16R2.22904 O=C([O-])CSc1c[nH]c2c1c(ccn2)F 62a_100020667443_100010168365 [0,1,0,0,0,0|2,0,1]=4 461 B16R2.22904 O=C([O-])CSc1n[nH]c2c1c(ccc2)Br 62a_100020667443_100010186043 [0,1,0,0,0,0|2,0,1]=4 462 B16R2.22904 O=C([O-])CSc1n[nH]c2c1c(ccc2)Cl 62a_100020667443_100000049730 [0,1,0,0,0,0|2,0,1]=4 463 B16R2.22904 O=C([O-])CSc1n[nH]c2c1c(ccc2)F 62a_100020667443_100000049989 [0,1,0,0,0,0|2,0,1]=4 464 B16R2.104522 CC(=O)CCc1cn(c2c1cccc2)C 1458a_100000686839_200000210301 [0,1,0,0,0,0|1,0,0]=2 465 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 11a_100011997738_100015343762 [0,1,0,0,0,0|2,0,0]=3 466 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 1626a_100011997738_100015343762 [0,1,0,0,0,0|2,0,0]=3 467 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 240690a_100011997738_100015343762 [0,1,0,0,0,0|2,0,0]=3 468 B16R2.104522 CC(=O)NCc1cn(c2c1cccc2)C 527a_100011997738_100103153847 [0,1,0,0,0,0|2,0,0]=3 469 B16R2.104522 CC(=O)NCc1nn(c2c1cccc2)C 11a_200011934655_100015343762 [0,1,0,0,0,0|3,0,0]=4 470 B16R2.104522 CC(=O)NCc1nn(c2c1cccc2)C 1626a_200011934655_100015343762 [0,1,0,0,0,0|3,0,0]=4 471 B16R2.104522 CC(=O)NCc1nn(c2c1cccc2)C 240690a_200011934655_100015343762 [0,1,0,0,0,0|3,0,0]=4 472 B16R2.104522 CC(=O)NCc1nn(c2c1cccc2)C 527a_200011934655_100103153847 [0,1,0,0,0,0|3,0,0]=4 473 B16R2.104522 Cn1cc(c2c1cccc2)CCC(=O)[13CH3] 1458a_100000686839_200025704644 [0,1,0,0,0,0|1,0,0]=2 474 B16R2.104522 Cn1cc(c2c1nccc2)SCC(=O)N 62a_100000747473_100010205794 [0,1,0,0,0,0|3,0,0]=4 475 B16R2.104522 Cn1cc(c2c1nccc2)SCC(=O)[O-] 62a_100020667443_100010205794 [0,1,0,0,0,0|2,0,1]=4 476 B16R2.104522 Cn1nc(c2c1cccc2)SCC(=O)N 62a_100000747473_100009817141 [0,1,0,0,0,0|3,0,0]=4 477 B16R2.104522 Cn1nc(c2c1cccc2)SCC(=O)N 62a_100009817141_100000747473 [0,1,0,0,0,0|3,0,0]=4 478 B16R2.104522 Cn1nc(c2c1cccc2)SCC(=O)[O-] 62a_100009817141_100020667443 [0,1,0,0,0,0|2,0,1]=4 479 B16R2.104522 Cn1nc(c2c1cccc2)SCC(=O)[O-] 62a_100020667443_100009817141 [0,1,0,0,0,0|2,0,1]=4 480 B14R1.96 C=Cc1ccccc1NCCC(=O)N 34a_100012022501_100000731001 [0,0,1,0,0,0|3,0,0]=4 481 B14R1.96 C=Cc1ccccc1SCCC(=O)C 62a_100000053229_100011218376 [0,0,1,0,0,0|3,0,0]=4 482 B14R1.96 C=Cc1ccccc1SCCC(=O)C 62a_100011218376_100000053229 [0,0,1,0,0,0|3,0,0]=4 483 B14R1.96 C=Cc1ccccc1SCCC(=O)N 62a_100000744528_100011218376 [0,0,1,0,0,0|3,0,0]=4 484 B14R1.96 C=Cc1ccccc1SCCC(=O)N 62a_100011218376_100000744528 [0,0,1,0,0,0|3,0,0]=4 485 B14R1.96 CC(=O)CCSc1ccccc1NN 62a_100000053229_100000241748 [0,0,1,0,0,0|3,0,0]=4 486 B14R1.96 CC(=O)CCSc1ccccc1NN 62a_100000241748_100000053229 [0,0,1,0,0,0|3,0,0]=4 487 B14R1.96 CNc1ccccc1OCCC(=O)N 34a_100000033821_100000731001 [0,0,1,0,0,0|2,0,1]=4 488 B14R1.96 CNc1ccccc1SCCC(=O)C 62a_100000053229_100020606079 [0,0,1,0,0,0|2,0,1]=4 489 B14R1.96 CNc1ccccc1SCCC(=O)C 62a_100020606079_100000053229 [0,0,1,0,0,0|2,0,1]=4 490 B14R1.96 CNc1ccccc1SCCC(=O)N 62a_100000744528_100020606079 [0,0,1,0,0,0|2,0,1]=4 491 B14R1.96 CNc1ccccc1SCCC(=O)N 62a_100020606079_100000744528 [0,0,1,0,0,0|2,0,1]=4 492 B14R1.96 NNc1ccccc1SCCC(=O)N 62a_100000241748_100000744528 [0,0,1,0,0,0|3,0,0]=4 493 B14R1.96 NNc1ccccc1SCCC(=O)N 62a_100000744528_100000241748 [0,0,1,0,0,0|3,0,0]=4 494 B14R1.160 CC(=O)CCC(=O)c1ccccc1F 1458a_100000070787_100000086012 [0,0,1,0,0,0|3,0,0]=4 495 B14R1.422 CC(=O)CCCCNc1ccccc1 34a_100000106764_100009817362 [0,0,1,0,0,0|1,0,2]=4 496 B14R1.422 O=C(O)CNC/C=C/c1ccccc1 269956a_100016091260_100016265936 [0,0,1,0,0,0|2,0,1]=4 497 B14R1.540 C=CC(NCC(=O)O)c1ccccc1 269956a_100016091260_200000085779 [0,0,1,0,0,0|2,0,1]=4 498 B14R1.540 CN[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200000210301 [0,0,1,0,0,0|2,0,1]=4 499 B14R1.540 [13CH3]N[C@H](CCC(=O)O)c1ccccc1 269956a_100020634680_200025704644 [0,0,1,0,0,0|2,0,1]=4 500 B16R3.2637 CN1CCc2c([nH]c3c2cccc3)C1 2230a_100000694026_200000210301 [0,0,0,1,0,0|3,0,0]=4 501 B16R3.2637 CN1CCc2c([nH]c3c2cccc3)C1 269982a_100000694026_200000210301 [0,0,0,1,0,0|3,0,0]=4 502 B16R3.2637 Oc1ccc2c(c1)[nH]c3c2cccc3 271570a_203496583355_100010206880 [0,0,0,1,0,0|1,0,2]=4 503 B16R3.2637 [13CH3]N1CCc2c([nH]c3c2cccc3)C1 2230a_100000694026_200025704644 [0,0,0,1,0,0|3,0,0]=4 504 B16R3.2637 [13CH3]N1CCc2c([nH]c3c2cccc3)C1 269982a_100000694026_200025704644 [0,0,0,1,0,0|3,0,0]=4 505 B14R2.2 CC(=O)C[n+]1csc2c1cccc2 1458a_100009813389_200000210301 [0,0,0,0,1,0|3,0,0]=4 506 B14R2.2 CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200000210301 [0,0,0,0,1,0|1,0,0]=2 507 B14R2.2 CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200000210301 [0,0,0,0,1,0|2,0,0]=3 508 B14R2.2 CC(=O)Cc1cnc2n1cccc2 1458a_100000070654_200000210301 [0,0,0,0,1,0|2,0,1]=4 509 B14R2.2 CC(=O)Cc1coc2c1cccc2 1458a_100000217546_200000210301 [0,0,0,0,1,0|2,0,0]=3 510 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000070787_200000742921 [0,0,0,0,1,0|2,0,0]=3 511 B14R2.2 CC(=O)Cc1csc2c1cccc2 1458a_100000741031_200000210301 [0,0,0,0,1,0|2,0,0]=3 512 B14R2.2 CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200000210301 [0,0,0,0,1,0|2,0,0]=3 513 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000070787_100009813815 [0,0,0,0,1,0|3,0,0]=4 514 B14R2.2 CC(=O)Cc1noc2c1cccc2 1458a_100000205995_200000210301 [0,0,0,0,1,0|3,0,0]=4 515 B14R2.2 CC(=O)Cn1ccc2c1cccc2 1458a_100000743657_200000210301 [0,0,0,0,1,0|3,0,0]=4 516 B14R2.2 CC(=O)Cn1cnc2c1cccc2 1458a_100025771165_200000210301 [0,0,0,0,1,0|2,0,1]=4 517 B14R2.2 [13CH3]C(=O)C[n+]1csc2c1cccc2 1458a_100009813389_200025704644 [0,0,0,0,1,0|3,0,0]=4 518 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_200025704644 [0,0,0,0,1,0|1,0,0]=2 519 B14R2.2 [13CH3]C(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_200025704644 [0,0,0,0,1,0|2,0,0]=3 520 B14R2.2 [13CH3]C(=O)Cc1cnc2n1cccc2 1458a_100000070654_200025704644 [0,0,0,0,1,0|2,0,1]=4 521 B14R2.2 [13CH3]C(=O)Cc1coc2c1cccc2 1458a_100000217546_200025704644 [0,0,0,0,1,0|2,0,0]=3 522 B14R2.2 [13CH3]C(=O)Cc1csc2c1cccc2 1458a_100000741031_200025704644 [0,0,0,0,1,0|2,0,0]=3 523 B14R2.2 [13CH3]C(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_200025704644 [0,0,0,0,1,0|2,0,0]=3 524 B14R2.2 [13CH3]C(=O)Cc1noc2c1cccc2 1458a_100000205995_200025704644 [0,0,0,0,1,0|3,0,0]=4 525 B14R2.2 [13CH3]C(=O)Cn1ccc2c1cccc2 1458a_100000743657_200025704644 [0,0,0,0,1,0|3,0,0]=4 526 B14R2.2 [13CH3]C(=O)Cn1cnc2c1cccc2 1458a_100025771165_200025704644 [0,0,0,0,1,0|2,0,1]=4 527 B14R2.31137 O=C(O)CNC1Cc2c1cccc2 269956a_100016091260_100009813401 [0,0,0,0,1,0|1,0,2]=4 528 B16R2.36 C=C(C)CCOc1csc2c1cccc2 34a_100000077758_100000730704 [0,0,0,0,0,1|3,0,0]=4 529 B16R2.36 C=C(C)CCOc1csc2c1cccc2 7a_100000077758_100000730704 [0,0,0,0,0,1|3,0,0]=4 530 B16R2.36 C=C(C)CCSc1c[nH]c2c1cccn2 62a_100000730704_100011934613 [0,0,0,0,0,1|3,0,0]=4 531 B16R2.36 C=C(C)CCSc1c[nH]c2c1ccnc2 62a_100000730704_100010232032 [0,0,0,0,0,1|3,0,0]=4 532 B16R2.36 C=C(C)CCSc1c[nH]c2c1cncc2 62a_100000730704_100000753697 [0,0,0,0,0,1|3,0,0]=4 533 B16R2.36 C=C(C)CCSc1c[nH]c2c1nccc2 62a_100000730704_100009817151 [0,0,0,0,0,1|3,0,0]=4 534 B16R2.36 C=C(C)CCSc1coc2c1cccc2 62a_100000730704_100009812202 [0,0,0,0,0,1|3,0,0]=4 535 B16R2.36 C=C(C)CCSc1csc2c1cccc2 62a_100000730704_100009813928 [0,0,0,0,0,1|3,0,0]=4 536 B16R2.36 C=C(C)CCSc1n[nH]c2c1cccc2 62a_100000730704_100000050141 [0,0,0,0,0,1|3,0,0]=4 537 B16R2.36 C=C(C)CNCc1csc2c1cccc2 34a_100000744611_100000748629 [0,0,0,0,0,1|3,0,0]=4 538 B16R2.36 C=C(C)COCc1csc2c1cccc2 34a_100000210245_200000742921 [0,0,0,0,0,1|3,0,0]=4 539 B16R2.36 C=C(C)COCc1csc2c1cccc2 34a_100011219454_100000748629 [0,0,0,0,0,1|3,0,0]=4 540 B16R2.36 C=C(C)CSCc1csc2c1cccc2 62a_100000748629_200000742921 [0,0,0,0,0,1|3,0,0]=4 541 B16R2.36 C=C(C)CSCc1csc2c1cccc2 62a_200000742921_100000211660 [0,0,0,0,0,1|3,0,0]=4 542 B16R2.36 C=C(F)CNCc1csc2c1cccc2 34a_100000744611_100009893438 [0,0,0,0,0,1|3,0,0]=4 543 B16R2.36 C=C(F)COCc1csc2c1cccc2 34a_100011219454_100009893438 [0,0,0,0,0,1|3,0,0]=4 544 B16R2.36 C=C(F)COCc1csc2c1cccc2 34a_200010262243_200000742921 [0,0,0,0,0,1|3,0,0]=4 545 B16R2.36 C=C(F)CSCc1csc2c1cccc2 62a_100000042424_200000742921 [0,0,0,0,0,1|3,0,0]=4 546 B16R2.36 C=C(F)CSCc1csc2c1cccc2 62a_200000742921_100000042424 [0,0,0,0,0,1|3,0,0]=4 547 B16R2.36 CC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_200000210301 [0,0,0,0,0,1|1,0,0]=2 548 B16R2.36 CC(=O)CCCn1cnc2c1cccc2 1458a_100000740953_200000210301 [0,0,0,0,0,1|2,0,1]=4 549 B16R2.36 CC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000053229 [0,0,0,0,0,1|2,0,0]=3 550 B16R2.36 CC(=O)CCSc1c[nH]c2c1cccn2 62a_100000053229_100011934613 [0,0,0,0,0,1|2,0,0]=3 551 B16R2.36 CC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000053229_100010232032 [0,0,0,0,0,1|2,0,0]=3 552 B16R2.36 CC(=O)CCSc1c[nH]c2c1cncc2 62a_100000053229_100000753697 [0,0,0,0,0,1|2,0,0]=3 553 B16R2.36 CC(=O)CCSc1c[nH]c2c1cncn2 62a_100000053229_100000072862 [0,0,0,0,0,1|3,0,0]=4 554 B16R2.36 CC(=O)CCSc1c[nH]c2c1cncn2 62a_100009817560_100000053229 [0,0,0,0,0,1|3,0,0]=4 555 B16R2.36 CC(=O)CCSc1c[nH]c2c1nccc2 62a_100000053229_100009817151 [0,0,0,0,0,1|2,0,0]=3 556 B16R2.36 CC(=O)CCSc1c[nH]c2c1nccn2 62a_100000053229_100009819587 [0,0,0,0,0,1|3,0,0]=4 557 B16R2.36 CC(=O)CCSc1cnc2n1cccc2 62a_100000053229_100011219245 [0,0,0,0,0,1|2,0,1]=4 558 B16R2.36 CC(=O)CCSc1cnn2c1cccc2 62a_100000053229_100009817726 [0,0,0,0,0,1|2,0,1]=4 559 B16R2.36 CC(=O)CCSc1coc2c1cccc2 62a_100000053229_100009812202 [0,0,0,0,0,1|2,0,0]=3 560 B16R2.36 CC(=O)CCSc1coc2c1nccc2 62a_100000053229_100009889148 [0,0,0,0,0,1|3,0,0]=4 561 B16R2.36 CC(=O)CCSc1csc2c1cccc2 62a_100000053229_100009813928 [0,0,0,0,0,1|2,0,0]=3 562 B16R2.36 CC(=O)CCSc1csc2c1cccn2 62a_100000053229_100009830249 [0,0,0,0,0,1|3,0,0]=4 563 B16R2.36 CC(=O)CCSc1csc2c1cccn2 62a_100009830249_100000053229 [0,0,0,0,0,1|3,0,0]=4 564 B16R2.36 CC(=O)CCSc1csc2c1ccnc2 62a_100000053229_100009817111 [0,0,0,0,0,1|3,0,0]=4 565 B16R2.36 CC(=O)CCSc1csc2c1ccnc2 62a_100009817111_100000053229 [0,0,0,0,0,1|3,0,0]=4 566 B16R2.36 CC(=O)CCSc1csc2c1cncc2 62a_100000053229_100010247091 [0,0,0,0,0,1|3,0,0]=4 567 B16R2.36 CC(=O)CCSc1csc2c1cncc2 62a_100010247091_100000053229 [0,0,0,0,0,1|3,0,0]=4 568 B16R2.36 CC(=O)CCSc1csc2c1nccc2 62a_100000053229_100010247092 [0,0,0,0,0,1|3,0,0]=4 569 B16R2.36 CC(=O)CCSc1n[nH]c2c1cccc2 62a_100000053229_100000050141 [0,0,0,0,0,1|2,0,0]=3 570 B16R2.36 CC(=O)CCSc1n[nH]c2c1cccn2 62a_100000053229_100009888962 [0,0,0,0,0,1|3,0,0]=4 571 B16R2.36 CC(=O)CCSc1n[nH]c2c1ccnc2 62a_100000053229_100010244369 [0,0,0,0,0,1|3,0,0]=4 572 B16R2.36 CC(=O)CCSc1n[nH]c2c1cncc2 62a_100000053229_100009820117 [0,0,0,0,0,1|3,0,0]=4 573 B16R2.36 CC(=O)CCSc1n[nH]c2c1nccc2 62a_100000053229_100009817118 [0,0,0,0,0,1|3,0,0]=4 574 B16R2.36 CC(=O)CCSc1noc2c1cccc2 62a_100000053229_200000703156 [0,0,0,0,0,1|3,0,0]=4 575 B16R2.36 CC(=O)CCSc1noc2c1cccc2 62a_200000703156_100000053229 [0,0,0,0,0,1|3,0,0]=4 576 B16R2.36 CC(=O)COCc1csc2c1cccc2 34a_100000211253_200000742921 [0,0,0,0,0,1|2,0,0]=3 577 B16R2.36 CC(=O)COCc1noc2c1cccc2 34a_100000211253_100009813815 [0,0,0,0,0,1|3,0,0]=4 578 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100015343762 [0,0,0,0,0,1|1,0,0]=2 579 B16R2.36 CC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100103153847 [0,0,0,0,0,1|1,0,0]=2 580 B16R2.36 CC(=O)NCCc1coc2c1cccc2 11a_100011934666_100015343762 [0,0,0,0,0,1|2,0,0]=3 581 B16R2.36 CC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100015343762 [0,0,0,0,0,1|2,0,0]=3 582 B16R2.36 CC(=O)NCCc1coc2c1cccc2 240690a_100011934666_100015343762 [0,0,0,0,0,1|2,0,0]=3 583 B16R2.36 CC(=O)NCCc1coc2c1cccc2 527a_100011934666_100103153847 [0,0,0,0,0,1|2,0,0]=3 584 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 11a_100000746447_100015343762 [0,0,0,0,0,1|2,0,1]=4 585 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 1626a_100000746447_100015343762 [0,0,0,0,0,1|2,0,1]=4 586 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 240690a_100000746447_100015343762 [0,0,0,0,0,1|2,0,1]=4 587 B16R2.36 CC(=O)NCCn1cnc2c1cccc2 527a_100000746447_100103153847 [0,0,0,0,0,1|2,0,1]=4 588 B16R2.36 CC(=O)NN=Cc1c[nH]c2c1cccc2 4a_100000189765_100000182151 [0,0,0,0,0,1|2,0,1]=4 589 B16R2.36 CC(=O)OCOc1csc2c1cccc2 34a_100000077758_100009813279 [0,0,0,0,0,1|3,0,0]=4 590 B16R2.36 CC(=O)OCSc1c[nH]c2c1cccn2 62a_100000076356_100011934613 [0,0,0,0,0,1|3,0,0]=4 591 B16R2.36 CC(=O)OCSc1c[nH]c2c1ccnc2 62a_100000076356_100010232032 [0,0,0,0,0,1|3,0,0]=4 592 B16R2.36 CC(=O)OCSc1c[nH]c2c1cncc2 62a_100000076356_100000753697 [0,0,0,0,0,1|3,0,0]=4 593 B16R2.36 CC(=O)OCSc1c[nH]c2c1nccc2 62a_100000076356_100009817151 [0,0,0,0,0,1|3,0,0]=4 594 B16R2.36 CC(=O)OCSc1coc2c1cccc2 62a_100000076356_100009812202 [0,0,0,0,0,1|3,0,0]=4 595 B16R2.36 CC(=O)OCSc1csc2c1cccc2 62a_100000076356_100009813928 [0,0,0,0,0,1|3,0,0]=4 596 B16R2.36 CC(=O)OCSc1n[nH]c2c1cccc2 62a_100000076356_100000050141 [0,0,0,0,0,1|3,0,0]=4 597 B16R2.36 CC(C)CNCc1c[nH]c2c1cccc2 270004a_100015202335_100000210432 [0,0,0,0,0,1|2,0,1]=4 598 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210206 [0,0,0,0,0,1|2,0,1]=4 599 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 2230a_100138425928_100011218569 [0,0,0,0,0,1|2,0,1]=4 600 B16R2.36 CC(C)NCCc1c[nH]c2c1cccc2 34a_100138425928_100011218569 [0,0,0,0,0,1|2,0,1]=4 601 B16R2.36 CC(C)OCCc1c[nH]c2c1cccc2 34a_100000212225_100011218569 [0,0,0,0,0,1|2,0,1]=4 602 B16R2.36 CC(C)OCCc1c[nH]c2c1cccc2 34a_100000752351_100000210206 [0,0,0,0,0,1|2,0,1]=4 603 B16R2.36 CC(C)SCCc1c[nH]c2c1cccc2 62a_100000210206_100011218569 [0,0,0,0,0,1|2,0,1]=4 604 B16R2.36 CC(O)CCOc1csc2c1cccc2 34a_100000077758_100012276601 [0,0,0,0,0,1|2,0,1]=4 605 B16R2.36 CC(O)CCOc1csc2c1cccc2 7a_100000077758_100012276601 [0,0,0,0,0,1|2,0,1]=4 606 B16R2.36 CC(O)CCSc1c[nH]c2c1cccn2 62a_100012276601_100011934613 [0,0,0,0,0,1|2,0,1]=4 607 B16R2.36 CC(O)CCSc1c[nH]c2c1ccnc2 62a_100012276601_100010232032 [0,0,0,0,0,1|2,0,1]=4 608 B16R2.36 CC(O)CCSc1c[nH]c2c1cncc2 62a_100012276601_100000753697 [0,0,0,0,0,1|2,0,1]=4 609 B16R2.36 CC(O)CCSc1c[nH]c2c1nccc2 62a_100012276601_100009817151 [0,0,0,0,0,1|2,0,1]=4 610 B16R2.36 CC(O)CCSc1coc2c1cccc2 62a_100012276601_100009812202 [0,0,0,0,0,1|2,0,1]=4 611 B16R2.36 CC(O)CCSc1csc2c1cccc2 62a_100012276601_100009813928 [0,0,0,0,0,1|2,0,1]=4 612 B16R2.36 CC(O)CCSc1n[nH]c2c1cccc2 62a_100012276601_100000050141 [0,0,0,0,0,1|2,0,1]=4 613 B16R2.36 CC(O)CNCc1c[nH]c2c1ccnc2 270004a_100000210904_100000087688 [0,0,0,0,0,1|2,0,1]=4 614 B16R2.36 CC(O)CNCc1coc2c1cccc2 207a_100000210904_100000688544 [0,0,0,0,0,1|2,0,1]=4 615 B16R2.36 CC(O)CNCc1coc2c1cccc2 270004a_100000210904_100000688544 [0,0,0,0,0,1|2,0,1]=4 616 B16R2.36 CC(O)CNCc1csc2c1cccc2 207a_100000210904_100000239721 [0,0,0,0,0,1|2,0,1]=4 617 B16R2.36 CC(O)CNCc1csc2c1cccc2 2230a_100000210904_200000742921 [0,0,0,0,0,1|2,0,1]=4 618 B16R2.36 CC(O)CNCc1csc2c1cccc2 270004a_100000210904_100000239721 [0,0,0,0,0,1|2,0,1]=4 619 B16R2.36 CC(O)CNCc1csc2c1cccc2 34a_100000210904_200000742921 [0,0,0,0,0,1|2,0,1]=4 620 B16R2.36 CC(O)CNCc1csc2c1cccc2 34a_100000744611_100011218427 [0,0,0,0,0,1|2,0,1]=4 621 B16R2.36 CC(O)CNCc1n[nH]c2c1cccc2 207a_100000210904_100000059708 [0,0,0,0,0,1|2,0,1]=4 622 B16R2.36 CC(O)CNCc1n[nH]c2c1cccc2 270004a_100000210904_100000059708 [0,0,0,0,0,1|2,0,1]=4 623 B16R2.36 CC(O)COCc1csc2c1cccc2 34a_100011219454_100011218427 [0,0,0,0,0,1|2,0,1]=4 624 B16R2.36 CC(O)CSCc1csc2c1cccc2 62a_100011218427_200000742921 [0,0,0,0,0,1|2,0,1]=4 625 B16R2.36 CC(O)CSCc1csc2c1cccc2 62a_200000742921_100011218427 [0,0,0,0,0,1|2,0,1]=4 626 B16R2.36 C[C@@H](O)CNCc1csc2c1cccc2 34a_100000744611_100009817552 [0,0,0,0,0,1|2,0,1]=4 627 B16R2.36 C[C@@H](O)COCc1csc2c1cccc2 34a_100011219454_100009817552 [0,0,0,0,0,1|2,0,1]=4 628 B16R2.36 C[C@@H](O)CSCc1csc2c1cccc2 62a_100009817552_200000742921 [0,0,0,0,0,1|2,0,1]=4 629 B16R2.36 C[C@@H](O)CSCc1csc2c1cccc2 62a_200000742921_100009817552 [0,0,0,0,0,1|2,0,1]=4 630 B16R2.36 NC(=O)CCNc1n[nH]c2c1cccn2 27a_100000740010_100009818534 [0,0,0,0,0,1|3,0,0]=4 631 B16R2.36 NC(=O)CCNc1n[nH]c2c1cncc2 27a_100000740010_100009820117 [0,0,0,0,0,1|3,0,0]=4 632 B16R2.36 NC(=O)CCNc1n[nH]c2c1nccc2 27a_100000740010_100009817118 [0,0,0,0,0,1|3,0,0]=4 633 B16R2.36 NC(=O)CCOc1csc2c1cccc2 34a_100000077758_100000731001 [0,0,0,0,0,1|2,0,0]=3 634 B16R2.36 NC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000744528 [0,0,0,0,0,1|2,0,0]=3 635 B16R2.36 NC(=O)CCSc1c[nH]c2c1cccn2 62a_100000744528_100011934613 [0,0,0,0,0,1|2,0,0]=3 636 B16R2.36 NC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000744528_100010232032 [0,0,0,0,0,1|2,0,0]=3 637 B16R2.36 NC(=O)CCSc1c[nH]c2c1cncc2 62a_100000744528_100000753697 [0,0,0,0,0,1|2,0,0]=3 638 B16R2.36 NC(=O)CCSc1c[nH]c2c1cncn2 62a_100000744528_100000072862 [0,0,0,0,0,1|3,0,0]=4 639 B16R2.36 NC(=O)CCSc1c[nH]c2c1cncn2 62a_100009817560_100000744528 [0,0,0,0,0,1|3,0,0]=4 640 B16R2.36 NC(=O)CCSc1c[nH]c2c1nccc2 62a_100000744528_100009817151 [0,0,0,0,0,1|2,0,0]=3 641 B16R2.36 NC(=O)CCSc1c[nH]c2c1nccn2 62a_100000744528_100009819587 [0,0,0,0,0,1|3,0,0]=4 642 B16R2.36 NC(=O)CCSc1cnc2n1cccc2 62a_100000744528_100011219245 [0,0,0,0,0,1|2,0,1]=4 643 B16R2.36 NC(=O)CCSc1cnn2c1cccc2 62a_100000744528_100009817726 [0,0,0,0,0,1|2,0,1]=4 644 B16R2.36 NC(=O)CCSc1coc2c1cccc2 62a_100000744528_100009812202 [0,0,0,0,0,1|2,0,0]=3 645 B16R2.36 NC(=O)CCSc1coc2c1nccc2 62a_100000744528_100009889148 [0,0,0,0,0,1|3,0,0]=4 646 B16R2.36 NC(=O)CCSc1csc2c1cccc2 62a_100000744528_100009813928 [0,0,0,0,0,1|2,0,0]=3 647 B16R2.36 NC(=O)CCSc1csc2c1cccn2 62a_100000744528_100009830249 [0,0,0,0,0,1|3,0,0]=4 648 B16R2.36 NC(=O)CCSc1csc2c1cccn2 62a_100009830249_100000744528 [0,0,0,0,0,1|3,0,0]=4 649 B16R2.36 NC(=O)CCSc1csc2c1ccnc2 62a_100000744528_100009817111 [0,0,0,0,0,1|3,0,0]=4 650 