0 B22R2.6164244 Cc1cc(ccc1C(=O)CC(=O)c2ccc(c(c2)O)O)O 1458a_100000692822_100000183813 [0,0,1,0,0,0|1,0,2]=4 1 B22R2.6164244 Cc1cc(ccc1O)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000685612_100009814262 [0,0,1,0,0,0|1,0,2]=4 2 B22R2.6164244 Cc1ccc(c(c1)O)C(=O)CC(=O)c2ccc(c(c2)O)O 1458a_100000212137_100000183813 [0,0,1,0,0,0|1,0,2]=4 3 B22R2.6164244 Cc1ccc(cc1O)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000233767_100009814262 [0,0,1,0,0,0|1,0,2]=4 4 B22R2.6164244 O=C(CC(=O)c1ccc(cc1Br)O)c2ccc(c(c2)O)O 1458a_100012344906_100000183813 [0,0,1,0,0,0|1,0,2]=4 5 B22R2.6164244 O=C(CC(=O)c1ccc(cc1Cl)O)c2ccc(c(c2)O)O 1458a_100000702456_100000183813 [0,0,1,0,0,0|1,0,2]=4 6 B22R2.6164244 O=C(CC(=O)c1ccc(cc1F)O)c2ccc(c(c2)O)O 1458a_100000689029_100000183813 [0,0,1,0,0,0|1,0,2]=4 7 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)Br)c2ccc(c(c2)O)O 1458a_100000744433_100000183813 [0,0,1,0,0,0|1,0,2]=4 8 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)Cl)c2ccc(c(c2)O)O 1458a_100000188622_100000183813 [0,0,1,0,0,0|1,0,2]=4 9 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)F)c2ccc(c(c2)O)O 1458a_100000212155_100009817053 [0,0,1,0,0,0|1,0,2]=4 10 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)F)c2ccc(c(c2)O)O 1458a_100000746061_100000183813 [0,0,1,0,0,0|1,0,2]=4 11 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)I)c2ccc(c(c2)O)O 1458a_100000091984_100000183813 [0,0,1,0,0,0|1,0,2]=4 12 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)Br)O 1458a_100000189672_100009814262 [0,0,1,0,0,0|1,0,2]=4 13 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)Cl)O 1458a_100000212172_200010170092 [0,0,1,0,0,0|1,0,2]=4 14 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)Cl)O 1458a_100000212196_100009814262 [0,0,1,0,0,0|1,0,2]=4 15 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)F)O 1458a_100000185466_100009814262 [0,0,1,0,0,0|1,0,2]=4 16 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)I)O 1458a_100000037485_100009814262 [0,0,1,0,0,0|1,0,2]=4 17 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)O)Br 1458a_100000689001_100009814262 [0,0,1,0,0,0|1,0,2]=4 18 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)O)Cl 1458a_100011933997_100009814262 [0,0,1,0,0,0|1,0,2]=4 19 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)O)F 1458a_100000035894_100009814262 [0,0,1,0,0,0|1,0,2]=4 20 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)O)I 1458a_100000239334_100009814262 [0,0,1,0,0,0|1,0,2]=4 21 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)O)O 1458a_100000212155_100009814262 [0,0,1,0,0,0|0,0,2]=3 22 B22R2.6164244 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)O)O 1458a_100000212172_100000183813 [0,0,1,0,0,0|0,0,2]=3 23 B22R2.8237677 