0 B22R2.34807020 CC(=O)OCC(O)COc1cccc2c1oc(c2)C(=O)C 34a_100000036376_200000139349 [0,0,0,0,0,0|2,0,1]=3 1 B22R2.34807020 CC(=O)OCC(O)COc1cccc2c1oc(c2)C(=O)C 7a_100000036376_200000139349 [0,0,0,0,0,0|2,0,1]=3 2 B22R2.34807020 CC(=O)OCC(O)CSc1cccc2c1oc(c2)C(=O)C 62a_200000139349_100011280056 [0,0,0,0,0,0|2,1,1]=4 3 B22R2.34807020 CC(=O)SCC(C)COc1cccc2c1oc(c2)C(=O)C 34a_100000036376_200000116872 [0,0,0,0,0,0|3,0,1]=4 4 B22R2.34807020 CC(=O)SCC(C)COc1cccc2c1oc(c2)C(=O)C 7a_100000036376_200000116872 [0,0,0,0,0,0|3,0,1]=4 5 B22R2.34807020 CC(=O)c1cc2cccc(c2o1)OCC(=O)NCC(C)C 34a_100000036376_100000183291 [0,0,0,0,0,0|2,0,2]=4 6 B22R2.34807020 CC(=O)c1cc2cccc(c2o1)OCC(=O)NCC(C)C 7a_100000036376_100000183291 [0,0,0,0,0,0|2,0,2]=4 7 B21R2.4806529 CC(=O)CCCCOc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100009817362 [1,0,0,0,0,0|2,0,1]=4 8 B21R2.4806529 CC(=O)CCCCOc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100000735457 [1,0,0,0,0,0|2,0,1]=4 9 B21R2.4806529 CC(=O)OCCCOc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100000042594 [1,0,0,0,0,0|2,0,1]=4 10 B21R2.4806529 CC(=O)OCCCOc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100000042594 [1,0,0,0,0,0|2,0,1]=4 11 B21R2.4806529 CC(=O)SCCCOc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100000038929 [1,0,0,0,0,0|2,0,1]=4 12 B21R2.4806529 CC(=O)SCCCOc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100000038929 [1,0,0,0,0,0|2,0,1]=4 13 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)OCCCCC(C)C 34a_100000036376_100011216152 [1,0,0,0,0,0|1,0,0]=2 14 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)OCCCCC(C)C 7a_100000036376_100011216152 [1,0,0,0,0,0|1,0,0]=2 15 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)OCCCOC(=S)C 34a_100000036376_200135323944 [1,0,0,0,0,0|2,0,1]=4 16 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)OCCCOC(=S)C 7a_100000036376_200135323944 [1,0,0,0,0,0|2,0,1]=4 17 B21R2.4806529 CC(=O)c1cc2cccc(c2o1)SCCCCC(C)C 62a_100011216152_100011280056 [1,0,0,0,0,0|1,1,0]=3 18 B23R3.19343535 CC(=O)c1cc2cccc(c2o1)OC[C@H]3COC(O3)(C)C 7a_100000036376_100015422573 [0,0,0,1,0,0|1,0,0]=2 19 B23R3.19343535 CC(=O)c1cc2cccc(c2o1)SCC3COC(O3)(C)C 62a_100000198056_100011280056 [0,0,0,1,0,0|1,1,0]=3 20 B23R3.19343535 CC(=O)c1cc2cccc(c2o1)SC[C@H]3COC(O3)(C)C 62a_100015422573_100011280056 [0,0,0,1,0,0|1,1,0]=3 21 B21R2.8011990 CC(=O)c1cc2cccc(c2o1)CN(C)CCC(C)C 26a_100000742789_100000036376 [0,0,0,0,1,0|3,0,0]=4 22 B21R2.8011990 CC(=O)c1cc2cccc(c2o1)OC(C)CCC(C)C 34a_100000036376_100011261404 [0,0,0,0,1,0|2,0,0]=3 23 B21R2.8011990 CC(=O)c1cc2cccc(c2o1)SC(C)CCC(C)C 62a_100011261404_100011280056 [0,0,0,0,1,0|2,1,0]=4 24 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)OCC(=O)NC(C)C 