B16R2.36 NC(=O)CCSc1csc2c1ccnc2 62a_100009817111_100000744528 [0,0,0,0,0,1|3,0,0]=4 651 B16R2.36 NC(=O)CCSc1csc2c1cncc2 62a_100000744528_100010247091 [0,0,0,0,0,1|3,0,0]=4 652 B16R2.36 NC(=O)CCSc1csc2c1cncc2 62a_100010247091_100000744528 [0,0,0,0,0,1|3,0,0]=4 653 B16R2.36 NC(=O)CCSc1csc2c1nccc2 62a_100000744528_100010247092 [0,0,0,0,0,1|3,0,0]=4 654 B16R2.36 NC(=O)CCSc1n[nH]c2c1cccc2 62a_100000744528_100000050141 [0,0,0,0,0,1|2,0,0]=3 655 B16R2.36 NC(=O)CCSc1n[nH]c2c1cccn2 62a_100000744528_100009888962 [0,0,0,0,0,1|3,0,0]=4 656 B16R2.36 NC(=O)CCSc1n[nH]c2c1ccnc2 62a_100000744528_100010244369 [0,0,0,0,0,1|3,0,0]=4 657 B16R2.36 NC(=O)CCSc1n[nH]c2c1cncc2 62a_100000744528_100009820117 [0,0,0,0,0,1|3,0,0]=4 658 B16R2.36 NC(=O)CCSc1n[nH]c2c1nccc2 62a_100000744528_100009817118 [0,0,0,0,0,1|3,0,0]=4 659 B16R2.36 NC(=O)CCSc1noc2c1cccc2 62a_100000744528_200000703156 [0,0,0,0,0,1|3,0,0]=4 660 B16R2.36 NC(=O)CCSc1noc2c1cccc2 62a_200000703156_100000744528 [0,0,0,0,0,1|3,0,0]=4 661 B16R2.36 NC(=O)CNCc1cnc2n1cccc2 2230a_100015187830_100000747473 [0,0,0,0,0,1|2,0,1]=4 662 B16R2.36 NC(=O)CNCc1csc2c1cccc2 2230a_100000711301_200000742921 [0,0,0,0,0,1|2,0,0]=3 663 B16R2.36 NC(=O)CNCc1csc2c1cccc2 34a_100000744611_100000187820 [0,0,0,0,0,1|2,0,0]=3 664 B16R2.36 NC(=O)COCc1csc2c1cccc2 34a_100011219454_100000187820 [0,0,0,0,0,1|2,0,0]=3 665 B16R2.36 NC(=O)CSCc1csc2c1cccc2 62a_100000747473_200000742921 [0,0,0,0,0,1|2,0,0]=3 666 B16R2.36 NC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000747473 [0,0,0,0,0,1|2,0,0]=3 667 B16R2.36 NC(=O)CSCc1noc2c1cccc2 62a_100000747473_100009813815 [0,0,0,0,0,1|3,0,0]=4 668 B16R2.36 NC(=O)CSCc1noc2c1cccc2 62a_100009813815_100000747473 [0,0,0,0,0,1|3,0,0]=4 669 B16R2.36 O=C(O)CNCc1csc2c1cccc2 269956a_100016091260_200000742921 [0,0,0,0,0,1|1,0,0]=2 670 B16R2.36 O=C(O)CNCc1nnc2n1cccc2 269956a_100016091260_100000037651 [0,0,0,0,0,1|2,0,1]=4 671 B16R2.36 O=C(O)CNCc1noc2c1cccc2 269956a_100016091260_100009813815 [0,0,0,0,0,1|2,0,0]=3 672 B16R2.36 O=C([O-])CNCc1csc2c1cccc2 34a_100000744611_100020667443 [0,0,0,0,0,1|1,0,1]=3 673 B16R2.36 O=C([O-])COCc1csc2c1cccc2 34a_100011219454_100020667443 [0,0,0,0,0,1|1,0,1]=3 674 B16R2.36 O=C([O-])CSCc1csc2c1cccc2 62a_100020667443_200000742921 [0,0,0,0,0,1|1,0,1]=3 675 B16R2.36 O=C([O-])CSCc1csc2c1cccc2 62a_200000742921_100020667443 [0,0,0,0,0,1|1,0,1]=3 676 B16R2.36 O=C([O-])CSCc1noc2c1cccc2 62a_100009813815_100020667443 [0,0,0,0,0,1|2,0,1]=4 677 B16R2.36 O=C([O-])CSCc1noc2c1cccc2 62a_100020667443_100009813815 [0,0,0,0,0,1|2,0,1]=4 678 B16R2.36 O=[N+]([O-])CNCc1csc2c1cccc2 34a_100000744611_100000761209 [0,0,0,0,0,1|2,0,1]=4 679 B16R2.36 O=[N+]([O-])COCc1csc2c1cccc2 34a_100011219454_100000761209 [0,0,0,0,0,1|2,0,1]=4 680 B16R2.36 O=[N+]([O-])CSCc1csc2c1cccc2 62a_200000742921_100000761209 [0,0,0,0,0,1|2,0,1]=4 681 B16R2.36 [13CH3]C(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_200025704644 [0,0,0,0,0,1|1,0,0]=2 682 B16R2.36 [13CH3]C(=O)CCCn1cnc2c1cccc2 1458a_100000740953_200025704644 [0,0,0,0,0,1|2,0,1]=4 683 B16R2.477 CC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200000210301 [0,0,0,0,0,1|2,0,0]=3 684 B16R2.477 CC(=O)COc1ccc2ccccc2c1 1458a_100000185456_200000210301 [0,0,0,0,0,1|3,0,0]=4 685 B16R2.477 CC(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200000210301 [0,0,0,0,0,1|3,0,0]=4 686 B16R2.477 CC(=O)CSc1cnc2ccccc2n1 1458a_100000185120_200000210301 [0,0,0,0,0,1|2,0,1]=4 687 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 11a_100000739491_100015343762 [0,0,0,0,0,1|3,0,0]=4 688 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 1626a_100000739491_100015343762 [0,0,0,0,0,1|3,0,0]=4 689 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 240690a_100000739491_100015343762 [0,0,0,0,0,1|3,0,0]=4 690 B16R2.477 CC(=O)NCc1ccc2ccccc2c1 527a_100000739491_100103153847 [0,0,0,0,0,1|3,0,0]=4 691 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 11a_100015185970_100015343762 [0,0,0,0,0,1|3,0,0]=4 692 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 1626a_100015185970_100015343762 [0,0,0,0,0,1|3,0,0]=4 693 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 240690a_100015185970_100015343762 [0,0,0,0,0,1|3,0,0]=4 694 B16R2.477 CC(=O)NCc1ccc2ccccc2n1 527a_100015185970_100103153847 [0,0,0,0,0,1|3,0,0]=4 695 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 11a_100000742225_100015343762 [0,0,0,0,0,1|2,0,1]=4 696 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 240690a_100000742225_100015343762 [0,0,0,0,0,1|2,0,1]=4 697 B16R2.477 CC(=O)NCc1cnc2ccccc2c1 527a_100000742225_100103153847 [0,0,0,0,0,1|2,0,1]=4 698 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000187820 [0,0,0,0,0,1|3,0,0]=4 699 B16R2.477 NC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000187820 [0,0,0,0,0,1|3,0,0]=4 700 B16R2.477 NC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000187820 [0,0,0,0,0,1|3,0,0]=4 701 B16R2.477 NC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000187820 [0,0,0,0,0,1|3,0,0]=4 702 B16R2.477 NC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000187820 [0,0,0,0,0,1|2,0,1]=4 703 B16R2.477 NC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000187820 [0,0,0,0,0,1|2,0,1]=4 704 B16R2.477 NC(=O)CSc1ccc2ccccc2c1 62a_100000747473_100000233703 [0,0,0,0,0,1|3,0,0]=4 705 B16R2.477 NC(=O)CSc1ccc2ccccc2n1 62a_100000747473_100011291633 [0,0,0,0,0,1|3,0,0]=4 706 B16R2.477 NC(=O)CSc1ccc2ccccc2n1 62a_100011291633_100000747473 [0,0,0,0,0,1|3,0,0]=4 707 B16R2.477 NC(=O)CSc1cnc2ccccc2c1 62a_100000747473_100000737414 [0,0,0,0,0,1|2,0,1]=4 708 B16R2.477 NC(=O)CSc1cnc2ccccc2n1 62a_100000747473_100000756483 [0,0,0,0,0,1|2,0,1]=4 709 B16R2.477 NC(=O)CSc1cnc2ccccc2n1 62a_100000756483_100000747473 [0,0,0,0,0,1|2,0,1]=4 710 B16R2.477 O=C([O-])CNc1ccc2ccccc2c1 34a_100000211940_100020667443 [0,0,0,0,0,1|2,0,1]=4 711 B16R2.477 O=C([O-])COc1ccc2ccccc2c1 34a_100000185828_100020667443 [0,0,0,0,0,1|2,0,1]=4 712 B16R2.477 O=C([O-])COc1cnc2ccccc2c1 34a_100011934006_100020667443 [0,0,0,0,0,1|1,0,2]=4 713 B16R2.477 O=C([O-])CSc1ccc2ccccc2c1 62a_100020667443_100000233703 [0,0,0,0,0,1|2,0,1]=4 714 B16R2.477 O=C([O-])CSc1ccc2ccccc2n1 62a_100011291633_100020667443 [0,0,0,0,0,1|2,0,1]=4 715 B16R2.477 O=C([O-])CSc1ccc2ccccc2n1 62a_100020667443_100011291633 [0,0,0,0,0,1|2,0,1]=4 716 B16R2.477 O=C([O-])CSc1cnc2ccccc2c1 62a_100020667443_100000737414 [0,0,0,0,0,1|1,0,2]=4 717 B16R2.477 O=C([O-])CSc1cnc2ccccc2n1 62a_100000756483_100020667443 [0,0,0,0,0,1|1,0,2]=4 718 B16R2.477 O=C([O-])CSc1cnc2ccccc2n1 62a_100020667443_100000756483 [0,0,0,0,0,1|1,0,2]=4 719 B16R2.477 [13CH3]C(=O)CCc1ccc2ccccc2c1 1458a_100000743016_200025704644 [0,0,0,0,0,1|2,0,0]=3 720 B16R2.477 [13CH3]C(=O)COc1ccc2ccccc2c1 1458a_100000185456_200025704644 [0,0,0,0,0,1|3,0,0]=4 721 B16R2.477 [13CH3]C(=O)CSc1ccc2ccccc2c1 1458a_100000181792_200025704644 [0,0,0,0,0,1|3,0,0]=4 722 B16R2.477 [13CH3]C(=O)CSc1cnc2ccccc2n1 1458a_100000185120_200025704644 [0,0,0,0,0,1|2,0,1]=4 723 B16R2.179941 CC(=O)CCc1cccc2c1cccc2 1458a_100000070787_100011290781 [0,0,0,0,0,1|2,0,0]=3 724 B16R2.179941 CC(=O)CCc1cccc2c1cccc2 1458a_100011218451_200000210301 [0,0,0,0,0,1|2,0,0]=3 725 B16R2.179941 CC(=O)COc1cccc2c1cccc2 1458a_100000183701_200000210301 [0,0,0,0,0,1|3,0,0]=4 726 B16R2.179941 CC(=O)COc1ncnc2c1cccc2 1458a_100000216300_200000210301 [0,0,0,0,0,1|2,0,1]=4 727 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 11a_100000753325_100015343762 [0,0,0,0,0,1|3,0,0]=4 728 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 1626a_100000753325_100015343762 [0,0,0,0,0,1|3,0,0]=4 729 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 240690a_100000753325_100015343762 [0,0,0,0,0,1|3,0,0]=4 730 B16R2.179941 CC(=O)NCc1cccc2c1cccc2 527a_100000753325_100103153847 [0,0,0,0,0,1|3,0,0]=4 731 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 11a_100015187208_100015343762 [0,0,0,0,0,1|2,0,1]=4 732 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 1626a_100015187208_100015343762 [0,0,0,0,0,1|2,0,1]=4 733 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 240690a_100015187208_100015343762 [0,0,0,0,0,1|2,0,1]=4 734 B16R2.179941 CC(=O)NCc1ccnc2c1cccc2 527a_100015187208_100103153847 [0,0,0,0,0,1|2,0,1]=4 735 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 11a_100000735229_100015343762 [0,0,0,0,0,1|3,0,0]=4 736 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 240690a_100000735229_100015343762 [0,0,0,0,0,1|3,0,0]=4 737 B16R2.179941 CC(=O)NCc1nccc2c1cccc2 527a_100000735229_100103153847 [0,0,0,0,0,1|3,0,0]=4 738 B16R2.179941 NC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000187820 [0,0,0,0,0,1|3,0,0]=4 739 B16R2.179941 NC(=O)COc1cccc2c1cccc2 34a_100000210388_100000187820 [0,0,0,0,0,1|3,0,0]=4 740 B16R2.179941 NC(=O)COc1cccc2c1cccc2 7a_100000210388_100000187820 [0,0,0,0,0,1|3,0,0]=4 741 B16R2.179941 NC(=O)COc1cncc2c1cccc2 34a_100000066178_100000187820 [0,0,0,0,0,1|2,0,1]=4 742 B16R2.179941 NC(=O)COc1cncc2c1cccc2 7a_100000066178_100000187820 [0,0,0,0,0,1|2,0,1]=4 743 B16R2.179941 NC(=O)COc1nccc2c1cccc2 34a_102531767632_100000187820 [0,0,0,0,0,1|3,0,0]=4 744 B16R2.179941 NC(=O)CSc1cccc2c1cccc2 62a_100000747473_100000210605 [0,0,0,0,0,1|3,0,0]=4 745 B16R2.179941 NC(=O)CSc1ccnc2c1cccc2 62a_100000747473_100011215880 [0,0,0,0,0,1|2,0,1]=4 746 B16R2.179941 NC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000747473 [0,0,0,0,0,1|2,0,1]=4 747 B16R2.179941 NC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000747473 [0,0,0,0,0,1|2,0,1]=4 748 B16R2.179941 NC(=O)CSc1cncc2c1cccc2 62a_100000747473_100000187577 [0,0,0,0,0,1|2,0,1]=4 749 B16R2.179941 NC(=O)CSc1cnnc2c1cccc2 62a_100000747473_100000063506 [0,0,0,0,0,1|2,0,1]=4 750 B16R2.179941 NC(=O)CSc1nccc2c1cccc2 62a_100000747473_100011934041 [0,0,0,0,0,1|3,0,0]=4 751 B16R2.179941 NC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000747473 [0,0,0,0,0,1|3,0,0]=4 752 B16R2.179941 NC(=O)CSc1ncnc2c1cccc2 62a_100000747473_100000217608 [0,0,0,0,0,1|2,0,1]=4 753 B16R2.179941 NC(=O)CSc1ncnc2c1cccc2 62a_100000753007_100000747473 [0,0,0,0,0,1|2,0,1]=4 754 B16R2.179941 O=C([O-])CNc1cccc2c1cccc2 34a_100000185869_100020667443 [0,0,0,0,0,1|2,0,1]=4 755 B16R2.179941 O=C([O-])COc1cccc2c1cccc2 34a_100000210388_100020667443 [0,0,0,0,0,1|2,0,1]=4 756 B16R2.179941 O=C([O-])COc1cncc2c1cccc2 34a_100000066178_100020667443 [0,0,0,0,0,1|1,0,2]=4 757 B16R2.179941 O=C([O-])COc1nccc2c1cccc2 34a_102531767632_100020667443 [0,0,0,0,0,1|2,0,1]=4 758 B16R2.179941 O=C([O-])CSc1cccc2c1cccc2 62a_100020667443_100000210605 [0,0,0,0,0,1|2,0,1]=4 759 B16R2.179941 O=C([O-])CSc1ccnc2c1cccc2 62a_100011458314_100020667443 [0,0,0,0,0,1|1,0,2]=4 760 B16R2.179941 O=C([O-])CSc1ccnc2c1cccc2 62a_100020667443_100011215880 [0,0,0,0,0,1|1,0,2]=4 761 B16R2.179941 O=C([O-])CSc1cncc2c1cccc2 62a_100000187577_100020667443 [0,0,0,0,0,1|1,0,2]=4 762 B16R2.179941 O=C([O-])CSc1cncc2c1cccc2 62a_100020667443_100000187577 [0,0,0,0,0,1|1,0,2]=4 763 B16R2.179941 O=C([O-])CSc1cnnc2c1cccc2 62a_100020667443_100000063506 [0,0,0,0,0,1|1,0,2]=4 764 B16R2.179941 O=C([O-])CSc1nccc2c1cccc2 62a_100011934041_100020667443 [0,0,0,0,0,1|2,0,1]=4 765 B16R2.179941 O=C([O-])CSc1nccc2c1cccc2 62a_100020667443_100011934041 [0,0,0,0,0,1|2,0,1]=4 766 B16R2.179941 O=C([O-])CSc1ncnc2c1cccc2 62a_100000753007_100020667443 [0,0,0,0,0,1|1,0,2]=4 767 B16R2.179941 O=C([O-])CSc1ncnc2c1cccc2 62a_100020667443_100000217608 [0,0,0,0,0,1|1,0,2]=4 768 B16R2.179941 [13CH3]C(=O)CCc1cccc2c1cccc2 1458a_100011218451_200025704644 [0,0,0,0,0,1|2,0,0]=3 769 B16R2.179941 [13CH3]C(=O)COc1cccc2c1cccc2 1458a_100000183701_200025704644 [0,0,0,0,0,1|3,0,0]=4 770 B16R2.179941 [13CH3]C(=O)COc1ncnc2c1cccc2 1458a_100000216300_200025704644 [0,0,0,0,0,1|2,0,1]=4 771 B13R1.158 CC(=O)CCOc1ccccc1N 7a_100000185747_100000053229 [1,0,1,0,0,0|2,0,0]=4 772 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000053229_100000210017 [1,0,1,0,0,0|2,0,0]=4 773 B13R1.158 CC(=O)CCSc1ccccc1N 62a_100000210017_100000053229 [1,0,1,0,0,0|2,0,0]=4 774 B13R1.158 NC(=O)CCOc1ccccc1N 34a_100000185747_100000731001 [1,0,1,0,0,0|2,0,0]=4 775 B13R1.158 NC(=O)CCOc1ccccc1N 7a_100000185747_100000744528 [1,0,1,0,0,0|2,0,0]=4 776 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000210017_100000744528 [1,0,1,0,0,0|2,0,0]=4 777 B13R1.158 NC(=O)CCSc1ccccc1N 62a_100000744528_100000210017 [1,0,1,0,0,0|2,0,0]=4 778 B13R1.45 CC(=O)CCC(=O)c1ccccc1 1458a_100000070787_100000750707 [1,0,1,0,0,0|2,0,0]=4 779 B13R1.28 C=CCCC=NNc1ccccc1 4a_100015195140_100011216789 [1,0,1,0,0,0|2,0,0]=4 780 B15R1.85 C=Cc1ccccc1NCCC(=O)OC 34a_100012022501_100000742370 [0,1,1,0,0,0|2,0,0]=4 781 B15R1.85 C=Cc1ccccc1SCCC(=O)OC 62a_100000204255_100011218376 [0,1,1,0,0,0|2,0,0]=4 782 B15R1.85 C=Cc1ccccc1SCCC(=O)OC 62a_100011218376_100000204255 [0,1,1,0,0,0|2,0,0]=4 783 B15R1.85 CNc1ccccc1OCCC(=O)OC 34a_100000033821_100000742370 [0,1,1,0,0,0|1,0,1]=4 784 B15R1.85 CNc1ccccc1SCCC(=O)OC 62a_100000204255_100020606079 [0,1,1,0,0,0|1,0,1]=4 785 B15R1.85 CNc1ccccc1SCCC(=O)OC 62a_100020606079_100000204255 [0,1,1,0,0,0|1,0,1]=4 786 B15R1.85 COC(=O)CCSc1ccccc1NN 62a_100000204255_100000241748 [0,1,1,0,0,0|2,0,0]=4 787 B15R1.85 COC(=O)CCSc1ccccc1NN 62a_100000241748_100000204255 [0,1,1,0,0,0|2,0,0]=4 788 B15R1.589 CC(=O)CCSc1ccccc1NC=O 62a_100000053229_200020615051 [0,1,1,0,0,0|2,0,0]=4 789 B15R1.589 CC(=O)CCSc1ccccc1NC=O 62a_200020615051_100000053229 [0,1,1,0,0,0|2,0,0]=4 790 B15R1.589 NC(=O)CCSc1ccccc1NC=O 62a_100000744528_200020615051 [0,1,1,0,0,0|2,0,0]=4 791 B15R1.589 NC(=O)CCSc1ccccc1NC=O 62a_200020615051_100000744528 [0,1,1,0,0,0|2,0,0]=4 792 B15R1.5815 O=C(CO)CCC(=O)c1ccccc1F 1458a_100000210174_100000086012 [0,1,1,0,0,0|2,0,0]=4 793 B15R1.962 COC(=O)CCC=NNc1ccccc1 4a_100015195140_100012047195 [0,1,1,0,0,0|1,0,0]=3 794 B15R1.962 COC(=O)CCC=NNc1ccccn1 4a_100000183288_100012047195 [0,1,1,0,0,0|2,0,0]=4 795 B15R1.962 COC(=O)CCC=NNc1cccnc1 4a_100000728903_100012047195 [0,1,1,0,0,0|2,0,0]=4 796 B15R1.962 COC(=O)CCC=NNc1ccncc1 4a_100000698918_100012047195 [0,1,1,0,0,0|2,0,0]=4 797 B15R1.962 COC(=O)CCCCNc1ccccc1 34a_100000106764_100000204269 [0,1,1,0,0,0|0,0,2]=4 798 B15R1.1081 CC(=O)CCCC(=O)Nc1ccccc1 1458a_100000070787_100011194425 [0,1,1,0,0,0|1,0,1]=4 799 B15R1.1081 CC(=O)CCCC(=O)Nc1ccccc1 1458a_200000181736_200000210301 [0,1,1,0,0,0|1,0,1]=4 800 B15R1.1081 NC(=O)CCNC(=O)Nc1ccccc1 2430a_100000106764_100000740010 [0,1,1,0,0,0|2,0,0]=4 801 B15R1.1081 O=C(O)CNCC(=O)Nc1ccccc1 269956a_100016091260_100000182850 [0,1,1,0,0,0|1,0,1]=4 802 B15R1.1081 [13CH3]C(=O)CCCC(=O)Nc1ccccc1 1458a_200000181736_200025704644 [0,1,1,0,0,0|1,0,1]=4 803 B15R1.5919 NC(=O)CCC(=O)NNc1ccccc1 22a_100015195140_100011215257 [0,1,1,0,0,0|2,0,0]=4 804 B15R1.12293 NC(=O)C(NCC(=O)O)c1ccccc1 269956a_100016091260_100000188848 [0,1,1,0,0,0|1,0,1]=4 805 B15R2.4 CNC(C)Cc1c[nH]c2c1cccc2 270004a_106832991635_100000030300 [1,1,0,0,0,0|2,0,0]=4 806 B15R2.5 C=CCCOc1csc2c1cccc2 34a_100000077758_100000754431 [1,1,0,0,0,0|2,0,0]=4 807 B15R2.5 C=CCCOc1csc2c1cccc2 7a_100000077758_100000754431 [1,1,0,0,0,0|2,0,0]=4 808 B15R2.5 C=CCCSc1c[nH]c2c1cccn2 62a_100000754431_100011934613 [1,1,0,0,0,0|2,0,0]=4 809 B15R2.5 C=CCCSc1c[nH]c2c1ccnc2 62a_100000754431_100010232032 [1,1,0,0,0,0|2,0,0]=4 810 B15R2.5 C=CCCSc1c[nH]c2c1cncc2 62a_100000754431_100000753697 [1,1,0,0,0,0|2,0,0]=4 811 B15R2.5 C=CCCSc1c[nH]c2c1nccc2 62a_100000754431_100009817151 [1,1,0,0,0,0|2,0,0]=4 812 B15R2.5 C=CCCSc1coc2c1cccc2 62a_100000754431_100009812202 [1,1,0,0,0,0|2,0,0]=4 813 B15R2.5 C=CCCSc1csc2c1cccc2 62a_100000754431_100009813928 [1,1,0,0,0,0|2,0,0]=4 814 B15R2.5 C=CCCSc1n[nH]c2c1cccc2 62a_100000754431_100000050141 [1,1,0,0,0,0|2,0,0]=4 815 B15R2.5 C=CCNCc1c[nH]c2c1ccnc2 270004a_100020586998_100000087688 [1,1,0,0,0,0|2,0,0]=4 816 B15R2.5 C=CCNCc1coc2c1cccc2 270004a_100020586998_100000688544 [1,1,0,0,0,0|2,0,0]=4 817 B15R2.5 C=CCNCc1csc2c1cccc2 2230a_100020586998_200000742921 [1,1,0,0,0,0|2,0,0]=4 818 B15R2.5 C=CCNCc1csc2c1cccc2 270004a_100020586998_100000239721 [1,1,0,0,0,0|2,0,0]=4 819 B15R2.5 C=CCNCc1csc2c1cccc2 34a_100000744611_100015514636 [1,1,0,0,0,0|2,0,0]=4 820 B15R2.5 C=CCNCc1n[nH]c2c1cccc2 270004a_100020586998_100000059708 [1,1,0,0,0,0|2,0,0]=4 821 B15R2.5 C=CCOCc1csc2c1cccc2 34a_100011219454_100015514636 [1,1,0,0,0,0|2,0,0]=4 822 B15R2.5 C=CCOCc1csc2c1cccc2 34a_200000210373_200000742921 [1,1,0,0,0,0|2,0,0]=4 823 B15R2.5 C=CCSCc1csc2c1cccc2 62a_100000210623_200000742921 [1,1,0,0,0,0|2,0,0]=4 824 B15R2.5 C=CCSCc1csc2c1cccc2 62a_200000742921_100000210623 [1,1,0,0,0,0|2,0,0]=4 825 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000210202 [1,1,0,0,0,0|1,0,1]=4 826 B15R2.5 CCNCCc1c[nH]c2c1cccc2 2230a_100015525214_100011218569 [1,1,0,0,0,0|1,0,1]=4 827 B15R2.5 CCOCCc1c[nH]c2c1cccc2 34a_100000752351_100000210202 [1,1,0,0,0,0|1,0,1]=4 828 B15R2.5 CCOCCc1c[nH]c2c1cccc2 34a_100121572206_100011218569 [1,1,0,0,0,0|1,0,1]=4 829 B15R2.5 CCSCCc1c[nH]c2c1cccc2 62a_100000210202_100011218569 [1,1,0,0,0,0|1,0,1]=4 830 B15R2.5 COCCCc1c[nH]c2c1cccc2 34a_100102524900_200000210301 [1,1,0,0,0,0|0,0,1]=3 831 B15R2.5 FCOCCc1c[nH]c2c1cccc2 34a_100000752351_100015361967 [1,1,0,0,0,0|1,0,1]=4 832 B15R2.5 FCSCCc1c[nH]c2c1cccc2 62a_100015361967_100011218569 [1,1,0,0,0,0|1,0,1]=4 833 B15R2.5 O=CCNCc1cnc2n1cccc2 2230a_100015187830_200015260668 [1,1,0,0,0,0|1,0,1]=4 834 B15R2.5 O=CCNCc1csc2c1cccc2 34a_100000744611_200009817547 [1,1,0,0,0,0|1,0,0]=3 835 B15R2.5 O=CCOCc1csc2c1cccc2 34a_100011219454_200009817547 [1,1,0,0,0,0|1,0,0]=3 836 B15R2.5 O=CCSCc1csc2c1cccc2 62a_200000742921_200015260668 [1,1,0,0,0,0|1,0,0]=3 837 B15R2.5 O=CCSCc1csc2c1cccc2 62a_200015260668_200000742921 [1,1,0,0,0,0|1,0,0]=3 838 B15R2.5 O=CCSCc1noc2c1cccc2 62a_100009813815_200015260668 [1,1,0,0,0,0|2,0,0]=4 839 B15R2.5 O=CCSCc1noc2c1cccc2 62a_200015260668_100009813815 [1,1,0,0,0,0|2,0,0]=4 840 B15R2.5 OCCCOc1csc2c1cccc2 34a_100000077758_100000230001 [1,1,0,0,0,0|1,0,1]=4 841 B15R2.5 OCCCOc1csc2c1cccc2 7a_100000077758_100011215043 [1,1,0,0,0,0|1,0,1]=4 842 B15R2.5 OCCCSc1c[nH]c2c1cccn2 62a_100011215043_100011934613 [1,1,0,0,0,0|1,0,1]=4 843 B15R2.5 OCCCSc1c[nH]c2c1ccnc2 62a_100011215043_100010232032 [1,1,0,0,0,0|1,0,1]=4 844 B15R2.5 OCCCSc1c[nH]c2c1cncc2 62a_100011215043_100000753697 [1,1,0,0,0,0|1,0,1]=4 845 B15R2.5 OCCCSc1c[nH]c2c1nccc2 62a_100011215043_100009817151 [1,1,0,0,0,0|1,0,1]=4 846 B15R2.5 OCCCSc1coc2c1cccc2 62a_100011215043_100009812202 [1,1,0,0,0,0|1,0,1]=4 847 B15R2.5 OCCCSc1csc2c1cccc2 62a_100011215043_100009813928 [1,1,0,0,0,0|1,0,1]=4 848 B15R2.5 OCCCSc1n[nH]c2c1cccc2 62a_100011215043_100000050141 [1,1,0,0,0,0|1,0,1]=4 849 B15R2.5 OCCNCc1c[nH]c2c1ccnc2 270004a_100000210304_100000087688 [1,1,0,0,0,0|1,0,1]=4 850 B15R2.5 OCCNCc1coc2c1cccc2 207a_100000210304_100000688544 [1,1,0,0,0,0|1,0,1]=4 851 B15R2.5 OCCNCc1coc2c1cccc2 270004a_100000210304_100000688544 [1,1,0,0,0,0|1,0,1]=4 852 B15R2.5 OCCNCc1csc2c1cccc2 207a_100000210304_100000239721 [1,1,0,0,0,0|1,0,1]=4 853 B15R2.5 OCCNCc1csc2c1cccc2 2230a_100016997473_200000742921 [1,1,0,0,0,0|1,0,1]=4 854 B15R2.5 OCCNCc1csc2c1cccc2 270004a_100000210304_100000239721 [1,1,0,0,0,0|1,0,1]=4 855 B15R2.5 OCCNCc1csc2c1cccc2 34a_100000744611_100000211926 [1,1,0,0,0,0|1,0,1]=4 856 B15R2.5 OCCNCc1csc2c1cccc2 34a_100016990907_200000742921 [1,1,0,0,0,0|1,0,1]=4 857 B15R2.5 OCCNCc1n[nH]c2c1cccc2 207a_100000210304_100000059708 [1,1,0,0,0,0|1,0,1]=4 858 B15R2.5 OCCNCc1n[nH]c2c1cccc2 270004a_100000210304_100000059708 [1,1,0,0,0,0|1,0,1]=4 859 B15R2.5 OCCOCc1csc2c1cccc2 34a_100011219454_100000211926 [1,1,0,0,0,0|1,0,1]=4 860 B15R2.5 OCCSCc1csc2c1cccc2 62a_100000211926_200000742921 [1,1,0,0,0,0|1,0,1]=4 861 B15R2.5 OCCSCc1csc2c1cccc2 62a_200000742921_100000211926 [1,1,0,0,0,0|1,0,1]=4 862 B15R2.5 [13CH3]OCCCc1c[nH]c2c1cccc2 34a_100102524900_200025704644 [1,1,0,0,0,0|0,0,1]=3 863 B15R2.65 CNCCc1c[nH]c2c1cccc2C 2230a_100015184521_200000210301 [1,1,0,0,0,0|2,0,0]=4 864 B15R2.65 Cc1cccc2c1[nH]cc2CCN[13CH3] 2230a_100015184521_200025704644 [1,1,0,0,0,0|2,0,0]=4 865 B15R2.65 Cc1cccc2c1[nH]nc2SCC=O 62a_200015260668_100010186057 [1,1,0,0,0,0|2,0,0]=4 866 B15R2.65 Nc1cccc2c1[nH]nc2SCC=O 62a_200015260668_100009888981 [1,1,0,0,0,0|2,0,0]=4 867 B15R2.65 O=CCSc1c[nH]c2c1nccc2Cl 62a_200015260668_100010168581 [1,1,0,0,0,0|2,0,0]=4 868 B15R2.65 O=CCSc1n[nH]c2c1cccc2Br 62a_200015260668_100010197283 [1,1,0,0,0,0|2,0,0]=4 869 B15R2.65 O=CCSc1n[nH]c2c1cccc2Cl 62a_200015260668_100000050086 [1,1,0,0,0,0|2,0,0]=4 870 B15R2.65 O=CCSc1n[nH]c2c1cccc2F 62a_200015260668_100010231504 [1,1,0,0,0,0|2,0,0]=4 871 B15R2.65 O=CCSc1n[nH]c2c1cccc2O 62a_200015260668_200010988877 [1,1,0,0,0,0|2,0,0]=4 872 B15R2.1385 CNCCc1c[nH]c2c1ccc(c2)C 2230a_100000709966_200000210301 [1,1,0,0,0,0|2,0,0]=4 873 B15R2.1385 CNCCc1c[nH]c2c1ccc(c2)F 2230a_100000709932_200000210301 [1,1,0,0,0,0|2,0,0]=4 874 B15R2.1385 COCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_200000210301 [1,1,0,0,0,0|2,0,0]=4 875 B15R2.1385 Cc1ccc2c(c[nH]c2c1)CCN[13CH3] 2230a_100000709966_200025704644 [1,1,0,0,0,0|2,0,0]=4 876 B15R2.1385 Cc1ccc2c(n[nH]c2c1)SCC=O 62a_200015260668_100000049534 [1,1,0,0,0,0|2,0,0]=4 877 B15R2.1385 Nc1ccc2c(n[nH]c2c1)SCC=O 62a_200015260668_100009816878 [1,1,0,0,0,0|2,0,0]=4 878 B15R2.1385 O=CCSc1c[nH]c2c1ccc(n2)Cl 62a_200015260668_100010168512 [1,1,0,0,0,0|2,0,0]=4 879 B15R2.1385 O=CCSc1c[nH]c2c1ccc(n2)F 62a_200015260668_100010168364 [1,1,0,0,0,0|2,0,0]=4 880 B15R2.1385 O=CCSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_200015260668 [1,1,0,0,0,0|2,0,0]=4 881 B15R2.1385 O=CCSc1c[nH]c2c1cnc(c2)Br 62a_200015260668_100010206817 [1,1,0,0,0,0|2,0,0]=4 882 B15R2.1385 O=CCSc1c[nH]c2c1cnc(c2)Cl 62a_200015260668_100010206812 [1,1,0,0,0,0|2,0,0]=4 883 B15R2.1385 O=CCSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_200015260668 [1,1,0,0,0,0|2,0,0]=4 884 B15R2.1385 O=CCSc1c[nH]c2c1ncc(c2)Br 62a_200015260668_100010208019 [1,1,0,0,0,0|2,0,0]=4 885 B15R2.1385 O=CCSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_200015260668 [1,1,0,0,0,0|2,0,0]=4 886 B15R2.1385 O=CCSc1n[nH]c2c1ccc(c2)Br 62a_200015260668_100010186045 [1,1,0,0,0,0|2,0,0]=4 887 B15R2.1385 O=CCSc1n[nH]c2c1ccc(c2)Cl 62a_200015260668_100000049627 [1,1,0,0,0,0|2,0,0]=4 888 B15R2.1385 O=CCSc1n[nH]c2c1ccc(c2)F 62a_200015260668_100000049990 [1,1,0,0,0,0|2,0,0]=4 889 B15R2.1385 [13CH3]NCCc1c[nH]c2c1ccc(c2)F 2230a_100000709932_200025704644 [1,1,0,0,0,0|2,0,0]=4 890 B15R2.1385 [13CH3]OCCc1c[nH]c2c1ccc(c2)Br 34a_100010243507_200025704644 [1,1,0,0,0,0|2,0,0]=4 891 B15R2.1428 COCCc1cn(c2c1cccc2)C 34a_100000101561_200000210301 [1,1,0,0,0,0|2,0,0]=4 892 B15R2.1428 Cn1cc(c2c1cccc2)CCO[13CH3] 34a_100000101561_200025704644 [1,1,0,0,0,0|2,0,0]=4 893 B15R2.1428 Cn1cc(c2c1nccc2)SCC=O 62a_200015260668_100010205794 [1,1,0,0,0,0|2,0,0]=4 894 B15R2.1428 Cn1nc(c2c1cccc2)SCC=O 62a_100009817141_200015260668 [1,1,0,0,0,0|2,0,0]=4 895 B15R2.1428 Cn1nc(c2c1cccc2)SCC=O 62a_200015260668_100009817141 [1,1,0,0,0,0|2,0,0]=4 896 B15R2.1435 Cc1[nH]c2ncccc2c1SCC=O 62a_200015260668_100010174266 [1,1,0,0,0,0|2,0,0]=4 897 B15R2.1435 Cc1oc2ccccc2c1SCC=O 62a_200015260668_200010236113 [1,1,0,0,0,0|2,0,0]=4 898 B15R2.1435 Cc1sc2ccccc2c1SCC=O 62a_100010002616_200015260668 [1,1,0,0,0,0|2,0,0]=4 899 B15R2.1435 Cc1sc2ccccc2c1SCC=O 62a_200015260668_100010002616 [1,1,0,0,0,0|2,0,0]=4 900 B15R2.1435 O=CCSC1C(=O)Nc2c1cccc2 62a_200015260668_200009996675 [1,1,0,0,0,0|1,0,1]=4 901 B15R2.17667 COCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_200000210301 [1,1,0,0,0,0|2,0,0]=4 902 B15R2.17667 Cc1cccc2c1c(n[nH]2)SCC=O 62a_200015260668_100000049903 [1,1,0,0,0,0|2,0,0]=4 903 B15R2.17667 Nc1cccc2c1c(n[nH]2)SCC=O 62a_200015260668_100010186038 [1,1,0,0,0,0|2,0,0]=4 904 B15R2.17667 O=CCSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_200015260668 [1,1,0,0,0,0|2,0,0]=4 905 B15R2.17667 O=CCSc1c[nH]c2c1c(ccn2)Br 62a_200015260668_100010212587 [1,1,0,0,0,0|2,0,0]=4 906 B15R2.17667 O=CCSc1c[nH]c2c1c(ccn2)Cl 62a_200015260668_100011356983 [1,1,0,0,0,0|2,0,0]=4 907 B15R2.17667 O=CCSc1c[nH]c2c1c(ccn2)F 62a_200015260668_100010168365 [1,1,0,0,0,0|2,0,0]=4 908 B15R2.17667 O=CCSc1n[nH]c2c1c(ccc2)Br 62a_200015260668_100010186043 [1,1,0,0,0,0|2,0,0]=4 909 B15R2.17667 O=CCSc1n[nH]c2c1c(ccc2)Cl 62a_200015260668_100000049730 [1,1,0,0,0,0|2,0,0]=4 910 B15R2.17667 O=CCSc1n[nH]c2c1c(ccc2)F 62a_200015260668_100000049989 [1,1,0,0,0,0|2,0,0]=4 911 B15R2.17667 [13CH3]OCCc1c[nH]c2c1c(ccc2)Br 34a_100010188552_200025704644 [1,1,0,0,0,0|2,0,0]=4 912 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_200000210301 [1,1,0,0,0,0|2,0,0]=4 913 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)C 2230a_100000008874_200000210301 [1,1,0,0,0,0|2,0,0]=4 914 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_200000210301 [1,1,0,0,0,0|2,0,0]=4 915 B15R2.17719 CNCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_200000210301 [1,1,0,0,0,0|2,0,0]=4 916 B15R2.17719 COCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_200000210301 [1,1,0,0,0,0|2,0,0]=4 917 B15R2.17719 Cc1ccc2[nH]cc(c2c1)CCN[13CH3] 2230a_100000008874_200025704644 [1,1,0,0,0,0|2,0,0]=4 918 B15R2.17719 Cc1ccc2[nH]cc(c2n1)SCC=O 62a_200015260668_100010212567 [1,1,0,0,0,0|2,0,0]=4 919 B15R2.17719 Cc1ccc2[nH]nc(c2c1)SCC=O 62a_200015260668_100000123028 [1,1,0,0,0,0|2,0,0]=4 920 B15R2.17719 Cc1cnc2[nH]cc(c2c1)SCC=O 62a_200015260668_100010246215 [1,1,0,0,0,0|2,0,0]=4 921 B15R2.17719 Nc1ccc2[nH]nc(c2c1)SCC=O 62a_200015260668_100012353729 [1,1,0,0,0,0|2,0,0]=4 922 B15R2.17719 Nc1ccc2scc(c2c1)SCC=O 62a_100011178648_200015260668 [1,1,0,0,0,0|2,0,0]=4 923 B15R2.17719 Nc1ccc2scc(c2c1)SCC=O 62a_200015260668_100011178648 [1,1,0,0,0,0|2,0,0]=4 924 B15R2.17719 Nc1cnc2[nH]cc(c2c1)SCC=O 62a_200015260668_100010168510 [1,1,0,0,0,0|2,0,0]=4 925 B15R2.17719 O=CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_200015260668 [1,1,0,0,0,0|2,0,0]=4 926 B15R2.17719 O=CCSc1c[nH]c2c1cc(cn2)Br 62a_200015260668_100011290788 [1,1,0,0,0,0|2,0,0]=4 927 B15R2.17719 O=CCSc1c[nH]c2c1cc(cn2)Cl 62a_200015260668_100000050100 [1,1,0,0,0,0|2,0,0]=4 928 B15R2.17719 O=CCSc1c[nH]c2c1cc(cn2)F 62a_200015260668_100010168383 [1,1,0,0,0,0|2,0,0]=4 929 B15R2.17719 O=CCSc1c[nH]c2c1cc(nc2)Cl 62a_200015260668_100010168685 [1,1,0,0,0,0|2,0,0]=4 930 B15R2.17719 O=CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_200015260668 [1,1,0,0,0,0|2,0,0]=4 931 B15R2.17719 O=CCSc1c[nH]c2c1nc(cc2)Br 62a_200015260668_100010168532 [1,1,0,0,0,0|2,0,0]=4 932 B15R2.17719 O=CCSc1c[nH]c2c1nc(cc2)Cl 62a_200015260668_100010168529 [1,1,0,0,0,0|2,0,0]=4 933 B15R2.17719 O=CCSc1n[nH]c2c1cc(cc2)Br 62a_200015260668_100010186058 [1,1,0,0,0,0|2,0,0]=4 934 B15R2.17719 O=CCSc1n[nH]c2c1cc(cc2)Cl 62a_200015260668_100010174404 [1,1,0,0,0,0|2,0,0]=4 935 B15R2.17719 O=CCSc1n[nH]c2c1cc(cc2)F 62a_200015260668_100011934747 [1,1,0,0,0,0|2,0,0]=4 936 B15R2.17719 OCCCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100102583652 [1,1,0,0,0,0|0,0,1]=3 937 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)Br 2230a_100016990496_200025704644 [1,1,0,0,0,0|2,0,0]=4 938 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)Cl 2230a_100000763428_200025704644 [1,1,0,0,0,0|2,0,0]=4 939 B15R2.17719 [13CH3]NCCc1c[nH]c2c1cc(cc2)F 2230a_100000725365_200025704644 [1,1,0,0,0,0|2,0,0]=4 940 B15R2.17719 [13CH3]OCCc1c[nH]c2c1cc(cc2)F 34a_100012000159_200025704644 [1,1,0,0,0,0|2,0,0]=4 941 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_200000210301 [0,1,0,0,1,0|1,0,0]=3 942 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_200000210301 [0,1,0,0,1,0|1,0,0]=3 943 B15R2.377 CC(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_200000210301 [0,1,0,0,1,0|1,0,0]=3 944 B15R2.377 CC(=O)Cc1coc2c1ccc(c2)O 1458a_100000010777_200000210301 [0,1,0,0,1,0|2,0,0]=4 945 B15R2.377 CC(=O)Oc1c[nH]c2c1ccc(c2)O 271570a_203496583355_200009817283 [0,1,0,0,1,0|2,0,0]=4 946 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)Br 1458a_100000689255_200025704644 [0,1,0,0,1,0|1,0,0]=3 947 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)Cl 1458a_100000747776_200025704644 [0,1,0,0,1,0|1,0,0]=3 948 B15R2.377 [13CH3]C(=O)Cc1c[nH]c2c1ccc(c2)F 1458a_100102524959_200025704644 [0,1,0,0,1,0|1,0,0]=3 949 B15R2.377 [13CH3]C(=O)Cc1coc2c1ccc(c2)O 1458a_100000010777_200025704644 [0,1,0,0,1,0|2,0,0]=4 950 B15R2.993 CC(=O)Cc1c([nH]c2c1cccc2)C 1458a_100000737320_200000210301 [0,1,0,0,1,0|1,0,0]=3 951 B15R2.993 Cc1[nH]c2ccccc2c1CC(=O)[13CH3] 1458a_100000737320_200025704644 [0,1,0,0,1,0|1,0,0]=3 952 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200000210301 [0,1,0,0,1,0|1,0,0]=3 953 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)C 1458a_100102525273_200000210301 [0,1,0,0,1,0|1,0,0]=3 954 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200000210301 [0,1,0,0,1,0|1,0,0]=3 955 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200000210301 [0,1,0,0,1,0|1,0,0]=3 956 B15R2.9410 CC(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200000210301 [0,1,0,0,1,0|1,0,0]=3 957 B15R2.9410 CC(=O)Cc1coc2c1cc(cc2)C 1458a_100000188615_200000210301 [0,1,0,0,1,0|2,0,0]=4 958 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)C 1458a_100000242747_200000210301 [0,1,0,0,1,0|2,0,0]=4 959 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000070787_100009814428 [0,1,0,0,1,0|2,0,0]=4 960 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_200000210301 [0,1,0,0,1,0|2,0,0]=4 961 B15R2.9410 CC(=O)Cc1csc2c1cc(cc2)F 1458a_100000070787_100010109839 [0,1,0,0,1,0|2,0,0]=4 962 B15R2.9410 CC(=O)Cc1n[nH]c2c1cc(cc2)Cl 1458a_100010209749_200000210301 [0,1,0,0,1,0|2,0,0]=4 963 B15R2.9410 CC(=O)Cc1n[nH]c2c1cc(cc2)F 1458a_200102525442_200000210301 [0,1,0,0,1,0|2,0,0]=4 964 B15R2.9410 CC(=O)Oc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100000755435 [0,1,0,0,1,0|2,0,0]=4 965 B15R2.9410 Cc1ccc2[nH]cc(c2c1)CC(=O)[13CH3] 1458a_100102525273_200025704644 [0,1,0,0,1,0|1,0,0]=3 966 B15R2.9410 Cc1ccc2occ(c2c1)CC(=O)[13CH3] 1458a_100000188615_200025704644 [0,1,0,0,1,0|2,0,0]=4 967 B15R2.9410 Cc1ccc2scc(c2c1)CC(=O)[13CH3] 1458a_100000242747_200025704644 [0,1,0,0,1,0|2,0,0]=4 968 B15R2.9410 NC(=O)Cc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100009990690 [0,1,0,0,1,0|1,0,0]=3 969 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Br 1458a_100000742623_200025704644 [0,1,0,0,1,0|1,0,0]=3 970 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)Cl 1458a_100000758855_200025704644 [0,1,0,0,1,0|1,0,0]=3 971 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)F 1458a_100102525430_200025704644 [0,1,0,0,1,0|1,0,0]=3 972 B15R2.9410 [13CH3]C(=O)Cc1c[nH]c2c1cc(cc2)O 1458a_100000031536_200025704644 [0,1,0,0,1,0|1,0,0]=3 973 B15R2.9410 [13CH3]C(=O)Cc1csc2c1cc(cc2)Cl 1458a_100000692288_200025704644 [0,1,0,0,1,0|2,0,0]=4 974 B15R2.9410 [13CH3]C(=O)Cc1n[nH]c2c1cc(cc2)Cl 1458a_100010209749_200025704644 [0,1,0,0,1,0|2,0,0]=4 975 B15R2.9410 [13CH3]C(=O)Cc1n[nH]c2c1cc(cc2)F 1458a_200102525442_200025704644 [0,1,0,0,1,0|2,0,0]=4 976 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_200000210301 [0,1,0,0,1,0|1,0,0]=3 977 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2C 1458a_200000049093_200000210301 [0,1,0,0,1,0|1,0,0]=3 978 B15R2.13587 CC(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_200000210301 [0,1,0,0,1,0|1,0,0]=3 979 B15R2.13587 Cc1cccc2c1[nH]cc2CC(=O)[13CH3] 1458a_200000049093_200025704644 [0,1,0,0,1,0|1,0,0]=3 980 B15R2.13587 [13CH3]C(=O)Cc1c[nH]c2c1cccc2Br 1458a_100010219219_200025704644 [0,1,0,0,1,0|1,0,0]=3 981 B15R2.13587 [13CH3]C(=O)Cc1c[nH]c2c1cccc2Cl 1458a_100012356222_200025704644 [0,1,0,0,1,0|1,0,0]=3 982 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_200000210301 [0,1,0,0,1,0|1,0,0]=3 983 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)C 1458a_100102558282_200000210301 [0,1,0,0,1,0|1,0,0]=3 984 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_200000210301 [0,1,0,0,1,0|1,0,0]=3 985 B15R2.13624 CC(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_200000210301 [0,1,0,0,1,0|1,0,0]=3 986 B15R2.13624 Cc1cccc2c1c(c[nH]2)CC(=O)[13CH3] 1458a_100102558282_200025704644 [0,1,0,0,1,0|1,0,0]=3 987 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)Br 1458a_100000692793_200025704644 [0,1,0,0,1,0|1,0,0]=3 988 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)Cl 1458a_100012339537_200025704644 [0,1,0,0,1,0|1,0,0]=3 989 B15R2.13624 [13CH3]C(=O)Cc1c[nH]c2c1c(ccc2)F 1458a_100011997205_200025704644 [0,1,0,0,1,0|1,0,0]=3 990 B15R2.53147 CC(=O)Cc1cn(c2c1cccc2)C 1458a_100011218532_200000210301 [0,1,0,0,1,0|1,0,0]=3 991 B15R2.53147 Cn1cc(c2c1cccc2)CC(=O)[13CH3] 1458a_100011218532_200025704644 [0,1,0,0,1,0|1,0,0]=3 992 B17R2.4 C=CC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_200121576911 [0,1,0,0,0,1|1,0,0]=3 993 B17R2.4 C=CC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100000185746 [0,1,0,0,0,1|2,0,0]=4 994 B17R2.4 C=CC(=O)NCCc1coc2c1cccc2 240690a_100011934666_200121576911 [0,1,0,0,0,1|2,0,0]=4 995 B17R2.4 CC(CO)NCCc1c[nH]c2c1cccc2 2230a_100000211132_100012180447 [0,1,0,0,0,1|1,0,1]=4 996 B17R2.4 CC(CO)OCCc1c[nH]c2c1cccc2 34a_100000752351_100012180447 [0,1,0,0,0,1|1,0,1]=4 997 B17R2.4 CC(CO)SCCc1c[nH]c2c1cccc2 62a_100012180447_100011218569 [0,1,0,0,0,1|1,0,1]=4 998 B17R2.4 CCC(=O)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100000210202 [0,1,0,0,0,1|1,0,0]=3 999 B17R2.4 CCC(=O)COCc1csc2c1cccc2 34a_100000725409_200000742921 [0,1,0,0,0,1|2,0,0]=4 1000 B17R2.4 CCC(=O)CSCc1csc2c1cccc2 62a_100000747405_200000742921 [0,1,0,0,0,1|2,0,0]=4 1001 B17R2.4 CCC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000747405 [0,1,0,0,0,1|2,0,0]=4 1002 B17R2.4 CCC(=O)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000210414 [0,1,0,0,0,1|1,0,0]=3 1003 B17R2.4 CCC(=O)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000210414 [0,1,0,0,0,1|1,0,0]=3 1004 B17R2.4 CCC(=O)NCCc1coc2c1cccc2 11a_100011934666_100000210414 [0,1,0,0,0,1|2,0,0]=4 1005 B17R2.4 CCC(=O)NCCc1coc2c1cccc2 1626a_100011934666_100000210414 [0,1,0,0,0,1|2,0,0]=4 1006 B17R2.4 CCC(=O)NCCc1coc2c1cccc2 240690a_100011934666_100000210414 [0,1,0,0,0,1|2,0,0]=4 1007 B17R2.4 CCC(=O)NCCc1coc2c1cccc2 527a_100011934666_100000210414 [0,1,0,0,0,1|2,0,0]=4 1008 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 11a_106832991635_100000181718 [0,1,0,0,0,1|1,0,0]=3 1009 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 1626a_100102657272_100000181718 [0,1,0,0,0,1|1,0,0]=3 1010 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 240690a_100102657272_100000181718 [0,1,0,0,0,1|1,0,0]=3 1011 B17R2.4 CNC(=O)CCCc1c[nH]c2c1cccc2 527a_100102657272_100000181718 [0,1,0,0,0,1|1,0,0]=3 1012 B17R2.4 CNC(=O)CCOc1csc2c1cccc2 34a_100000077758_100012179268 [0,1,0,0,0,1|2,0,0]=4 1013 B17R2.4 CNC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000737683 [0,1,0,0,0,1|2,0,0]=4 1014 B17R2.4 CNC(=O)CCSc1c[nH]c2c1cccn2 62a_100000737683_100011934613 [0,1,0,0,0,1|2,0,0]=4 1015 B17R2.4 CNC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000737683_100010232032 [0,1,0,0,0,1|2,0,0]=4 1016 B17R2.4 CNC(=O)CCSc1c[nH]c2c1cncc2 62a_100000737683_100000753697 [0,1,0,0,0,1|2,0,0]=4 1017 B17R2.4 CNC(=O)CCSc1c[nH]c2c1nccc2 62a_100000737683_100009817151 [0,1,0,0,0,1|2,0,0]=4 1018 B17R2.4 CNC(=O)CCSc1coc2c1cccc2 62a_100000737683_100009812202 [0,1,0,0,0,1|2,0,0]=4 1019 B17R2.4 CNC(=O)CCSc1csc2c1cccc2 62a_100000737683_100009813928 [0,1,0,0,0,1|2,0,0]=4 1020 B17R2.4 CNC(=O)CCSc1n[nH]c2c1cccc2 