0 B20R2.170974 CC(=O)c1ccccc1Sc2ccccc2C(=O)N 62a_100000751169_100000162227 [0,0,1,0,0,0|2,1,0]=4 1 B20R2.170974 CC(=O)c1ccccc1Sc2ccccc2C(=O)O 62a_100000751169_100000734275 [0,0,1,0,0,0|1,1,0]=3 2 B20R2.170974 CC(=O)c1cccnc1Sc2ccccc2C(=O)O 62a_100000753718_100000734275 [0,0,1,0,0,0|2,1,0]=4 3 B20R2.170974 CC(=O)c1cccnc1Sc2ccccc2C(=O)O 62a_202125556159_100000753718 [0,0,1,0,0,0|2,1,0]=4 4 B20R2.170974 CC(=O)c1ccncc1Sc2ccccc2C(=O)O 62a_100009993184_100000734275 [0,0,1,0,0,0|2,1,0]=4 5 B20R2.170974 CC(=O)c1ccncc1Sc2ccccc2C(=O)O 62a_202125556159_100009993184 [0,0,1,0,0,0|2,1,0]=4 6 B20R2.170974 CC(=O)c1cnccc1Sc2ccccc2C(=O)O 62a_100160469449_100000734275 [0,0,1,0,0,0|2,1,0]=4 7 B20R2.170974 CC(=O)c1cnccc1Sc2ccccc2C(=O)O 62a_202125556159_100160469449 [0,0,1,0,0,0|2,1,0]=4 8 B20R2.170974 CC(=O)c1ncccc1Sc2ccccc2C(=O)O 62a_100012348690_100000734275 [0,0,1,0,0,0|2,1,0]=4 9 B20R2.170974 CC(=O)c1ncccc1Sc2ccccc2C(=O)O 62a_202125556159_100012348690 [0,0,1,0,0,0|2,1,0]=4 10 B20R2.170974 CC(O)c1ccccc1Sc2ccccc2C(=O)O 62a_100000702211_100000734275 [0,0,1,0,0,0|1,1,1]=4 11 B20R2.170974 CC(O)c1ccccc1Sc2ccccc2C(=O)O 62a_202125556159_100000702211 [0,0,1,0,0,0|1,1,1]=4 12 B20R2.170974 CS(=O)c1ccccc1Sc2ccccc2C(=O)O 62a_100000734199_100000734275 [0,0,1,0,0,0|2,1,0]=4 13 B20R2.170974 NC(=O)c1ccccc1Sc2ccccc2C(=O)N 62a_100000162227_100000162227 [0,0,1,0,0,0|2,1,0]=4 14 B20R2.170974 NC(=O)c1ccccc1Sc2ccccc2C(=O)O 62a_100000162227_100000734275 [0,0,1,0,0,0|1,1,0]=3 15 B20R2.170974 NC(=O)c1ccccc1Sc2ccccc2C(=O)O 62a_202125556159_100000162227 [0,0,1,0,0,0|1,1,0]=3 16 B20R2.170974 NC(=O)c1cccnc1Sc2ccccc2C(=O)O 62a_100000162199_100000734275 [0,0,1,0,0,0|2,1,0]=4 17 B20R2.170974 NC(=O)c1cccnc1Sc2ccccc2C(=O)O 62a_202125556159_100000162199 [0,0,1,0,0,0|2,1,0]=4 18 B20R2.170974 NC(=O)c1ccncc1Sc2ccccc2C(=O)O 62a_100010205435_100000734275 [0,0,1,0,0,0|2,1,0]=4 19 B20R2.170974 NC(=O)c1ccncc1Sc2ccccc2C(=O)O 62a_202125556159_100010205435 [0,0,1,0,0,0|2,1,0]=4 20 B20R2.170974 NC(=O)c1cnccc1Sc2ccccc2C(=O)O 62a_100000697804_100000734275 [0,0,1,0,0,0|2,1,0]=4 21 B20R2.170974 NC(=O)c1cnccc1Sc2ccccc2C(=O)O 62a_202125556159_100000697804 [0,0,1,0,0,0|2,1,0]=4 22 B20R2.170974 