0 B22R3.7026817 NC(=O)COCC1c2ccccc2-c3c1cc(cc3)N 34a_200010591344_100000187820 [0,1,0,0,0,0|3,0,0]=4 1 B22R3.7026817 NC(=O)COCC1c2ccccc2-c3c1cc(cc3)N 7a_200010591344_100000187820 [0,1,0,0,0,0|3,0,0]=4 2 B22R3.7026817 Nc1ccc-2c(c1)C(c3c2cccc3)COCC(=O)[O-] 34a_200010591344_100020667443 [0,1,0,0,0,0|2,0,1]=4 3 B22R3.16272594 CC(CO)OCCn1c2ccccc2c3c1cccc3 34a_100000297428_100012180447 [0,1,0,0,0,0|2,0,1]=4 4 B22R3.16272594 CCC(=O)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000747405 [0,1,0,0,0,0|3,0,0]=4 5 B22R3.16272594 CNC(=O)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000737683 [0,1,0,0,0,0|3,0,0]=4 6 B22R3.16272594 CNC(=O)CCNC1c2ccccc2-c3c1cccc3 2230a_100000738227_100000211598 [0,1,0,0,0,0|3,0,0]=4 7 B22R3.16272594 CNC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000737683 [0,1,0,0,0,0|3,0,0]=4 8 B22R3.16272594 CNC(=O)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000737683 [0,1,0,0,0,0|3,0,0]=4 9 B22R3.16272594 CNC(=O)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000183359 [0,1,0,0,0,0|3,0,0]=4 10 B22R3.16272594 CNC(=O)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000183359 [0,1,0,0,0,0|3,0,0]=4 11 B22R3.16272594 CNC(=O)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000183359 [0,1,0,0,0,0|3,0,0]=4 12 B22R3.16272594 CNC(=O)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000183359 [0,1,0,0,0,0|3,0,0]=4 13 B22R3.16272594 COC(=O)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000204255 [0,1,0,0,0,0|2,0,0]=3 14 B22R3.16272594 COC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000204255 [0,1,0,0,0,0|2,0,0]=3 15 B22R3.16272594 COC(=O)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000204255 [0,1,0,0,0,0|2,0,0]=3 16 B22R3.16272594 COC(=O)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000747449 [0,1,0,0,0,0|2,0,0]=3 17 B22R3.16272594 COC(=O)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000747449 [0,1,0,0,0,0|2,0,0]=3 18 B22R3.16272594 COC(=O)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000747449 [0,1,0,0,0,0|2,0,0]=3 19 B22R3.16272594 COC(=O)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000747449 [0,1,0,0,0,0|2,0,0]=3 20 B22R3.16272594 COC(=O)OCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000139417 [0,1,0,0,0,0|3,0,0]=4 21 B22R3.23383988 CC(=O)C(C)COC1c2ccccc2-c3c1cccc3 7a_100000032740_100000211598 [0,1,0,0,0,0|3,0,0]=4 22 B22R3.23383988 CC(=O)C(C)NCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100009814033 [0,1,0,0,0,0|3,0,0]=4 23 B22R3.23383988 CC(=O)C(C)OCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000179758 [0,1,0,0,0,0|3,0,0]=4 24 B22R3.23383988 CC(CNC1c2ccccc2-c3c1cccc3)C(=O)O 269956a_100000749485_100000211598 [0,1,0,0,0,0|2,0,0]=3 25 B22R3.23383988 CC(NCC1c2ccccc2-c3c1cccc3)C(=O)N 2230a_100016995487_100000702099 [0,1,0,0,0,0|3,0,0]=4 26 B22R3.23383988 CC(NCC1c2ccccc2-c3c1cccc3)C(=O)N 34a_100016995487_100000702099 [0,1,0,0,0,0|3,0,0]=4 27 B22R3.23383988 CC(OCC1c2ccccc2-c3c1cccc3)C(=O)N 34a_100011215202_100000702099 [0,1,0,0,0,0|3,0,0]=4 28 B22R3.23383988 CC(OCC1c2ccccc2-c3c1cccc3)C(=O)N 7a_100011215202_100000702099 [0,1,0,0,0,0|3,0,0]=4 29 B22R3.23383988 NC(=O)C(F)NCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100009813875 [0,1,0,0,0,0|3,0,0]=4 30 B22R3.23383988 NC(=O)C(F)NCC1c2ccccc2-c3c1cccc3 34a_100016995487_100009813875 [0,1,0,0,0,0|3,0,0]=4 31 B22R3.23383988 