34a_100000036376_100000183996 [0,0,0,0,1,0|0,0,2]=3 25 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)OCC(=O)NC(C)C 7a_100000036376_100000183996 [0,0,0,0,1,0|0,0,2]=3 26 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)OCC(=O)OC(C)C 34a_100000036376_100011215430 [0,0,0,0,1,0|1,0,2]=4 27 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)OCC(=O)OC(C)C 7a_100000036376_100011215430 [0,0,0,0,1,0|1,0,2]=4 28 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)OCC(C)CN(C)C 7a_100000036376_100015348159 [0,0,0,0,1,0|2,0,0]=3 29 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)SCC(=O)NC(C)C 62a_100000183996_100011280056 [0,0,0,0,1,0|0,1,2]=4 30 B21R2.19884427 CC(=O)c1cc2cccc(c2o1)SCC(C)CN(C)C 62a_100015348159_100011280056 [0,0,0,0,1,0|2,1,0]=4 31 B20R2.2051881 CC(=O)c1cc2cccc(c2o1)OC[C@@H](O)CC#N 7a_100000036376_100000001066 [2,0,0,0,0,0|1,0,1]=4 32 B20R2.2051881 CCCC(=O)COc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100000747444 [2,0,0,0,0,0|0,0,2]=4 33 B20R2.2051881 CCCC(C)COc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100011216630 [2,0,0,0,0,0|1,0,0]=3 34 B20R2.2051881 CCCC(C)COc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100011216630 [2,0,0,0,0,0|1,0,0]=3 35 B20R2.2051881 CCCC(C)CSc1cccc2c1oc(c2)C(=O)C 62a_100011216630_100011280056 [2,0,0,0,0,0|1,1,0]=4 36 B20R2.2051881 CCNC(=O)COc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100000183381 [2,0,0,0,0,0|0,0,2]=4 37 B20R2.2051881 CCNC(=O)COc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100000183381 [2,0,0,0,0,0|0,0,2]=4 38 B20R2.2051881 COCC(O)COc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100011215053 [2,0,0,0,0,0|1,0,0]=3 39 B20R2.2051881 COCC(O)COc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100011215053 [2,0,0,0,0,0|1,0,0]=3 40 B20R2.2051881 COCC(O)CSc1cccc2c1oc(c2)C(=O)C 62a_100011215053_100011280056 [2,0,0,0,0,0|1,1,0]=4 41 B20R2.2326052 CC(=O)c1cc2cccc(c2o1)OCCCCCF 34a_100000036376_100000729378 [2,0,0,0,0,0|2,0,0]=4 42 B20R2.2326052 CC(=O)c1cc2cccc(c2o1)OCCCCCF 7a_100000036376_100000729378 [2,0,0,0,0,0|2,0,0]=4 43 B20R2.2326052 CC(=O)c1cc2cccc(c2o1)OCCCCCO 34a_100000036376_100000746330 [2,0,0,0,0,0|2,0,0]=4 44 B20R2.2326052 CC(=O)c1cc2cccc(c2o1)OCCCCCO 7a_100000036376_100000746330 [2,0,0,0,0,0|2,0,0]=4 45 B20R2.2326052 CC/C=C\CCOc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100015370543 [2,0,0,0,0,0|1,0,1]=4 46 B20R2.2326052 CC/C=C\CCOc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100015370543 [2,0,0,0,0,0|1,0,1]=4 47 B20R2.2326052 CCCCCCOc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100000210314 [2,0,0,0,0,0|1,0,0]=3 48 B20R2.2326052 CCCCCCOc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100000210314 [2,0,0,0,0,0|1,0,0]=3 49 B20R2.2326052 