NC(=O)c1ncccc1Sc2ccccc2C(=O)O 62a_200012359670_100000734275 [0,0,1,0,0,0|2,1,0]=4 23 B20R2.170974 NC(=O)c1ncccc1Sc2ccccc2C(=O)O 62a_202125556159_200012359670 [0,0,1,0,0,0|2,1,0]=4 24 B20R2.170974 O=C(O)c1ccccc1Sc2ccccc2B(O)O 62a_100000693059_100000734275 [0,0,1,0,0,0|1,1,1]=4 25 B20R2.170974 O=C(O)c1ccccc1Sc2ccccc2B(O)O 62a_202125556159_100000693059 [0,0,1,0,0,0|1,1,1]=4 26 B20R2.170974 O=C(O)c1ccccc1Sc2ccccc2C(=O)O 62a_202125556159_100000734275 [0,0,1,0,0,0|0,1,0]=2 27 B20R2.2885673 CC(=O)c1cc(ccn1)c2cccc(c2O)C(=O)C 271570a_100010218428_100009815558 [0,0,1,0,0,0|3,0,0]=4 28 B20R2.2885673 CC(=O)c1cccc(c1)c2cccc(c2C)C(=O)C 271570a_100000067831_100012706834 [0,0,1,0,0,0|3,0,0]=4 29 B20R2.2885673 CC(=O)c1cccc(c1)c2cccc(c2C)C(=O)N 271570a_100000067831_200012298201 [0,0,1,0,0,0|3,0,0]=4 30 B20R2.2885673 CC(=O)c1cccc(c1)c2cccc(c2F)C(=O)C 271570a_100000049449_100000210093 [0,0,1,0,0,0|3,0,0]=4 31 B20R2.2885673 CC(=O)c1cccc(c1)c2cccc(c2F)C(=O)C 271570a_100000067831_100012355707 [0,0,1,0,0,0|3,0,0]=4 32 B20R2.2885673 CC(=O)c1cccc(c1)c2cccc(c2F)C(=O)N 271570a_100000067831_100012351131 [0,0,1,0,0,0|3,0,0]=4 33 B20R2.2885673 CC(=O)c1cccc(c1)c2cccc(c2N)C(=O)N 271570a_100000067831_100010144993 [0,0,1,0,0,0|3,0,0]=4 34 B20R2.2885673 CC(=O)c1cccc(c1)c2cccc(c2O)C(=O)C 271570a_100000067831_100009815558 [0,0,1,0,0,0|2,0,0]=3 35 B20R2.2885673 CC(=O)c1cccc(c1)c2cccc(c2O)[N+](=O)[O-] 1458a_200020643151_200000210301 [0,0,1,0,0,0|2,0,1]=4 36 B20R2.2885673 CC(=O)c1cccc(c1C)c2cccc(c2)C(=O)N 271570a_100000067779_100012706834 [0,0,1,0,0,0|3,0,0]=4 37 B20R2.2885673 CC(=O)c1cccc(c1F)c2cccc(c2)C(=O)N 271570a_100000049449_100000162208 [0,0,1,0,0,0|3,0,0]=4 38 B20R2.2885673 CC(=O)c1cccc(c1F)c2cccc(c2)C(=O)N 271570a_100000067779_100012355707 [0,0,1,0,0,0|3,0,0]=4 39 B20R2.2885673 CC(=O)c1cccc(c1O)c2cccc(c2)C(=O)N 271570a_100000067779_100009815558 [0,0,1,0,0,0|2,0,0]=3 40 B20R2.2885673 CC(=O)c1cccc(c1O)c2cccc(c2)C(=S)N 271570a_100137510062_100009815558 [0,0,1,0,0,0|2,1,0]=4 41 B20R2.2885673 CC(=O)c1cccc(c1O)c2cccc(c2)C(C)O 271570a_100000117165_100009815558 [0,0,1,0,0,0|2,0,1]=4 42 B20R2.2885673 CC(=O)c1cccc(c1O)c2cccc(c2)S(=O)C 271570a_100010046206_100009815558 [0,0,1,0,0,0|3,0,0]=4 43 B20R2.2885673 CC(=O)c1cccc(c1O)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100009815558 [0,0,1,0,0,0|2,0,1]=4 44 B20R2.2885673 CC(=O)c1cccc(c1O)c2cncc(c2)C(=O)N 271570a_100000070206_100009815558 [0,0,1,0,0,0|3,0,0]=4 45 B20R2.2885673 CC(=O)c1cncc(c1)c2cccc(c2O)C(=O)C 271570a_100000099518_100009815558 [0,0,1,0,0,0|3,0,0]=4 46 B20R2.2885673 Cc1c(cccc1c2cccc(c2)C(=O)N)C(=O)N 271570a_100000067779_200012298201 [0,0,1,0,0,0|3,0,0]=4 47 B20R2.2885673 NC(=O)c1cccc(c1)c2cccc(c2F)C(=O)N 271570a_100000067779_100012351131 [0,0,1,0,0,0|3,0,0]=4 48 B20R2.2885673 NC(=O)c1cccc(c1)c2cccc(c2N)C(=O)N 271570a_100000067779_100010144993 [0,0,1,0,0,0|3,0,0]=4 49 B20R2.2885673 [13CH3]C(=O)c1cccc(c1)c2cccc(c2O)[N+](=O)[O-] 1458a_200020643151_200025704644 [0,0,1,0,0,0|2,0,1]=4 50 B19R2.14492 C=Cc1ccccc1Sc2ccccc2C(=O)O 62a_100011218376_100000734275 [1,0,1,0,0,0|1,1,0]=4 51 B19R2.14492 C=Cc1ccccc1Sc2ccccc2C(=O)O 62a_202125556159_100011218376 [1,0,1,0,0,0|1,1,0]=4 52 B19R2.14492 CC(=O)c1ccccc1Sc2ccccc2C=O 62a_100000751169_100000210073 [1,0,1,0,0,0|1,1,0]=4 53 B19R2.14492 NC(=O)c1ccccc1Sc2ccccc2C=O 62a_100000162227_100000210073 [1,0,1,0,0,0|1,1,0]=4 54 B19R2.14492 NC(=O)c1ccccc1Sc2ccccc2C=O 62a_100000210073_100000162227 [1,0,1,0,0,0|1,1,0]=4 55 B19R2.14492 O=C(O)c1ccccc1Sc2ccccc2CO 62a_100000187465_100000734275 [1,0,1,0,0,0|0,1,1]=4 56 B19R2.14492 O=C(O)c1ccccc1Sc2ccccc2CO 62a_202125556159_100000187465 [1,0,1,0,0,0|0,1,1]=4 57 B19R2.14492 O=Cc1ccccc1Sc2ccccc2C(=O)O 62a_100000210073_100000734275 [1,0,1,0,0,0|0,1,0]=3 58 B19R2.14492 O=Cc1ccccc1Sc2ccccc2C(=O)O 62a_202125556159_100000210073 [1,0,1,0,0,0|0,1,0]=3 59 B19R2.14492 O=Cc1cccnc1Sc2ccccc2C(=O)O 62a_100009816751_100000734275 [1,0,1,0,0,0|1,1,0]=4 60 B19R2.14492 O=Cc1cccnc1Sc2ccccc2C(=O)O 62a_202125556159_100009816751 [1,0,1,0,0,0|1,1,0]=4 61 B19R2.14492 O=Cc1ccncc1Sc2ccccc2C(=O)O 62a_100011934409_100000734275 [1,0,1,0,0,0|1,1,0]=4 62 B19R2.14492 O=Cc1ccncc1Sc2ccccc2C(=O)O 62a_202125556159_100011934409 [1,0,1,0,0,0|1,1,0]=4 63 B19R2.14492 O=Cc1cnccc1Sc2ccccc2C(=O)O 62a_100000050567_100000734275 [1,0,1,0,0,0|1,1,0]=4 64 B19R2.14492 O=Cc1cnccc1Sc2ccccc2C(=O)O 