0 B20R2.174637 C=C(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000748629 [0,0,0,0,0,0|3,0,0]=3 1 B20R2.174637 C=C(C)CN(C)C(c1ccccc1)c2ccccc2 2230a_100000225649_100000211591 [0,0,0,0,0,0|4,0,0]=4 2 B20R2.174637 C=C(C)CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000748629 [0,0,0,0,0,0|4,0,0]=4 3 B20R2.174637 C=C(C)CN(C)C(c1ccccc1)c2ccccc2 269982a_100000225649_100000211591 [0,0,0,0,0,0|4,0,0]=4 4 B20R2.174637 C=C(C)CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000748629 [0,0,0,0,0,0|4,0,0]=4 5 B20R2.174637 C=C(C)CN(C)C(c1ccccc1)c2ccccc2 270004a_100000225649_100000210122 [0,0,0,0,0,0|4,0,0]=4 6 B20R2.174637 C=C(F)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100009893438 [0,0,0,0,0,0|3,0,0]=3 7 B20R2.174637 C=C(F)CN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100009893438 [0,0,0,0,0,0|4,0,0]=4 8 B20R2.174637 C=C(F)CN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100009893438 [0,0,0,0,0,0|4,0,0]=4 9 B20R2.174637 CC(=CC(=O)C(c1ccccc1)c2ccccc2)C 1458a_100000211388_100011216954 [0,0,0,0,0,0|3,0,1]=4 10 B20R2.174637 CC(=CC(=O)C(c1ccccc1)c2ccccc2)Cl 1458a_200042562850_100011216954 [0,0,0,0,0,0|3,0,1]=4 11 B20R2.174637 CC(=CC(=O)C(c1ccccc1)c2ccccc2)I 1458a_100025716642_100011216954 [0,0,0,0,0,0|3,0,1]=4 12 B20R2.174637 CC(=O)CC(=O)N(c1ccccc1)c2ccccc2 1458a_100000070787_200015198546 [0,0,0,0,0,0|3,0,0]=3 13 B20R2.174637 CC(=O)CS(=O)C(c1ccccc1)c2ccccc2 1458a_100020617424_200000210301 [0,0,0,0,0,0|1,0,0]=1 14 B20R2.174637 CC(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210554_100011216954 [0,0,0,0,0,0|3,0,1]=4 15 B20R2.174637 CC(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210624 [0,0,0,0,0,0|3,0,1]=4 16 B20R2.174637 CC(O)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100011218427 [0,0,0,0,0,0|2,0,2]=4 17 B20R2.174637 CN(C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000750896_100011216954 [0,0,0,0,0,0|4,0,0]=4 18 B20R2.174637 CN(CC(=O)N)C(c1ccccc1)c2ccccc2 2230a_100000739694_100000211591 [0,0,0,0,0,0|2,0,0]=2 19 B20R2.174637 CN(CC(=O)N)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000747473 [0,0,0,0,0,0|2,0,0]=2 20 B20R2.174637 CN(CC(=O)N)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000187820 [0,0,0,0,0,0|2,0,0]=2 21 B20R2.174637 CN(CC(=O)N)C(c1ccccc1)c2ccccc2 270004a_100000739694_100000210122 [0,0,0,0,0,0|2,0,0]=2 22 B20R2.174637 CN(CC(=O)N)C(c1ccccc1)c2ccccn2 270004a_100000739694_100000210380 [0,0,0,0,0,0|3,0,0]=3 23 B20R2.174637 CN(CC(=O)N)C(c1ccccc1)c2cccnc2 270004a_100000739694_100000735413 [0,0,0,0,0,0|3,0,0]=3 24 B20R2.174637 CN(CC(=O)N)C(c1cccnc1)c2ccccn2 270004a_100000739694_100011376182 [0,0,0,0,0,0|4,0,0]=4 25 B20R2.174637 CN(CC(=O)N)C(c1cccnc1)c2cccnc2 270004a_100000739694_200011376183 [0,0,0,0,0,0|4,0,0]=4 26 B20R2.174637 CN(CC(=O)O)C(c1ccccc1)c2ccccc2 269956a_100000746989_100011216954 [0,0,0,0,0,0|3,0,0]=3 27 B20R2.174637 CN(CC(=O)[O-])C(c1ccccc1)c2ccccc2 269982a_100103148541_100020667443 [0,0,0,0,0,0|3,0,0]=3 28 B20R2.174637 CN(C[N+](=O)[O-])C(c1ccccc1)c2ccccc2 269982a_100103148541_100000761209 [0,0,0,0,0,0|4,0,0]=4 29 B20R2.174637 C[C@@H](O)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100011933948_100011216954 [0,0,0,0,0,0|2,0,2]=4 30 B20R2.174637 C[S+](C)CC(=O)C(c1ccccc1)c2ccccc2 1458a_200159257847_100011216954 [0,0,0,0,0,0|4,0,0]=4 31 B20R2.174637 NC(=O)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000187820 [0,0,0,0,0,0|1,0,0]=1 32 B20R2.174637 NC(=O)CC(=O)C(c1ccccc1)c2ccccc2 1458a_100134613110_100011216954 [0,0,0,0,0,0|1,0,0]=1 33 B20R2.174637 O=C(C=C(Cl)Cl)C(c1ccccc1)c2ccccc2 1458a_100000137448_100011216954 [0,0,0,0,0,0|3,0,1]=4 34 B20R2.174637 O=C(CC(F)F)C(c1ccccc1)c2ccccc2 1458a_100000210944_100011934356 [0,0,0,0,0,0|3,0,1]=4 35 B20R2.174637 O=C(C[N+](=O)[O-])C(c1ccccc1)c2ccccc2 1458a_100000210944_100000761209 [0,0,0,0,0,0|3,0,0]=3 36 B20R2.174637 O=C([O-])CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100020667443 [0,0,0,0,0,0|2,0,0]=2 37 B20R2.174637 [13CH3]C(=O)CS(=O)C(c1ccccc1)c2ccccc2 1458a_100020617424_200025704644 [0,0,0,0,0,0|1,0,0]=1 38 B19R2.9813 C#CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000184674 [1,0,0,0,0,0|2,0,1]=4 39 B19R2.9813 C#CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100011220946_100011216954 [1,0,0,0,0,0|2,0,1]=4 40 B19R2.9813 C=CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210193_100011216954 [1,0,0,0,0,0|2,0,0]=3 41 B19R2.9813 C=CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210623 [1,0,0,0,0,0|2,0,0]=3 42 B19R2.9813 C=CCN(C)C(c1ccccc1)c2ccccc2 2230a_100000225617_100000211591 [1,0,0,0,0,0|3,0,0]=4 43 B19R2.9813 C=CCN(C)C(c1ccccc1)c2ccccc2 2230a_100103148541_100000210623 [1,0,0,0,0,0|3,0,0]=4 44 B19R2.9813 C=CCN(C)C(c1ccccc1)c2ccccc2 269982a_100000225617_100000211591 [1,0,0,0,0,0|3,0,0]=4 45 B19R2.9813 C=CCN(C)C(c1ccccc1)c2ccccc2 269982a_100103148541_100000210623 [1,0,0,0,0,0|3,0,0]=4 46 B19R2.9813 C=CCN(C)C(c1ccccc1)c2ccccc2 270004a_100000225617_100000210122 [1,0,0,0,0,0|3,0,0]=4 47 B19R2.9813 CC=CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210699_100011216954 [1,0,0,0,0,0|2,0,1]=4 