NC(=O)C(F)OCC1c2ccccc2-c3c1cccc3 34a_100011215202_100009813875 [0,1,0,0,0,0|3,0,0]=4 32 B22R3.23383988 NC(=O)C(F)OCC1c2ccccc2-c3c1cccc3 7a_100011215202_100009813875 [0,1,0,0,0,0|3,0,0]=4 33 B22R3.23383988 O=C(O)C(F)CNC1c2ccccc2-c3c1cccc3 269956a_100000084737_100000211598 [0,1,0,0,0,0|2,0,0]=3 34 B22R3.23383988 O=C([O-])C(F)NCC1c2ccccc2-c3c1cccc3 34a_100016995487_100020610796 [0,1,0,0,0,0|2,0,1]=4 35 B22R3.23383988 O=C([O-])C(F)OCC1c2ccccc2-c3c1cccc3 34a_100011215202_100020610796 [0,1,0,0,0,0|2,0,1]=4 36 B22R3.25163314 CN(CCC(=O)N)C1c2ccccc2-c3c1cccc3 2230a_100000730477_100000211598 [0,1,0,0,0,0|3,0,0]=4 37 B22R3.25163314 C[C@@H](OCC(=O)N)C1c2ccccc2-c3c1cccc3 34a_200102646376_100000187820 [0,1,0,0,0,0|3,0,0]=4 38 B22R3.25163314 C[C@@H](OCC(=O)N)C1c2ccccc2-c3c1cccc3 7a_200102646376_100000187820 [0,1,0,0,0,0|3,0,0]=4 39 B22R3.25163314 C[C@@H](OCC(=O)[O-])C1c2ccccc2-c3c1cccc3 34a_200102646376_100020667443 [0,1,0,0,0,0|2,0,1]=4 40 B22R3.41064905 C=C(C)CC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000748629 [0,1,0,0,0,0|2,0,1]=4 41 B22R3.41064905 C=C(F)CC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100009893438 [0,1,0,0,0,0|2,0,1]=4 42 B22R3.41064905 CC(O)CC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100011218427 [0,1,0,0,0,0|1,0,2]=4 43 B22R3.41064905 NC(=O)CC(=O)CC1c2ccccc2-c3c1cccc3 1458a_100000011082_100000187820 [0,1,0,0,0,0|2,0,1]=4 44 B22R3.41064905 NC(=O)CC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000187820 [0,1,0,0,0,0|1,0,1]=3 45 B22R3.41064905 O=C(Cn1c2ccccc2c3c1cccc3)C[N+](=O)[O-] 1458a_100000293892_100000761209 [0,1,0,0,0,0|1,0,2]=4 46 B22R3.41064905 O=C([O-])CC(=O)CC1c2ccccc2-c3c1cccc3 1458a_100000011082_100020667443 [0,1,0,0,0,0|1,0,2]=4 47 B22R3.41064905 O=C([O-])CC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100020667443 [0,1,0,0,0,0|0,0,2]=3 48 B22R3.104858762 CC(=O)CCOC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100000053229 [0,1,0,0,0,0|3,0,0]=4 49 B22R3.104858762 CC1(c2ccccc2-c3c1cccc3)OCCC(=O)N 34a_100000075291_100000731001 [0,1,0,0,0,0|3,0,0]=4 50 B22R3.104858762 CC1(c2ccccc2-c3c1cccc3)OCCC(=O)N 7a_100000075291_100000744528 [0,1,0,0,0,0|3,0,0]=4 51 B22R3.12316512 C=C(C)CCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000730704 [0,0,0,0,0,1|3,0,0]=4 52 B22R3.12316512 C=C(C)CCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000730704 [0,0,0,0,0,1|3,0,0]=4 53 B22R3.12316512 C=C(C)CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000730704 [0,0,0,0,0,1|3,0,0]=4 54 B22R3.12316512 C=C(C)CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000730704 [0,0,0,0,0,1|3,0,0]=4 55 B22R3.12316512 C=C(C)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000748629 [0,0,0,0,0,1|2,0,0]=3 56 B22R3.12316512 C=C(F)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100009893438 [0,0,0,0,0,1|2,0,0]=3 57 B22R3.12316512 CC(=O)CCCCn1c2ccccc2c3c1cccc3 1458a_100000070787_100000426982 [0,0,0,0,0,1|1,0,0]=2 58 B22R3.12316512 CC(=O)CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100011215641 [0,0,0,0,0,1|2,0,0]=3 59 B22R3.12316512 CC(=O)CCCOC1c2ccccc2-c3c1cccc3 7a_100000759063_100000211598 [0,0,0,0,0,1|2,0,0]=3 60 B22R3.12316512 CC(=O)CCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100011215641 [0,0,0,0,0,1|2,0,0]=3 61 B22R3.12316512 CC(=O)CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000053229 [0,0,0,0,0,1|2,0,0]=3 62 B22R3.12316512 