62a_100000737683_100000050141 [0,1,0,0,0,1|2,0,0]=4 1021 B17R2.4 CNC(=O)CNCc1c[nH]c2c1ccnc2 270004a_100000693194_100000087688 [0,1,0,0,0,1|2,0,0]=4 1022 B17R2.4 CNC(=O)CNCc1coc2c1cccc2 207a_100000693194_100000688544 [0,1,0,0,0,1|2,0,0]=4 1023 B17R2.4 CNC(=O)CNCc1coc2c1cccc2 270004a_100000693194_100000688544 [0,1,0,0,0,1|2,0,0]=4 1024 B17R2.4 CNC(=O)CNCc1csc2c1cccc2 207a_100000693194_100000239721 [0,1,0,0,0,1|2,0,0]=4 1025 B17R2.4 CNC(=O)CNCc1csc2c1cccc2 2230a_100000693194_200000742921 [0,1,0,0,0,1|2,0,0]=4 1026 B17R2.4 CNC(=O)CNCc1csc2c1cccc2 270004a_100000693194_100000239721 [0,1,0,0,0,1|2,0,0]=4 1027 B17R2.4 CNC(=O)CNCc1csc2c1cccc2 34a_100000744611_100000183359 [0,1,0,0,0,1|2,0,0]=4 1028 B17R2.4 CNC(=O)CNCc1n[nH]c2c1cccc2 207a_100000693194_100000059708 [0,1,0,0,0,1|2,0,0]=4 1029 B17R2.4 CNC(=O)CNCc1n[nH]c2c1cccc2 270004a_100000693194_100000059708 [0,1,0,0,0,1|2,0,0]=4 1030 B17R2.4 CNC(=O)COCc1csc2c1cccc2 34a_100000750040_200000742921 [0,1,0,0,0,1|2,0,0]=4 1031 B17R2.4 CNC(=O)COCc1csc2c1cccc2 34a_100011219454_100000183359 [0,1,0,0,0,1|2,0,0]=4 1032 B17R2.4 CNC(=O)CSCc1csc2c1cccc2 62a_100000183359_200000742921 [0,1,0,0,0,1|2,0,0]=4 1033 B17R2.4 CNC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000183359 [0,1,0,0,0,1|2,0,0]=4 1034 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 2708a_100000211132_106832991635 [0,1,0,0,0,1|1,0,0]=3 1035 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 2708a_100102657272_100000211132 [0,1,0,0,0,1|1,0,0]=3 1036 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 273464a_100000211132_100102657272 [0,1,0,0,0,1|1,0,0]=3 1037 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 273464a_100102657272_100000211132 [0,1,0,0,0,1|1,0,0]=3 1038 B17R2.4 CNC(=O)NCCc1c[nH]c2c1cccc2 512a_106832991638_100000211132 [0,1,0,0,0,1|1,0,0]=3 1039 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 2708a_100011934666_106832991635 [0,1,0,0,0,1|2,0,0]=4 1040 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 2708a_100102657272_100011934666 [0,1,0,0,0,1|2,0,0]=4 1041 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 273464a_100011934666_100102657272 [0,1,0,0,0,1|2,0,0]=4 1042 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 273464a_100102657272_100011934666 [0,1,0,0,0,1|2,0,0]=4 1043 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 512a_100011934666_100102657272 [0,1,0,0,0,1|2,0,0]=4 1044 B17R2.4 CNC(=O)NCCc1coc2c1cccc2 512a_106832991638_100011934666 [0,1,0,0,0,1|2,0,0]=4 1045 B17R2.4 COC(=O)CCOc1csc2c1cccc2 34a_100000077758_100000742370 [0,1,0,0,0,1|1,0,0]=3 1046 B17R2.4 COC(=O)CCOc1csc2c1cccc2 7a_100000077758_100000204255 [0,1,0,0,0,1|1,0,0]=3 1047 B17R2.4 COC(=O)CCSc1c[nH]c2c1cccn2 62a_100000204255_100011934613 [0,1,0,0,0,1|1,0,0]=3 1048 B17R2.4 COC(=O)CCSc1c[nH]c2c1ccnc2 62a_100000204255_100010232032 [0,1,0,0,0,1|1,0,0]=3 1049 B17R2.4 COC(=O)CCSc1c[nH]c2c1cncc2 62a_100000204255_100000753697 [0,1,0,0,0,1|1,0,0]=3 1050 B17R2.4 COC(=O)CCSc1c[nH]c2c1cncn2 62a_100000204255_100000072862 [0,1,0,0,0,1|2,0,0]=4 1051 B17R2.4 COC(=O)CCSc1c[nH]c2c1cncn2 62a_100009817560_100000204255 [0,1,0,0,0,1|2,0,0]=4 1052 B17R2.4 COC(=O)CCSc1c[nH]c2c1nccc2 62a_100000204255_100009817151 [0,1,0,0,0,1|1,0,0]=3 1053 B17R2.4 COC(=O)CCSc1c[nH]c2c1nccn2 62a_100000204255_100009819587 [0,1,0,0,0,1|2,0,0]=4 1054 B17R2.4 COC(=O)CCSc1cnc2n1cccc2 62a_100000204255_100011219245 [0,1,0,0,0,1|1,0,1]=4 1055 B17R2.4 COC(=O)CCSc1cnn2c1cccc2 62a_100000204255_100009817726 [0,1,0,0,0,1|1,0,1]=4 1056 B17R2.4 COC(=O)CCSc1coc2c1cccc2 62a_100000204255_100009812202 [0,1,0,0,0,1|1,0,0]=3 1057 B17R2.4 COC(=O)CCSc1coc2c1nccc2 62a_100000204255_100009889148 [0,1,0,0,0,1|2,0,0]=4 1058 B17R2.4 COC(=O)CCSc1csc2c1cccc2 62a_100000204255_100009813928 [0,1,0,0,0,1|1,0,0]=3 1059 B17R2.4 COC(=O)CCSc1csc2c1cccn2 62a_100000204255_100009830249 [0,1,0,0,0,1|2,0,0]=4 1060 B17R2.4 COC(=O)CCSc1csc2c1cccn2 62a_100009830249_100000204255 [0,1,0,0,0,1|2,0,0]=4 1061 B17R2.4 COC(=O)CCSc1csc2c1ccnc2 62a_100000204255_100009817111 [0,1,0,0,0,1|2,0,0]=4 1062 B17R2.4 COC(=O)CCSc1csc2c1ccnc2 62a_100009817111_100000204255 [0,1,0,0,0,1|2,0,0]=4 1063 B17R2.4 COC(=O)CCSc1csc2c1cncc2 62a_100000204255_100010247091 [0,1,0,0,0,1|2,0,0]=4 1064 B17R2.4 COC(=O)CCSc1csc2c1cncc2 62a_100010247091_100000204255 [0,1,0,0,0,1|2,0,0]=4 1065 B17R2.4 COC(=O)CCSc1csc2c1nccc2 62a_100000204255_100010247092 [0,1,0,0,0,1|2,0,0]=4 1066 B17R2.4 COC(=O)CCSc1n[nH]c2c1cccc2 62a_100000204255_100000050141 [0,1,0,0,0,1|1,0,0]=3 1067 B17R2.4 COC(=O)CCSc1n[nH]c2c1cccn2 62a_100000204255_100009888962 [0,1,0,0,0,1|2,0,0]=4 1068 B17R2.4 COC(=O)CCSc1n[nH]c2c1ccnc2 62a_100000204255_100010244369 [0,1,0,0,0,1|2,0,0]=4 1069 B17R2.4 COC(=O)CCSc1n[nH]c2c1cncc2 62a_100000204255_100009820117 [0,1,0,0,0,1|2,0,0]=4 1070 B17R2.4 COC(=O)CCSc1n[nH]c2c1nccc2 62a_100000204255_100009817118 [0,1,0,0,0,1|2,0,0]=4 1071 B17R2.4 COC(=O)CCSc1noc2c1cccc2 62a_100000204255_200000703156 [0,1,0,0,0,1|2,0,0]=4 1072 B17R2.4 COC(=O)CCSc1noc2c1cccc2 62a_200000703156_100000204255 [0,1,0,0,0,1|2,0,0]=4 1073 B17R2.4 COC(=O)CNCc1cnc2n1cccc2 2230a_100015187830_100000747449 [0,1,0,0,0,1|1,0,1]=4 1074 B17R2.4 COC(=O)CNCc1csc2c1cccc2 34a_100000744611_100000747449 [0,1,0,0,0,1|1,0,0]=3 1075 B17R2.4 COC(=O)COCc1csc2c1cccc2 34a_100011219454_100000747449 [0,1,0,0,0,1|1,0,0]=3 1076 B17R2.4 COC(=O)CSCc1csc2c1cccc2 62a_100000747449_200000742921 [0,1,0,0,0,1|1,0,0]=3 1077 B17R2.4 COC(=O)CSCc1csc2c1cccc2 62a_200000742921_100000747449 [0,1,0,0,0,1|1,0,0]=3 1078 B17R2.4 COC(=O)CSCc1noc2c1cccc2 62a_100000747449_100009813815 [0,1,0,0,0,1|2,0,0]=4 1079 B17R2.4 COC(=O)CSCc1noc2c1cccc2 62a_100009813815_100000747449 [0,1,0,0,0,1|2,0,0]=4 1080 B17R2.4 COC(C)SCCc1c[nH]c2c1cccc2 62a_100009879195_100011218569 [0,1,0,0,0,1|1,0,1]=4 1081 B17R2.4 C[C@H](CO)NCCc1c[nH]c2c1cccc2 2230a_100000737577_100011218569 [0,1,0,0,0,1|1,0,1]=4 1082 B17R2.4 C[C@H](CO)SCCc1c[nH]c2c1cccc2 62a_100016084084_100011218569 [0,1,0,0,0,1|1,0,1]=4 1083 B17R2.4 O=C(CF)CCCc1c[nH]c2c1cccc2 1458a_100000181718_100015361967 [0,1,0,0,0,1|1,0,0]=3 1084 B17R2.4 O=C(CO)NCCc1c[nH]c2c1cccc2 240690a_100000211132_100000210174 [0,1,0,0,0,1|0,0,0]=2 1085 B17R2.4 O=C(CO)NCCc1c[nH]c2c1cccc2 527a_100000211132_100000210174 [0,1,0,0,0,1|0,0,0]=2 1086 B17R2.4 O=C(CO)NCCc1coc2c1cccc2 240690a_100011934666_100000210174 [0,1,0,0,0,1|1,0,0]=3 1087 B17R2.4 O=C(CO)NCCc1coc2c1cccc2 527a_100011934666_100000210174 [0,1,0,0,0,1|1,0,0]=3 1088 B17R2.4 O=C(CO)NCCn1cnc2c1cccc2 240690a_100000746447_100000210174 [0,1,0,0,0,1|1,0,1]=4 1089 B17R2.4 O=C(CO)NCCn1cnc2c1cccc2 527a_100000746447_100000210174 [0,1,0,0,0,1|1,0,1]=4 1090 B17R2.16 C=C(C)C(=O)CCc1c[nH]c2c1cccc2 1458a_100000185857_100011218569 [0,1,0,0,0,1|2,0,0]=4 1091 B17R2.16 CC(=O)C(C)OCc1csc2c1cccc2 34a_100000212229_200000742921 [0,1,0,0,0,1|2,0,0]=4 1092 B17R2.16 CC(=O)C(C)SCc1csc2c1cccc2 62a_100009814033_200000742921 [0,1,0,0,0,1|2,0,0]=4 1093 B17R2.16 CC(=O)C(C)SCc1csc2c1cccc2 62a_200000742921_100009814033 [0,1,0,0,0,1|2,0,0]=4 1094 B17R2.16 CC(NCc1csc2c1cccc2)C(=O)N 34a_100000744611_100000702099 [0,1,0,0,0,1|2,0,0]=4 1095 B17R2.16 CC(OCc1csc2c1cccc2)C(=O)N 34a_100011219454_100000702099 [0,1,0,0,0,1|2,0,0]=4 1096 B17R2.16 CC(SCc1csc2c1cccc2)C(=O)N 62a_100000702099_200000742921 [0,1,0,0,0,1|2,0,0]=4 1097 B17R2.16 CC(SCc1csc2c1cccc2)C(=O)N 62a_200000742921_100000702099 [0,1,0,0,0,1|2,0,0]=4 1098 B17R2.16 C[C@@H](NCc1c[nH]c2c1ccnc2)C(=O)N 270004a_100000119354_100000087688 [0,1,0,0,0,1|2,0,0]=4 1099 B17R2.16 C[C@@H](NCc1coc2c1cccc2)C(=O)N 270004a_100000119354_100000688544 [0,1,0,0,0,1|2,0,0]=4 1100 B17R2.16 C[C@@H](NCc1csc2c1cccc2)C(=O)N 2230a_100000119354_200000742921 [0,1,0,0,0,1|2,0,0]=4 1101 B17R2.16 C[C@@H](NCc1csc2c1cccc2)C(=O)N 270004a_100000119354_100000239721 [0,1,0,0,0,1|2,0,0]=4 1102 B17R2.16 C[C@@H](NCc1csc2c1cccc2)C(=O)N 34a_100000119354_200000742921 [0,1,0,0,0,1|2,0,0]=4 1103 B17R2.16 C[C@@H](NCc1n[nH]c2c1cccc2)C(=O)N 270004a_100000119354_100000059708 [0,1,0,0,0,1|2,0,0]=4 1104 B17R2.16 C[C@@H](O)C(=O)CCc1c[nH]c2c1cccc2 1458a_100000717761_100011218569 [0,1,0,0,0,1|1,0,1]=4 1105 B17R2.16 C[C@@H](OCc1csc2c1cccc2)C(=O)N 34a_100000731257_200000742921 [0,1,0,0,0,1|2,0,0]=4 1106 B17R2.16 C[C@H](NCc1csc2c1cccc2)C(=O)O 269956a_100000743915_200000742921 [0,1,0,0,0,1|1,0,0]=3 1107 B17R2.16 C[C@H](NCc1noc2c1cccc2)C(=O)O 269956a_100000743915_100009813815 [0,1,0,0,0,1|2,0,0]=4 1108 B17R2.16 C[C@H](O)C(=O)CCc1c[nH]c2c1cccc2 1458a_217856618621_100011218569 [0,1,0,0,0,1|1,0,1]=4 1109 B17R2.16 NC(=O)C(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100011215815 [0,1,0,0,0,1|1,0,1]=4 1110 B17R2.16 NC(=O)C(F)NCc1csc2c1cccc2 34a_100000744611_100009813875 [0,1,0,0,0,1|2,0,0]=4 1111 B17R2.16 NC(=O)C(F)OCc1csc2c1cccc2 34a_100011219454_100009813875 [0,1,0,0,0,1|2,0,0]=4 1112 B17R2.16 NC(=O)C(F)SCc1csc2c1cccc2 62a_100009813875_200000742921 [0,1,0,0,0,1|2,0,0]=4 1113 B17R2.16 NC(=O)C(F)SCc1csc2c1cccc2 62a_200000742921_100009813875 [0,1,0,0,0,1|2,0,0]=4 1114 B17R2.16 O=C(CCc1c[nH]c2c1cccc2)C(O)O 1458a_100000233687_100011218569 [0,1,0,0,0,1|0,0,2]=4 1115 B17R2.16 O=C([O-])C(F)NCc1csc2c1cccc2 34a_100000744611_100020610796 [0,1,0,0,0,1|1,0,1]=4 1116 B17R2.16 O=C([O-])C(F)OCc1csc2c1cccc2 34a_100011219454_100020610796 [0,1,0,0,0,1|1,0,1]=4 1117 B17R2.16 O=C([O-])C(F)SCc1csc2c1cccc2 62a_100020610796_200000742921 [0,1,0,0,0,1|1,0,1]=4 1118 B17R2.16 O=C([O-])C(F)SCc1csc2c1cccc2 62a_200000742921_100020610796 [0,1,0,0,0,1|1,0,1]=4 1119 B17R2.39 C=C(C)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000748629 [0,1,0,0,0,1|2,0,0]=4 1120 B17R2.39 C=C(F)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100009893438 [0,1,0,0,0,1|2,0,0]=4 1121 B17R2.39 CC(O)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100011218427 [0,1,0,0,0,1|1,0,1]=4 1122 B17R2.39 CN(CC(=O)N)Cc1c[nH]c2c1ccnc2 270004a_100000739694_100000087688 [0,1,0,0,0,1|2,0,0]=4 1123 B17R2.39 CN(CC(=O)N)Cc1coc2c1cccc2 270004a_100000739694_100000688544 [0,1,0,0,0,1|2,0,0]=4 1124 B17R2.39 CN(CC(=O)N)Cc1csc2c1cccc2 2230a_100000739694_200000742921 [0,1,0,0,0,1|2,0,0]=4 1125 B17R2.39 CN(CC(=O)N)Cc1csc2c1cccc2 270004a_100000739694_100000239721 [0,1,0,0,0,1|2,0,0]=4 1126 B17R2.39 CN(CC(=O)N)Cc1n[nH]c2c1cccc2 270004a_100000739694_100000059708 [0,1,0,0,0,1|2,0,0]=4 1127 B17R2.39 CN(CC(=O)O)Cc1csc2c1cccc2 269956a_100000746989_200000742921 [0,1,0,0,0,1|1,0,0]=3 1128 B17R2.39 CN(CC(=O)O)Cc1noc2c1cccc2 269956a_100000746989_100009813815 [0,1,0,0,0,1|2,0,0]=4 1129 B17R2.39 NC(=O)CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100000187820 [0,1,0,0,0,1|1,0,0]=3 1130 B17R2.39 NC(=O)CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100000187820 [0,1,0,0,0,1|2,0,0]=4 1131 B17R2.39 NC(=O)CC(=O)Cc1coc2c1cccc2 1458a_100000217546_100000187820 [0,1,0,0,0,1|2,0,0]=4 1132 B17R2.39 NC(=O)CC(=O)Cc1csc2c1cccc2 1458a_100000741031_100000187820 [0,1,0,0,0,1|2,0,0]=4 1133 B17R2.39 NC(=O)CC(=O)Cc1csc2c1cccc2 1458a_100134613110_200000742921 [0,1,0,0,0,1|2,0,0]=4 1134 B17R2.39 NC(=O)CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100000187820 [0,1,0,0,0,1|2,0,0]=4 1135 B17R2.39 O=C(Cc1c[nH]c2c1cccc2)C[N+](=O)[O-] 1458a_100000183835_100000761209 [0,1,0,0,0,1|1,0,1]=4 1136 B17R2.39 O=C([O-])CC(=O)Cc1c[nH]c2c1cccc2 1458a_100000183835_100020667443 [0,1,0,0,0,1|0,0,1]=3 1137 B17R2.39 O=C([O-])CC(=O)Cc1c[nH]c2c1cccn2 1458a_100000687015_100020667443 [0,1,0,0,0,1|1,0,1]=4 1138 B17R2.39 O=C([O-])CC(=O)Cc1coc2c1cccc2 1458a_100000217546_100020667443 [0,1,0,0,0,1|1,0,1]=4 1139 B17R2.39 O=C([O-])CC(=O)Cc1csc2c1cccc2 1458a_100000741031_100020667443 [0,1,0,0,0,1|1,0,1]=4 1140 B17R2.39 O=C([O-])CC(=O)Cc1n[nH]c2c1cccc2 1458a_100000044345_100020667443 [0,1,0,0,0,1|1,0,1]=4 1141 B17R2.3413 CS(=O)(=O)NCCc1c[nH]c2c1cccc2 40a_100000211132_100000738038 [0,1,0,0,0,1|1,0,1]=4 1142 B17R2.3451 CC(=O)CCSc1c[nH]c2c1ccc(n2)Cl 62a_100000053229_100010168512 [0,1,0,0,0,1|2,0,0]=4 1143 B17R2.3451 CC(=O)CCSc1c[nH]c2c1ccc(n2)F 62a_100000053229_100010168364 [0,1,0,0,0,1|2,0,0]=4 1144 B17R2.3451 CC(=O)CCSc1c[nH]c2c1cnc(c2)Br 62a_100000053229_100010206817 [0,1,0,0,0,1|2,0,0]=4 1145 B17R2.3451 CC(=O)CCSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000053229 [0,1,0,0,0,1|2,0,0]=4 1146 B17R2.3451 CC(=O)CCSc1c[nH]c2c1cnc(c2)Cl 62a_100000053229_100010206812 [0,1,0,0,0,1|2,0,0]=4 1147 B17R2.3451 CC(=O)CCSc1c[nH]c2c1ncc(c2)Br 62a_100000053229_100010208019 [0,1,0,0,0,1|2,0,0]=4 1148 B17R2.3451 CC(=O)CCSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000053229 [0,1,0,0,0,1|2,0,0]=4 1149 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)Br 62a_100000053229_100010186045 [0,1,0,0,0,1|2,0,0]=4 1150 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000053229 [0,1,0,0,0,1|2,0,0]=4 1151 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)C 62a_100000053229_100000049534 [0,1,0,0,0,1|2,0,0]=4 1152 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)Cl 62a_100000053229_100000049627 [0,1,0,0,0,1|2,0,0]=4 1153 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)F 62a_100000053229_100000049990 [0,1,0,0,0,1|2,0,0]=4 1154 B17R2.3451 CC(=O)CCSc1n[nH]c2c1ccc(c2)N 62a_100000053229_100009816878 [0,1,0,0,0,1|2,0,0]=4 1155 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)C 11a_100000709966_100015343762 [0,1,0,0,0,1|1,0,0]=3 1156 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)C 240690a_100000709966_100015343762 [0,1,0,0,0,1|1,0,0]=3 1157 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)C 527a_100000709966_100103153847 [0,1,0,0,0,1|1,0,0]=3 1158 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)F 11a_100000709932_100015343762 [0,1,0,0,0,1|1,0,0]=3 1159 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)F 240690a_100000709932_100015343762 [0,1,0,0,0,1|1,0,0]=3 1160 B17R2.3451 CC(=O)NCCc1c[nH]c2c1ccc(c2)F 527a_100000709932_100103153847 [0,1,0,0,0,1|1,0,0]=3 1161 B17R2.3451 Cc1ccc2c(n[nH]c2c1)SCCC(=O)N 62a_100000744528_100000049534 [0,1,0,0,0,1|2,0,0]=4 1162 B17R2.3451 NC(=O)CCSc1c[nH]c2c1ccc(n2)Cl 62a_100000744528_100010168512 [0,1,0,0,0,1|2,0,0]=4 1163 B17R2.3451 NC(=O)CCSc1c[nH]c2c1ccc(n2)F 62a_100000744528_100010168364 [0,1,0,0,0,1|2,0,0]=4 1164 B17R2.3451 NC(=O)CCSc1c[nH]c2c1cnc(c2)Br 62a_100000744528_100010206817 [0,1,0,0,0,1|2,0,0]=4 1165 B17R2.3451 NC(=O)CCSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000744528 [0,1,0,0,0,1|2,0,0]=4 1166 B17R2.3451 NC(=O)CCSc1c[nH]c2c1cnc(c2)Cl 62a_100000744528_100010206812 [0,1,0,0,0,1|2,0,0]=4 1167 B17R2.3451 NC(=O)CCSc1c[nH]c2c1ncc(c2)Br 62a_100000744528_100010208019 [0,1,0,0,0,1|2,0,0]=4 1168 B17R2.3451 NC(=O)CCSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000744528 [0,1,0,0,0,1|2,0,0]=4 1169 B17R2.3451 NC(=O)CCSc1n[nH]c2c1ccc(c2)Br 62a_100000744528_100010186045 [0,1,0,0,0,1|2,0,0]=4 1170 B17R2.3451 NC(=O)CCSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000744528 [0,1,0,0,0,1|2,0,0]=4 1171 B17R2.3451 NC(=O)CCSc1n[nH]c2c1ccc(c2)Cl 62a_100000744528_100000049627 [0,1,0,0,0,1|2,0,0]=4 1172 B17R2.3451 NC(=O)CCSc1n[nH]c2c1ccc(c2)F 62a_100000744528_100000049990 [0,1,0,0,0,1|2,0,0]=4 1173 B17R2.3451 NC(=O)CCSc1n[nH]c2c1ccc(c2)N 62a_100000744528_100009816878 [0,1,0,0,0,1|2,0,0]=4 1174 B17R2.5025 CC(=O)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000047366_200000210301 [0,1,0,0,0,1|2,0,0]=4 1175 B17R2.5025 CC(=O)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000070787_100000184716 [0,1,0,0,0,1|2,0,0]=4 1176 B17R2.5025 CC(=O)CCSC1C(=O)Nc2c1cccc2 62a_100000053229_200009996675 [0,1,0,0,0,1|1,0,1]=4 1177 B17R2.5025 CC(=O)CCSc1c([nH]c2c1cccn2)C 62a_100000053229_100010174266 [0,1,0,0,0,1|2,0,0]=4 1178 B17R2.5025 CC(=O)CCSc1c(oc2c1cccc2)C 62a_100000053229_200010236113 [0,1,0,0,0,1|2,0,0]=4 1179 B17R2.5025 CC(=O)CCSc1c(sc2c1cccc2)C 62a_100000053229_100010002616 [0,1,0,0,0,1|2,0,0]=4 1180 B17R2.5025 CC(=O)CCSc1c(sc2c1cccc2)C 62a_100010002616_100000053229 [0,1,0,0,0,1|2,0,0]=4 1181 B17R2.5025 CC(=O)NCCC1C(=O)Nc2c1cccc2 240690a_100000737811_100015343762 [0,1,0,0,0,1|1,0,1]=4 1182 B17R2.5025 CC(=O)NCCc1c([nH]c2c1cccc2)C 240690a_100000750322_100015343762 [0,1,0,0,0,1|1,0,0]=3 1183 B17R2.5025 CC(=O)NCCc1c([nH]c2c1cccc2)C 527a_100000750322_100103153847 [0,1,0,0,0,1|1,0,0]=3 1184 B17R2.5025 CC(=O)NCCc1c([nH]c2c1cccc2)O 271570a_203496583355_200010188624 [0,1,0,0,0,1|1,0,0]=3 1185 B17R2.5025 CC(=O)NCCn1c(=O)[nH]c2c1cccc2 11a_203549771432_100015343762 [0,1,0,0,0,1|2,0,0]=4 1186 B17R2.5025 CC(=O)NCCn1c(=O)[nH]c2c1cccc2 240690a_203549771432_100015343762 [0,1,0,0,0,1|2,0,0]=4 1187 B17R2.5025 CC(=O)NCCn1c(=O)[nH]c2c1cccc2 527a_203549771432_100103153847 [0,1,0,0,0,1|2,0,0]=4 1188 B17R2.5025 Cc1[nH]c2ncccc2c1SCCC(=O)N 62a_100000744528_100010174266 [0,1,0,0,0,1|2,0,0]=4 1189 B17R2.5025 Cc1oc2ccccc2c1SCCC(=O)N 62a_100000744528_200010236113 [0,1,0,0,0,1|2,0,0]=4 1190 B17R2.5025 Cc1sc2ccccc2c1SCCC(=O)N 62a_100000744528_100010002616 [0,1,0,0,0,1|2,0,0]=4 1191 B17R2.5025 Cc1sc2ccccc2c1SCCC(=O)N 62a_100010002616_100000744528 [0,1,0,0,0,1|2,0,0]=4 1192 B17R2.5025 NC(=O)CCSC1C(=O)Nc2c1cccc2 62a_100000744528_200009996675 [0,1,0,0,0,1|1,0,1]=4 1193 B17R2.5025 O=C(O)CNCn1c(=S)sc2c1cccc2 269956a_100016091260_200000011012 [0,1,0,0,0,1|2,0,0]=4 1194 B17R2.5025 O=C(O)CONC1C(=O)Nc2c1cccc2 269956a_100000106656_200009996675 [0,1,0,0,0,1|1,0,1]=4 1195 B17R2.5025 [13CH3]C(=O)CCCn1c(=O)[nH]c2c1cccc2 1458a_100000047366_200025704644 [0,1,0,0,0,1|2,0,0]=4 1196 B17R2.25462 CC(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200000210301 [0,1,0,0,0,1|1,0,0]=3 1197 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)Br 62a_100000053229_100011290788 [0,1,0,0,0,1|2,0,0]=4 1198 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000053229 [0,1,0,0,0,1|2,0,0]=4 1199 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)C 