48 B19R2.9813 CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210303 [1,0,0,0,0,0|2,0,1]=4 49 B19R2.9813 CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000211992_100011216954 [1,0,0,0,0,0|2,0,1]=4 50 B19R2.9813 CN(CC=O)C(c1ccccc1)c2ccccc2 2230a_100103148541_200015260668 [1,0,0,0,0,0|2,0,0]=3 51 B19R2.9813 CN(CC=O)C(c1ccccc1)c2ccccc2 269982a_100103148541_200015260668 [1,0,0,0,0,0|2,0,0]=3 52 B19R2.9813 COCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210968_100011216954 [1,0,0,0,0,0|3,0,0]=4 53 B19R2.9813 CSCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000184570_100011216954 [1,0,0,0,0,0|3,0,0]=4 54 B19R2.9813 N#CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100011214920 [1,0,0,0,0,0|1,0,2]=4 55 B19R2.9813 N#CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100051588842_100011216954 [1,0,0,0,0,0|1,0,2]=4 56 B19R2.9813 O=C(C=CBr)C(c1ccccc1)c2ccccc2 1458a_100016273825_100011216954 [1,0,0,0,0,0|2,0,1]=4 57 B19R2.9813 O=C(C=CCl)C(c1ccccc1)c2ccccc2 1458a_200016279998_100011216954 [1,0,0,0,0,0|2,0,1]=4 58 B19R2.9813 O=C(C=CI)C(c1ccccc1)c2ccccc2 1458a_100016256311_100011216954 [1,0,0,0,0,0|2,0,1]=4 59 B19R2.9813 O=C(CCF)C(c1ccccc1)c2ccccc2 1458a_100000210944_100011217306 [1,0,0,0,0,0|2,0,1]=4 60 B19R2.9813 O=C(CCO)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000211926 [1,0,0,0,0,0|1,0,2]=4 61 B19R2.9813 O=C(CCO)C(c1ccccc1)c2ccccc2 1458a_100011216618_100011216954 [1,0,0,0,0,0|1,0,2]=4 62 B19R2.13577 C=C(C)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000748629 [1,0,0,0,0,0|3,0,0]=4 63 B19R2.13577 C=C(C)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000748629 [1,0,0,0,0,0|3,0,0]=4 64 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000748629 [1,0,0,0,0,0|2,1,0]=4 65 B19R2.13577 C=C(C)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000748629 [1,0,0,0,0,0|2,1,0]=4 66 B19R2.13577 C=C(F)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100009893438 [1,0,0,0,0,0|3,0,0]=4 67 B19R2.13577 C=C(F)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100009893438 [1,0,0,0,0,0|3,0,0]=4 68 B19R2.13577 C=C(F)COC(c1ccccc1)c2ccccc2 34a_100000211180_100009893438 [1,0,0,0,0,0|2,1,0]=4 69 B19R2.13577 C=C(F)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000042424 [1,0,0,0,0,0|2,1,0]=4 70 B19R2.13577 C=C(F)CSC(c1ccccc1)c2ccccc2 62a_100000042424_100011216954 [1,0,0,0,0,0|2,0,1]=4 71 B19R2.13577 C=C(F)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000042424 [1,0,0,0,0,0|2,0,1]=4 72 B19R2.13577 CC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000070787_100009813428 [1,0,0,0,0,0|2,0,0]=3 73 B19R2.13577 CC(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B19R2.13577 CC(=O)CC[S+](c1ccccc1)c2ccccc2 1458a_100000070787_100010140906 [1,0,0,0,0,0|3,0,0]=4 75 B19R2.13577 CC(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_200000210301 [1,0,0,0,0,0|1,0,1]=3 76 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 1626a_100000739227_100015343762 [1,0,0,0,0,0|3,0,0]=4 77 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 240690a_100000739227_100015343762 [1,0,0,0,0,0|3,0,0]=4 78 B19R2.13577 CC(=O)NCC(c1ccccc1)c2ccccc2 527a_100000739227_100103153847 [1,0,0,0,0,0|3,0,0]=4 79 B19R2.13577 CC(=O)NNC(c1ccccc1)c2ccccc2 22a_100000742501_100000070787 [1,0,0,0,0,0|3,0,0]=4 80 B19R2.13577 NC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000747473 [1,0,0,0,0,0|1,0,0]=2 81 B19R2.13577 NC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000711301_100000211591 [1,0,0,0,0,0|1,0,0]=2 82 B19R2.13577 NC(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000187820 [1,0,0,0,0,0|1,0,0]=2 83 B19R2.13577 NC(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000747473 [1,0,0,0,0,0|2,0,0]=3 84 B19R2.13577 NC(=O)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000747473 [1,0,0,0,0,0|2,0,0]=3 85 B19R2.13577 NC(=O)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000747473 [1,0,0,0,0,0|2,0,0]=3 86 B19R2.13577 NC(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000187820 [1,0,0,0,0,0|0,1,0]=2 87 B19R2.13577 NC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000187820 [1,0,0,0,0,0|0,1,0]=2 88 B19R2.13577 NC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000187820 [1,0,0,0,0,0|1,1,0]=3 89 B19R2.13577 NC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000747473 [1,0,0,0,0,0|0,0,1]=2 90 B19R2.13577 NC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000747473_100011216954 [1,0,0,0,0,0|0,0,1]=2 91 B19R2.13577 O=C(O)CNC(c1ccccc1)c2ccccc2 269956a_100016091260_100011216954 [1,0,0,0,0,0|2,0,0]=3 92 B19R2.13577 O=C([O-])CNC(c1ccccc1)c2ccccc2 34a_100000162943_100020667443 [1,0,0,0,0,0|2,0,0]=3 93 B19R2.13577 O=C([O-])COC(c1ccccc1)c2ccccc2 34a_100000211180_100020667443 [1,0,0,0,0,0|1,1,0]=3 94 B19R2.13577 O=C([O-])CSC(c1ccccc1)c2ccccc2 62a_100000211591_100020667443 [1,0,0,0,0,0|1,0,1]=3 95 B19R2.13577 O=C([O-])CSC(c1ccccc1)c2ccccc2 62a_100020667443_100011216954 [1,0,0,0,0,0|1,0,1]=3 96 B19R2.13577 O=[N+]([O-])CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000761209 [1,0,0,0,0,0|3,0,0]=4 97 B19R2.13577 