CCCCCCSc1cccc2c1oc(c2)C(=O)C 62a_100000210314_100011280056 [2,0,0,0,0,0|1,1,0]=4 50 B20R2.2326052 CCCCOCOc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100011995733 [2,0,0,0,0,0|2,0,0]=4 51 B20R2.2326052 CCCOCCOc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100011215938 [2,0,0,0,0,0|2,0,0]=4 52 B20R2.2326052 CCCOCCOc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100011215938 [2,0,0,0,0,0|2,0,0]=4 53 B20R2.2326052 CCOCCCOc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100012232248 [2,0,0,0,0,0|1,0,0]=3 54 B20R2.2326052 CCOCCCOc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100012232248 [2,0,0,0,0,0|1,0,0]=3 55 B20R2.2326052 CCOCCCSc1cccc2c1oc(c2)C(=O)C 62a_100012232248_100011280056 [2,0,0,0,0,0|1,1,0]=4 56 B20R2.2326052 COCCCCOc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100000755781 [2,0,0,0,0,0|2,0,0]=4 57 B20R2.2326052 COCCCCOc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100000730899 [2,0,0,0,0,0|2,0,0]=4 58 B22R2.7280648 COC(=O)C[C@@H](O)COc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100000754131 [1,1,0,0,0,0|2,0,0]=4 59 B22R2.7280648 COC(=O)C[C@@H](O)COc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100000754131 [1,1,0,0,0,0|2,0,0]=4 60 B22R2.36119027 CCCCC(CC)COc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100000211942 [1,1,0,0,0,0|2,0,0]=4 61 B22R2.36119027 CCCCC(CC)COc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100000211942 [1,1,0,0,0,0|2,0,0]=4 62 B22R2.6524997 CC(=O)c1cc2cccc(c2o1)OCCCC(=O)N(C)C 7a_100000036376_100000737642 [1,1,0,0,0,0|2,0,0]=4 63 B22R2.48526554 CC(=O)c1cc2cccc(c2o1)OCCC(=O)NC(C)C 7a_100000036376_100000737564 [1,1,0,0,0,0|0,0,1]=3 64 B22R2.48526554 CC(=O)c1cc2cccc(c2o1)OCCC(=O)OC(C)C 7a_100000036376_100000760027 [1,1,0,0,0,0|1,0,1]=4 65 B22R2.48526554 CC(=O)c1cc2cccc(c2o1)SCCC(=O)NC(C)C 62a_100000737564_100011280056 [1,1,0,0,0,0|0,1,1]=4 66 B22R2.34765886 CC(=O)c1cc2cccc(c2o1)OC(C)C(=O)NC(C)C 34a_100000036376_100000195394 [0,1,0,0,1,0|1,0,1]=4 67 B22R2.34765886 CC(=O)c1cc2cccc(c2o1)OC(C)C(=O)NC(C)C 7a_100000036376_100000195394 [0,1,0,0,1,0|1,0,1]=4 68 B22R2.48423141 CC(=O)c1cc2cccc(c2o1)OC(C)(C)CCC(C)C 34a_100000036376_200000037585 [0,1,0,0,1,0|2,0,0]=4 69 B22R2.6524990 CC(=O)c1cc2cccc(c2o1)OCC(=O)NC(C)(C)C 34a_100000036376_100000182746 [0,1,0,0,1,0|0,0,2]=4 70 B22R2.6524990 CC(=O)c1cc2cccc(c2o1)OCC(=O)NC(C)(C)C 7a_100000036376_100000182746 [0,1,0,0,1,0|0,0,2]=4 71 B22R2.6524990 CC(=O)c1cc2cccc(c2o1)OCC(O)C[N+](C)(C)C 34a_100000036376_100000032816 [0,1,0,0,1,0|1,0,0]=3 72 B22R2.6524990 CC(=O)c1cc2cccc(c2o1)OCC(O)C[N+](C)(C)C 7a_100000036376_100000032816 [0,1,0,0,1,0|1,0,0]=3 73 B22R2.6524990 CC(=O)c1cc2cccc(c2o1)SCC(O)C[N+](C)(C)C 62a_100000032816_100011280056 [0,1,0,0,1,0|1,1,0]=4 74 