62a_100000053229_100010246215 [0,1,0,0,0,1|2,0,0]=4 1200 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)Cl 62a_100000053229_100000050100 [0,1,0,0,0,1|2,0,0]=4 1201 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)F 62a_100000053229_100010168383 [0,1,0,0,0,1|2,0,0]=4 1202 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(cn2)N 62a_100000053229_100010168510 [0,1,0,0,0,1|2,0,0]=4 1203 B17R2.25462 CC(=O)CCSc1c[nH]c2c1cc(nc2)Cl 62a_100000053229_100010168685 [0,1,0,0,0,1|2,0,0]=4 1204 B17R2.25462 CC(=O)CCSc1c[nH]c2c1nc(cc2)Br 62a_100000053229_100010168532 [0,1,0,0,0,1|2,0,0]=4 1205 B17R2.25462 CC(=O)CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000053229 [0,1,0,0,0,1|2,0,0]=4 1206 B17R2.25462 CC(=O)CCSc1c[nH]c2c1nc(cc2)C 62a_100000053229_100010212567 [0,1,0,0,0,1|2,0,0]=4 1207 B17R2.25462 CC(=O)CCSc1c[nH]c2c1nc(cc2)Cl 62a_100000053229_100010168529 [0,1,0,0,0,1|2,0,0]=4 1208 B17R2.25462 CC(=O)CCSc1csc2c1cc(cc2)N 62a_100000053229_100011178648 [0,1,0,0,0,1|2,0,0]=4 1209 B17R2.25462 CC(=O)CCSc1csc2c1cc(cc2)N 62a_100011178648_100000053229 [0,1,0,0,0,1|2,0,0]=4 1210 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)Br 62a_100000053229_100010186058 [0,1,0,0,0,1|2,0,0]=4 1211 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)C 62a_100000053229_100000123028 [0,1,0,0,0,1|2,0,0]=4 1212 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)Cl 62a_100000053229_100010174404 [0,1,0,0,0,1|2,0,0]=4 1213 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)F 62a_100000053229_100011934747 [0,1,0,0,0,1|2,0,0]=4 1214 B17R2.25462 CC(=O)CCSc1n[nH]c2c1cc(cc2)N 62a_100000053229_100012353729 [0,1,0,0,0,1|2,0,0]=4 1215 B17R2.25462 CC(=O)COCc1csc2c1cc(cc2)Cl 34a_100000211253_100009814428 [0,1,0,0,0,1|2,0,0]=4 1216 B17R2.25462 CC(=O)COCc1csc2c1cc(cc2)F 34a_100000211253_100010109839 [0,1,0,0,0,1|2,0,0]=4 1217 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 240690a_100016990496_100015343762 [0,1,0,0,0,1|1,0,0]=3 1218 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Br 527a_100016990496_100103153847 [0,1,0,0,0,1|1,0,0]=3 1219 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 11a_100000008874_100015343762 [0,1,0,0,0,1|1,0,0]=3 1220 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 240690a_100000008874_100015343762 [0,1,0,0,0,1|1,0,0]=3 1221 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)C 527a_100000008874_100103153847 [0,1,0,0,0,1|1,0,0]=3 1222 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 11a_100000763428_100015343762 [0,1,0,0,0,1|1,0,0]=3 1223 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 240690a_100000763428_100015343762 [0,1,0,0,0,1|1,0,0]=3 1224 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)Cl 527a_100000763428_100103153847 [0,1,0,0,0,1|1,0,0]=3 1225 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 11a_100000725365_100015343762 [0,1,0,0,0,1|1,0,0]=3 1226 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 240690a_100000725365_100015343762 [0,1,0,0,0,1|1,0,0]=3 1227 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)F 527a_100000725365_100103153847 [0,1,0,0,0,1|1,0,0]=3 1228 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 240690a_100000009091_100015343762 [0,1,0,0,0,1|1,0,0]=3 1229 B17R2.25462 CC(=O)NCCc1c[nH]c2c1cc(cc2)O 527a_100000009091_100103153847 [0,1,0,0,0,1|1,0,0]=3 1230 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 11a_100016989105_100015343762 [0,1,0,0,0,1|2,0,0]=4 1231 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 1626a_100016989105_100015343762 [0,1,0,0,0,1|2,0,0]=4 1232 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 240690a_100016989105_100015343762 [0,1,0,0,0,1|2,0,0]=4 1233 B17R2.25462 CC(=O)NCCc1csc2c1cc(cc2)Br 527a_100016989105_100103153847 [0,1,0,0,0,1|2,0,0]=4 1234 B17R2.25462 Cc1ccc2[nH]cc(c2n1)SCCC(=O)N 62a_100000744528_100010212567 [0,1,0,0,0,1|2,0,0]=4 1235 B17R2.25462 Cc1ccc2[nH]nc(c2c1)SCCC(=O)N 62a_100000744528_100000123028 [0,1,0,0,0,1|2,0,0]=4 1236 B17R2.25462 Cc1cnc2[nH]cc(c2c1)SCCC(=O)N 62a_100000744528_100010246215 [0,1,0,0,0,1|2,0,0]=4 1237 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)Br 62a_100000744528_100011290788 [0,1,0,0,0,1|2,0,0]=4 1238 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000744528 [0,1,0,0,0,1|2,0,0]=4 1239 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)Cl 62a_100000744528_100000050100 [0,1,0,0,0,1|2,0,0]=4 1240 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)F 62a_100000744528_100010168383 [0,1,0,0,0,1|2,0,0]=4 1241 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(cn2)N 62a_100000744528_100010168510 [0,1,0,0,0,1|2,0,0]=4 1242 B17R2.25462 NC(=O)CCSc1c[nH]c2c1cc(nc2)Cl 62a_100000744528_100010168685 [0,1,0,0,0,1|2,0,0]=4 1243 B17R2.25462 NC(=O)CCSc1c[nH]c2c1nc(cc2)Br 62a_100000744528_100010168532 [0,1,0,0,0,1|2,0,0]=4 1244 B17R2.25462 NC(=O)CCSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000744528 [0,1,0,0,0,1|2,0,0]=4 1245 B17R2.25462 NC(=O)CCSc1c[nH]c2c1nc(cc2)Cl 62a_100000744528_100010168529 [0,1,0,0,0,1|2,0,0]=4 1246 B17R2.25462 NC(=O)CCSc1csc2c1cc(cc2)N 62a_100000744528_100011178648 [0,1,0,0,0,1|2,0,0]=4 1247 B17R2.25462 NC(=O)CCSc1csc2c1cc(cc2)N 62a_100011178648_100000744528 [0,1,0,0,0,1|2,0,0]=4 1248 B17R2.25462 NC(=O)CCSc1n[nH]c2c1cc(cc2)Br 62a_100000744528_100010186058 [0,1,0,0,0,1|2,0,0]=4 1249 B17R2.25462 NC(=O)CCSc1n[nH]c2c1cc(cc2)Cl 62a_100000744528_100010174404 [0,1,0,0,0,1|2,0,0]=4 1250 B17R2.25462 NC(=O)CCSc1n[nH]c2c1cc(cc2)F 62a_100000744528_100011934747 [0,1,0,0,0,1|2,0,0]=4 1251 B17R2.25462 NC(=O)CCSc1n[nH]c2c1cc(cc2)N 62a_100000744528_100012353729 [0,1,0,0,0,1|2,0,0]=4 1252 B17R2.25462 NC(=O)CNCc1csc2c1cc(cc2)Cl 2230a_100000711301_100009814428 [0,1,0,0,0,1|2,0,0]=4 1253 B17R2.25462 NC(=O)CNCc1csc2c1cc(cc2)F 2230a_100000711301_100010109839 [0,1,0,0,0,1|2,0,0]=4 1254 B17R2.25462 NC(=O)COCc1csc2c1cc(cc2)Cl 34a_200000043707_100000187820 [0,1,0,0,0,1|2,0,0]=4 1255 B17R2.25462 NC(=O)COCc1csc2c1cc(cc2)Cl 7a_200000043707_100000187820 [0,1,0,0,0,1|2,0,0]=4 1256 B17R2.25462 NC(=O)CSCc1csc2c1cc(cc2)Cl 62a_100000747473_100009814428 [0,1,0,0,0,1|2,0,0]=4 1257 B17R2.25462 NC(=O)CSCc1csc2c1cc(cc2)Cl 62a_100009814428_100000747473 [0,1,0,0,0,1|2,0,0]=4 1258 B17R2.25462 NC(=O)CSCc1csc2c1cc(cc2)F 62a_100000747473_100010109839 [0,1,0,0,0,1|2,0,0]=4 1259 B17R2.25462 NC(=O)CSCc1csc2c1cc(cc2)F 62a_100010109839_100000747473 [0,1,0,0,0,1|2,0,0]=4 1260 B17R2.25462 O=C(O)CNCc1csc2c1cc(cc2)Cl 269956a_100016091260_100009814428 [0,1,0,0,0,1|1,0,0]=3 1261 B17R2.25462 O=C(O)CNCc1csc2c1cc(cc2)F 269956a_100016091260_100010109839 [0,1,0,0,0,1|1,0,0]=3 1262 B17R2.25462 O=C([O-])COCc1csc2c1cc(cc2)Cl 34a_200000043707_100020667443 [0,1,0,0,0,1|1,0,1]=4 1263 B17R2.25462 O=C([O-])CSCc1csc2c1cc(cc2)Cl 62a_100009814428_100020667443 [0,1,0,0,0,1|1,0,1]=4 1264 B17R2.25462 O=C([O-])CSCc1csc2c1cc(cc2)Cl 62a_100020667443_100009814428 [0,1,0,0,0,1|1,0,1]=4 1265 B17R2.25462 O=C([O-])CSCc1csc2c1cc(cc2)F 62a_100010109839_100020667443 [0,1,0,0,0,1|1,0,1]=4 1266 B17R2.25462 O=C([O-])CSCc1csc2c1cc(cc2)F 62a_100020667443_100010109839 [0,1,0,0,0,1|1,0,1]=4 1267 B17R2.25462 [13CH3]C(=O)CCCc1c[nH]c2c1cc(cc2)F 1458a_100000067597_200025704644 [0,1,0,0,0,1|1,0,0]=3 1268 B17R2.37440 CC(=O)CCSc1c[nH]c2c1nccc2Cl 62a_100000053229_100010168581 [0,1,0,0,0,1|2,0,0]=4 1269 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2Br 62a_100000053229_100010197283 [0,1,0,0,0,1|2,0,0]=4 1270 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2C 62a_100000053229_100010186057 [0,1,0,0,0,1|2,0,0]=4 1271 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2Cl 62a_100000053229_100000050086 [0,1,0,0,0,1|2,0,0]=4 1272 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2F 62a_100000053229_100010231504 [0,1,0,0,0,1|2,0,0]=4 1273 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2N 62a_100000053229_100009888981 [0,1,0,0,0,1|2,0,0]=4 1274 B17R2.37440 CC(=O)CCSc1n[nH]c2c1cccc2O 62a_100000053229_200010988877 [0,1,0,0,0,1|2,0,0]=4 1275 B17R2.37440 CC(=O)NCCc1c[nH]c2c1cccc2C 11a_100015184521_100015343762 [0,1,0,0,0,1|1,0,0]=3 1276 B17R2.37440 CC(=O)NCCc1c[nH]c2c1cccc2C 240690a_100015184521_100015343762 [0,1,0,0,0,1|1,0,0]=3 1277 B17R2.37440 CC(=O)NCCc1c[nH]c2c1cccc2C 527a_100015184521_100103153847 [0,1,0,0,0,1|1,0,0]=3 1278 B17R2.37440 CC(O)CNCc1c[nH]c2c1cccc2Br 270004a_100000210904_100009814786 [0,1,0,0,0,1|1,0,1]=4 1279 B17R2.37440 CC(O)CNCc1c[nH]c2c1cccc2Cl 270004a_100000210904_100011361501 [0,1,0,0,0,1|1,0,1]=4 1280 B17R2.37440 Cc1cccc2c1[nH]cc2CNCC(C)O 270004a_100000210904_100000040139 [0,1,0,0,0,1|1,0,1]=4 1281 B17R2.37440 Cc1cccc2c1[nH]nc2SCCC(=O)N 62a_100000744528_100010186057 [0,1,0,0,0,1|2,0,0]=4 1282 B17R2.37440 NC(=O)CCSc1c[nH]c2c1nccc2Cl 62a_100000744528_100010168581 [0,1,0,0,0,1|2,0,0]=4 1283 B17R2.37440 NC(=O)CCSc1n[nH]c2c1cccc2Br 62a_100000744528_100010197283 [0,1,0,0,0,1|2,0,0]=4 1284 B17R2.37440 NC(=O)CCSc1n[nH]c2c1cccc2Cl 62a_100000744528_100000050086 [0,1,0,0,0,1|2,0,0]=4 1285 B17R2.37440 NC(=O)CCSc1n[nH]c2c1cccc2F 62a_100000744528_100010231504 [0,1,0,0,0,1|2,0,0]=4 1286 B17R2.37440 NC(=O)CCSc1n[nH]c2c1cccc2N 62a_100000744528_100009888981 [0,1,0,0,0,1|2,0,0]=4 1287 B17R2.37440 NC(=O)CCSc1n[nH]c2c1cccc2O 62a_100000744528_200010988877 [0,1,0,0,0,1|2,0,0]=4 1288 B17R2.37553 CC(=O)CCSc1c[nH]c2c1c(ccn2)Br 62a_100000053229_100010212587 [0,1,0,0,0,1|2,0,0]=4 1289 B17R2.37553 CC(=O)CCSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000053229 [0,1,0,0,0,1|2,0,0]=4 1290 B17R2.37553 CC(=O)CCSc1c[nH]c2c1c(ccn2)Cl 62a_100000053229_100011356983 [0,1,0,0,0,1|2,0,0]=4 1291 B17R2.37553 CC(=O)CCSc1c[nH]c2c1c(ccn2)F 62a_100000053229_100010168365 [0,1,0,0,0,1|2,0,0]=4 1292 B17R2.37553 CC(=O)CCSc1n[nH]c2c1c(ccc2)Br 62a_100000053229_100010186043 [0,1,0,0,0,1|2,0,0]=4 1293 B17R2.37553 CC(=O)CCSc1n[nH]c2c1c(ccc2)C 62a_100000053229_100000049903 [0,1,0,0,0,1|2,0,0]=4 1294 B17R2.37553 CC(=O)CCSc1n[nH]c2c1c(ccc2)Cl 62a_100000053229_100000049730 [0,1,0,0,0,1|2,0,0]=4 1295 B17R2.37553 CC(=O)CCSc1n[nH]c2c1c(ccc2)F 62a_100000053229_100000049989 [0,1,0,0,0,1|2,0,0]=4 1296 B17R2.37553 CC(=O)CCSc1n[nH]c2c1c(ccc2)N 62a_100000053229_100010186038 [0,1,0,0,0,1|2,0,0]=4 1297 B17R2.37553 Cc1cccc2c1c(n[nH]2)SCCC(=O)N 62a_100000744528_100000049903 [0,1,0,0,0,1|2,0,0]=4 1298 B17R2.37553 NC(=O)CCSc1c[nH]c2c1c(ccn2)Br 62a_100000744528_100010212587 [0,1,0,0,0,1|2,0,0]=4 1299 B17R2.37553 NC(=O)CCSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000744528 [0,1,0,0,0,1|2,0,0]=4 1300 B17R2.37553 NC(=O)CCSc1c[nH]c2c1c(ccn2)Cl 62a_100000744528_100011356983 [0,1,0,0,0,1|2,0,0]=4 1301 B17R2.37553 NC(=O)CCSc1c[nH]c2c1c(ccn2)F 62a_100000744528_100010168365 [0,1,0,0,0,1|2,0,0]=4 1302 B17R2.37553 NC(=O)CCSc1n[nH]c2c1c(ccc2)Br 62a_100000744528_100010186043 [0,1,0,0,0,1|2,0,0]=4 1303 B17R2.37553 NC(=O)CCSc1n[nH]c2c1c(ccc2)Cl 62a_100000744528_100000049730 [0,1,0,0,0,1|2,0,0]=4 1304 B17R2.37553 NC(=O)CCSc1n[nH]c2c1c(ccc2)F 62a_100000744528_100000049989 [0,1,0,0,0,1|2,0,0]=4 1305 B17R2.37553 NC(=O)CCSc1n[nH]c2c1c(ccc2)N 62a_100000744528_100010186038 [0,1,0,0,0,1|2,0,0]=4 1306 B17R2.78537 C=C(C)CNCc1cn(c2c1cccc2)C 34a_100011997738_100000748629 [0,1,0,0,0,1|2,0,0]=4 1307 B17R2.78537 C=C(F)CNCc1cn(c2c1cccc2)C 34a_100011997738_100009893438 [0,1,0,0,0,1|2,0,0]=4 1308 B17R2.78537 CC(=O)CCSc1cn(c2c1cccn2)C 62a_100000053229_100010205794 [0,1,0,0,0,1|2,0,0]=4 1309 B17R2.78537 CC(=O)CCSc1nn(c2c1cccc2)C 62a_100000053229_100009817141 [0,1,0,0,0,1|2,0,0]=4 1310 B17R2.78537 CC(=O)CCSc1nn(c2c1cccc2)C 62a_100009817141_100000053229 [0,1,0,0,0,1|2,0,0]=4 1311 B17R2.78537 CC(O)CNCc1cn(c2c1cccc2)C 34a_100011997738_100011218427 [0,1,0,0,0,1|1,0,1]=4 1312 B17R2.78537 C[C@@H](O)CNCc1cn(c2c1cccc2)C 34a_100011997738_100009817552 [0,1,0,0,0,1|1,0,1]=4 1313 B17R2.78537 Cn1cc(c2c1cccc2)CNCC(=O)N 34a_100011997738_100000187820 [0,1,0,0,0,1|1,0,0]=3 1314 B17R2.78537 Cn1cc(c2c1cccc2)CNCC(=O)[O-] 34a_100011997738_100020667443 [0,1,0,0,0,1|0,0,1]=3 1315 B17R2.78537 Cn1cc(c2c1cccc2)CNC[N+](=O)[O-] 34a_100011997738_100000761209 [0,1,0,0,0,1|1,0,1]=4 1316 B17R2.78537 Cn1cc(c2c1nccc2)SCCC(=O)N 62a_100000744528_100010205794 [0,1,0,0,0,1|2,0,0]=4 1317 B17R2.78537 Cn1nc(c2c1cccc2)CNCC(=O)N 34a_200011934655_100000187820 [0,1,0,0,0,1|2,0,0]=4 1318 B17R2.78537 Cn1nc(c2c1cccc2)CNCC(=O)[O-] 34a_200011934655_100020667443 [0,1,0,0,0,1|1,0,1]=4 1319 B17R2.78537 Cn1nc(c2c1cccc2)COCC(=O)N 34a_100011934675_100000187820 [0,1,0,0,0,1|2,0,0]=4 1320 B17R2.78537 Cn1nc(c2c1cccc2)COCC(=O)[O-] 34a_100011934675_100020667443 [0,1,0,0,0,1|1,0,1]=4 1321 B17R2.78537 Cn1nc(c2c1cccc2)SCCC(=O)N 62a_100000744528_100009817141 [0,1,0,0,0,1|2,0,0]=4 1322 B17R2.78537 Cn1nc(c2c1cccc2)SCCC(=O)N 62a_100009817141_100000744528 [0,1,0,0,0,1|2,0,0]=4 1323 B17R2.556 CCC(=O)CCc1ccc2ccccc2c1 1458a_100000743016_100000210202 [0,1,0,0,0,1|2,0,0]=4 1324 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 11a_106832991635_100000743016 [0,1,0,0,0,1|2,0,0]=4 1325 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 1626a_100102657272_100000743016 [0,1,0,0,0,1|2,0,0]=4 1326 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 240690a_100102657272_100000743016 [0,1,0,0,0,1|2,0,0]=4 1327 B17R2.556 CNC(=O)CCc1ccc2ccccc2c1 527a_100102657272_100000743016 [0,1,0,0,0,1|2,0,0]=4 1328 B17R2.556 COC(=O)CNc1ccc2ccccc2c1 34a_100000211940_100000747449 [0,1,0,0,0,1|2,0,0]=4 1329 B17R2.556 COC(=O)CNc1ccc2ccccc2c1 7a_100000211940_100000747449 [0,1,0,0,0,1|2,0,0]=4 1330 B17R2.556 COC(=O)COc1ccc2ccccc2c1 34a_100000185828_100000747449 [0,1,0,0,0,1|2,0,0]=4 1331 B17R2.556 COC(=O)COc1ccc2ccccc2c1 7a_100000185828_100000747449 [0,1,0,0,0,1|2,0,0]=4 1332 B17R2.556 COC(=O)COc1cnc2ccccc2c1 34a_100011934006_100000747449 [0,1,0,0,0,1|1,0,1]=4 1333 B17R2.556 COC(=O)COc1cnc2ccccc2c1 7a_100011934006_100000747449 [0,1,0,0,0,1|1,0,1]=4 1334 B17R2.556 COC(=O)CSc1ccc2ccccc2c1 62a_100000747449_100000233703 [0,1,0,0,0,1|2,0,0]=4 1335 B17R2.556 COC(=O)CSc1ccc2ccccc2n1 62a_100000747449_100011291633 [0,1,0,0,0,1|2,0,0]=4 1336 B17R2.556 COC(=O)CSc1ccc2ccccc2n1 62a_100011291633_100000747449 [0,1,0,0,0,1|2,0,0]=4 1337 B17R2.556 COC(=O)CSc1cnc2ccccc2c1 62a_100000747449_100000737414 [0,1,0,0,0,1|1,0,1]=4 1338 B17R2.556 COC(=O)CSc1cnc2ccccc2n1 62a_100000747449_100000756483 [0,1,0,0,0,1|1,0,1]=4 1339 B17R2.556 COC(=O)CSc1cnc2ccccc2n1 62a_100000756483_100000747449 [0,1,0,0,0,1|1,0,1]=4 1340 B17R2.556 O=C(CF)CCc1ccc2ccccc2c1 1458a_100000743016_100015361967 [0,1,0,0,0,1|2,0,0]=4 1341 B17R2.556 O=C(CO)NCc1ccc2ccccc2c1 240690a_100000739491_100000210174 [0,1,0,0,0,1|2,0,0]=4 1342 B17R2.556 O=C(CO)NCc1ccc2ccccc2c1 527a_100000739491_100000210174 [0,1,0,0,0,1|2,0,0]=4 1343 B17R2.556 O=C(CO)NCc1ccc2ccccc2n1 240690a_100015185970_100000210174 [0,1,0,0,0,1|2,0,0]=4 1344 B17R2.556 O=C(CO)NCc1ccc2ccccc2n1 527a_100015185970_100000210174 [0,1,0,0,0,1|2,0,0]=4 1345 B17R2.556 O=C(CO)NCc1cnc2ccccc2c1 240690a_100000742225_100000210174 [0,1,0,0,0,1|1,0,1]=4 1346 B17R2.556 O=C(CO)NCc1cnc2ccccc2c1 527a_100000742225_100000210174 [0,1,0,0,0,1|1,0,1]=4 1347 B17R2.5006 CC(=O)CCc1cc2ccccc2nc1Cl 1458a_100000070787_100000066995 [0,1,0,0,0,1|1,0,1]=4 1348 B17R2.5006 CC(=O)CCc1nc2ccccc2[nH]c1=O 1458a_100000010020_200000210301 [0,1,0,0,0,1|1,0,0]=3 1349 B17R2.5006 [13CH3]C(=O)CCc1nc2ccccc2[nH]c1=O 1458a_100000010020_200025704644 [0,1,0,0,0,1|1,0,0]=3 1350 B17R2.155580 NC(=O)CSc1c[nH]c2ccccc2c1=O 62a_100000747473_100012348052 [0,1,0,0,0,1|2,0,0]=4 1351 B17R2.155580 O=C([O-])CSc1c[nH]c2ccccc2c1=O 62a_100020667443_100012348052 [0,1,0,0,0,1|1,0,1]=4 1352 B17R2.5014 NC(=O)CSc1cc(=O)[nH]c2c1cccc2 62a_100000747473_100000075698 [0,1,0,0,0,1|2,0,0]=4 1353 B17R2.5014 O=C([O-])CSc1cc(=O)[nH]c2c1cccc2 62a_100020667443_100000075698 [0,1,0,0,0,1|1,0,1]=4 1354 B17R2.39629 CC(=O)CCc1ccc(c2c1cccc2)C 1458a_200010294770_200000210301 [0,1,0,0,0,1|2,0,0]=4 1355 B17R2.39629 Cc1ccc(c2c1cccc2)CCC(=O)[13CH3] 1458a_200010294770_200025704644 [0,1,0,0,0,1|2,0,0]=4 1356 B17R2.353364 C#CC(=O)CCc1cccc2c1cccc2 1458a_100000211873_100011290781 [0,1,0,0,0,1|2,0,0]=4 1357 B17R2.353364 C=CC(=O)CCc1cccc2c1cccc2 1458a_100000185746_100011290781 [0,1,0,0,0,1|2,0,0]=4 1358 B17R2.353364 CCC(=O)CCc1cccc2c1cccc2 1458a_100000210414_100011290781 [0,1,0,0,0,1|2,0,0]=4 1359 B17R2.353364 CCC(=O)CCc1cccc2c1cccc2 1458a_100011218451_100000210202 [0,1,0,0,0,1|2,0,0]=4 1360 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 11a_106832991635_100011218451 [0,1,0,0,0,1|2,0,0]=4 1361 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 1626a_100102657272_100011218451 [0,1,0,0,0,1|2,0,0]=4 1362 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 240690a_100102657272_100011218451 [0,1,0,0,0,1|2,0,0]=4 1363 B17R2.353364 CNC(=O)CCc1cccc2c1cccc2 527a_100102657272_100011218451 [0,1,0,0,0,1|2,0,0]=4 1364 B17R2.353364 COC(=O)CNc1cccc2c1cccc2 34a_100000185869_100000747449 [0,1,0,0,0,1|2,0,0]=4 1365 B17R2.353364 COC(=O)COc1cccc2c1cccc2 34a_100000210388_100000747449 [0,1,0,0,0,1|2,0,0]=4 1366 B17R2.353364 COC(=O)COc1cccc2c1cccc2 7a_100000210388_100000747449 [0,1,0,0,0,1|2,0,0]=4 1367 B17R2.353364 COC(=O)COc1cncc2c1cccc2 34a_100000066178_100000747449 [0,1,0,0,0,1|1,0,1]=4 1368 B17R2.353364 COC(=O)COc1cncc2c1cccc2 7a_100000066178_100000747449 [0,1,0,0,0,1|1,0,1]=4 1369 B17R2.353364 COC(=O)COc1nccc2c1cccc2 34a_102531767632_100000747449 [0,1,0,0,0,1|2,0,0]=4 1370 B17R2.353364 COC(=O)CSc1cccc2c1cccc2 62a_100000747449_100000210605 [0,1,0,0,0,1|2,0,0]=4 1371 B17R2.353364 COC(=O)CSc1ccnc2c1cccc2 62a_100000747449_100011215880 [0,1,0,0,0,1|1,0,1]=4 1372 B17R2.353364 COC(=O)CSc1ccnc2c1cccc2 62a_100011458314_100000747449 [0,1,0,0,0,1|1,0,1]=4 1373 B17R2.353364 COC(=O)CSc1cncc2c1cccc2 62a_100000187577_100000747449 [0,1,0,0,0,1|1,0,1]=4 1374 B17R2.353364 