O=[N+]([O-])COC(c1ccccc1)c2ccccc2 34a_100000211180_100000761209 [1,0,0,0,0,0|2,1,0]=4 98 B19R2.13577 O=[N+]([O-])CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000761209 [1,0,0,0,0,0|2,0,1]=4 99 B19R2.13577 [13CH3]C(=O)CCP(c1ccccc1)c2ccccc2 1458a_100020644332_200025704644 [1,0,0,0,0,0|3,0,0]=4 100 B19R2.13577 [13CH3]C(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_200025704644 [1,0,0,0,0,0|1,0,1]=3 101 B19R1.12490 C=CC=CC(=O)C(C(=O)NC(=O)N)c1ccccc1 1458a_100016291481_100000010812 [0,0,1,0,0,0|3,0,0]=4 102 B21R3.7545 O=C1CN(CN1)C(c2ccccc2)c3ccccc3 2230a_200000708111_100000211591 [0,0,0,1,0,0|2,0,0]=3 103 B21R3.11728 CN1CC(=O)Nc2ccccc2C1c3ccccc3 2230a_200015258338_200000210301 [0,0,0,1,0,0|2,0,0]=3 104 B21R3.11728 CN1CC(=O)Nc2ccccc2C1c3ccccc3 269982a_200015258338_200000210301 [0,0,0,1,0,0|2,0,0]=3 105 B21R3.11728 [13CH3]N1CC(=O)Nc2ccccc2C1c3ccccc3 2230a_200015258338_200025704644 [0,0,0,1,0,0|2,0,0]=3 106 B21R3.11728 [13CH3]N1CC(=O)Nc2ccccc2C1c3ccccc3 269982a_200015258338_200025704644 [0,0,0,1,0,0|2,0,0]=3 107 B21R3.22824008 C=C(C)CC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_100000748629 [0,0,0,1,0,0|3,0,0]=4 108 B21R3.22824008 C=C(F)CC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_100009893438 [0,0,0,1,0,0|3,0,0]=4 109 B21R3.22824008 CN(CC(=O)N)C1c2ccccc2-c3c1cccc3 2230a_100000739694_100000211598 [0,0,0,1,0,0|2,0,0]=3 110 B21R3.22824008 CN(CC(=O)O)C1c2ccccc2-c3c1cccc3 269956a_100000746989_100000211598 [0,0,0,1,0,0|3,0,0]=4 111 B21R3.22824008 NC(=O)CC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_100000187820 [0,0,0,1,0,0|1,0,0]=2 112 B21R3.22824008 O=C(C[N+](=O)[O-])C1c2ccccc2-c3c1cccc3 1458a_100000182576_100000761209 [0,0,0,1,0,0|3,0,0]=4 113 B21R3.22824008 O=C([O-])CC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_100020667443 [0,0,0,1,0,0|2,0,0]=3 114 B19R2.113616 C=C(C)C(=O)C(c1ccccc1)c2ccccc2 1458a_100000185857_100011216954 [0,0,0,0,1,0|3,0,0]=4 115 B19R2.113616 CC(=O)N(C)C(c1ccccc1)c2ccccc2 11a_100103148541_100015343762 [0,0,0,0,1,0|3,0,0]=4 116 B19R2.113616 CC(=O)N(C)C(c1ccccc1)c2ccccc2 1626a_100103148541_100015343762 [0,0,0,0,1,0|3,0,0]=4 117 B19R2.113616 CC(=O)N(C)C(c1ccccc1)c2ccccc2 240690a_100103148541_100015343762 [0,0,0,0,1,0|3,0,0]=4 118 B19R2.113640 CN(CC(=O)N)C(c1ccccc1)c2cccs2 270004a_100000739694_100011214959 [0,0,0,0,1,0|3,0,0]=4 119 B18R2.40 C=CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000210623 [2,0,0,0,0,0|2,0,0]=4 120 B18R2.40 C=CCNC(c1ccccc1)c2ccccc2 2230a_100020586998_100000211591 [2,0,0,0,0,0|2,0,0]=4 121 B18R2.40 C=CCNC(c1ccccc1)c2ccccc2 270004a_100020586998_100000210122 [2,0,0,0,0,0|2,0,0]=4 122 B18R2.40 C=CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100015514636 [2,0,0,0,0,0|2,0,0]=4 123 B18R2.40 C=CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100015514636 [2,0,0,0,0,0|1,1,0]=4 124 B18R2.40 C=CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100015514636 [2,0,0,0,0,0|1,1,0]=4 125 B18R2.40 C=CCSC(c1ccccc1)c2ccccc2 62a_100000210623_100011216954 [2,0,0,0,0,0|1,0,1]=4 126 B18R2.40 C=CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000210623 [2,0,0,0,0,0|1,0,1]=4 127 B18R2.40 O=CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_200015260668 [2,0,0,0,0,0|1,0,0]=3 128 B18R2.40 O=CCNC(c1ccccc1)c2ccccc2 34a_100000162943_200009817547 [2,0,0,0,0,0|1,0,0]=3 129 B18R2.40 O=CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_200015260668 [2,0,0,0,0,0|2,0,0]=4 130 B18R2.40 O=CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_200015260668 [2,0,0,0,0,0|2,0,0]=4 131 B18R2.40 O=CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_200015260668 [2,0,0,0,0,0|2,0,0]=4 132 B18R2.40 O=CCOC(c1ccccc1)c2ccccc2 34a_100000211180_200009817547 [2,0,0,0,0,0|0,1,0]=3 133 B18R2.40 O=CCOC(c1ccccc1)c2ccccc2 7a_100000211180_200015260668 [2,0,0,0,0,0|0,1,0]=3 134 B18R2.40 O=CCOC(c1ccccc1)c2ccccn2 7a_100000180852_200015260668 [2,0,0,0,0,0|1,1,0]=4 135 B18R2.40 O=CCSC(c1ccccc1)c2ccccc2 62a_100000211591_200015260668 [2,0,0,0,0,0|0,0,1]=3 136 B18R2.40 O=CCSC(c1ccccc1)c2ccccc2 62a_200015260668_100011216954 [2,0,0,0,0,0|0,0,1]=3 137 B18R2.2312 C=CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000185746_100011216954 [2,0,0,0,0,0|1,0,1]=4 138 B18R2.2312 CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210414_100011216954 [2,0,0,0,0,0|1,0,1]=4 139 B18R2.2312 CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000210202 [2,0,0,0,0,0|1,0,1]=4 140 B18R2.2312 O=C(CF)C(c1ccccc1)c2ccccc2 1458a_100000210944_100015361967 [2,0,0,0,0,0|2,0,0]=4 141 B18R2.2312 O=C(CO)C(c1ccccc1)c2ccccc2 1458a_100000210174_100011216954 [2,0,0,0,0,0|1,0,1]=4 142 B20R2.1877 C=CC(C)C(=O)C(c1ccccc1)c2ccccc2 1458a_100011216780_100011216954 [1,1,0,0,0,0|2,0,0]=4 143 B20R2.4986 C/C=C/CC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100102629194 [1,1,0,0,0,0|2,0,0]=4 144 B20R2.4986 C=CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000754431 [1,1,0,0,0,0|2,0,0]=4 145 B20R2.4986 C=CCCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000749702_100011216954 [1,1,0,0,0,0|2,0,0]=4 146 B20R2.4986 C=CCNC(=O)C(c1ccccc1)c2ccccc2 