62a_202125556159_100000050567 [1,0,1,0,0,0|1,1,0]=4 65 B19R2.14492 O=Cc1ncccc1Sc2ccccc2C(=O)O 62a_100011934733_100000734275 [1,0,1,0,0,0|1,1,0]=4 66 B19R2.14492 O=Cc1ncccc1Sc2ccccc2C(=O)O 62a_202125556159_100011934733 [1,0,1,0,0,0|1,1,0]=4 67 B19R2.3257 C=Cc1cccc(c1)c2cccc(c2O)C(=O)C 271570a_100010046461_100009815558 [1,0,1,0,0,0|2,0,0]=4 68 B19R2.3257 CC(=O)c1cccc(c1C)c2cccc(c2)C=O 271570a_100000039908_100012706834 [1,0,1,0,0,0|2,0,0]=4 69 B19R2.3257 CC(=O)c1cccc(c1F)c2cccc(c2)C=O 271570a_100000039908_100012355707 [1,0,1,0,0,0|2,0,0]=4 70 B19R2.3257 CC(=O)c1cccc(c1F)c2cccc(c2)C=O 271570a_100000049449_100000014684 [1,0,1,0,0,0|2,0,0]=4 71 B19R2.3257 CC(=O)c1cccc(c1O)c2cccc(c2)C=O 271570a_100000039908_100009815558 [1,0,1,0,0,0|1,0,0]=3 72 B19R2.3257 CC(=O)c1cccc(c1O)c2cccc(c2)CO 271570a_100011830409_100009815558 [1,0,1,0,0,0|1,0,1]=4 73 B19R2.3257 CC(=O)c1cccc(c1O)c2ccnc(c2)C=O 271570a_100010248655_100009815558 [1,0,1,0,0,0|2,0,0]=4 74 B19R2.3257 CC(=O)c1cccc(c1O)c2cncc(c2)C=O 271570a_100010138477_100009815558 [1,0,1,0,0,0|2,0,0]=4 75 B19R2.3257 Cc1c(cccc1c2cccc(c2)C=O)C(=O)N 271570a_100000039908_200012298201 [1,0,1,0,0,0|2,0,0]=4 76 B19R2.3257 NC(=O)c1cccc(c1F)c2cccc(c2)C=O 271570a_100000039908_100012351131 [1,0,1,0,0,0|2,0,0]=4 77 B19R2.3257 NC(=O)c1cccc(c1N)c2cccc(c2)C=O 271570a_100000039908_100010144993 [1,0,1,0,0,0|2,0,0]=4 78 B19R2.3297 CC(=O)c1cc(ccn1)c2cccc(c2O)C=O 271570a_100010218428_100000737635 [1,0,1,0,0,0|2,0,0]=4 79 B19R2.3297 CC(=O)c1cccc(c1)c2cccc(c2C)C=O 271570a_100000067831_100012179384 [1,0,1,0,0,0|2,0,0]=4 80 B19R2.3297 CC(=O)c1cccc(c1)c2cccc(c2F)C=O 271570a_100000067831_100000766533 [1,0,1,0,0,0|2,0,0]=4 81 B19R2.3297 CC(=O)c1cccc(c1)c2cccc(c2F)C=O 271570a_100010090736_100000210093 [1,0,1,0,0,0|2,0,0]=4 82 B19R2.3297 CC(=O)c1cccc(c1)c2cccc(c2N)C=O 271570a_100000067831_100010144990 [1,0,1,0,0,0|2,0,0]=4 83 B19R2.3297 CC(=O)c1cccc(c1)c2cccc(c2O)C=O 271570a_100000067831_100000737635 [1,0,1,0,0,0|1,0,0]=3 84 B19R2.3297 CC(=O)c1cncc(c1)c2cccc(c2O)C=O 271570a_100000099518_100000737635 [1,0,1,0,0,0|2,0,0]=4 85 B19R2.3297 CC(O)c1cccc(c1)c2cccc(c2O)C=O 271570a_100000117165_100000737635 [1,0,1,0,0,0|1,0,1]=4 