Cc1cc(c(c(c1)O)C(=O)CCc2ccc(c(c2)O)O)O 1458a_100000036929_200010393615 [0,0,1,0,0,0|1,0,2]=4 24 B22R2.8237677 Cc1cc(cc(c1C(=O)CCc2ccc(c(c2)O)O)O)O 1458a_200000061528_200010393615 [0,0,1,0,0,0|1,0,2]=4 25 B22R2.8237677 O=C(NCc1ccc(c(c1)F)O)c2c(cc(cc2O)O)O 527a_100000758358_100000040092 [0,0,1,0,0,0|2,0,1]=4 26 B22R2.8237677 O=C(NCc1ccc(c(c1)O)Cl)c2c(cc(cc2O)O)O 527a_100020636435_100000040092 [0,0,1,0,0,0|2,0,1]=4 27 B22R2.8237677 O=C(NCc1ccc(c(c1)O)F)c2c(cc(cc2O)O)O 527a_100160469508_100000040092 [0,0,1,0,0,0|2,0,1]=4 28 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)O 1458a_100000212099_100009814262 [1,0,1,0,0,0|0,0,2]=4 29 B21R2.97296 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(cc2)O 1458a_100000212172_100009814261 [1,0,1,0,0,0|0,0,2]=4 30 B21R2.97303 O=C(CC(=O)c1ccc(c(c1)O)O)c2ccc(cc2)O 1458a_100000212099_100000183813 [1,0,1,0,0,0|0,0,2]=4 31 B21R2.97303 O=C(CC(=O)c1ccc(c(c1)O)O)c2ccc(cc2)O 1458a_100000212155_100009814261 [1,0,1,0,0,0|0,0,2]=4 32 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)O 1458a_100000183914_100009814262 [1,0,1,0,0,0|0,0,2]=4 33 B21R2.103508 O=C(CC(=O)c1ccc(cc1O)O)c2cccc(c2)O 1458a_100000212172_100009813753 [1,0,1,0,0,0|0,0,2]=4 34 B21R2.142532 O=C(CC(=O)c1ccccc1O)c2ccc(c(c2)O)O 1458a_100000212155_100000188908 [1,0,1,0,0,0|0,0,2]=4 35 B21R2.142532 O=C(CC(=O)c1ccccc1O)c2ccc(c(c2)O)O 1458a_100015234032_100000183813 [1,0,1,0,0,0|0,0,2]=4 36 B21R2.4619134 O=C(CCc1ccc(c(c1)O)O)c2ccc(cc2O)O 1458a_100000212172_200010393615 [1,0,1,0,0,0|0,0,2]=4 37 B21R2.4619134 O=C(CNc1ccc(c(c1)O)O)c2ccc(cc2O)O 34a_100102946323_100009814262 [1,0,1,0,0,0|1,0,1]=4 38 B21R2.4619134 O=C(CSc1ccc(c(c1)O)O)c2ccc(cc2O)O 62a_100009814262_100009813601 [1,0,1,0,0,0|1,0,1]=4 39 B21R2.362231 O=C(NCc1ccc(cc1)O)c2c(cc(cc2O)O)O 527a_100000185549_100000040092 [1,0,1,0,0,0|1,0,1]=4 40 B21R2.3544594 O=C(CCc1ccc(c(c1)O)O)c2c(cccc2O)O 1458a_100000755285_200010393615 [1,0,1,0,0,0|0,0,2]=4 41 B21R2.4586690 O=C(NCc1cccc(c1)O)c2c(cc(cc2O)O)O 527a_100000743036_100000040092 [1,0,1,0,0,0|1,0,1]=4 42 B21R3.397358 Cc1cc(ccc1O)c2ccc3c(cccc3c2)O 271570a_100010081521_100010202202 [2,0,0,0,0,0|2,0,0]=4 43 B21R3.397358 Cc1ccc(cc1O)c2ccc3c(cccc3c2)O 271570a_100000077161_100010202202 [2,0,0,0,0,0|2,0,0]=4 44 B21R3.397358 Nc1cc(ccc1O)c2ccc3c(cccc3c2)O 271570a_106726388170_100010202202 [2,0,0,0,0,0|2,0,0]=4 45 B21R3.397358 Oc1cc(ccc1Cl)c2ccc3c(cccc3c2)O 271570a_100000099754_100010202202 [2,0,0,0,0,0|2,0,0]=4 46 B21R3.397358 Oc1cc(ccc1F)c2ccc3c(cccc3c2)O 271570a_100010081644_100010202202 [2,0,0,0,0,0|2,0,0]=4 47 B21R3.397358 Oc1ccc(cc1Cl)c2ccc3c(cccc3c2)O 271570a_100010204135_100010202202 [2,0,0,0,0,0|2,0,0]=4 48 B21R3.397358 Oc1ccc(cc1F)c2ccc3c(cccc3c2)O 271570a_100010239616_100010202202 [2,0,0,0,0,0|2,0,0]=4 49 B21R3.654077 