1626a_100020586998_100000210944 [1,1,0,0,0,0|2,0,0]=4 147 B20R2.4986 C=CCNC(=O)C(c1ccccc1)c2ccccc2 240690a_100020586998_100000210944 [1,1,0,0,0,0|2,0,0]=4 148 B20R2.4986 C=CCNC(=O)C(c1ccccc1)c2ccccc2 527a_100020586998_100000210944 [1,1,0,0,0,0|2,0,0]=4 149 B20R2.4986 CC=CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100000210944_100000070051 [1,1,0,0,0,0|2,0,0]=4 150 B20R2.4986 CC=CCC(=O)C(c1ccccc1)c2ccccc2 1458a_100121576822_100011216954 [1,1,0,0,0,0|2,0,0]=4 151 B20R2.13848 C=CCC(=O)C(C)(c1ccccc1)c2ccccc2 1458a_100000752439_100000210623 [1,1,0,0,0,0|2,0,0]=4 152 B20R2.18148 C#CC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000211873_100009813428 [1,1,0,0,0,0|2,0,0]=4 153 B20R2.18148 C=CC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000185746_100009813428 [1,1,0,0,0,0|2,0,0]=4 154 B20R2.18148 CCC(=O)CCC(c1ccccc1)c2ccccc2 1458a_100000210414_100009813428 [1,1,0,0,0,0|2,0,0]=4 155 B20R2.18148 CCC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000747405 [1,1,0,0,0,0|1,1,0]=4 156 B20R2.18148 CCC(=O)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_100000210202 [1,1,0,0,0,0|1,0,1]=4 157 B20R2.18148 CCC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000747405 [1,1,0,0,0,0|1,0,1]=4 158 B20R2.18148 CCC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000747405_100011216954 [1,1,0,0,0,0|1,0,1]=4 159 B20R2.18148 CNC(=O)CCP(c1ccccc1)c2ccccc2 1626a_100102657272_100020644332 [1,1,0,0,0,0|2,0,0]=4 160 B20R2.18148 CNC(=O)CCP(c1ccccc1)c2ccccc2 240690a_100102657272_100020644332 [1,1,0,0,0,0|2,0,0]=4 161 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000183359 [1,1,0,0,0,0|1,0,0]=3 162 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000693194_100000211591 [1,1,0,0,0,0|1,0,0]=3 163 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccc2 270004a_100000693194_100000210122 [1,1,0,0,0,0|1,0,0]=3 164 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000183359 [1,1,0,0,0,0|1,0,0]=3 165 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000183359 [1,1,0,0,0,0|2,0,0]=4 166 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccccn2 270004a_100000693194_100000210380 [1,1,0,0,0,0|2,0,0]=4 167 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000183359 [1,1,0,0,0,0|2,0,0]=4 168 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2cccnc2 270004a_100000693194_100000735413 [1,1,0,0,0,0|2,0,0]=4 169 B20R2.18148 CNC(=O)CNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000183359 [1,1,0,0,0,0|2,0,0]=4 170 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000183359 [1,1,0,0,0,0|0,1,0]=3 171 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000183359 [1,1,0,0,0,0|0,1,0]=3 172 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccn2 7a_100000180852_100000183359 [1,1,0,0,0,0|1,1,0]=4 173 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 11a_106832991635_100000683935 [1,1,0,0,0,0|0,0,1]=3 174 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 1626a_100102657272_100000683935 [1,1,0,0,0,0|0,0,1]=3 175 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 240690a_100102657272_100000683935 [1,1,0,0,0,0|0,0,1]=3 176 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 527a_100102657272_100000683935 [1,1,0,0,0,0|0,0,1]=3 177 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000183359_100011216954 [1,1,0,0,0,0|0,0,1]=3 178 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000183359 [1,1,0,0,0,0|0,0,1]=3 179 B20R2.18148 CNC(=O)NCC(c1ccccc1)c2ccccc2 2708a_100000739227_106832991635 [1,1,0,0,0,0|2,0,0]=4 180 B20R2.18148 CNC(=O)NCC(c1ccccc1)c2ccccc2 2708a_100102657272_100000739227 [1,1,0,0,0,0|2,0,0]=4 181 B20R2.18148 CNC(=O)NCC(c1ccccc1)c2ccccc2 273464a_100000739227_100102657272 [1,1,0,0,0,0|2,0,0]=4 182 B20R2.18148 CNC(=O)NCC(c1ccccc1)c2ccccc2 273464a_100102657272_100000739227 [1,1,0,0,0,0|2,0,0]=4 183 B20R2.18148 CNC(=O)NCC(c1ccccc1)c2ccccc2 512a_106832991638_100000739227 [1,1,0,0,0,0|2,0,0]=4 184 B20R2.18148 CNC(=O)NNC(c1ccccc1)c2ccccc2 273464a_100102657272_100000742501 [1,1,0,0,0,0|2,0,0]=4 185 B20R2.18148 CNC(=O)NNC(c1ccccc1)c2ccccc2 512a_106832991638_100000742501 [1,1,0,0,0,0|2,0,0]=4 186 B20R2.18148 COC(=O)CNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000747449 [1,1,0,0,0,0|2,0,0]=4 187 B20R2.18148 COC(=O)CNC(c1ccccc1)c2ccccc2 34a_100000162943_100000747449 [1,1,0,0,0,0|2,0,0]=4 188 B20R2.18148 COC(=O)COC(c1ccccc1)c2ccccc2 34a_100000211180_100000747449 [1,1,0,0,0,0|1,1,0]=4 189 B20R2.18148 COC(=O)COC(c1ccccc1)c2ccccc2 7a_100000211180_100000747449 [1,1,0,0,0,0|1,1,0]=4 190 B20R2.18148 COC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000747449 [1,1,0,0,0,0|1,0,1]=4 191 B20R2.18148 COC(=O)CSC(c1ccccc1)c2ccccc2 62a_100000747449_100011216954 [1,1,0,0,0,0|1,0,1]=4 192 B20R2.18148 O=C(CF)CSC(c1ccccc1)c2ccccc2 1458a_100000683935_100015361967 [1,1,0,0,0,0|1,0,1]=4 193 B20R2.18148 O=C(CO)CCC(c1ccccc1)c2ccccc2 1458a_100000210174_100009813428 [1,1,0,0,0,0|2,0,0]=4 194 B20R2.29400 CC(=O)C(C)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100009814033 [1,1,0,0,0,0|2,0,0]=4 195 B20R2.29400 CC(=O)C(C)OC(c1ccccc1)c2ccccc2 