COC(=O)CSc1cncc2c1cccc2 62a_100000747449_100000187577 [0,1,0,0,0,1|1,0,1]=4 1375 B17R2.353364 COC(=O)CSc1cnnc2c1cccc2 62a_100000747449_100000063506 [0,1,0,0,0,1|1,0,1]=4 1376 B17R2.353364 COC(=O)CSc1nccc2c1cccc2 62a_100000747449_100011934041 [0,1,0,0,0,1|2,0,0]=4 1377 B17R2.353364 COC(=O)CSc1nccc2c1cccc2 62a_100011934041_100000747449 [0,1,0,0,0,1|2,0,0]=4 1378 B17R2.353364 COC(=O)CSc1ncnc2c1cccc2 62a_100000747449_100000217608 [0,1,0,0,0,1|1,0,1]=4 1379 B17R2.353364 COC(=O)CSc1ncnc2c1cccc2 62a_100000753007_100000747449 [0,1,0,0,0,1|1,0,1]=4 1380 B17R2.353364 O=C(CF)CCc1cccc2c1cccc2 1458a_100011218451_100015361967 [0,1,0,0,0,1|2,0,0]=4 1381 B17R2.353364 O=C(CO)CCc1cccc2c1cccc2 1458a_100000210174_100011290781 [0,1,0,0,0,1|1,0,0]=3 1382 B17R2.353364 O=C(CO)NCc1cccc2c1cccc2 240690a_100000753325_100000210174 [0,1,0,0,0,1|2,0,0]=4 1383 B17R2.353364 O=C(CO)NCc1cccc2c1cccc2 527a_100000753325_100000210174 [0,1,0,0,0,1|2,0,0]=4 1384 B17R2.353364 O=C(CO)NCc1ccnc2c1cccc2 240690a_100015187208_100000210174 [0,1,0,0,0,1|1,0,1]=4 1385 B17R2.353364 O=C(CO)NCc1ccnc2c1cccc2 527a_100015187208_100000210174 [0,1,0,0,0,1|1,0,1]=4 1386 B17R2.353364 O=C(CO)NCc1nccc2c1cccc2 240690a_100000735229_100000210174 [0,1,0,0,0,1|2,0,0]=4 1387 B17R2.353364 O=C(CO)NCc1nccc2c1cccc2 527a_100000735229_100000210174 [0,1,0,0,0,1|2,0,0]=4 1388 B17R2.7 COC(=O)C(C)Oc1csc2c1cccc2 34a_100000077758_100000211248 [0,2,0,0,0,0|2,0,0]=4 1389 B17R2.7 COC(=O)C(C)Oc1csc2c1cccc2 7a_100000077758_100000211248 [0,2,0,0,0,0|2,0,0]=4 1390 B17R2.7 COC(=O)C(C)Sc1c[nH]c2c1cccn2 62a_100000211248_100011934613 [0,2,0,0,0,0|2,0,0]=4 1391 B17R2.7 COC(=O)C(C)Sc1c[nH]c2c1ccnc2 62a_100000211248_100010232032 [0,2,0,0,0,0|2,0,0]=4 1392 B17R2.7 COC(=O)C(C)Sc1c[nH]c2c1cncc2 62a_100000211248_100000753697 [0,2,0,0,0,0|2,0,0]=4 1393 B17R2.7 COC(=O)C(C)Sc1c[nH]c2c1nccc2 62a_100000211248_100009817151 [0,2,0,0,0,0|2,0,0]=4 1394 B17R2.7 COC(=O)C(C)Sc1coc2c1cccc2 62a_100000211248_100009812202 [0,2,0,0,0,0|2,0,0]=4 1395 B17R2.7 COC(=O)C(C)Sc1csc2c1cccc2 62a_100000211248_100009813928 [0,2,0,0,0,0|2,0,0]=4 1396 B17R2.7 COC(=O)C(C)Sc1n[nH]c2c1cccc2 62a_100000211248_100000050141 [0,2,0,0,0,0|2,0,0]=4 1397 B17R2.289 CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N 2230a_100015190000_200000210301 [0,2,0,0,0,0|1,0,0]=3 1398 B17R2.289 [13CH3]N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N 2230a_100015190000_200025704644 [0,2,0,0,0,0|1,0,0]=3 1399 B17R2.5003 C[C@H](NC1C(=O)Nc2c1cccc2)C(=O)O 269956a_100000743915_200009996675 [0,2,0,0,0,0|1,0,1]=4 1400 B17R2.6 C#CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000184674 [0,2,0,0,0,0|1,0,0]=3 1401 B17R2.6 C#CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100011220946_100011218569 [0,2,0,0,0,0|1,0,0]=3 1402 B17R2.6 C#CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100011220946_100009895007 [0,2,0,0,0,0|2,0,0]=4 1403 B17R2.6 C#CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100000184674 [0,2,0,0,0,0|2,0,0]=4 1404 B17R2.6 C#CCC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100011220946 [0,2,0,0,0,0|2,0,0]=4 1405 B17R2.6 C=CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210193_100011218569 [0,2,0,0,0,0|1,0,0]=3 1406 B17R2.6 C=CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000210623 [0,2,0,0,0,0|1,0,0]=3 1407 B17R2.6 C=CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100000210193_100009895007 [0,2,0,0,0,0|2,0,0]=4 1408 B17R2.6 C=CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100000210623 [0,2,0,0,0,0|2,0,0]=4 1409 B17R2.6 C=CCC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210193 [0,2,0,0,0,0|2,0,0]=4 1410 B17R2.6 C=CCC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210193 [0,2,0,0,0,0|2,0,0]=4 1411 B17R2.6 C=COC(=O)COc1csc2c1cccc2 34a_100000077758_100000036128 [0,2,0,0,0,0|2,0,0]=4 1412 B17R2.6 C=COC(=O)CSc1c[nH]c2c1cccn2 62a_100000036128_100011934613 [0,2,0,0,0,0|2,0,0]=4 1413 B17R2.6 C=COC(=O)CSc1c[nH]c2c1ccnc2 62a_100000036128_100010232032 [0,2,0,0,0,0|2,0,0]=4 1414 B17R2.6 C=COC(=O)CSc1c[nH]c2c1cncc2 62a_100000036128_100000753697 [0,2,0,0,0,0|2,0,0]=4 1415 B17R2.6 C=COC(=O)CSc1c[nH]c2c1nccc2 62a_100000036128_100009817151 [0,2,0,0,0,0|2,0,0]=4 1416 B17R2.6 C=COC(=O)CSc1coc2c1cccc2 62a_100000036128_100009812202 [0,2,0,0,0,0|2,0,0]=4 1417 B17R2.6 C=COC(=O)CSc1csc2c1cccc2 62a_100000036128_100009813928 [0,2,0,0,0,0|2,0,0]=4 1418 B17R2.6 C=COC(=O)CSc1n[nH]c2c1cccc2 62a_100000036128_100000050141 [0,2,0,0,0,0|2,0,0]=4 1419 B17R2.6 CC#CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000763181_100011218569 [0,2,0,0,0,0|1,0,0]=3 1420 B17R2.6 CC#CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000763181_100009895007 [0,2,0,0,0,0|2,0,0]=4 1421 B17R2.6 CC=CC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210699_100011218569 [0,2,0,0,0,0|1,0,0]=3 1422 B17R2.6 CC=CC(=O)CCc1c[nH]c2c1cccn2 1458a_100000210699_100009895007 [0,2,0,0,0,0|2,0,0]=4 1423 B17R2.6 CC=CC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210699 [0,2,0,0,0,0|2,0,0]=4 1424 B17R2.6 CCCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000210303 [0,2,0,0,0,0|1,0,0]=3 1425 B17R2.6 CCCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211992_100011218569 [0,2,0,0,0,0|1,0,0]=3 1426 B17R2.6 CCCC(=O)CCc1c[nH]c2c1cccn2 1458a_100000211992_100009895007 [0,2,0,0,0,0|2,0,0]=4 1427 B17R2.6 CCCC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100000210303 [0,2,0,0,0,0|2,0,0]=4 1428 B17R2.6 CCCC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000211992 [0,2,0,0,0,0|2,0,0]=4 1429 B17R2.6 CCCC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000211992 [0,2,0,0,0,0|2,0,0]=4 1430 B17R2.6 CCNC(=O)CCc1c[nH]c2c1cccc2 11a_100015525214_100000211458 [0,2,0,0,0,0|1,0,0]=3 1431 B17R2.6 CCNC(=O)CCc1c[nH]c2c1cccc2 240690a_100015525214_100000211458 [0,2,0,0,0,0|1,0,0]=3 1432 B17R2.6 CCNC(=O)CCc1c[nH]c2c1cccc2 527a_100015525214_100000211458 [0,2,0,0,0,0|1,0,0]=3 1433 B17R2.6 CCNC(=O)CCc1c[nH]c2c1cccn2 11a_100015525214_100102525369 [0,2,0,0,0,0|2,0,0]=4 1434 B17R2.6 CCNC(=O)CCc1c[nH]c2c1cccn2 240690a_100015525214_100102525369 [0,2,0,0,0,0|2,0,0]=4 1435 B17R2.6 CCNC(=O)CCc1c[nH]c2c1cccn2 527a_100015525214_100102525369 [0,2,0,0,0,0|2,0,0]=4 1436 B17R2.6 CCNC(=O)NCc1c[nH]c2c1cccc2 2708a_100015202335_100015525214 [0,2,0,0,0,0|2,0,0]=4 1437 B17R2.6 CCNC(=O)NCc1c[nH]c2c1cccc2 2708a_100015525214_100015202335 [0,2,0,0,0,0|2,0,0]=4 1438 B17R2.6 CCNC(=O)NCc1c[nH]c2c1cccc2 273464a_100015202335_100015525214 [0,2,0,0,0,0|2,0,0]=4 1439 B17R2.6 CCNC(=O)NCc1c[nH]c2c1cccc2 273464a_100015525214_100015202335 [0,2,0,0,0,0|2,0,0]=4 1440 B17R2.6 CCNC(=O)NCc1c[nH]c2c1cccc2 512a_100015525214_100015202335 [0,2,0,0,0,0|2,0,0]=4 1441 B17R2.6 CCOC(=O)COc1csc2c1cccc2 34a_100000077758_100000188475 [0,2,0,0,0,0|2,0,0]=4 1442 B17R2.6 CCOC(=O)COc1csc2c1cccc2 7a_100000077758_100000188475 [0,2,0,0,0,0|2,0,0]=4 1443 B17R2.6 CCOC(=O)CSc1c[nH]c2c1cccn2 62a_100000188475_100011934613 [0,2,0,0,0,0|2,0,0]=4 1444 B17R2.6 CCOC(=O)CSc1c[nH]c2c1ccnc2 62a_100000188475_100010232032 [0,2,0,0,0,0|2,0,0]=4 1445 B17R2.6 CCOC(=O)CSc1c[nH]c2c1cncc2 62a_100000188475_100000753697 [0,2,0,0,0,0|2,0,0]=4 1446 B17R2.6 CCOC(=O)CSc1c[nH]c2c1nccc2 62a_100000188475_100009817151 [0,2,0,0,0,0|2,0,0]=4 1447 B17R2.6 CCOC(=O)CSc1coc2c1cccc2 62a_100000188475_100009812202 [0,2,0,0,0,0|2,0,0]=4 1448 B17R2.6 CCOC(=O)CSc1csc2c1cccc2 62a_100000188475_100009813928 [0,2,0,0,0,0|2,0,0]=4 1449 B17R2.6 CCOC(=O)CSc1n[nH]c2c1cccc2 62a_100000188475_100000050141 [0,2,0,0,0,0|2,0,0]=4 1450 B17R2.6 CN(CCO)CCc1c[nH]c2c1cccc2 2230a_100000210263_100011218569 [0,2,0,0,0,0|2,0,0]=4 1451 B17R2.6 CN(CCO)CCc1c[nH]c2c1cccc2 2230a_200009996482_200000210301 [0,2,0,0,0,0|2,0,0]=4 1452 B17R2.6 CN(CCO)CCc1c[nH]c2c1cccc2 269982a_100000210263_100011218569 [0,2,0,0,0,0|2,0,0]=4 1453 B17R2.6 CN(CCO)CCc1c[nH]c2c1cccc2 269982a_200009996482_200000210301 [0,2,0,0,0,0|2,0,0]=4 1454 B17R2.6 CNNC(=O)CCc1c[nH]c2c1cccc2 22a_100016993582_100000211458 [0,2,0,0,0,0|1,0,0]=3 1455 B17R2.6 CNNC(=O)CCc1c[nH]c2c1cccn2 22a_100016993582_100102525369 [0,2,0,0,0,0|2,0,0]=4 1456 B17R2.6 CNNC(=O)NCc1c[nH]c2c1cccc2 273464a_100015202335_100016993582 [0,2,0,0,0,0|2,0,0]=4 1457 B17R2.6 CNNC(=O)NCc1c[nH]c2c1cccc2 512a_100016993582_100015202335 [0,2,0,0,0,0|2,0,0]=4 1458 B17R2.6 COCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000210968_100011218569 [0,2,0,0,0,0|0,0,0]=2 1459 B17R2.6 COCC(=O)CCc1c[nH]c2c1cccn2 1458a_100000210968_100009895007 [0,2,0,0,0,0|1,0,0]=3 1460 B17R2.6 COCC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000210968 [0,2,0,0,0,0|1,0,0]=3 1461 B17R2.6 COCC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000210968 [0,2,0,0,0,0|1,0,0]=3 1462 B17R2.6 COCC(=O)NCc1csc2c1cccc2 11a_100000744611_100000210968 [0,2,0,0,0,0|2,0,0]=4 1463 B17R2.6 COCC(=O)NCc1csc2c1cccc2 1626a_100000744611_100000210968 [0,2,0,0,0,0|2,0,0]=4 1464 B17R2.6 COCC(=O)NCc1csc2c1cccc2 240690a_100000744611_100000210968 [0,2,0,0,0,0|2,0,0]=4 1465 B17R2.6 COCC(=O)NCc1csc2c1cccc2 527a_100000744611_100000210968 [0,2,0,0,0,0|2,0,0]=4 1466 B17R2.6 CSCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000184570_100011218569 [0,2,0,0,0,0|0,1,0]=3 1467 B17R2.6 CSCC(=O)CCc1c[nH]c2c1cccn2 1458a_100000184570_100009895007 [0,2,0,0,0,0|1,1,0]=4 1468 B17R2.6 CSCC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100000184570 [0,2,0,0,0,0|1,1,0]=4 1469 B17R2.6 CSCC(=O)NCc1c[nH]c2c1cccc2 527a_100015202335_100000184570 [0,2,0,0,0,0|1,1,0]=4 1470 B17R2.6 N#CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100000211458_100011214920 [0,2,0,0,0,0|1,0,0]=3 1471 B17R2.6 N#CCC(=O)CCc1c[nH]c2c1cccc2 1458a_100051588842_100011218569 [0,2,0,0,0,0|1,0,0]=3 1472 B17R2.6 N#CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100051588842_100009895007 [0,2,0,0,0,0|2,0,0]=4 1473 B17R2.6 N#CCC(=O)CCc1c[nH]c2c1cccn2 1458a_100102525369_100011214920 [0,2,0,0,0,0|2,0,0]=4 1474 B17R2.6 N#CCC(=O)NCc1c[nH]c2c1cccc2 240690a_100015202335_100051588842 [0,2,0,0,0,0|2,0,0]=4 1475 B17R2.6 O=C(C=CBr)CCc1c[nH]c2c1cccc2 1458a_100016273825_100011218569 [0,2,0,0,0,0|1,0,0]=3 1476 B17R2.6 O=C(C=CBr)CCc1c[nH]c2c1cccn2 1458a_100016273825_100009895007 [0,2,0,0,0,0|2,0,0]=4 1477 B17R2.6 O=C(C=CBr)NCc1c[nH]c2c1cccc2 240690a_100015202335_100016273825 [0,2,0,0,0,0|2,0,0]=4 1478 B17R2.6 O=C(C=CCl)CCc1c[nH]c2c1cccc2 1458a_200016279998_100011218569 [0,2,0,0,0,0|1,0,0]=3 1479 B17R2.6 O=C(C=CCl)CCc1c[nH]c2c1cccn2 1458a_200016279998_100009895007 [0,2,0,0,0,0|2,0,0]=4 1480 B17R2.6 O=C(C=CCl)NCc1c[nH]c2c1cccc2 240690a_100015202335_200016279998 [0,2,0,0,0,0|2,0,0]=4 1481 B17R2.6 O=C(C=CI)CCc1c[nH]c2c1cccc2 1458a_100016256311_100011218569 [0,2,0,0,0,0|1,0,0]=3 1482 B17R2.6 O=C(C=CI)CCc1c[nH]c2c1cccn2 1458a_100016256311_100009895007 [0,2,0,0,0,0|2,0,0]=4 1483 B17R2.6 O=C(C=Cc1c[nH]c2c1cccc2)CCO 1458a_100016263948_100000211926 [0,2,0,0,0,0|0,0,2]=4 1484 B17R2.6 O=C(CCF)CCc1c[nH]c2c1cccc2 1458a_100000211458_100011217306 [0,2,0,0,0,0|1,0,0]=3 1485 B17R2.6 O=C(CCF)CCc1c[nH]c2c1cccn2 1458a_100102525369_100011217306 [0,2,0,0,0,0|2,0,0]=4 1486 B17R2.6 O=C(CCO)CCc1c[nH]c2c1cccc2 1458a_100000211458_100000211926 [0,2,0,0,0,0|0,0,0]=2 1487 B17R2.6 O=C(CCO)CCc1c[nH]c2c1cccc2 1458a_100011216618_100011218569 [0,2,0,0,0,0|0,0,0]=2 1488 B17R2.6 O=C(CCO)CCc1c[nH]c2c1cccn2 1458a_100011216618_100009895007 [0,2,0,0,0,0|1,0,0]=3 1489 B17R2.6 O=C(CCO)CCc1c[nH]c2c1cccn2 1458a_100102525369_100000211926 [0,2,0,0,0,0|1,0,0]=3 1490 B17R2.6 O=C(CCO)CCn1ccc2c1cccc2 1458a_100000186764_100000211926 [0,2,0,0,0,0|2,0,0]=4 1491 B17R2.6 O=C(CCO)CCn1cnc2c1cccc2 1458a_100000177575_100000211926 [0,2,0,0,0,0|1,0,1]=4 1492 B17R2.6 O=C(CCO)NCc1c[nH]c2c1cccc2 240690a_100015202335_100011216618 [0,2,0,0,0,0|1,0,0]=3 1493 B17R2.6 O=C(CCO)NCc1csc2c1cccc2 240690a_100000744611_100011216618 [0,2,0,0,0,0|2,0,0]=4 1494 B17R2.6 O=C(COc1csc2c1cccc2)NCO 34a_100000077758_100000185155 [0,2,0,0,0,0|2,0,0]=4 1495 B17R2.6 O=C(COc1csc2c1cccc2)NCO 7a_100000077758_100000185155 [0,2,0,0,0,0|2,0,0]=4 1496 B17R2.6 O=C(CSc1c[nH]c2c1cccn2)NCO 62a_100000185155_100011934613 [0,2,0,0,0,0|2,0,0]=4 1497 B17R2.6 O=C(CSc1c[nH]c2c1ccnc2)NCO 62a_100000185155_100010232032 [0,2,0,0,0,0|2,0,0]=4 1498 B17R2.6 O=C(CSc1c[nH]c2c1cncc2)NCO 62a_100000185155_100000753697 [0,2,0,0,0,0|2,0,0]=4 1499 B17R2.6 O=C(CSc1c[nH]c2c1nccc2)NCO 62a_100000185155_100009817151 [0,2,0,0,0,0|2,0,0]=4 1500 B17R2.6 O=C(CSc1coc2c1cccc2)NCO 62a_100000185155_100009812202 [0,2,0,0,0,0|2,0,0]=4 1501 B17R2.6 O=C(CSc1csc2c1cccc2)NCO 62a_100000185155_100009813928 [0,2,0,0,0,0|2,0,0]=4 1502 B17R2.6 O=C(CSc1n[nH]c2c1cccc2)NCO 62a_100000185155_100000050141 [0,2,0,0,0,0|2,0,0]=4 1503 B17R2.6 [13CH3]N(CCO)CCc1c[nH]c2c1cccc2 2230a_200009996482_200025704644 [0,2,0,0,0,0|2,0,0]=4 1504 B17R2.6 [13CH3]N(CCO)CCc1c[nH]c2c1cccc2 269982a_200009996482_200025704644 [0,2,0,0,0,0|2,0,0]=4 1505 B17R2.693 C#CC(=O)CC(=O)c1c[nH]c2c1cccc2 1458a_100000211873_100000183220 [0,2,0,0,0,0|1,0,1]=4 1506 B17R2.693 C=CC(=O)CC(=O)c1c[nH]c2c1cccc2 1458a_100000185746_100000183220 [0,2,0,0,0,0|1,0,1]=4 1507 B17R2.693 CCC(=O)CC(=O)c1c[nH]c2c1cccc2 1458a_100000210414_100000183220 [0,2,0,0,0,0|1,0,1]=4 1508 B17R2.693 COC(=O)CC(=O)C1=CCc2c1cccc2 1458a_100000037392_100000747449 [0,2,0,0,0,0|1,0,1]=4 1509 B17R2.693 O=C(CO)CC(=O)c1c[nH]c2c1cccc2 1458a_100000210174_100000183220 [0,2,0,0,0,0|0,0,1]=3 1510 B17R2.693 O=C(CO)CC(=O)c1coc2c1cccc2 1458a_100000210174_100000233777 [0,2,0,0,0,0|1,0,1]=4 1511 B17R2.693 O=C(CO)CC(=O)c1csc2c1cccc2 1458a_100000210174_100000689783 [0,2,0,0,0,0|1,0,1]=4 1512 B17R2.2442 COC(=O)CSc1c[nH]c2c1nccc2Cl 62a_100000747449_100010168581 [0,2,0,0,0,0|2,0,0]=4 1513 B17R2.2442 COC(=O)CSc1n[nH]c2c1cccc2Br 62a_100000747449_100010197283 [0,2,0,0,0,0|2,0,0]=4 1514 B17R2.2442 COC(=O)CSc1n[nH]c2c1cccc2C 62a_100000747449_100010186057 [0,2,0,0,0,0|2,0,0]=4 1515 B17R2.2442 COC(=O)CSc1n[nH]c2c1cccc2Cl 62a_100000747449_100000050086 [0,2,0,0,0,0|2,0,0]=4 1516 B17R2.2442 COC(=O)CSc1n[nH]c2c1cccc2F 62a_100000747449_100010231504 [0,2,0,0,0,0|2,0,0]=4 1517 B17R2.2442 COC(=O)CSc1n[nH]c2c1cccc2N 62a_100000747449_100009888981 [0,2,0,0,0,0|2,0,0]=4 1518 B17R2.2442 COC(=O)CSc1n[nH]c2c1cccc2O 62a_100000747449_200010988877 [0,2,0,0,0,0|2,0,0]=4 1519 B17R2.57589 COC(=O)CSc1c[nH]c2c1ccc(n2)Cl 62a_100000747449_100010168512 [0,2,0,0,0,0|2,0,0]=4 1520 B17R2.57589 COC(=O)CSc1c[nH]c2c1ccc(n2)F 62a_100000747449_100010168364 [0,2,0,0,0,0|2,0,0]=4 1521 B17R2.57589 COC(=O)CSc1c[nH]c2c1cnc(c2)Br 62a_100000747449_100010206817 [0,2,0,0,0,0|2,0,0]=4 1522 B17R2.57589 COC(=O)CSc1c[nH]c2c1cnc(c2)Br 62a_100010206817_100000747449 [0,2,0,0,0,0|2,0,0]=4 1523 B17R2.57589 COC(=O)CSc1c[nH]c2c1cnc(c2)Cl 62a_100000747449_100010206812 [0,2,0,0,0,0|2,0,0]=4 1524 B17R2.57589 COC(=O)CSc1c[nH]c2c1ncc(c2)Br 62a_100000747449_100010208019 [0,2,0,0,0,0|2,0,0]=4 1525 B17R2.57589 COC(=O)CSc1c[nH]c2c1ncc(c2)Br 62a_100010208019_100000747449 [0,2,0,0,0,0|2,0,0]=4 1526 B17R2.57589 COC(=O)CSc1n[nH]c2c1ccc(c2)Br 62a_100000747449_100010186045 [0,2,0,0,0,0|2,0,0]=4 1527 B17R2.57589 COC(=O)CSc1n[nH]c2c1ccc(c2)Br 62a_100010186045_100000747449 [0,2,0,0,0,0|2,0,0]=4 1528 B17R2.57589 COC(=O)CSc1n[nH]c2c1ccc(c2)C 62a_100000747449_100000049534 [0,2,0,0,0,0|2,0,0]=4 1529 B17R2.57589 COC(=O)CSc1n[nH]c2c1ccc(c2)Cl 62a_100000747449_100000049627 [0,2,0,0,0,0|2,0,0]=4 1530 B17R2.57589 COC(=O)CSc1n[nH]c2c1ccc(c2)F 62a_100000747449_100000049990 [0,2,0,0,0,0|2,0,0]=4 1531 B17R2.57589 COC(=O)CSc1n[nH]c2c1ccc(c2)N 62a_100000747449_100009816878 [0,2,0,0,0,0|2,0,0]=4 1532 B17R2.61029 C#CC(=O)CCn1c(=O)[nH]c2c1cccc2 1458a_100000211873_203549783246 [0,2,0,0,0,0|2,0,0]=4 1533 B17R2.61029 C=CC(=O)CCn1c(=O)[nH]c2c1cccc2 1458a_100000185746_203549783246 [0,2,0,0,0,0|2,0,0]=4 1534 B17R2.61029 CCC(=O)CCn1c(=O)[nH]c2c1cccc2 1458a_100000210414_203549783246 [0,2,0,0,0,0|2,0,0]=4 1535 B17R2.61029 CNC(=O)CCC1C(=O)Nc2c1cccc2 240690a_100102657272_100000721785 [0,2,0,0,0,0|1,0,1]=4 1536 B17R2.61029 CNC(=O)CCC1C(=O)Nc2c1cccc2 527a_100102657272_100000721785 [0,2,0,0,0,0|1,0,1]=4 1537 B17R2.61029 COC(=O)CSC1C(=O)Nc2c1cccc2 62a_100000747449_200009996675 [0,2,0,0,0,0|1,0,1]=4 1538 B17R2.61029 COC(=O)CSc1c([nH]c2c1cccn2)C 62a_100000747449_100010174266 [0,2,0,0,0,0|2,0,0]=4 1539 B17R2.61029 COC(=O)CSc1c(oc2c1cccc2)C 62a_100000747449_200010236113 [0,2,0,0,0,0|2,0,0]=4 1540 B17R2.61029 COC(=O)CSc1c(sc2c1cccc2)C 62a_100000747449_100010002616 [0,2,0,0,0,0|2,0,0]=4 1541 B17R2.61029 COC(=O)CSc1c(sc2c1cccc2)C 62a_100010002616_100000747449 [0,2,0,0,0,0|2,0,0]=4 1542 B17R2.61029 O=C(CO)CCn1c(=O)[nH]c2c1cccc2 1458a_100000210174_203549783246 [0,2,0,0,0,0|1,0,0]=3 1543 B17R2.87547 C=CC(=O)NCc1cn(c2c1cccc2)C 1626a_100011997738_100000185746 [0,2,0,0,0,0|2,0,0]=4 1544 B17R2.87547 C=CC(=O)NCc1cn(c2c1cccc2)C 240690a_100011997738_200121576911 [0,2,0,0,0,0|2,0,0]=4 1545 B17R2.87547 CCC(=O)CCc1cn(c2c1cccc2)C 1458a_100000686839_100000210202 [0,2,0,0,0,0|1,0,0]=3 1546 B17R2.87547 CCC(=O)NCc1cn(c2c1cccc2)C 11a_100011997738_100000210414 [0,2,0,0,0,0|2,0,0]=4 1547 B17R2.87547 CCC(=O)NCc1cn(c2c1cccc2)C 1626a_100011997738_100000210414 [0,2,0,0,0,0|2,0,0]=4 1548 B17R2.87547 CCC(=O)NCc1cn(c2c1cccc2)C 240690a_100011997738_100000210414 [0,2,0,0,0,0|2,0,0]=4 1549 B17R2.87547 CCC(=O)NCc1cn(c2c1cccc2)C 527a_100011997738_100000210414 [0,2,0,0,0,0|2,0,0]=4 1550 B17R2.87547 CNC(=O)CCc1cn(c2c1cccc2)C 11a_106832991635_100000686839 [0,2,0,0,0,0|1,0,0]=3 1551 B17R2.87547 CNC(=O)CCc1cn(c2c1cccc2)C 1626a_100102657272_100000686839 [0,2,0,0,0,0|1,0,0]=3 1552 B17R2.87547 CNC(=O)CCc1cn(c2c1cccc2)C 240690a_100102657272_100000686839 [0,2,0,0,0,0|1,0,0]=3 1553 B17R2.87547 CNC(=O)CCc1cn(c2c1cccc2)C 527a_100102657272_100000686839 [0,2,0,0,0,0|1,0,0]=3 1554 B17R2.87547 CNC(=O)NCc1cn(c2c1cccc2)C 