Cc1cc(ccc1O)c2cc(=O)c3ccccc3[nH]2 271570a_100010081521_100000090176 [2,0,0,0,0,0|2,0,0]=4 50 B21R3.654077 Cc1ccc(cc1O)c2cc(=O)c3ccccc3[nH]2 271570a_100000077161_100000090176 [2,0,0,0,0,0|2,0,0]=4 51 B21R3.654077 Nc1cc(ccc1O)c2cc(=O)c3ccccc3[nH]2 271570a_106726388170_100000090176 [2,0,0,0,0,0|2,0,0]=4 52 B21R3.654077 O=c1cc([nH]c2c1cccc2)c3ccc(c(c3)Cl)O 271570a_100010204135_100000090176 [2,0,0,0,0,0|2,0,0]=4 53 B21R3.654077 O=c1cc([nH]c2c1cccc2)c3ccc(c(c3)F)O 271570a_100010239616_100000090176 [2,0,0,0,0,0|2,0,0]=4 54 B21R3.654077 O=c1cc([nH]c2c1cccc2)c3ccc(c(c3)O)Cl 271570a_100000099754_100000090176 [2,0,0,0,0,0|2,0,0]=4 55 B21R3.654077 O=c1cc([nH]c2c1cccc2)c3ccc(c(c3)O)F 271570a_100010081644_100000090176 [2,0,0,0,0,0|2,0,0]=4 56 B21R3.153049 Cc1cc(ccc1O)c2ccc3ccc(cc3c2)O 271570a_100010081521_100009816537 [2,0,0,0,0,0|2,0,0]=4 57 B21R3.153049 Cc1cc(ccc1O)c2ccc3ccc(cc3n2)O 271570a_100010081521_100000079174 [2,0,0,0,0,0|2,0,0]=4 58 B21R3.153049 Cc1ccc(cc1O)c2ccc3ccc(cc3c2)O 271570a_100000077161_100009816537 [2,0,0,0,0,0|2,0,0]=4 59 B21R3.153049 Cc1ccc(cc1O)c2ccc3ccc(cc3n2)O 271570a_100000077161_100000079174 [2,0,0,0,0,0|2,0,0]=4 60 B21R3.153049 Nc1cc(ccc1O)c2ccc3ccc(cc3c2)O 271570a_106726388170_100009816537 [2,0,0,0,0,0|2,0,0]=4 61 B21R3.153049 Nc1cc(ccc1O)c2ccc3ccc(cc3n2)O 271570a_106726388170_100000079174 [2,0,0,0,0,0|2,0,0]=4 62 B21R3.153049 Oc1ccc2ccc(cc2c1)c3ccc(c(c3)Cl)O 271570a_100010204135_100009816537 [2,0,0,0,0,0|2,0,0]=4 63 B21R3.153049 Oc1ccc2ccc(cc2c1)c3ccc(c(c3)F)O 271570a_100010239616_100009816537 [2,0,0,0,0,0|2,0,0]=4 64 B21R3.153049 Oc1ccc2ccc(cc2c1)c3ccc(c(c3)O)Cl 271570a_100000099754_100009816537 [2,0,0,0,0,0|2,0,0]=4 65 B21R3.153049 Oc1ccc2ccc(cc2c1)c3ccc(c(c3)O)F 271570a_100010081644_100009816537 [2,0,0,0,0,0|2,0,0]=4 66 B21R3.153049 Oc1ccc2ccc(nc2c1)c3ccc(c(c3)Cl)O 271570a_100010204135_100000079174 [2,0,0,0,0,0|2,0,0]=4 67 B21R3.153049 Oc1ccc2ccc(nc2c1)c3ccc(c(c3)F)O 271570a_100010239616_100000079174 [2,0,0,0,0,0|2,0,0]=4 68 B21R3.153049 Oc1ccc2ccc(nc2c1)c3ccc(c(c3)O)Cl 271570a_100000099754_100000079174 [2,0,0,0,0,0|2,0,0]=4 69 B21R3.153049 Oc1ccc2ccc(nc2c1)c3ccc(c(c3)O)F 271570a_100010081644_100000079174 [2,0,0,0,0,0|2,0,0]=4 70 B23R2.720863 O=C(CC(=O)c1ccc(c(c1O)O)O)c2ccc(c(c2)O)O 1458a_100000037941_100000183813 [0,1,1,0,0,0|0,0,2]=4 71 B23R2.1354299 COc1ccc(c(c1)O)C(=O)CC(=O)c2ccc(c(c2)O)O 1458a_100000212123_100000183813 [0,1,1,0,0,0|0,0,2]=4 72 B23R2.3162624 COc1ccc(cc1O)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000766810_100009814262 [0,1,1,0,0,0|0,0,2]=4 73 B23R2.3382915 COc1cc(ccc1O)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000212172_100010206313 [0,1,1,0,0,0|0,0,2]=4 74 B23R2.3382915 COc1cc(ccc1O)C(=O)CC(=O)c2ccc(cc2O)O 1458a_100000687070_100009814262 [0,1,1,0,0,0|0,0,2]=4 75 B23R2.3382915 O=C(CC(=O)c1ccc(cc1O)O)c2ccc(c(c2)CO)O 1458a_100000212172_100010262812 [0,1,1,0,0,0|0,0,2]=4 76 B23R2.8307018 O=C(CC(=O)c1ccc(c(c1Cl)O)O)c2ccc(cc2O)O 1458a_100009910189_100009814262 [0,1,1,0,0,0|0,0,2]=4 77 B23R2.8307018 O=C(CC(=O)c1ccc(c(c1O)O)O)c2ccc(cc2O)O 1458a_100000037941_100009814262 [0,1,1,0,0,0|0,0,2]=4 78 B23R2.11812770 Cc1cc(cc(c1C(=O)CC(=O)c2ccc(c(c2)O)O)O)O 1458a_200000061528_100000183813 [0,1,1,0,0,0|0,0,2]=4 79 B23R2.77858187 O=C(CC(=O)c1cc(c(cc1O)O)Br)c2ccc(c(c2)O)O 1458a_100009813906_100000183813 [0,1,1,0,0,0|0,0,2]=4 80 B23R2.235979586 O=C(CC(=O)c1ccc(cc1O)O)c2cc(c(c(c2)Br)O)O 1458a_200009992764_100009814262 [0,1,1,0,0,0|0,0,2]=4 81 B23R2.235979586 O=C(CC(=O)c1ccc(cc1O)O)c2cc(c(c(c2)Cl)O)O 1458a_200000078382_100009814262 [0,1,1,0,0,0|0,0,2]=4 82 B23R2.235979586 O=C(CC(=O)c1ccc(cc1O)O)c2cc(c(c(c2)O)O)O 1458a_100000212154_100009814262 [0,1,1,0,0,0|0,0,2]=4 83 B23R2.3384767 COc1cc(ccc1O)CNC(=O)c2c(cc(cc2O)O)O 527a_100000185554_100000040092 [0,1,1,0,0,0|1,0,1]=4 84 B23R2.22678440 COc1ccc(cc1O)CNC(=O)c2c(cc(cc2O)O)O 527a_100000740000_100000040092 [0,1,1,0,0,0|1,0,1]=4 85 B21R2.361242 Cc1cc(c(c(c1)O)C(=O)Nc2ccc(c(c2)O)O)O 527a_100102946323_100000036929 [0,0,1,0,1,0|2,0,0]=4 86 B21R2.361242 Cc1cc(ccc1O)NC(=O)c2c(cc(cc2O)O)O 527a_100011218179_100000040092 [0,0,1,0,1,0|2,0,0]=4 87 B21R2.361242 Cc1ccc(cc1O)NC(=O)c2c(cc(cc2O)O)O 527a_100000759471_100000040092 [0,0,1,0,1,0|2,0,0]=4 88 B21R2.361242 O=C(Nc1ccc(c(c1)Br)O)c2c(cc(cc2O)O)O 527a_100011534360_100000040092 [0,0,1,0,1,0|2,0,0]=4 89 B21R2.361242 O=C(Nc1ccc(c(c1)F)O)c2c(cc(cc2O)O)O 527a_100011220035_100000040092 [0,0,1,0,1,0|2,0,0]=4 90 B21R2.361242 O=C(Nc1ccc(c(c1)O)F)c2c(cc(cc2O)O)O 527a_100012017398_100000040092 [0,0,1,0,1,0|2,0,0]=4 91 B21R2.361242 O=C(Nc1ccc(c(c1)O)O)c2c(cc(cc2O)O)O 527a_100102946323_100000040092 [0,0,1,0,1,0|1,0,0]=3 92 B23R2.8319573 O=C(CC(=O)c1ccc(cc1O)O)Cc2ccc(c(c2)O)O 1458a_100000031429_100009814262 [0,0,1,0,0,1|0,0,2]=4 93 B23R2.11813968 O=C(NCCc1ccc(c(c1)O)O)c2c(cc(cc2O)O)O 527a_100000210387_100000040092 [0,0,1,0,0,1|0,0,2]=4 94 B23R2.11814323 Cc1cc(c(c(c1)Cl)NC(=O)C=Cc2ccc(c(c2)O)O)O 22a_100015906060_100011195073 [0,0,1,0,0,1|2,0,0]=4 95 B23R2.11814323 Cc1cc(cc(c1NC(=O)C=Cc2ccc(c(c2)O)O)C)O 22a_100011934200_100011195073 [0,0,1,0,0,1|2,0,0]=4 96 B23R2.11814323 Cc1cc(cc(c1NC(=O)C=Cc2ccc(c(c2)O)O)O)Br 22a_100010371313_100011195073 [0,0,1,0,0,1|2,0,0]=4 97 B23R2.11814323 O=C(C=Cc1ccc(c(c1)O)O)Nc2c(cc(cc2F)Br)O 22a_100015475841_100011195073 [0,0,1,0,0,1|2,0,0]=4 98 B23R2.11814323 O=C(C=Cc1ccc(c(c1)O)O)Nc2c(cc(cc2F)Cl)O 22a_100010883250_100011195073 [0,0,1,0,0,1|2,0,0]=4 99 B23R2.11814323 O=C(C=Cc1ccc(c(c1)O)O)Nc2c(cc(cc2F)F)O 22a_100011217947_100011195073 [0,0,1,0,0,1|2,0,0]=4