86 B19R2.3297 CS(=O)c1cccc(c1)c2cccc(c2O)C=O 271570a_100010046206_100000737635 [1,0,1,0,0,0|2,0,0]=4 87 B19R2.3297 Cc1c(cccc1c2cccc(c2)C(=O)N)C=O 271570a_100000067779_100012179384 [1,0,1,0,0,0|2,0,0]=4 88 B19R2.3297 NC(=O)c1cccc(c1)c2cccc(c2F)C=O 271570a_100000067779_100000766533 [1,0,1,0,0,0|2,0,0]=4 89 B19R2.3297 NC(=O)c1cccc(c1)c2cccc(c2F)C=O 271570a_100010090736_100000162208 [1,0,1,0,0,0|2,0,0]=4 90 B19R2.3297 NC(=O)c1cccc(c1)c2cccc(c2N)C=O 271570a_100000067779_100010144990 [1,0,1,0,0,0|2,0,0]=4 91 B19R2.3297 NC(=O)c1cccc(c1)c2cccc(c2O)C=O 271570a_100000067779_100000737635 [1,0,1,0,0,0|1,0,0]=3 92 B19R2.3297 NC(=O)c1cncc(c1)c2cccc(c2O)C=O 271570a_100000070206_100000737635 [1,0,1,0,0,0|2,0,0]=4 93 B19R2.3297 NC(=S)c1cccc(c1)c2cccc(c2O)C=O 271570a_100137510062_100000737635 [1,0,1,0,0,0|1,1,0]=4 94 B19R2.3297 O=Cc1cccc(c1O)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100000737635 [1,0,1,0,0,0|1,0,1]=4 95 B19R2.8796 CC(=O)c1cccc(c1)c2cccc(c2)C(=O)C 271570a_100000067831_100000210093 [1,0,1,0,0,0|2,0,0]=4 96 B19R2.8796 CC(=O)c1cccc(c1)c2cccc(c2)C(=O)N 271570a_100000067779_100000210093 [1,0,1,0,0,0|2,0,0]=4 97 B19R2.8796 CC(=O)c1cccc(c1)c2cccc(c2)C(=O)N 271570a_100000067831_100000162208 [1,0,1,0,0,0|2,0,0]=4 98 B19R2.8796 NC(=O)c1cccc(c1)c2cccc(c2)C(=O)N 271570a_100000067779_100000162208 [1,0,1,0,0,0|2,0,0]=4 99 B21R3.2944 CC(=O)c1cccc(c1)c2cccc3c2COC3=O 271570a_100000067831_100010167076 [0,0,1,1,0,0|2,0,0]=4 100 B21R3.2944 CC(=O)c1cccc(c1)c2cccc3c2OCC3=O 271570a_100000067831_100011230590 [0,0,1,1,0,0|2,0,0]=4 101 B21R3.2944 NC(=O)c1cccc(c1)c2cccc3c2COC3=O 271570a_100000067779_100010167076 [0,0,1,1,0,0|2,0,0]=4 102 B21R3.2944 NC(=O)c1cccc(c1)c2cccc3c2OCC3=O 271570a_100000067779_100011230590 [0,0,1,1,0,0|2,0,0]=4 103 B19R2.8841 CC(=O)c1ccccc1c2ccccc2C(=O)C 271570a_100010158976_100000751169 [0,0,1,0,1,0|2,0,0]=4 104 B19R2.8841 CC(=O)c1ccccc1c2ccccc2C(=O)N 271570a_100000041535_100000751169 [0,0,1,0,1,0|2,0,0]=4 105 B19R2.8841 CC(=O)c1ccccc1c2ccccc2C(=O)N 271570a_100010158976_100000162227 [0,0,1,0,1,0|2,0,0]=4 106 B19R2.8841 NC(=O)c1ccccc1c2ccccc2C(=O)N 271570a_100000041535_100000162227 [0,0,1,0,1,0|2,0,0]=4