2708a_100011997738_106832991635 [0,2,0,0,0,0|2,0,0]=4 1555 B17R2.87547 CNC(=O)NCc1cn(c2c1cccc2)C 2708a_100102657272_100011997738 [0,2,0,0,0,0|2,0,0]=4 1556 B17R2.87547 CNC(=O)NCc1cn(c2c1cccc2)C 273464a_100011997738_100102657272 [0,2,0,0,0,0|2,0,0]=4 1557 B17R2.87547 CNC(=O)NCc1cn(c2c1cccc2)C 273464a_100102657272_100011997738 [0,2,0,0,0,0|2,0,0]=4 1558 B17R2.87547 CNC(=O)NCc1cn(c2c1cccc2)C 512a_100011997738_100102657272 [0,2,0,0,0,0|2,0,0]=4 1559 B17R2.87547 CNC(=O)NCc1cn(c2c1cccc2)C 512a_106832991638_100011997738 [0,2,0,0,0,0|2,0,0]=4 1560 B17R2.87547 COC(=O)CSc1cn(c2c1cccn2)C 62a_100000747449_100010205794 [0,2,0,0,0,0|2,0,0]=4 1561 B17R2.87547 COC(=O)CSc1nn(c2c1cccc2)C 62a_100000747449_100009817141 [0,2,0,0,0,0|2,0,0]=4 1562 B17R2.87547 COC(=O)CSc1nn(c2c1cccc2)C 62a_100009817141_100000747449 [0,2,0,0,0,0|2,0,0]=4 1563 B17R2.87547 Cn1cc(c2c1cccc2)CCC(=O)CF 1458a_100000686839_100015361967 [0,2,0,0,0,0|1,0,0]=3 1564 B17R2.87547 Cn1cc(c2c1cccc2)CNC(=O)CO 240690a_100011997738_100000210174 [0,2,0,0,0,0|1,0,0]=3 1565 B17R2.87547 Cn1cc(c2c1cccc2)CNC(=O)CO 527a_100011997738_100000210174 [0,2,0,0,0,0|1,0,0]=3 1566 B17R2.87547 Cn1nc(c2c1cccc2)CNC(=O)CO 240690a_200011934655_100000210174 [0,2,0,0,0,0|2,0,0]=4 1567 B17R2.87547 Cn1nc(c2c1cccc2)CNC(=O)CO 527a_200011934655_100000210174 [0,2,0,0,0,0|2,0,0]=4 1568 B17R2.376007 CCC(=O)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_100000210202 [0,2,0,0,0,0|1,0,0]=3 1569 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 11a_106832991635_100009828173 [0,2,0,0,0,0|1,0,0]=3 1570 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 240690a_100102657272_100009828173 [0,2,0,0,0,0|1,0,0]=3 1571 B17R2.376007 CNC(=O)CCc1c[nH]c2c1cc(cc2)Br 527a_100102657272_100009828173 [0,2,0,0,0,0|1,0,0]=3 1572 B17R2.376007 COC(=O)CCc1c[nH]c2c1cc(cc2)O 271570a_203496583355_100010888593 [0,2,0,0,0,0|0,0,0]=2 1573 B17R2.376007 COC(=O)CSc1c[nH]c2c1cc(cn2)Br 62a_100000747449_100011290788 [0,2,0,0,0,0|2,0,0]=4 1574 B17R2.376007 COC(=O)CSc1c[nH]c2c1cc(cn2)Br 62a_100011290788_100000747449 [0,2,0,0,0,0|2,0,0]=4 1575 B17R2.376007 COC(=O)CSc1c[nH]c2c1cc(cn2)C 62a_100000747449_100010246215 [0,2,0,0,0,0|2,0,0]=4 1576 B17R2.376007 COC(=O)CSc1c[nH]c2c1cc(cn2)Cl 62a_100000747449_100000050100 [0,2,0,0,0,0|2,0,0]=4 1577 B17R2.376007 COC(=O)CSc1c[nH]c2c1cc(cn2)F 62a_100000747449_100010168383 [0,2,0,0,0,0|2,0,0]=4 1578 B17R2.376007 COC(=O)CSc1c[nH]c2c1cc(cn2)N 62a_100000747449_100010168510 [0,2,0,0,0,0|2,0,0]=4 1579 B17R2.376007 COC(=O)CSc1c[nH]c2c1cc(nc2)Cl 62a_100000747449_100010168685 [0,2,0,0,0,0|2,0,0]=4 1580 B17R2.376007 COC(=O)CSc1c[nH]c2c1nc(cc2)Br 62a_100000747449_100010168532 [0,2,0,0,0,0|2,0,0]=4 1581 B17R2.376007 COC(=O)CSc1c[nH]c2c1nc(cc2)Br 62a_100010168532_100000747449 [0,2,0,0,0,0|2,0,0]=4 1582 B17R2.376007 COC(=O)CSc1c[nH]c2c1nc(cc2)C 62a_100000747449_100010212567 [0,2,0,0,0,0|2,0,0]=4 1583 B17R2.376007 COC(=O)CSc1c[nH]c2c1nc(cc2)Cl 62a_100000747449_100010168529 [0,2,0,0,0,0|2,0,0]=4 1584 B17R2.376007 COC(=O)CSc1csc2c1cc(cc2)N 62a_100000747449_100011178648 [0,2,0,0,0,0|2,0,0]=4 1585 B17R2.376007 COC(=O)CSc1csc2c1cc(cc2)N 62a_100011178648_100000747449 [0,2,0,0,0,0|2,0,0]=4 1586 B17R2.376007 COC(=O)CSc1n[nH]c2c1cc(cc2)Br 62a_100000747449_100010186058 [0,2,0,0,0,0|2,0,0]=4 1587 B17R2.376007 COC(=O)CSc1n[nH]c2c1cc(cc2)C 62a_100000747449_100000123028 [0,2,0,0,0,0|2,0,0]=4 1588 B17R2.376007 COC(=O)CSc1n[nH]c2c1cc(cc2)Cl 62a_100000747449_100010174404 [0,2,0,0,0,0|2,0,0]=4 1589 B17R2.376007 COC(=O)CSc1n[nH]c2c1cc(cc2)F 62a_100000747449_100011934747 [0,2,0,0,0,0|2,0,0]=4 1590 B17R2.376007 COC(=O)CSc1n[nH]c2c1cc(cc2)N 62a_100000747449_100012353729 [0,2,0,0,0,0|2,0,0]=4 1591 B17R2.376007 O=C(CF)CCc1c[nH]c2c1cc(cc2)Br 1458a_100009828173_100015361967 [0,2,0,0,0,0|1,0,0]=3 1592 B17R2.376041 COC(=O)CSc1c[nH]c2c1c(ccn2)Br 62a_100000747449_100010212587 [0,2,0,0,0,0|2,0,0]=4 1593 B17R2.376041 COC(=O)CSc1c[nH]c2c1c(ccn2)Br 62a_100010212587_100000747449 [0,2,0,0,0,0|2,0,0]=4 1594 B17R2.376041 COC(=O)CSc1c[nH]c2c1c(ccn2)Cl 62a_100000747449_100011356983 [0,2,0,0,0,0|2,0,0]=4 1595 B17R2.376041 COC(=O)CSc1c[nH]c2c1c(ccn2)F 62a_100000747449_100010168365 [0,2,0,0,0,0|2,0,0]=4 1596 B17R2.376041 COC(=O)CSc1n[nH]c2c1c(ccc2)Br 62a_100000747449_100010186043 [0,2,0,0,0,0|2,0,0]=4 1597 B17R2.376041 COC(=O)CSc1n[nH]c2c1c(ccc2)C 62a_100000747449_100000049903 [0,2,0,0,0,0|2,0,0]=4 1598 B17R2.376041 COC(=O)CSc1n[nH]c2c1c(ccc2)Cl 62a_100000747449_100000049730 [0,2,0,0,0,0|2,0,0]=4 1599 B17R2.376041 COC(=O)CSc1n[nH]c2c1c(ccc2)F 62a_100000747449_100000049989 [0,2,0,0,0,0|2,0,0]=4 1600 B17R2.376041 COC(=O)CSc1n[nH]c2c1c(ccc2)N 62a_100000747449_100010186038 [0,2,0,0,0,0|2,0,0]=4 1601 B17R2.5002 CC(=O)CC(=O)c1c([nH]c2c1cccc2)C 1458a_100000070787_100000182688 [0,2,0,0,0,0|1,0,1]=4 1602 B17R2.5002 CN(CC(=O)O)C1C(=O)Nc2c1cccc2 269956a_100000746989_200009996675 [0,2,0,0,0,0|1,0,1]=4 1603 B17R2.25460 CC(=O)CC(=O)c1c[nH]c2c1cc(cc2)Br 1458a_100000070787_100011264338 [0,2,0,0,0,0|1,0,1]=4 1604 B17R2.25460 CC(=O)CC(=O)c1c[nH]c2c1cc(cc2)Cl 1458a_100000070787_200011936983 [0,2,0,0,0,0|1,0,1]=4 1605 B17R2.2764 COc1ccc2c(c[nH]c2c1)CNC(=O)C 11a_100000084036_100015343762 [0,2,0,0,0,0|2,0,0]=4 1606 B17R2.2764 COc1ccc2c(c[nH]c2c1)CNC(=O)C 240690a_100000084036_100015343762 [0,2,0,0,0,0|2,0,0]=4 1607 B17R2.2764 COc1ccc2c(c[nH]c2c1)CNC(=O)C 527a_100000084036_100103153847 [0,2,0,0,0,0|2,0,0]=4 1608 B17R2.2764 N#Cc1ccc2c(c[nH]c2c1)SCC(=O)N 62a_100000747473_200014310816 [0,2,0,0,0,0|2,0,0]=4 1609 B17R2.2764 N#Cc1ccc2c(c[nH]c2c1)SCC(=O)[O-] 62a_100020667443_200014310816 [0,2,0,0,0,0|1,0,1]=4 1610 B17R2.2764 NC(=O)CSc1c[nH]c2c1ccc(c2)C=O 62a_100000747473_200010296436 [0,2,0,0,0,0|2,0,0]=4 1611 B17R2.2764 O=Cc1ccc2c(c[nH]c2c1)SCC(=O)[O-] 62a_100020667443_200010296436 [0,2,0,0,0,0|1,0,1]=4 1612 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)C 1458a_100010000191_200000210301 [0,2,0,0,0,0|1,0,0]=3 1613 B17R2.73242 COc1ccc2[nH]cc(c2c1)CCC(=O)[13CH3] 1458a_100010000191_200025704644 [0,2,0,0,0,0|1,0,0]=3 1614 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 11a_100000084035_100015343762 [0,2,0,0,0,0|2,0,0]=4 1615 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 240690a_100000084035_100015343762 [0,2,0,0,0,0|2,0,0]=4 1616 B17R2.73242 COc1ccc2[nH]cc(c2c1)CNC(=O)C 527a_100000084035_100103153847 [0,2,0,0,0,0|2,0,0]=4 1617 B17R2.63388 N#Cc1cccc2c1c(c[nH]2)SCC(=O)N 62a_100000747473_100012350721 [0,2,0,0,0,0|2,0,0]=4 1618 B17R2.63388 N#Cc1cccc2c1c(c[nH]2)SCC(=O)[O-] 62a_100020667443_100012350721 [0,2,0,0,0,0|1,0,1]=4 1619 B15R2.2189 CNc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100020606079 [0,0,1,1,0,0|1,0,1]=4 1620 B15R2.2189 NNc1ccccc1C2=CC(=O)CC2 271570a_100010737933_100000241748 [0,0,1,1,0,0|2,0,0]=4 1621 B15R2.308 Nc1ccccc1C2=CCC(CC2)O 271570a_100010254553_100000210017 [0,0,1,1,0,0|1,0,1]=4 1622 B15R2.1660 CC(=O)CCc1cn2ccccc2n1 1458a_200011935298_200000210301 [0,0,1,1,0,0|2,0,0]=4 1623 B15R2.1660 [13CH3]C(=O)CCc1cn2ccccc2n1 1458a_200011935298_200025704644 [0,0,1,1,0,0|2,0,0]=4 1624 B15R2.19753 NC(=O)CSc1cccc2c1[nH]cc2 62a_100000747473_100009813418 [0,0,1,1,0,0|2,0,0]=4 1625 B15R2.19753 O=C([O-])CSc1cccc2c1[nH]cc2 62a_100020667443_100009813418 [0,0,1,1,0,0|1,0,1]=4 1626 B17R3.26 O=C1C=C(CC1)c2c[nH]c3c2cccn3 271570a_100010737933_100011934613 [0,0,0,1,0,1|2,0,0]=4 1627 B17R3.26 O=C1C=C(CC1)c2c[nH]c3c2ccnc3 271570a_100010737933_100010232032 [0,0,0,1,0,1|2,0,0]=4 1628 B17R3.26 O=C1C=C(CC1)c2c[nH]c3c2cncc3 271570a_100010737933_100011934843 [0,0,0,1,0,1|2,0,0]=4 1629 B17R3.26 O=C1C=C(CC1)c2c[nH]c3c2nccc3 271570a_100010737933_100009817151 [0,0,0,1,0,1|2,0,0]=4 1630 B17R3.26 O=C1C=C(CC1)c2coc3c2cccc3 271570a_100010737933_100009812202 [0,0,0,1,0,1|2,0,0]=4 1631 B17R3.26 O=C1C=C(CC1)c2csc3c2cccc3 271570a_100010737933_100009813928 [0,0,0,1,0,1|2,0,0]=4 1632 B17R3.26 O=C1C=C(CC1)c2n[nH]c3c2cccc3 271570a_100010737933_100000050141 [0,0,0,1,0,1|2,0,0]=4 1633 B17R3.3334 O=C1CC(C1)Sc2c[nH]c3c2cccn3 62a_100009894365_100011934613 [0,0,0,1,0,1|2,0,0]=4 1634 B17R3.3334 O=C1CC(C1)Sc2c[nH]c3c2ccnc3 62a_100009894365_100010232032 [0,0,0,1,0,1|2,0,0]=4 1635 B17R3.3334 O=C1CC(C1)Sc2c[nH]c3c2cncc3 62a_100009894365_100000753697 [0,0,0,1,0,1|2,0,0]=4 1636 B17R3.3334 O=C1CC(C1)Sc2c[nH]c3c2nccc3 62a_100009894365_100009817151 [0,0,0,1,0,1|2,0,0]=4 1637 B17R3.3334 O=C1CC(C1)Sc2coc3c2cccc3 62a_100009894365_100009812202 [0,0,0,1,0,1|2,0,0]=4 1638 B17R3.3334 O=C1CC(C1)Sc2csc3c2cccc3 62a_100009894365_100009813928 [0,0,0,1,0,1|2,0,0]=4 1639 B17R3.3334 O=C1CC(C1)Sc2n[nH]c3c2cccc3 62a_100009894365_100000050141 [0,0,0,1,0,1|2,0,0]=4 1640 B13R1.90 C=Cc1ccccc1CCC(=O)N 271570a_100011290941_100009814947 [0,0,1,0,1,0|2,0,0]=4 1641 B13R1.337 CC(=O)CCCNc1ccccc1 34a_100000106764_100000685027 [0,0,1,0,1,0|1,0,1]=4 1642 B13R1.337 CC(=O)NC/C=C/c1ccccc1 11a_100020603302_100015343762 [0,0,1,0,1,0|2,0,0]=4 1643 B13R1.337 CC(=O)NC/C=C/c1ccccc1 1626a_100020603302_100015343762 [0,0,1,0,1,0|2,0,0]=4 1644 B13R1.337 CC(=O)NC/C=C/c1ccccc1 240690a_100020603302_100015343762 [0,0,1,0,1,0|2,0,0]=4 1645 B13R1.337 CC(=O)NC/C=C/c1ccccc1 527a_100020603302_100103153847 [0,0,1,0,1,0|2,0,0]=4 1646 B13R1.337 CC(=O)OCC=Cc1ccccc1 271570a_200000047263_100000210277 [0,0,1,0,1,0|2,0,0]=4 1647 B13R1.337 NC(=O)CCCNc1ccccc1 34a_100000106764_100102525003 [0,0,1,0,1,0|1,0,1]=4 1648 B13R2.72 CC(=O)C1=CCc2c1cccc2 1458a_100000037392_200000210301 [0,0,0,0,2,0|2,0,0]=4 1649 B13R2.72 [13CH3]C(=O)C1=CCc2c1cccc2 1458a_100000037392_200025704644 [0,0,0,0,2,0|2,0,0]=4 1650 B15R1.8019 Cc1ccccc1C(=O)CNCC(=O)O 269956a_100016091260_100000741374 [0,0,1,0,0,1|2,0,0]=4 1651 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1Br 269956a_100016091260_100000199116 [0,0,1,0,0,1|2,0,0]=4 1652 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1Cl 269956a_100016091260_100000211432 [0,0,1,0,0,1|2,0,0]=4 1653 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1F 269956a_100016091260_100000204681 [0,0,1,0,0,1|2,0,0]=4 1654 B15R1.8019 O=C(O)CNCC(=O)c1ccccc1O 269956a_100016091260_100000188908 [0,0,1,0,0,1|2,0,0]=4 1655 B15R2.352 O=CCNc1ccc2ccccc2c1 34a_100000211940_200009817547 [1,0,0,0,0,1|2,0,0]=4 1656 B15R2.352 O=CCNc1ccc2ccccc2c1 7a_100000211940_200015260668 [1,0,0,0,0,1|2,0,0]=4 1657 B15R2.352 O=CCOc1ccc2ccccc2c1 34a_100000185828_200009817547 [1,0,0,0,0,1|2,0,0]=4 1658 B15R2.352 O=CCOc1ccc2ccccc2c1 7a_100000185828_200015260668 [1,0,0,0,0,1|2,0,0]=4 1659 B15R2.352 O=CCOc1cnc2ccccc2c1 34a_100011934006_200009817547 [1,0,0,0,0,1|1,0,1]=4 1660 B15R2.352 O=CCOc1cnc2ccccc2c1 7a_100011934006_200015260668 [1,0,0,0,0,1|1,0,1]=4 1661 B15R2.352 O=CCSc1ccc2ccccc2c1 62a_200015260668_100000233703 [1,0,0,0,0,1|2,0,0]=4 1662 B15R2.352 O=CCSc1ccc2ccccc2n1 62a_100011291633_200015260668 [1,0,0,0,0,1|2,0,0]=4 1663 B15R2.352 O=CCSc1ccc2ccccc2n1 62a_200015260668_100011291633 [1,0,0,0,0,1|2,0,0]=4 1664 B15R2.352 O=CCSc1cnc2ccccc2c1 62a_200015260668_100000737414 [1,0,0,0,0,1|1,0,1]=4 1665 B15R2.352 O=CCSc1cnc2ccccc2n1 62a_100000756483_200015260668 [1,0,0,0,0,1|1,0,1]=4 1666 B15R2.352 O=CCSc1cnc2ccccc2n1 62a_200015260668_100000756483 [1,0,0,0,0,1|1,0,1]=4 1667 B15R2.18471 O=CCNc1cccc2c1cccc2 34a_100000185869_200009817547 [1,0,0,0,0,1|2,0,0]=4 1668 B15R2.18471 O=CCOc1cccc2c1cccc2 34a_100000210388_200009817547 [1,0,0,0,0,1|2,0,0]=4 1669 B15R2.18471 O=CCOc1cccc2c1cccc2 7a_100000210388_200015260668 [1,0,0,0,0,1|2,0,0]=4 1670 B15R2.18471 O=CCOc1cncc2c1cccc2 34a_100000066178_200009817547 [1,0,0,0,0,1|1,0,1]=4 1671 B15R2.18471 O=CCOc1cncc2c1cccc2 7a_100000066178_200015260668 [1,0,0,0,0,1|1,0,1]=4 1672 B15R2.18471 O=CCOc1nccc2c1cccc2 34a_102531767632_200009817547 [1,0,0,0,0,1|2,0,0]=4 1673 B15R2.18471 O=CCSc1cccc2c1cccc2 62a_200015260668_100000210605 [1,0,0,0,0,1|2,0,0]=4 1674 B15R2.18471 O=CCSc1ccnc2c1cccc2 62a_100011458314_200015260668 [1,0,0,0,0,1|1,0,1]=4 1675 B15R2.18471 O=CCSc1ccnc2c1cccc2 62a_200015260668_100011215880 [1,0,0,0,0,1|1,0,1]=4 1676 B15R2.18471 O=CCSc1cncc2c1cccc2 62a_100000187577_200015260668 [1,0,0,0,0,1|1,0,1]=4 1677 B15R2.18471 O=CCSc1cncc2c1cccc2 62a_200015260668_100000187577 [1,0,0,0,0,1|1,0,1]=4 1678 B15R2.18471 O=CCSc1cnnc2c1cccc2 62a_200015260668_100000063506 [1,0,0,0,0,1|1,0,1]=4 1679 B15R2.18471 O=CCSc1nccc2c1cccc2 62a_100011934041_200015260668 [1,0,0,0,0,1|2,0,0]=4 1680 B15R2.18471 O=CCSc1nccc2c1cccc2 62a_200015260668_100011934041 [1,0,0,0,0,1|2,0,0]=4 1681 B15R2.18471 O=CCSc1ncnc2c1cccc2 62a_100000753007_200015260668 [1,0,0,0,0,1|1,0,1]=4 1682 B15R2.18471 O=CCSc1ncnc2c1cccc2 62a_200015260668_100000217608 [1,0,0,0,0,1|1,0,1]=4 1683 B17R2.137 C=C(C)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000748629 [0,0,0,0,0,2|2,0,0]=4 1684 B17R2.137 C=C(C)COCCc1c[nH]c2c1cccc2 34a_100000210245_100011218569 [0,0,0,0,0,2|2,0,0]=4 1685 B17R2.137 C=C(C)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000748629 [0,0,0,0,0,2|2,0,0]=4 1686 B17R2.137 C=C(C)CSCCc1c[nH]c2c1cccc2 62a_100000748629_100011218569 [0,0,0,0,0,2|2,0,0]=4 1687 B17R2.137 C=C(F)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100009893438 [0,0,0,0,0,2|2,0,0]=4 1688 B17R2.137 C=C(F)COCCc1c[nH]c2c1cccc2 34a_100000752351_100009893438 [0,0,0,0,0,2|2,0,0]=4 1689 B17R2.137 C=C(F)COCCc1c[nH]c2c1cccc2 34a_200010262243_100011218569 [0,0,0,0,0,2|2,0,0]=4 1690 B17R2.137 C=C(F)CSCCc1c[nH]c2c1cccc2 62a_100000042424_100011218569 [0,0,0,0,0,2|2,0,0]=4 1691 B17R2.137 CC(=O)CCCOc1csc2c1cccc2 34a_100000077758_100000685027 [0,0,0,0,0,2|2,0,0]=4 1692 B17R2.137 CC(=O)CCCOc1csc2c1cccc2 7a_100000077758_100011215641 [0,0,0,0,0,2|2,0,0]=4 1693 B17R2.137 CC(=O)CCCSc1c[nH]c2c1cccn2 62a_100011215641_100011934613 [0,0,0,0,0,2|2,0,0]=4 1694 B17R2.137 CC(=O)CCCSc1c[nH]c2c1ccnc2 62a_100011215641_100010232032 [0,0,0,0,0,2|2,0,0]=4 1695 B17R2.137 CC(=O)CCCSc1c[nH]c2c1cncc2 62a_100011215641_100000753697 [0,0,0,0,0,2|2,0,0]=4 1696 B17R2.137 CC(=O)CCCSc1c[nH]c2c1nccc2 62a_100011215641_100009817151 [0,0,0,0,0,2|2,0,0]=4 1697 B17R2.137 CC(=O)CCCSc1coc2c1cccc2 62a_100011215641_100009812202 [0,0,0,0,0,2|2,0,0]=4 1698 B17R2.137 CC(=O)CCCSc1csc2c1cccc2 62a_100011215641_100009813928 [0,0,0,0,0,2|2,0,0]=4 1699 B17R2.137 CC(=O)CCCSc1n[nH]c2c1cccc2 62a_100011215641_100000050141 [0,0,0,0,0,2|2,0,0]=4 1700 B17R2.137 CC(=O)CCOCc1csc2c1cccc2 34a_100000759926_200000742921 [0,0,0,0,0,2|2,0,0]=4 1701 B17R2.137 CC(=O)CCSCc1csc2c1cccc2 62a_100000053229_200000742921 [0,0,0,0,0,2|2,0,0]=4 1702 B17R2.137 CC(=O)CCSCc1csc2c1cccc2 62a_200000742921_100000053229 [0,0,0,0,0,2|2,0,0]=4 1703 B17R2.137 CC(=O)COCCc1c[nH]c2c1cccc2 34a_100000211253_100011218569 [0,0,0,0,0,2|1,0,0]=3 1704 B17R2.137 CC(=O)NCCCc1c[nH]c2c1cccc2 240690a_100102525078_100015343762 [0,0,0,0,0,2|1,0,0]=3 1705 B17R2.137 CC(=O)NCCCc1c[nH]c2c1cccc2 527a_100102525078_100103153847 [0,0,0,0,0,2|1,0,0]=3 1706 B17R2.137 CC(=O)NCCOc1csc2c1cccc2 7a_100000077758_100000189650 [0,0,0,0,0,2|2,0,0]=4 1707 B17R2.137 CC(=O)NCCSc1c[nH]c2c1cccn2 62a_100000189650_100011934613 [0,0,0,0,0,2|2,0,0]=4 1708 B17R2.137 CC(=O)NCCSc1c[nH]c2c1ccnc2 62a_100000189650_100010232032 [0,0,0,0,0,2|2,0,0]=4 1709 B17R2.137 CC(=O)NCCSc1c[nH]c2c1cncc2 62a_100000189650_100000753697 [0,0,0,0,0,2|2,0,0]=4 1710 B17R2.137 CC(=O)NCCSc1c[nH]c2c1nccc2 62a_100000189650_100009817151 [0,0,0,0,0,2|2,0,0]=4 1711 B17R2.137 CC(=O)NCCSc1coc2c1cccc2 62a_100000189650_100009812202 [0,0,0,0,0,2|2,0,0]=4 1712 B17R2.137 CC(=O)NCCSc1csc2c1cccc2 62a_100000189650_100009813928 [0,0,0,0,0,2|2,0,0]=4 1713 B17R2.137 CC(=O)NCCSc1n[nH]c2c1cccc2 62a_100000189650_100000050141 [0,0,0,0,0,2|2,0,0]=4 1714 B17R2.137 CC(=O)OCCOc1csc2c1cccc2 34a_100000077758_100009814007 [0,0,0,0,0,2|2,0,0]=4 1715 B17R2.137 CC(=O)OCCOc1csc2c1cccc2 7a_100000077758_100009814007 [0,0,0,0,0,2|2,0,0]=4 1716 B17R2.137 CC(=O)OCCSc1c[nH]c2c1cccn2 62a_100009814007_100011934613 [0,0,0,0,0,2|2,0,0]=4 1717 B17R2.137 CC(=O)OCCSc1c[nH]c2c1ccnc2 62a_100009814007_100010232032 [0,0,0,0,0,2|2,0,0]=4 1718 B17R2.137 CC(=O)OCCSc1c[nH]c2c1cncc2 62a_100009814007_100000753697 [0,0,0,0,0,2|2,0,0]=4 1719 B17R2.137 CC(=O)OCCSc1c[nH]c2c1nccc2 62a_100009814007_100009817151 [0,0,0,0,0,2|2,0,0]=4 1720 B17R2.137 CC(=O)OCCSc1coc2c1cccc2 62a_100009814007_100009812202 [0,0,0,0,0,2|2,0,0]=4 1721 B17R2.137 CC(=O)OCCSc1csc2c1cccc2 62a_100009814007_100009813928 [0,0,0,0,0,2|2,0,0]=4 1722 B17R2.137 CC(=O)OCCSc1n[nH]c2c1cccc2 62a_100009814007_100000050141 [0,0,0,0,0,2|2,0,0]=4 1723 B17R2.137 CC(=O)OCNCc1csc2c1cccc2 34a_100000744611_100009813279 [0,0,0,0,0,2|2,0,0]=4 1724 B17R2.137 CC(=O)OCOCc1csc2c1cccc2 34a_100011219454_100009813279 [0,0,0,0,0,2|2,0,0]=4 1725 B17R2.137 CC(=O)OCSCc1csc2c1cccc2 62a_100000076356_200000742921 [0,0,0,0,0,2|2,0,0]=4 1726 B17R2.137 CC(=O)OCSCc1csc2c1cccc2 62a_200000742921_100000076356 [0,0,0,0,0,2|2,0,0]=4 1727 B17R2.137 CC(O)CNCCc1c[nH]c2c1cccc2 2230a_100000210904_100011218569 [0,0,0,0,0,2|1,0,1]=4 1728 B17R2.137 CC(O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100011218427 [0,0,0,0,0,2|1,0,1]=4 1729 B17R2.137 CC(O)CNCCc1c[nH]c2c1cccc2 34a_100000210904_100011218569 [0,0,0,0,0,2|1,0,1]=4 1730 B17R2.137 CC(O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100011218427 [0,0,0,0,0,2|1,0,1]=4 1731 B17R2.137 CC(O)CSCCc1c[nH]c2c1cccc2 62a_100011218427_100011218569 [0,0,0,0,0,2|1,0,1]=4 1732 B17R2.137 C[C@@H](O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100009817552 [0,0,0,0,0,2|1,0,1]=4 1733 B17R2.137 C[C@@H](O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100009817552 [0,0,0,0,0,2|1,0,1]=4 1734 B17R2.137 C[C@@H](O)CSCCc1c[nH]c2c1cccc2 62a_100009817552_100011218569 [0,0,0,0,0,2|1,0,1]=4 1735 B17R2.137 NC(=O)CCCOc1csc2c1cccc2 34a_100000077758_100102525003 [0,0,0,0,0,2|2,0,0]=4 1736 B17R2.137 NC(=O)CCCOc1csc2c1cccc2 7a_100000077758_100102525003 [0,0,0,0,0,2|2,0,0]=4 1737 B17R2.137 NC(=O)CCCSc1c[nH]c2c1cccn2 62a_100102525003_100011934613 [0,0,0,0,0,2|2,0,0]=4 1738 B17R2.137 NC(=O)CCCSc1c[nH]c2c1ccnc2 62a_100102525003_100010232032 [0,0,0,0,0,2|2,0,0]=4 1739 B17R2.137 NC(=O)CCCSc1c[nH]c2c1cncc2 62a_100102525003_100000753697 [0,0,0,0,0,2|2,0,0]=4 1740 B17R2.137 NC(=O)CCCSc1c[nH]c2c1nccc2 62a_100102525003_100009817151 [0,0,0,0,0,2|2,0,0]=4 1741 B17R2.137 NC(=O)CCCSc1coc2c1cccc2 62a_100102525003_100009812202 [0,0,0,0,0,2|2,0,0]=4 1742 B17R2.137 NC(=O)CCCSc1csc2c1cccc2 62a_100102525003_100009813928 [0,0,0,0,0,2|2,0,0]=4 1743 B17R2.137 NC(=O)CCCSc1n[nH]c2c1cccc2 62a_100102525003_100000050141 [0,0,0,0,0,2|2,0,0]=4 1744 B17R2.137 NC(=O)CCNCc1coc2c1cccc2 207a_100000740010_100000688544 [0,0,0,0,0,2|2,0,0]=4 1745 B17R2.137 NC(=O)CCNCc1csc2c1cccc2 207a_100000740010_100000239721 [0,0,0,0,0,2|2,0,0]=4 1746 B17R2.137 NC(=O)CCNCc1csc2c1cccc2 34a_100000744611_100000731001 [0,0,0,0,0,2|2,0,0]=4 1747 B17R2.137 NC(=O)CCNCc1n[nH]c2c1cccc2 207a_100000740010_100000059708 [0,0,0,0,0,2|2,0,0]=4 1748 B17R2.137 NC(=O)CCOCc1csc2c1cccc2 34a_100000757172_200000742921 [0,0,0,0,0,2|2,0,0]=4 1749 B17R2.137 NC(=O)CCOCc1csc2c1cccc2 34a_100011219454_100000731001 [0,0,0,0,0,2|2,0,0]=4 1750 B17R2.137 NC(=O)CCSCc1csc2c1cccc2 62a_100000744528_200000742921 [0,0,0,0,0,2|2,0,0]=4 1751 B17R2.137 NC(=O)CCSCc1csc2c1cccc2 62a_200000742921_100000744528 [0,0,0,0,0,2|2,0,0]=4 1752 B17R2.137 NC(=O)CNCCc1c[nH]c2c1cccc2 2230a_100000211132_100000747473 [0,0,0,0,0,2|1,0,0]=3 1753 B17R2.137 NC(=O)CNCCc1c[nH]c2c1cccc2 2230a_100000711301_100011218569 [0,0,0,0,0,2|1,0,0]=3 1754 B17R2.137 NC(=O)CNCCc1c[nH]c2c1cccn2 2230a_100000711301_100009895007 [0,0,0,0,0,2|2,0,0]=4 1755 B17R2.137 NC(=O)CNCCc1coc2c1cccc2 2230a_100011934666_100000747473 [0,0,0,0,0,2|2,0,0]=4 1756 B17R2.137 NC(=O)CNCCc1coc2c1cccc2 34a_100011934666_100000187820 [0,0,0,0,0,2|2,0,0]=4 1757 B17R2.137 NC(=O)COCCc1c[nH]c2c1cccc2 34a_100000752351_100000187820 [0,0,0,0,0,2|1,0,0]=3 1758 B17R2.137 NC(=O)CSCCc1c[nH]c2c1cccc2 62a_100000747473_100011218569 [0,0,0,0,0,2|1,0,0]=3 1759 B17R2.137 NC(=O)CSCCc1c[nH]c2c1cccn2 62a_100000747473_100009895007 [0,0,0,0,0,2|2,0,0]=4 1760 B17R2.137 NC(=O)NCCOc1csc2c1cccc2 7a_100000077758_200000034859 [0,0,0,0,0,2|2,0,0]=4 1761 B17R2.137 NC(=O)NCCSc1c[nH]c2c1cccn2 62a_200000034859_100011934613 [0,0,0,0,0,2|2,0,0]=4 1762 B17R2.137 NC(=O)NCCSc1c[nH]c2c1ccnc2 62a_200000034859_100010232032 [0,0,0,0,0,2|2,0,0]=4 1763 B17R2.137 NC(=O)NCCSc1c[nH]c2c1cncc2 62a_200000034859_100000753697 [0,0,0,0,0,2|2,0,0]=4 1764 B17R2.137 NC(=O)NCCSc1c[nH]c2c1nccc2 62a_200000034859_100009817151 [0,0,0,0,0,2|2,0,0]=4 1765 B17R2.137 NC(=O)NCCSc1coc2c1cccc2 62a_200000034859_100009812202 [0,0,0,0,0,2|2,0,0]=4 1766 B17R2.137 NC(=O)NCCSc1csc2c1cccc2 62a_200000034859_100009813928 [0,0,0,0,0,2|2,0,0]=4 1767 B17R2.137 NC(=O)NCCSc1n[nH]c2c1cccc2 62a_200000034859_100000050141 [0,0,0,0,0,2|2,0,0]=4 1768 B17R2.137 NC(=O)OCCOc1csc2c1cccc2 34a_100000077758_200011214921 [0,0,0,0,0,2|2,0,0]=4 1769 B17R2.137 NC(=O)OCCOc1csc2c1cccc2 7a_100000077758_200011214921 [0,0,0,0,0,2|2,0,0]=4 1770 B17R2.137 NC(=O)OCCSc1c[nH]c2c1cccn2 62a_200011214921_100011934613 [0,0,0,0,0,2|2,0,0]=4 1771 B17R2.137 NC(=O)OCCSc1c[nH]c2c1ccnc2 62a_200011214921_100010232032 [0,0,0,0,0,2|2,0,0]=4 1772 B17R2.137 NC(=O)OCCSc1c[nH]c2c1cncc2 62a_200011214921_100000753697 [0,0,0,0,0,2|2,0,0]=4 1773 B17R2.137 NC(=O)OCCSc1c[nH]c2c1nccc2 62a_200011214921_100009817151 [0,0,0,0,0,2|2,0,0]=4 1774 B17R2.137 NC(=O)OCCSc1coc2c1cccc2 62a_200011214921_100009812202 [0,0,0,0,0,2|2,0,0]=4 1775 B17R2.137 NC(=O)OCCSc1csc2c1cccc2 62a_200011214921_100009813928 [0,0,0,0,0,2|2,0,0]=4 1776 B17R2.137 NC(=O)OCCSc1n[nH]c2c1cccc2 62a_200011214921_100000050141 [0,0,0,0,0,2|2,0,0]=4 1777 B17R2.137 O=C(O)CNCCc1c[nH]c2c1cccc2 269956a_100016091260_100011218569 [0,0,0,0,0,2|0,0,0]=2 1778 B17R2.137 O=C(O)CNCCc1c[nH]c2c1cccn2 269956a_100016091260_100009895007 [0,0,0,0,0,2|1,0,0]=3 1779 B17R2.137 O=C(O)CONCc1csc2c1cccc2 269956a_100000106656_200000742921 [0,0,0,0,0,2|1,0,0]=3 1780 B17R2.137 O=C(O)CONCc1noc2c1cccc2 269956a_100000106656_100009813815 [0,0,0,0,0,2|2,0,0]=4 1781 B17R2.137 O=C([O-])CNCCc1coc2c1cccc2 34a_100011934666_100020667443 [0,0,0,0,0,2|1,0,1]=4 1782 B17R2.137 O=C([O-])COCCc1c[nH]c2c1cccc2 34a_100000752351_100020667443 [0,0,0,0,0,2|0,0,1]=3 1783 B17R2.137 O=C([O-])CSCCc1c[nH]c2c1cccc2 62a_100020667443_100011218569 [0,0,0,0,0,2|0,0,1]=3 1784 B17R2.137 O=C([O-])CSCCc1c[nH]c2c1cccn2 62a_100020667443_100009895007 [0,0,0,0,0,2|1,0,1]=4 1785 B17R2.137 O=[N+]([O-])COCCc1c[nH]c2c1cccc2 34a_100000752351_100000761209 [0,0,0,0,0,2|1,0,1]=4 1786 B17R2.5669 CC(=O)CCCc1ccc2ccccc2c1 1458a_100000697136_200000210301 [0,0,0,0,0,2|2,0,0]=4 1787 B17R2.5669 CC(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000053229 [0,0,0,0,0,2|2,0,0]=4 1788 B17R2.5669 CC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000053229 [0,0,0,0,0,2|2,0,0]=4 1789 B17R2.5669 CC(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000053229 [0,0,0,0,0,2|1,0,1]=4 1790 B17R2.5669 CC(=O)CCSc1ccc2ccccc2c1 1458a_200000208815_200000210301 [0,0,0,0,0,2|2,0,0]=4 1791 B17R2.5669 CC(=O)CCSc1ccc2ccccc2c1 62a_100000053229_100000233703 [0,0,0,0,0,2|2,0,0]=4 1792 B17R2.5669 CC(=O)CCSc1ccc2ccccc2n1 62a_100000053229_100011291633 [0,0,0,0,0,2|2,0,0]=4 1793 B17R2.5669 CC(=O)CCSc1ccc2ccccc2n1 62a_100011291633_100000053229 [0,0,0,0,0,2|2,0,0]=4 1794 B17R2.5669 CC(=O)CCSc1cnc2ccccc2c1 62a_100000053229_100000737414 [0,0,0,0,0,2|1,0,1]=4 1795 B17R2.5669 CC(=O)CCSc1cnc2ccccc2n1 62a_100000053229_100000756483 [0,0,0,0,0,2|1,0,1]=4 1796 B17R2.5669 CC(=O)CCSc1cnc2ccccc2n1 62a_100000756483_100000053229 [0,0,0,0,0,2|1,0,1]=4 1797 B17R2.5669 CC(=O)COCc1ccc2ccccc2c1 34a_100000211253_100011216711 [0,0,0,0,0,2|2,0,0]=4 1798 B17R2.5669 CC(=O)COCc1ccc2ccccc2n1 34a_100000211253_100000737579 [0,0,0,0,0,2|2,0,0]=4 1799 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 11a_100000746582_100015343762 [0,0,0,0,0,2|2,0,0]=4 1800 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 1626a_100000746582_100015343762 [0,0,0,0,0,2|2,0,0]=4 1801 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 240690a_100000746582_100015343762 [0,0,0,0,0,2|2,0,0]=4 1802 B17R2.5669 CC(=O)NCCc1ccc2ccccc2c1 527a_100000746582_100103153847 [0,0,0,0,0,2|2,0,0]=4 1803 B17R2.5669 CC(=O)NCCc1ccc2ccccc2n1 11a_100011238595_100015343762 [0,0,0,0,0,2|2,0,0]=4 1804 B17R2.5669 CC(=O)NCCc1ccc2ccccc2n1 1626a_100011238595_100015343762 [0,0,0,0,0,2|2,0,0]=4 1805 B17R2.5669 CC(=O)NCCc1ccc2ccccc2n1 240690a_100011238595_100015343762 [0,0,0,0,0,2|2,0,0]=4 1806 B17R2.5669 CC(=O)NCCc1ccc2ccccc2n1 527a_100011238595_100103153847 [0,0,0,0,0,2|2,0,0]=4 1807 B17R2.5669 NC(=O)CCNc1ccc2ccccc2c1 34a_100000211940_100000731001 [0,0,0,0,0,2|2,0,0]=4 1808 B17R2.5669 NC(=O)CCNc1ccc2ccccc2c1 7a_100000211940_100000744528 [0,0,0,0,0,2|2,0,0]=4 1809 B17R2.5669 NC(=O)CCNc1ccc2ccccc2n1 27a_100000740010_100011291633 [0,0,0,0,0,2|2,0,0]=4 1810 B17R2.5669 NC(=O)CCNc1cnc2ccccc2n1 27a_100000740010_100000756483 [0,0,0,0,0,2|1,0,1]=4 1811 B17R2.5669 NC(=O)CCOc1ccc2ccccc2c1 34a_100000185828_100000731001 [0,0,0,0,0,2|2,0,0]=4 1812 B17R2.5669 NC(=O)CCOc1ccc2ccccc2c1 7a_100000185828_100000744528 [0,0,0,0,0,2|2,0,0]=4 1813 B17R2.5669 NC(=O)CCOc1cnc2ccccc2c1 34a_100011934006_100000731001 [0,0,0,0,0,2|1,0,1]=4 1814 B17R2.5669 NC(=O)CCOc1cnc2ccccc2c1 7a_100011934006_100000744528 [0,0,0,0,0,2|1,0,1]=4 1815 B17R2.5669 NC(=O)CCSc1ccc2ccccc2c1 62a_100000744528_100000233703 [0,0,0,0,0,2|2,0,0]=4 1816 B17R2.5669 NC(=O)CCSc1ccc2ccccc2n1 62a_100000744528_100011291633 [0,0,0,0,0,2|2,0,0]=4 1817 B17R2.5669 NC(=O)CCSc1ccc2ccccc2n1 62a_100011291633_100000744528 [0,0,0,0,0,2|2,0,0]=4 1818 B17R2.5669 NC(=O)CCSc1cnc2ccccc2c1 62a_100000744528_100000737414 [0,0,0,0,0,2|1,0,1]=4 1819 B17R2.5669 NC(=O)CCSc1cnc2ccccc2n1 62a_100000744528_100000756483 [0,0,0,0,0,2|1,0,1]=4 1820 B17R2.5669 NC(=O)CCSc1cnc2ccccc2n1 62a_100000756483_100000744528 [0,0,0,0,0,2|1,0,1]=4 1821 B17R2.5669 NC(=O)CNCc1ccc2ccccc2c1 2230a_100000711301_100011216711 [0,0,0,0,0,2|2,0,0]=4 1822 B17R2.5669 NC(=O)CNCc1ccc2ccccc2c1 2230a_100000739491_100000747473 [0,0,0,0,0,2|2,0,0]=4 1823 B17R2.5669 NC(=O)CNCc1ccc2ccccc2c1 34a_100000739491_100000187820 [0,0,0,0,0,2|2,0,0]=4 1824 B17R2.5669 NC(=O)CNCc1ccc2ccccc2n1 2230a_100000711301_100000737579 [0,0,0,0,0,2|2,0,0]=4 1825 B17R2.5669 NC(=O)CNCc1cnc2ccccc2c1 34a_100000742225_100000187820 [0,0,0,0,0,2|1,0,1]=4 1826 B17R2.5669 NC(=O)COCc1ccc2ccccc2c1 34a_100011215330_100000187820 [0,0,0,0,0,2|2,0,0]=4 1827 B17R2.5669 NC(=O)COCc1ccc2ccccc2c1 7a_100011215330_100000187820 [0,0,0,0,0,2|2,0,0]=4 1828 B17R2.5669 NC(=O)COCc1cnc2ccccc2c1 34a_100011258773_100000187820 [0,0,0,0,0,2|1,0,1]=4 1829 B17R2.5669 NC(=O)CSCc1ccc2ccccc2c1 62a_100000747473_100011216711 [0,0,0,0,0,2|2,0,0]=4 1830 B17R2.5669 NC(=O)CSCc1ccc2ccccc2c1 62a_100011216711_100000747473 [0,0,0,0,0,2|2,0,0]=4 1831 B17R2.5669 NC(=O)CSCc1ccc2ccccc2n1 62a_100000737579_100000747473 [0,0,0,0,0,2|2,0,0]=4 1832 B17R2.5669 NC(=O)CSCc1ccc2ccccc2n1 62a_100000747473_100000737579 [0,0,0,0,0,2|2,0,0]=4 1833 B17R2.5669 NC(=O)CSCc1cnc2ccccc2n1 62a_100000747473_200000751123 [0,0,0,0,0,2|1,0,1]=4 1834 B17R2.5669 NC(=O)CSCc1cnc2ccccc2n1 62a_200000751123_100000747473 [0,0,0,0,0,2|1,0,1]=4 1835 B17R2.5669 O=C(O)CNCc1cc2ccccc2cn1 269956a_100016091260_100009869231 [0,0,0,0,0,2|2,0,0]=4 1836 B17R2.5669 O=C(O)CNCc1ccc2ccccc2c1 269956a_100016091260_100011216711 [0,0,0,0,0,2|1,0,0]=3 1837 B17R2.5669 O=C(O)CNCc1ccc2ccccc2n1 269956a_100016091260_100000737579 [0,0,0,0,0,2|1,0,0]=3 1838 B17R2.5669 O=C(O)CNCc1ccc2cnccc2c1 269956a_100016091260_100020605334 [0,0,0,0,0,2|2,0,0]=4 1839 B17R2.5669 O=C(O)CNCc1ccc2ncccc2c1 269956a_100016091260_100000703657 [0,0,0,0,0,2|2,0,0]=4 1840 B17R2.5669 O=C([O-])CNCc1ccc2ccccc2c1 34a_100000739491_100020667443 [0,0,0,0,0,2|1,0,1]=4 1841 B17R2.5669 O=C([O-])CNCc1cnc2ccccc2c1 34a_100000742225_100020667443 [0,0,0,0,0,2|0,0,2]=4 1842 B17R2.5669 O=C([O-])COCc1ccc2ccccc2c1 34a_100011215330_100020667443 [0,0,0,0,0,2|1,0,1]=4 1843 B17R2.5669 O=C([O-])COCc1cnc2ccccc2c1 34a_100011258773_100020667443 [0,0,0,0,0,2|0,0,2]=4 1844 B17R2.5669 O=C([O-])CSCc1ccc2ccccc2c1 62a_100011216711_100020667443 [0,0,0,0,0,2|1,0,1]=4 1845 B17R2.5669 O=C([O-])CSCc1ccc2ccccc2c1 62a_100020667443_100011216711 [0,0,0,0,0,2|1,0,1]=4 1846 B17R2.5669 O=C([O-])CSCc1ccc2ccccc2n1 62a_100000737579_100020667443 [0,0,0,0,0,2|1,0,1]=4 1847 B17R2.5669 O=C([O-])CSCc1ccc2ccccc2n1 62a_100020667443_100000737579 [0,0,0,0,0,2|1,0,1]=4 1848 B17R2.5669 O=C([O-])CSCc1cnc2ccccc2n1 62a_100020667443_200000751123 [0,0,0,0,0,2|0,0,2]=4 1849 B17R2.5669 O=C([O-])CSCc1cnc2ccccc2n1 62a_200000751123_100020667443 [0,0,0,0,0,2|0,0,2]=4 1850 B17R2.5669 [13CH3]C(=O)CCCc1ccc2ccccc2c1 1458a_100000697136_200025704644 [0,0,0,0,0,2|2,0,0]=4 1851 B17R2.5669 [13CH3]C(=O)CCSc1ccc2ccccc2c1 1458a_200000208815_200025704644 [0,0,0,0,0,2|2,0,0]=4 1852 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 1458a_100000070787_100000745918 [0,0,0,0,0,2|2,0,0]=4 1853 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 1458a_100000737181_200000210301 [0,0,0,0,0,2|2,0,0]=4 1854 B17R2.291558 CC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000053229 [0,0,0,0,0,2|2,0,0]=4 1855 B17R2.291558 CC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000053229 [0,0,0,0,0,2|1,0,1]=4 1856 B17R2.291558 CC(=O)CCSc1cccc2c1cccc2 62a_100000053229_100000210605 [0,0,0,0,0,2|2,0,0]=4 1857 B17R2.291558 CC(=O)CCSc1ccnc2c1cccc2 62a_100000053229_100011215880 [0,0,0,0,0,2|1,0,1]=4 1858 B17R2.291558 CC(=O)CCSc1ccnc2c1cccc2 62a_100011458314_100000053229 [0,0,0,0,0,2|1,0,1]=4 1859 B17R2.291558 CC(=O)CCSc1cncc2c1cccc2 62a_100000053229_100000187577 [0,0,0,0,0,2|1,0,1]=4 1860 B17R2.291558 CC(=O)CCSc1cncc2c1cccc2 62a_100000187577_100000053229 [0,0,0,0,0,2|1,0,1]=4 1861 B17R2.291558 CC(=O)CCSc1cnnc2c1cccc2 62a_100000053229_100000063506 [0,0,0,0,0,2|1,0,1]=4 1862 B17R2.291558 CC(=O)CCSc1nccc2c1cccc2 62a_100000053229_100011934041 [0,0,0,0,0,2|2,0,0]=4 1863 B17R2.291558 CC(=O)CCSc1nccc2c1cccc2 62a_100011934041_100000053229 [0,0,0,0,0,2|2,0,0]=4 1864 B17R2.291558 CC(=O)CCSc1ncnc2c1cccc2 62a_100000053229_100000217608 [0,0,0,0,0,2|1,0,1]=4 1865 B17R2.291558 CC(=O)CCSc1ncnc2c1cccc2 62a_100000753007_100000053229 [0,0,0,0,0,2|1,0,1]=4 1866 B17R2.291558 CC(=O)COCc1cccc2c1cccc2 34a_100000211253_100011261445 [0,0,0,0,0,2|2,0,0]=4 1867 B17R2.291558 CC(=O)COCc1ccnc2c1cccc2 34a_100000211253_100015192512 [0,0,0,0,0,2|1,0,1]=4 1868 B17R2.291558 CC(=O)COCc1nccc2c1cccc2 34a_100000211253_100000033776 [0,0,0,0,0,2|2,0,0]=4 1869 B17R2.291558 CC(=O)CSCc1cccc2c1cccc2 1458a_200000150182_200000210301 [0,0,0,0,0,2|2,0,0]=4 1870 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 11a_100000751862_100015343762 [0,0,0,0,0,2|2,0,0]=4 1871 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 1626a_100000751862_100015343762 [0,0,0,0,0,2|2,0,0]=4 1872 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 240690a_100000751862_100015343762 [0,0,0,0,0,2|2,0,0]=4 1873 B17R2.291558 CC(=O)NCCc1cccc2c1cccc2 527a_100000751862_100103153847 [0,0,0,0,0,2|2,0,0]=4 1874 B17R2.291558 NC(=O)CCNc1cccc2c1cccc2 34a_100000185869_100000731001 [0,0,0,0,0,2|2,0,0]=4 1875 B17R2.291558 NC(=O)CCNc1ccnc2c1cccc2 27a_100000740010_100011215880 [0,0,0,0,0,2|1,0,1]=4 1876 B17R2.291558 NC(=O)CCNc1cnnc2c1cccc2 27a_100000740010_100000063506 [0,0,0,0,0,2|1,0,1]=4 1877 B17R2.291558 NC(=O)CCNc1nccc2c1cccc2 27a_100000740010_100011934041 [0,0,0,0,0,2|2,0,0]=4 1878 B17R2.291558 NC(=O)CCNc1ncnc2c1cccc2 27a_100000740010_100000217608 [0,0,0,0,0,2|1,0,1]=4 1879 B17R2.291558 NC(=O)CCOc1cccc2c1cccc2 34a_100000210388_100000731001 [0,0,0,0,0,2|2,0,0]=4 1880 B17R2.291558 NC(=O)CCOc1cccc2c1cccc2 7a_100000210388_100000744528 [0,0,0,0,0,2|2,0,0]=4 1881 B17R2.291558 NC(=O)CCOc1cncc2c1cccc2 34a_100000066178_100000731001 [0,0,0,0,0,2|1,0,1]=4 1882 B17R2.291558 NC(=O)CCOc1cncc2c1cccc2 7a_100000066178_100000744528 [0,0,0,0,0,2|1,0,1]=4 1883 B17R2.291558 NC(=O)CCOc1nccc2c1cccc2 34a_102531767632_100000731001 [0,0,0,0,0,2|2,0,0]=4 1884 B17R2.291558 NC(=O)CCSc1cccc2c1cccc2 62a_100000744528_100000210605 [0,0,0,0,0,2|2,0,0]=4 1885 B17R2.291558 NC(=O)CCSc1ccnc2c1cccc2 62a_100000744528_100011215880 [0,0,0,0,0,2|1,0,1]=4 1886 B17R2.291558 NC(=O)CCSc1ccnc2c1cccc2 62a_100011458314_100000744528 [0,0,0,0,0,2|1,0,1]=4 1887 B17R2.291558 NC(=O)CCSc1cncc2c1cccc2 62a_100000187577_100000744528 [0,0,0,0,0,2|1,0,1]=4 1888 B17R2.291558 NC(=O)CCSc1cncc2c1cccc2 62a_100000744528_100000187577 [0,0,0,0,0,2|1,0,1]=4 1889 B17R2.291558 NC(=O)CCSc1cnnc2c1cccc2 62a_100000744528_100000063506 [0,0,0,0,0,2|1,0,1]=4 1890 B17R2.291558 NC(=O)CCSc1nccc2c1cccc2 62a_100000744528_100011934041 [0,0,0,0,0,2|2,0,0]=4 1891 B17R2.291558 NC(=O)CCSc1nccc2c1cccc2 62a_100011934041_100000744528 [0,0,0,0,0,2|2,0,0]=4 1892 B17R2.291558 NC(=O)CCSc1ncnc2c1cccc2 62a_100000744528_100000217608 [0,0,0,0,0,2|1,0,1]=4 1893 B17R2.291558 NC(=O)CCSc1ncnc2c1cccc2 62a_100000753007_100000744528 [0,0,0,0,0,2|1,0,1]=4 1894 B17R2.291558 NC(=O)CNCc1cccc2c1cccc2 2230a_100000711301_100011261445 [0,0,0,0,0,2|2,0,0]=4 1895 B17R2.291558 NC(=O)CNCc1cccc2c1cccc2 34a_100000753325_100000187820 [0,0,0,0,0,2|2,0,0]=4 1896 B17R2.291558 NC(=O)CNCc1ccnc2c1cccc2 2230a_100000711301_100015192512 [0,0,0,0,0,2|1,0,1]=4 1897 B17R2.291558 NC(=O)CNCc1nccc2c1cccc2 2230a_100000711301_100000033776 [0,0,0,0,0,2|2,0,0]=4 1898 B17R2.291558 NC(=O)COCc1cccc2c1cccc2 34a_100011216843_100000187820 [0,0,0,0,0,2|2,0,0]=4 1899 B17R2.291558 NC(=O)COCc1cccc2c1cccc2 7a_100011216843_100000187820 [0,0,0,0,0,2|2,0,0]=4 1900 B17R2.291558 NC(=O)CSCc1cccc2c1cccc2 62a_100000747473_100000188474 [0,0,0,0,0,2|2,0,0]=4 1901 B17R2.291558 NC(=O)CSCc1cccc2c1cccc2 62a_100011261445_100000747473 [0,0,0,0,0,2|2,0,0]=4 1902 B17R2.291558 NC(=O)CSCc1ccnc2c1cccc2 62a_100000747473_100015192512 [0,0,0,0,0,2|1,0,1]=4 1903 B17R2.291558 NC(=O)CSCc1ccnc2c1cccc2 62a_100015192512_100000747473 [0,0,0,0,0,2|1,0,1]=4 1904 B17R2.291558 NC(=O)CSCc1nccc2c1cccc2 62a_100000033776_100000747473 [0,0,0,0,0,2|2,0,0]=4 1905 B17R2.291558 NC(=O)CSCc1nccc2c1cccc2 62a_100000747473_100000033776 [0,0,0,0,0,2|2,0,0]=4 1906 B17R2.291558 O=C(O)CNCc1cccc2c1cccc2 269956a_100016091260_100000188474 [0,0,0,0,0,2|1,0,0]=3 1907 B17R2.291558 O=C(O)CNCc1cccc2c1ccnc2 269956a_100016091260_100016989825 [0,0,0,0,0,2|2,0,0]=4 1908 B17R2.291558 O=C(O)CNCc1cccc2c1nccc2 269956a_100016091260_100000241032 [0,0,0,0,0,2|2,0,0]=4 1909 B17R2.291558 O=C(O)CNCc1ccnc2c1cccc2 269956a_100016091260_100015192512 [0,0,0,0,0,2|0,0,1]=3 1910 B17R2.291558 O=C(O)CNCc1nccc2c1cccc2 269956a_100016091260_100000033776 [0,0,0,0,0,2|1,0,0]=3 1911 B17R2.291558 O=C([O-])CNCc1cccc2c1cccc2 34a_100000753325_100020667443 [0,0,0,0,0,2|1,0,1]=4 1912 B17R2.291558 O=C([O-])COCc1cccc2c1cccc2 34a_100011216843_100020667443 [0,0,0,0,0,2|1,0,1]=4 1913 B17R2.291558 O=C([O-])CSCc1cccc2c1cccc2 62a_100011261445_100020667443 [0,0,0,0,0,2|1,0,1]=4 1914 B17R2.291558 O=C([O-])CSCc1cccc2c1cccc2 62a_100020667443_100000188474 [0,0,0,0,0,2|1,0,1]=4 1915 B17R2.291558 O=C([O-])CSCc1ccnc2c1cccc2 62a_100015192512_100020667443 [0,0,0,0,0,2|0,0,2]=4 1916 B17R2.291558 O=C([O-])CSCc1ccnc2c1cccc2 62a_100020667443_100015192512 [0,0,0,0,0,2|0,0,2]=4 1917 B17R2.291558 O=C([O-])CSCc1nccc2c1cccc2 62a_100000033776_100020667443 [0,0,0,0,0,2|1,0,1]=4 1918 B17R2.291558 O=C([O-])CSCc1nccc2c1cccc2 62a_100020667443_100000033776 [0,0,0,0,0,2|1,0,1]=4 1919 B17R2.291558 [13CH3]C(=O)CCOc1cccc2c1cccc2 1458a_100000737181_200025704644 [0,0,0,0,0,2|2,0,0]=4 1920 B17R2.291558 [13CH3]C(=O)CSCc1cccc2c1cccc2 1458a_200000150182_200025704644 [0,0,0,0,0,2|2,0,0]=4