B22R2.6525006 CC(=O)c1cc2cccc(c2o1)OCC(=O)N(C)C(C)C 34a_100000036376_100000230190 [0,1,0,0,1,0|0,0,2]=4 75 B22R2.6525006 CC(=O)c1cc2cccc(c2o1)OCC(=O)N(C)C(C)C 7a_100000036376_100000230190 [0,1,0,0,1,0|0,0,2]=4 76 B22R3.344060 CC(=O)c1cc2cccc(c2o1)OC3CCCCC3F 34a_100000036376_100015423560 [1,0,0,1,0,0|2,0,0]=4 77 B22R3.344060 CC(=O)c1cc2cccc(c2o1)OC3CCCCC3O 34a_100000036376_100000038908 [1,0,0,1,0,0|1,0,0]=3 78 B22R3.344060 CC(=O)c1cc2cccc(c2o1)SC3CCCCC3O 62a_100000038908_100011280056 [1,0,0,1,0,0|1,1,0]=4 79 B22R3.783100 CC(=O)c1cc2cccc(c2o1)OCC3CCCCC3 34a_100000036376_100000211423 [1,0,0,1,0,0|2,0,0]=4 80 B22R3.783100 CC(=O)c1cc2cccc(c2o1)OCC3CCCCC3 7a_100000036376_100000211423 [1,0,0,1,0,0|2,0,0]=4 81 B22R3.783100 CC(=O)c1cc2cccc(c2o1)OCC3CCCCO3 34a_100000036376_100000211543 [1,0,0,1,0,0|1,0,0]=3 82 B22R3.783100 CC(=O)c1cc2cccc(c2o1)OCC3CCCCO3 7a_100000036376_100000211543 [1,0,0,1,0,0|1,0,0]=3 83 B22R3.783100 CC(=O)c1cc2cccc(c2o1)OCC3CCCOC3 34a_100000036376_100000741521 [1,0,0,1,0,0|2,0,0]=4 84 B22R3.783100 CC(=O)c1cc2cccc(c2o1)OCC3CCCOC3 7a_100000036376_100000741521 [1,0,0,1,0,0|2,0,0]=4 85 B22R3.783100 CC(=O)c1cc2cccc(c2o1)SCC3CCCCO3 62a_100000211543_100011280056 [1,0,0,1,0,0|1,1,0]=4 86 B22R3.5274146 CC(=O)c1cc2cccc(c2o1)OCC3CNC(=O)O3 34a_100000036376_100000181169 [1,0,0,1,0,0|1,0,1]=4 87 B22R3.5274146 CC(=O)c1cc2cccc(c2o1)OCC3CNC(=O)O3 7a_100000036376_100000181169 [1,0,0,1,0,0|1,0,1]=4 88 B22R3.228971 CC(=O)c1cc2cccc(c2o1)OC3CCC(CC3)C 34a_100000036376_200011216234 [0,0,0,1,1,0|2,0,0]=4 89 B24R3.28790262 CC(=O)c1cc2cccc(c2o1)CNC[C@H]3COC(O3)(C)C 26a_100015982057_100000036376 [0,0,0,1,0,1|2,0,0]=4 90 B24R3.28562250 CC(=O)c1cc2cccc(c2o1)OCC3CCN(C3)C(C)C 34a_100000036376_100015187125 [0,0,0,1,0,1|1,0,0]=3 91 B24R3.28562250 CC(=O)c1cc2cccc(c2o1)SCC3CCN(C3)C(C)C 62a_100015187125_100011280056 [0,0,0,1,0,1|1,1,0]=4 92 B24R3.2508834 COC1CCC(CC1)COc2cccc3c2oc(c3)C(=O)C 34a_100000036376_100013032858 [0,1,0,1,0,0|2,0,0]=4 93 B24R3.2508834 COC1CCC(CC1)COc2cccc3c2oc(c3)C(=O)C 7a_100000036376_100013032858 [0,1,0,1,0,0|2,0,0]=4 94 B20R2.2009753 CCCCC(C)Oc1cccc2c1oc(c2)C(=O)C 34a_100000036376_200011215066 [1,0,0,0,1,0|2,0,0]=4 95 B20R2.2009753 CCCCC(C)Oc1cccc2c1oc(c2)C(=O)C 7a_100000036376_200011215066 [1,0,0,0,1,0|2,0,0]=4 96 B20R2.753800 CC(=O)CCCOc1cccc2c1oc(c2)C(=O)C 34a_100000036376_100000685027 [1,0,0,0,1,0|1,0,1]=4 97 B20R2.753800 CC(=O)CCCOc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100011215641 [1,0,0,0,1,0|1,0,1]=4 98 B20R2.753800 CC(=O)NCCOc1cccc2c1oc(c2)C(=O)C 7a_100000036376_100000189650 [1,0,0,0,1,0|1,0,1]=4 99 B20R2.753800 CC(=O)c1cc2cccc(c2o1)CNCCC(C)C 26a_100000210545_100000036376 [1,0,0,0,1,0|2,0,0]=4 100 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCC=C(C)C 