7a_100000211180_100000179758 [1,1,0,0,0,0|1,1,0]=4 196 B20R2.29400 CC(=O)C(C)SC(c1ccccc1)c2ccccc2 62a_100000211591_100009814033 [1,1,0,0,0,0|1,0,1]=4 197 B20R2.29400 CC(=O)C(C)SC(c1ccccc1)c2ccccc2 62a_100009814033_100011216954 [1,1,0,0,0,0|1,0,1]=4 198 B20R2.29400 CC(NC(c1ccccc1)c2ccccc2)C(=O)N 2230a_100000162943_100000702099 [1,1,0,0,0,0|1,0,0]=3 199 B20R2.29400 CC(NC(c1ccccc1)c2ccccc2)C(=O)N 34a_100000162943_100000702099 [1,1,0,0,0,0|1,0,0]=3 200 B20R2.29400 CC(NC(c1ccccc1)c2ccccn2)C(=O)N 2230a_100000689936_100000702099 [1,1,0,0,0,0|2,0,0]=4 201 B20R2.29400 CC(NC(c1ccccc1)c2cccnc2)C(=O)N 2230a_100011232609_100000702099 [1,1,0,0,0,0|2,0,0]=4 202 B20R2.29400 CC(NC(c1ccccc1)c2ccncc2)C(=O)N 2230a_100025760769_100000702099 [1,1,0,0,0,0|2,0,0]=4 203 B20R2.29400 CC(OC(c1ccccc1)c2ccccc2)C(=O)N 34a_100000211180_100000702099 [1,1,0,0,0,0|0,1,0]=3 204 B20R2.29400 CC(OC(c1ccccc1)c2ccccc2)C(=O)N 7a_100000211180_100000702099 [1,1,0,0,0,0|0,1,0]=3 205 B20R2.29400 CC(OC(c1ccccc1)c2ccccn2)C(=O)N 7a_100000180852_100000702099 [1,1,0,0,0,0|1,1,0]=4 206 B20R2.29400 CC(SC(c1ccccc1)c2ccccc2)C(=O)N 62a_100000211591_100000702099 [1,1,0,0,0,0|0,0,1]=3 207 B20R2.29400 CC(SC(c1ccccc1)c2ccccc2)C(=O)N 62a_100000702099_100011216954 [1,1,0,0,0,0|0,0,1]=3 208 B20R2.29400 C[C@@H](NC(c1ccccc1)c2ccccc2)C(=O)N 2230a_100000119354_100000211591 [1,1,0,0,0,0|1,0,0]=3 209 B20R2.29400 C[C@@H](NC(c1ccccc1)c2ccccc2)C(=O)N 270004a_100000119354_100000210122 [1,1,0,0,0,0|1,0,0]=3 210 B20R2.29400 C[C@@H](NC(c1ccccc1)c2ccccn2)C(=O)N 270004a_100000119354_100000210380 [1,1,0,0,0,0|2,0,0]=4 211 B20R2.29400 C[C@@H](NC(c1ccccc1)c2cccnc2)C(=O)N 270004a_100000119354_100000735413 [1,1,0,0,0,0|2,0,0]=4 212 B20R2.29400 C[C@@H](OC(c1ccccc1)c2ccccc2)C(=O)N 7a_100000731257_100011216954 [1,1,0,0,0,0|0,1,0]=3 213 B20R2.29400 C[C@H](NC(c1ccccc1)c2ccccc2)C(=O)O 269956a_100000743915_100011216954 [1,1,0,0,0,0|2,0,0]=4 214 B20R2.29400 C[C@H](OC(c1ccccc1)c2ccccc2)C(=O)[O-] 7a_217856618621_100011216954 [1,1,0,0,0,0|1,1,0]=4 215 B20R2.29400 NC(=O)C(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100011215815 [1,1,0,0,0,0|1,0,1]=4 216 B20R2.29400 NC(=O)C(F)NC(c1ccccc1)c2ccccc2 2230a_100000162943_100009813875 [1,1,0,0,0,0|1,0,0]=3 217 B20R2.29400 NC(=O)C(F)NC(c1ccccc1)c2ccccc2 34a_100000162943_100009813875 [1,1,0,0,0,0|1,0,0]=3 218 B20R2.29400 NC(=O)C(F)NC(c1ccccc1)c2ccccn2 2230a_100000689936_100009813875 [1,1,0,0,0,0|2,0,0]=4 219 B20R2.29400 NC(=O)C(F)NC(c1ccccc1)c2cccnc2 2230a_100011232609_100009813875 [1,1,0,0,0,0|2,0,0]=4 220 B20R2.29400 NC(=O)C(F)NC(c1ccccc1)c2ccncc2 2230a_100025760769_100009813875 [1,1,0,0,0,0|2,0,0]=4 221 B20R2.29400 NC(=O)C(F)OC(c1ccccc1)c2ccccc2 34a_100000211180_100009813875 [1,1,0,0,0,0|0,1,0]=3 222 B20R2.29400 NC(=O)C(F)OC(c1ccccc1)c2ccccc2 7a_100000211180_100009813875 [1,1,0,0,0,0|0,1,0]=3 223 B20R2.29400 NC(=O)C(F)OC(c1ccccc1)c2ccccn2 7a_100000180852_100009813875 [1,1,0,0,0,0|1,1,0]=4 224 B20R2.29400 NC(=O)C(F)SC(c1ccccc1)c2ccccc2 62a_100000211591_100009813875 [1,1,0,0,0,0|0,0,1]=3 225 B20R2.29400 NC(=O)C(F)SC(c1ccccc1)c2ccccc2 62a_100009813875_100011216954 [1,1,0,0,0,0|0,0,1]=3 226 B20R2.29400 O=C([O-])C(F)NC(c1ccccc1)c2ccccc2 34a_100000162943_100020610796 [1,1,0,0,0,0|2,0,0]=4 227 B20R2.29400 O=C([O-])C(F)OC(c1ccccc1)c2ccccc2 34a_100000211180_100020610796 [1,1,0,0,0,0|1,1,0]=4 228 B20R2.29400 O=C([O-])C(F)SC(c1ccccc1)c2ccccc2 62a_100000211591_100020610796 [1,1,0,0,0,0|1,0,1]=4 229 B20R2.29400 O=C([O-])C(F)SC(c1ccccc1)c2ccccc2 62a_100020610796_100011216954 [1,1,0,0,0,0|1,0,1]=4 230 B20R2.72040 NC(=O)CNC(c1ccccc1)c2cccc(c2)Br 2230a_100011212009_100000747473 [1,1,0,0,0,0|1,0,0]=3 231 B20R2.72040 NC(=O)CNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100000187820 [1,1,0,0,0,0|1,0,0]=3 232 B20R2.72040 NC(=O)CNC(c1ccccc1)c2cccc(c2)Cl 2230a_100000741085_100000747473 [1,1,0,0,0,0|1,0,0]=3 233 B20R2.72040 NC(=O)CNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100000187820 [1,1,0,0,0,0|1,0,0]=3 234 B20R2.72040 NC(=O)CNC(c1ccccc1)c2cccc(c2)F 2230a_100000686443_100000747473 [1,1,0,0,0,0|1,0,0]=3 235 B20R2.72040 NC(=O)CNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100000187820 [1,1,0,0,0,0|1,0,0]=3 236 B20R2.72040 NC(=O)COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100000187820 [1,1,0,0,0,0|0,1,0]=3 237 B20R2.72040 NC(=O)COC(c1ccccc1)c2cccc(c2)Cl 7a_100000733576_100000187820 [1,1,0,0,0,0|0,1,0]=3 238 B20R2.72040 NC(=O)COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100000187820 [1,1,0,0,0,0|0,1,0]=3 239 B20R2.72040 NC(=O)COC(c1ccccc1)c2cccc(c2)F 7a_100000749007_100000187820 [1,1,0,0,0,0|0,1,0]=3 240 B20R2.72040 O=C([O-])CNC(c1ccccc1)c2cccc(c2)Br 34a_100011212009_100020667443 [1,1,0,0,0,0|2,0,0]=4 241 B20R2.72040 O=C([O-])CNC(c1ccccc1)c2cccc(c2)Cl 34a_100000741085_100020667443 [1,1,0,0,0,0|2,0,0]=4 242 B20R2.72040 O=C([O-])CNC(c1ccccc1)c2cccc(c2)F 34a_100000686443_100020667443 [1,1,0,0,0,0|2,0,0]=4 243 B20R2.72040 O=C([O-])COC(c1ccccc1)c2cccc(c2)Cl 34a_100000733576_100020667443 [1,1,0,0,0,0|1,1,0]=4 244 B20R2.72040 O=C([O-])COC(c1ccccc1)c2cccc(c2)F 34a_100000749007_100020667443 [1,1,0,0,0,0|1,1,0]=4 245 B20R2.77823 CC(OCC(=O)N)(c1ccccc1)c2ccccc2 7a_100011202337_100000187820 [1,1,0,0,0,0|0,1,0]=3 246 B20R2.77823 CC(OCC(=O)N)(c1ccccc1)c2ccccn2 7a_200000075192_100000187820 [1,1,0,0,0,0|1,1,0]=4 247 B20R2.140971 Cc1ccccc1C(NCC(=O)N)c2ccccc2 2230a_100000222801_100000747473 [1,1,0,0,0,0|1,0,0]=3 248 B20R2.140971 Cc1ccccc1C(NCC(=O)N)c2ccccc2 2230a_100000711301_100000230135 [1,1,0,0,0,0|1,0,0]=3 249 B20R2.140971 Cc1ccccc1C(NCC(=O)N)c2ccccc2 34a_100000222801_100000187820 [1,1,0,0,0,0|1,0,0]=3 250 B20R2.140971 Cc1ccccc1C(NCC(=O)N)c2ccncc2 2230a_100015184055_100000747473 [1,1,0,0,0,0|2,0,0]=4 251 B20R2.140971 Cc1ccccc1C(NCC(=O)O)c2ccccc2 269956a_100016091260_100000230135 [1,1,0,0,0,0|2,0,0]=4 252 B20R2.140971 Cc1ccccc1C(NCC(=O)[O-])c2ccccc2 34a_100000222801_100020667443 [1,1,0,0,0,0|2,0,0]=4 253 B20R2.140971 Cc1ccccc1C(OCC(=O)N)c2ccccc2 34a_100000212071_100000187820 [1,1,0,0,0,0|0,1,0]=3 254 B20R2.140971 Cc1ccccc1C(OCC(=O)N)c2ccccc2 7a_100000212071_100000187820 [1,1,0,0,0,0|0,1,0]=3 255 B20R2.140971 Cc1ccccc1C(OCC(=O)[O-])c2ccccc2 34a_100000212071_100020667443 [1,1,0,0,0,0|1,1,0]=4 256 B20R2.140971 Cc1ccccc1C(SCC(=O)N)c2ccccc2 62a_100000230135_100000747473 [1,1,0,0,0,0|0,0,1]=3 257 B20R2.140971 Cc1ccccc1C(SCC(=O)N)c2ccccc2 62a_100000747473_100000230135 [1,1,0,0,0,0|0,0,1]=3 258 B20R2.140971 Cc1ccccc1C(SCC(=O)[O-])c2ccccc2 62a_100000230135_100020667443 [1,1,0,0,0,0|1,0,1]=4 259 B20R2.140971 Cc1ccccc1C(SCC(=O)[O-])c2ccccc2 62a_100020667443_100000230135 [1,1,0,0,0,0|1,0,1]=4 260 B20R2.140971 NC(=O)CNC(c1ccccc1)c2ccccc2Br 2230a_100011211563_100000747473 [1,1,0,0,0,0|1,0,0]=3 261 B20R2.140971 NC(=O)CNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100000187820 [1,1,0,0,0,0|1,0,0]=3 262 B20R2.140971 NC(=O)COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100000187820 [1,1,0,0,0,0|0,1,0]=3 263 B20R2.140971 NC(=O)COC(c1ccccc1)c2ccccc2Cl 7a_200011400577_100000187820 [1,1,0,0,0,0|0,1,0]=3 264 B20R2.140971 NC(=O)COC(c1ccccc1)c2ccccc2N 34a_100000246470_100000187820 [1,1,0,0,0,0|0,1,0]=3 265 B20R2.140971 NC(=O)COC(c1ccccc1)c2ccccc2N 7a_100000246470_100000187820 [1,1,0,0,0,0|0,1,0]=3 266 B20R2.140971 Nc1ccccc1C(OCC(=O)[O-])c2ccccc2 34a_100000246470_100020667443 [1,1,0,0,0,0|1,1,0]=4 267 B20R2.140971 O=C([O-])CNC(c1ccccc1)c2ccccc2Br 34a_100011211563_100020667443 [1,1,0,0,0,0|2,0,0]=4 268 B20R2.140971 O=C([O-])COC(c1ccccc1)c2ccccc2Cl 34a_200011400577_100020667443 [1,1,0,0,0,0|1,1,0]=4 269 B20R2.240825 CC(=O)CSC(c1ccccc1)c2ccc(cc2)Cl 1458a_100000684134_200000210301 [1,1,0,0,0,0|1,0,1]=4 270 B20R2.240825 Cc1ccc(cc1)C(NCC(=O)N)c2ccccc2 2230a_100000736602_100000747473 [1,1,0,0,0,0|1,0,0]=3 271 B20R2.240825 Cc1ccc(cc1)C(NCC(=O)N)c2ccccc2 34a_100000736602_100000187820 [1,1,0,0,0,0|1,0,0]=3 272 B20R2.240825 Cc1ccc(cc1)C(NCC(=O)N)c2ccncc2 34a_200015185284_100000187820 [1,1,0,0,0,0|2,0,0]=4 273 B20R2.240825 Cc1ccc(cc1)C(NCC(=O)[O-])c2ccccc2 34a_100000736602_100020667443 [1,1,0,0,0,0|2,0,0]=4 274 B20R2.240825 Cc1ccc(cc1)C(OCC(=O)N)c2ccccc2 34a_100000212064_100000187820 [1,1,0,0,0,0|0,1,0]=3 275 B20R2.240825 Cc1ccc(cc1)C(OCC(=O)N)c2ccccc2 7a_100000212064_100000187820 [1,1,0,0,0,0|0,1,0]=3 276 B20R2.240825 Cc1ccc(cc1)C(OCC(=O)[O-])c2ccccc2 34a_100000212064_100020667443 [1,1,0,0,0,0|1,1,0]=4 277 B20R2.240825 NC(=O)CNC(c1ccc(cc1)Cl)c2ccccn2 2230a_100000711301_200010188304 [1,1,0,0,0,0|2,0,0]=4 278 B20R2.240825 NC(=O)CNC(c1ccccc1)c2ccc(cc2)Br 2230a_100000745999_100000747473 [1,1,0,0,0,0|1,0,0]=3 279 B20R2.240825 NC(=O)CNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100000187820 [1,1,0,0,0,0|1,0,0]=3 280 B20R2.240825 NC(=O)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000711301_100000211669 [1,1,0,0,0,0|1,0,0]=3 281 B20R2.240825 NC(=O)CNC(c1ccccc1)c2ccc(cc2)Cl 2230a_100000737946_100000747473 [1,1,0,0,0,0|1,0,0]=3 282 B20R2.240825 NC(=O)CNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100000187820 [1,1,0,0,0,0|1,0,0]=3 283 B20R2.240825 NC(=O)CNC(c1ccccc1)c2ccc(cc2)F 2230a_100000737529_100000747473 [1,1,0,0,0,0|1,0,0]=3 284 B20R2.240825 NC(=O)CNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100000187820 [1,1,0,0,0,0|1,0,0]=3 285 B20R2.240825 NC(=O)CNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100000187820 [1,1,0,0,0,0|1,0,0]=3 286 B20R2.240825 NC(=O)CNC(c1ccncc1)c2ccc(cc2)F 2230a_100000751741_100000747473 [1,1,0,0,0,0|2,0,0]=4 287 B20R2.240825 NC(=O)CNC(c1ccncc1)c2ccc(cc2)F 34a_100000751741_100000187820 [1,1,0,0,0,0|2,0,0]=4 288 B20R2.240825 NC(=O)COC(c1ccc(cc1)Cl)c2ccccn2 34a_100000242608_100000187820 [1,1,0,0,0,0|1,1,0]=4 289 B20R2.240825 NC(=O)COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100000187820 [1,1,0,0,0,0|0,1,0]=3 290 B20R2.240825 NC(=O)COC(c1ccccc1)c2ccc(cc2)Br 7a_100011217567_100000187820 [1,1,0,0,0,0|0,1,0]=3 291 B20R2.240825 NC(=O)COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100000187820 [1,1,0,0,0,0|0,1,0]=3 292 B20R2.240825 NC(=O)COC(c1ccccc1)c2ccc(cc2)Cl 7a_100000211768_100000187820 [1,1,0,0,0,0|0,1,0]=3 293 B20R2.240825 NC(=O)COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100000187820 [1,1,0,0,0,0|0,1,0]=3 