CC(=O)NCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000189650 [0,0,0,0,0,1|3,0,0]=4 63 B22R3.12316512 CC(=O)NCCNC1c2ccccc2-c3c1cccc3 2230a_100000209853_100000211598 [0,0,0,0,0,1|3,0,0]=4 64 B22R3.12316512 CC(=O)NCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000189650 [0,0,0,0,0,1|3,0,0]=4 65 B22R3.12316512 CC(=O)NCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000189650 [0,0,0,0,0,1|3,0,0]=4 66 B22R3.12316512 CC(=O)OCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100009814007 [0,0,0,0,0,1|3,0,0]=4 67 B22R3.12316512 CC(=O)OCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100009814007 [0,0,0,0,0,1|3,0,0]=4 68 B22R3.12316512 CC(=O)OCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100009813279 [0,0,0,0,0,1|3,0,0]=4 69 B22R3.12316512 CC(=O)OCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100009813279 [0,0,0,0,0,1|3,0,0]=4 70 B22R3.12316512 CC(C)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000210624 [0,0,0,0,0,1|2,0,1]=4 71 B22R3.12316512 CC(O)CCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_200000718107 [0,0,0,0,0,1|2,0,1]=4 72 B22R3.12316512 CC(O)CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_200000718107 [0,0,0,0,0,1|2,0,1]=4 73 B22R3.12316512 CC(O)CCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_200000718107 [0,0,0,0,0,1|2,0,1]=4 74 B22R3.12316512 CC(O)CCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100012276601 [0,0,0,0,0,1|2,0,1]=4 75 B22R3.12316512 CC(O)CCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100012276601 [0,0,0,0,0,1|2,0,1]=4 76 B22R3.12316512 CC(O)CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100012276601 [0,0,0,0,0,1|2,0,1]=4 77 B22R3.12316512 CC(O)CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100012276601 [0,0,0,0,0,1|2,0,1]=4 78 B22R3.12316512 CC(O)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100011218427 [0,0,0,0,0,1|1,0,1]=3 79 B22R3.12316512 CN(C)CCCCn1c2ccccc2c3c1cccc3 2230a_100102631434_100000426982 [0,0,0,0,0,1|3,0,0]=4 80 B22R3.12316512 CN(C)CCCCn1c2ccccc2c3c1cccc3 269982a_100102631434_100000426982 [0,0,0,0,0,1|3,0,0]=4 81 B22R3.12316512 CS(=O)CCCNC1c2ccccc2-c3c1cccc3 2230a_200000753449_100000211598 [0,0,0,0,0,1|3,0,0]=4 82 B22R3.12316512 C[C@@H](O)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100009817552 [0,0,0,0,0,1|1,0,1]=3 83 B22R3.12316512 FC(F)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100011934356 [0,0,0,0,0,1|2,0,1]=4 84 B22R3.12316512 NC(=O)CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100102525003 [0,0,0,0,0,1|2,0,0]=3 85 B22R3.12316512 NC(=O)CCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100102525003 [0,0,0,0,0,1|2,0,0]=3 86 B22R3.12316512 NC(=O)CCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000744528 [0,0,0,0,0,1|2,0,0]=3 87 B22R3.12316512 NC(=O)CCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000731001 [0,0,0,0,0,1|2,0,0]=3 88 B22R3.12316512 NC(=O)CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000731001 [0,0,0,0,0,1|2,0,0]=3 89 B22R3.12316512 NC(=O)CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000744528 [0,0,0,0,0,1|2,0,0]=3 90 B22R3.12316512 NC(=O)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000187820 [0,0,0,0,0,1|1,0,0]=2 91 B22R3.12316512 NC(=O)NCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_200000034859 [0,0,0,0,0,1|3,0,0]=4 92 B22R3.12316512 