34a_100000036376_100011217483 [1,0,0,0,1,0|0,0,2]=4 101 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCC=C(C)C 7a_100000036376_100011217483 [1,0,0,0,1,0|0,0,2]=4 102 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCCC(C)C 34a_100000036376_100011214892 [1,0,0,0,1,0|0,0,0]=2 103 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCCC(C)C 7a_100000036376_100011214892 [1,0,0,0,1,0|0,0,0]=2 104 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCCC(C)O 34a_100000036376_200000718107 [1,0,0,0,1,0|1,0,0]=3 105 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCCC(C)O 7a_100000036376_200000718107 [1,0,0,0,1,0|1,0,0]=3 106 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCCN(C)C 7a_100000036376_100000757444 [1,0,0,0,1,0|1,0,0]=3 107 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCOC(C)C 34a_100000036376_100000211751 [1,0,0,0,1,0|1,0,0]=3 108 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCOC(C)C 7a_100000036376_100000211751 [1,0,0,0,1,0|1,0,0]=3 109 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCSC(C)C 34a_100000036376_100000730970 [1,0,0,0,1,0|1,0,0]=3 110 B20R2.753800 CC(=O)c1cc2cccc(c2o1)OCCSC(C)C 7a_100000036376_100000730970 [1,0,0,0,1,0|1,0,0]=3 111 B20R2.753800 CC(=O)c1cc2cccc(c2o1)SCCCC(C)C 62a_100011214892_100011280056 [1,0,0,0,1,0|0,1,0]=3 112 B20R2.753800 CC(=O)c1cc2cccc(c2o1)SCCCC(C)O 62a_200000718107_100011280056 [1,0,0,0,1,0|1,1,0]=4 113 B20R2.753800 CC(=O)c1cc2cccc(c2o1)SCCOC(C)C 62a_100000211751_100011280056 [1,0,0,0,1,0|1,1,0]=4 114 B20R2.753800 CC(=O)c1cc2cccc(c2o1)SCCSC(C)C 62a_100000730970_100011280056 [1,0,0,0,1,0|1,1,0]=4 115 B20R2.7196173 CC(=O)c1cc2cccc(c2o1)CN(C)CC(C)C 26a_100000747067_100000036376 [0,0,0,0,2,0|2,0,0]=4 116 B20R2.7196173 CC(=O)c1cc2cccc(c2o1)OC(C)CC(C)C 34a_100000036376_100000731052 [0,0,0,0,2,0|1,0,0]=3 117 B20R2.7196173 CC(=O)c1cc2cccc(c2o1)OC(C)CC(C)C 7a_100000036376_100000731052 [0,0,0,0,2,0|1,0,0]=3 118 B20R2.7196173 CC(=O)c1cc2cccc(c2o1)SC(C)CC(C)C 62a_100000731052_100011280056 [0,0,0,0,2,0|1,1,0]=4 119 B20R2.768932 CC(=O)c1cc2cccc(c2o1)OCC(=O)C(C)C 34a_100000036376_100000753385 [0,0,0,0,2,0|0,0,2]=4 120 B20R2.768932 CC(=O)c1cc2cccc(c2o1)OCC(=O)C(C)C 7a_100000036376_100000753385 [0,0,0,0,2,0|0,0,2]=4 121 B22R2.8829946 CC(=O)c1cc2cccc(c2o1)OCCCCCC(C)C 34a_100000036376_100000210682 [1,0,0,0,0,1|1,0,0]=3 122 B22R2.8829946 CC(=O)c1cc2cccc(c2o1)OCCCCCC(C)C 7a_100000036376_100000210682 [1,0,0,0,0,1|1,0,0]=3 123 B22R2.8829946 CC(=O)c1cc2cccc(c2o1)SCCCCCC(C)C 62a_100000210682_100011280056 [1,0,0,0,0,1|1,1,0]=4 124 B24R2.91687963 CC(=O)c1cc2cccc(c2o1)OCCC(C)CCCC(C)C 34a_100000036376_100009816328 [0,0,0,0,0,2|2,0,0]=4 125 B24R2.91687963 CC(=O)c1cc2cccc(c2o1)OCCC(C)CCCC(C)C 7a_100000036376_100009816328 [0,0,0,0,0,2|2,0,0]=4