294 B20R2.240825 NC(=O)COC(c1ccccc1)c2ccc(cc2)F 7a_200000246460_100000187820 [1,1,0,0,0,0|0,1,0]=3 295 B20R2.240825 NC(=O)COC(c1ccccc1)c2ccc(cc2)N 34a_100011236343_100000187820 [1,1,0,0,0,0|0,1,0]=3 296 B20R2.240825 NC(=O)COC(c1ccccc1)c2ccc(cc2)N 7a_100011236343_100000187820 [1,1,0,0,0,0|0,1,0]=3 297 B20R2.240825 NC(=O)COC(c1ccncc1)c2ccc(cc2)F 34a_100000748166_100000187820 [1,1,0,0,0,0|1,1,0]=4 298 B20R2.240825 NC(=O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_100000747473_200010188304 [1,1,0,0,0,0|1,0,1]=4 299 B20R2.240825 NC(=O)CSC(c1ccc(cc1)Cl)c2ccccn2 62a_200010188304_100000747473 [1,1,0,0,0,0|1,0,1]=4 300 B20R2.240825 NC(=O)CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100000747473 [1,1,0,0,0,0|0,0,1]=3 301 B20R2.240825 NC(=O)CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000747473_100000211669 [1,1,0,0,0,0|0,0,1]=3 302 B20R2.240825 Nc1ccc(cc1)C(OCC(=O)[O-])c2ccccc2 34a_100011236343_100020667443 [1,1,0,0,0,0|1,1,0]=4 303 B20R2.240825 O=C(O)CNC(c1ccccc1)c2ccc(cc2)Cl 269956a_100016091260_100000211669 [1,1,0,0,0,0|2,0,0]=4 304 B20R2.240825 O=C([O-])CNC(c1ccccc1)c2ccc(cc2)Br 34a_100000745999_100020667443 [1,1,0,0,0,0|2,0,0]=4 305 B20R2.240825 O=C([O-])CNC(c1ccccc1)c2ccc(cc2)Cl 34a_100000737946_100020667443 [1,1,0,0,0,0|2,0,0]=4 306 B20R2.240825 O=C([O-])CNC(c1ccccc1)c2ccc(cc2)F 34a_100000737529_100020667443 [1,1,0,0,0,0|2,0,0]=4 307 B20R2.240825 O=C([O-])CNC(c1ccccc1)c2ccc(cc2)O 34a_100000198503_100020667443 [1,1,0,0,0,0|2,0,0]=4 308 B20R2.240825 O=C([O-])COC(c1ccccc1)c2ccc(cc2)Br 34a_100011217567_100020667443 [1,1,0,0,0,0|1,1,0]=4 309 B20R2.240825 O=C([O-])COC(c1ccccc1)c2ccc(cc2)Cl 34a_100000211768_100020667443 [1,1,0,0,0,0|1,1,0]=4 310 B20R2.240825 O=C([O-])COC(c1ccccc1)c2ccc(cc2)F 34a_200000246460_100020667443 [1,1,0,0,0,0|1,1,0]=4 311 B20R2.240825 O=C([O-])CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100000211669_100020667443 [1,1,0,0,0,0|1,0,1]=4 312 B20R2.240825 O=C([O-])CSC(c1ccccc1)c2ccc(cc2)Cl 62a_100020667443_100000211669 [1,1,0,0,0,0|1,0,1]=4 313 B20R2.240825 [13CH3]C(=O)CSC(c1ccccc1)c2ccc(cc2)Cl 1458a_100000684134_200025704644 [1,1,0,0,0,0|1,0,1]=4 314 B20R2.2714554 NS(=O)(=O)CSC(c1ccccc1)c2ccccc2 62a_100000211591_100000741382 [1,1,0,0,0,0|1,0,1]=4 315 B20R2.2714554 NS(=O)(=O)CSC(c1ccccc1)c2ccccc2 62a_100000741382_100011216954 [1,1,0,0,0,0|1,0,1]=4 316 B20R3.5384109 C=CCC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_100000210623 [1,0,0,1,0,0|2,0,0]=4 317 B20R3.651490 NC(=O)CNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000747473 [1,0,0,1,0,0|1,0,0]=3 318 B20R3.651490 NC(=O)CNC1c2ccccc2-c3c1cccc3 2230a_100000711301_100000211598 [1,0,0,1,0,0|1,0,0]=3 319 B20R3.651490 NC(=O)COC1c2ccccc2-c3c1cccc3 7a_100000211495_100000187820 [1,0,0,1,0,0|0,1,0]=3 320 B20R3.651490 NC(=O)CSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000747473 [1,0,0,1,0,0|0,0,1]=3 321 B20R3.651490 O=C(O)CNC1c2ccccc2-c3c1cccc3 269956a_100016091260_100000211598 [1,0,0,1,0,0|2,0,0]=4 322 B20R3.651490 O=C([O-])CSC1c2ccccc2-c3c1cccc3 62a_100000211598_100020667443 [1,0,0,1,0,0|1,0,1]=4 323 B22R4.1609702 O=C1CN(CN1)C2c3ccccc3-c4c2cccc4 2230a_200000708111_100000211598 [0,0,0,2,0,0|2,0,0]=4 324 B18R2.7184 CC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_200000210301 [1,0,0,0,1,0|1,0,0]=3 325 B18R2.7184 CC(=O)CP(c1ccccc1)c2ccccc2 1458a_200020607205_200000210301 [1,0,0,0,1,0|2,0,0]=4 326 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100015343762 [1,0,0,0,1,0|2,0,0]=4 327 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccc2 1626a_100000162943_100015343762 [1,0,0,0,1,0|2,0,0]=4 328 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100015343762 [1,0,0,0,1,0|2,0,0]=4 329 B18R2.7184 CC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100103153847 [1,0,0,0,1,0|2,0,0]=4 330 B18R2.7184 [13CH3]C(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_200025704644 [1,0,0,0,1,0|1,0,0]=3 331 B18R2.7184 [13CH3]C(=O)CP(c1ccccc1)c2ccccc2 1458a_200020607205_200025704644 [1,0,0,0,1,0|2,0,0]=4 332 B18R2.9953 NC(=O)CNC(c1ccccc1)c2ccco2 2230a_100015185865_100000747473 [1,0,0,0,1,0|2,0,0]=4 333 B18R2.9953 NC(=O)CNC(c1ccccc1)c2ccco2 34a_100015185865_100000187820 [1,0,0,0,1,0|2,0,0]=4 334 B18R2.9953 NC(=O)CNC(c1ccccc1)c2cccs2 2230a_100025760362_100000747473 [1,0,0,0,1,0|2,0,0]=4 335 B18R2.9953 NC(=O)CNC(c1ccccc1)c2cccs2 34a_100025760362_100000187820 [1,0,0,0,1,0|2,0,0]=4 336 B18R2.9953 NC(=O)CNC(c1ccccc1)c2ccoc2 2230a_100102946537_100000747473 [1,0,0,0,1,0|2,0,0]=4 337 B18R2.9953 NC(=O)CNC(c1ccccc1)c2ccoc2 34a_100102946537_100000187820 [1,0,0,0,1,0|2,0,0]=4 338 B20R2.11885 C=CCC(=O)C(Cc1ccccc1)c2ccccc2 1458a_200000261918_100000210623 [1,0,0,0,0,1|2,0,0]=4 339 B20R2.11885 C=CCC(=O)C(Sc1ccccc1)c2ccccc2 1458a_100005462441_100000210623 [1,0,0,0,0,1|2,0,0]=4 340 B20R2.14082 C=CCC(=O)CC(c1ccccc1)c2ccccc2 1458a_100000499737_100000210623 [1,0,0,0,0,1|2,0,0]=4 341 B20R2.14082 C=CCC(=O)NC(c1ccccc1)c2ccccc2 11a_100000162943_100000210193 [1,0,0,0,0,1|2,0,0]=4 342 B20R2.14082 C=CCC(=O)NC(c1ccccc1)c2ccccc2 1626a_100000162943_100000210193 [1,0,0,0,0,1|2,0,0]=4 343 B20R2.14082 C=CCC(=O)NC(c1ccccc1)c2ccccc2 240690a_100000162943_100000210193 [1,0,0,0,0,1|2,0,0]=4 344 B20R2.14082 C=CCC(=O)NC(c1ccccc1)c2ccccc2 527a_100000162943_100000210193 [1,0,0,0,0,1|2,0,0]=4 345 B20R2.10559 NC(=O)CCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000744528 [1,0,0,0,0,1|2,0,0]=4 346 B20R2.10559 NC(=O)CCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000744528 [1,0,0,0,0,1|2,0,0]=4 347 B20R2.10559 NC(=O)CCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000731001 [1,0,0,0,0,1|2,0,0]=4 348 B20R2.10559 NC(=O)CNC(Cc1ccccc1)c2ccccc2 2230a_100025772854_100000747473 [1,0,0,0,0,1|1,0,0]=3 349 B20R2.10559 NC(=O)COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100000187820 [1,0,0,0,0,1|0,1,0]=3 350 B20R2.10559 NC(=O)COC(Cc1ccccc1)c2ccccc2 7a_100000246494_100000187820 [1,0,0,0,0,1|0,1,0]=3 351 B20R2.10559 O=C([O-])COC(Cc1ccccc1)c2ccccc2 34a_100000246494_100020667443 [1,0,0,0,0,1|1,1,0]=4 352 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 1458a_100000070787_100000734929 [1,0,0,0,0,1|1,1,0]=4 353 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000053229 [1,0,0,0,0,1|1,1,0]=4 354 B20R2.10799 CC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000759926_100011216954 [1,0,0,0,0,1|1,1,0]=4 355 B20R2.10799 CC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000053229_100011216954 [1,0,0,0,0,1|1,0,1]=4 356 B20R2.10799 CC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000053229 [1,0,0,0,0,1|1,0,1]=4 357 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 11a_100000272388_100015343762 [1,0,0,0,0,1|2,0,0]=4 358 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 1626a_100000272388_100015343762 [1,0,0,0,0,1|2,0,0]=4 359 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100015343762 [1,0,0,0,0,1|2,0,0]=4 360 B20R2.10799 CC(=O)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100103153847 [1,0,0,0,0,1|2,0,0]=4 361 B20R2.10799 CC(=O)OCNC(c1ccccc1)c2ccccc2 34a_100000162943_100009813279 [1,0,0,0,0,1|2,0,0]=4 362 B20R2.10799 CC(=O)OCOC(c1ccccc1)c2ccccc2 34a_100000211180_100009813279 [1,0,0,0,0,1|1,1,0]=4 363 B20R2.10799 CC(=O)OCSC(c1ccccc1)c2ccccc2 62a_100000076356_100011216954 [1,0,0,0,0,1|1,0,1]=4 364 B20R2.10799 CC(=O)OCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000076356 [1,0,0,0,0,1|1,0,1]=4 365 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000744528 [1,0,0,0,0,1|1,0,0]=3 366 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000731001 [1,0,0,0,0,1|1,0,0]=3 367 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2ccccn2 2230a_100000689936_100000744528 [1,0,0,0,0,1|2,0,0]=4 368 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2cccnc2 2230a_100011232609_100000744528 [1,0,0,0,0,1|2,0,0]=4 369 B20R2.10799 NC(=O)CCNC(c1ccccc1)c2ccncc2 2230a_100025760769_100000744528 [1,0,0,0,0,1|2,0,0]=4 370 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000731001 [1,0,0,0,0,1|0,1,0]=3 371 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000744528 [1,0,0,0,0,1|0,1,0]=3 372 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000757172_100011216954 [1,0,0,0,0,1|0,1,0]=3 373 B20R2.10799 NC(=O)CCOC(c1ccccc1)c2ccccn2 7a_100000180852_100000744528 [1,0,0,0,0,1|1,1,0]=4 374 B20R2.10799 NC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000744528 [1,0,0,0,0,1|0,0,1]=3 375 B20R2.10799 NC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000744528_100011216954 [1,0,0,0,0,1|0,0,1]=3 376 B20R2.10799 NC(=O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000747473 [1,0,0,0,0,1|1,0,0]=3 377 B20R2.10799 NC(=O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000187820 [1,0,0,0,0,1|1,0,0]=3 378 B20R2.10799 NC(=O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000187820 [1,0,0,0,0,1|0,1,0]=3 379 B20R2.10799 NC(=O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000187820 [1,0,0,0,0,1|0,1,0]=3 380 B20R2.10799 O=C(O)CONC(c1ccccc1)c2ccccc2 269956a_100000106656_100011216954 [1,0,0,0,0,1|1,1,0]=4 381 B20R2.10799 O=C([O-])CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100020667443 [1,0,0,0,0,1|2,0,0]=4 382 B20R2.10799 O=C([O-])COCC(c1ccccc1)c2ccccc2 34a_100011215272_100020667443 [1,0,0,0,0,1|1,1,0]=4 383 B20R2.10798 NC(=O)C(=O)N(Cc1ccccc1)c2ccccc2 22a_100000188819_100011215815 [0,0,0,0,1,1|2,0,0]=4 384 B20R2.17872 NC(=O)CC(=O)C(Cc1ccccc1)n2cccc2 1458a_100000243807_100000187820 [0,0,0,0,1,1|2,0,0]=4 385 B20R2.68383 NC(=O)CC(=O)CC(c1ccccc1)c2ccco2 1458a_100000067043_100000187820 [0,0,0,0,1,1|2,0,0]=4 386 B20R2.68383 NC(=O)CC(=O)NC(c1ccccc1)c2ccco2 240690a_100015185865_100134613110 [0,0,0,0,1,1|2,0,0]=4 387 B20R2.68383 NC(=O)CC(=O)NC(c1ccccc1)c2ccco2 527a_100015185865_100134613110 [0,0,0,0,1,1|2,0,0]=4 388 B20R2.68383 NC(=O)CC(=O)NC(c1ccccc1)c2cccs2 240690a_100025760362_100134613110 [0,0,0,0,1,1|2,0,0]=4 389 B20R2.68383 NC(=O)CC(=O)NC(c1ccccc1)c2cccs2 527a_100025760362_100134613110 [0,0,0,0,1,1|2,0,0]=4 390 B20R2.68383 NC(=O)CC(=O)NC(c1ccccc1)c2ccoc2 240690a_100102946537_100134613110 [0,0,0,0,1,1|2,0,0]=4 391 B20R2.68383 NC(=O)CC(=O)NC(c1ccccc1)c2ccoc2 527a_100102946537_100134613110 [0,0,0,0,1,1|2,0,0]=4