NC(=O)NCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_200000034859 [0,0,0,0,0,1|3,0,0]=4 93 B22R3.12316512 NC(=O)NCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_200000034859 [0,0,0,0,0,1|3,0,0]=4 94 B22R3.12316512 NC(=O)OCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_200011214921 [0,0,0,0,0,1|3,0,0]=4 95 B22R3.12316512 NC(=O)OCCOC1c2ccccc2-c3c1cccc3 7a_100000766696_100000211598 [0,0,0,0,0,1|3,0,0]=4 96 B22R3.12316512 NC(=O)OCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_200011214921 [0,0,0,0,0,1|3,0,0]=4 97 B22R3.12316512 O=C([O-])COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100020667443 [0,0,0,0,0,1|0,0,1]=2 98 B22R3.12316512 O=[N+]([O-])COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000761209 [0,0,0,0,0,1|1,0,1]=3 99 B22R3.12390641 CC(=O)CCOc1cc2ccccc2c3c1cccc3 7a_100000036577_100000053229 [0,0,0,0,0,1|3,0,0]=4 100 B22R3.12390641 CC(=O)CCSc1nc2ccccc2c3c1cccc3 62a_100000053229_100000028652 [0,0,0,0,0,1|3,0,0]=4 101 B22R3.12390641 NC(=O)CCNc1cc2ccccc2c3c1cccc3 34a_100000029970_100000731001 [0,0,0,0,0,1|3,0,0]=4 102 B22R3.12390641 NC(=O)CCNc1nc2ccccc2c3c1cccc3 27a_100000740010_100000028652 [0,0,0,0,0,1|3,0,0]=4 103 B22R3.12390641 NC(=O)CCOc1cc2ccccc2c3c1cccc3 34a_100000036577_100000731001 [0,0,0,0,0,1|3,0,0]=4 104 B22R3.12390641 NC(=O)CCOc1cc2ccccc2c3c1cccc3 7a_100000036577_100000744528 [0,0,0,0,0,1|3,0,0]=4 105 B22R3.12390641 NC(=O)CCSc1cc2ccccc2c3c1cccc3 62a_100000744528_100009813645 [0,0,0,0,0,1|3,0,0]=4 106 B22R3.12390641 NC(=O)CCSc1nc2ccccc2c3c1cccc3 62a_100000744528_100000028652 [0,0,0,0,0,1|3,0,0]=4 107 B22R3.16182945 CC(=O)CCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000053229 [0,0,0,0,0,1|3,0,0]=4 108 B22R3.16182945 CC(=O)CCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000053229 [0,0,0,0,0,1|3,0,0]=4 109 B22R3.16182945 CC(=O)COCc1c2ccccc2cc3c1cccc3 34a_100000211253_100009992879 [0,0,0,0,0,1|3,0,0]=4 110 B22R3.16182945 NC(=O)CCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000744528 [0,0,0,0,0,1|3,0,0]=4 111 B22R3.16182945 NC(=O)CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000731001 [0,0,0,0,0,1|3,0,0]=4 112 B22R3.16182945 NC(=O)CCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000744528 [0,0,0,0,0,1|3,0,0]=4 113 B22R3.16182945 NC(=O)CCSc1c2ccccc2cc3c1cccc3 62a_100000744528_100000185772 [0,0,0,0,0,1|3,0,0]=4 114 B22R3.16182945 NC(=O)CCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000744528 [0,0,0,0,0,1|3,0,0]=4 115 B22R3.16182945 NC(=O)CNCc1c2ccccc2cc3c1cccc3 2230a_100000711301_100009992879 [0,0,0,0,0,1|3,0,0]=4 116 B22R3.16182945 NC(=O)CNCc1c2ccccc2nc3c1cccc3 2230a_100000711301_100009813545 [0,0,0,0,0,1|3,0,0]=4 117 B22R3.16182945 NC(=O)COCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000187820 [0,0,0,0,0,1|3,0,0]=4 118 B22R3.16182945 NC(=O)COCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000187820 [0,0,0,0,0,1|3,0,0]=4 119 B22R3.16182945 NC(=O)CSCc1c2ccccc2cc3c1cccc3 62a_100000747473_100009992879 [0,0,0,0,0,1|3,0,0]=4 120 B22R3.16182945 NC(=O)CSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000747473 [0,0,0,0,0,1|3,0,0]=4 121 B22R3.16182945 NC(=O)CSCc1c2ccccc2nc3c1cccc3 62a_100009813545_100000747473 [0,0,0,0,0,1|3,0,0]=4 122 B22R3.16182945 O=C(O)CNCc1c2ccccc2cc3c1cccc3 269956a_100016091260_100009992879 [0,0,0,0,0,1|2,0,0]=3 123 B22R3.16182945 O=C([O-])COCc1c2ccccc2cc3c1cccc3 34a_100000025838_100020667443 [0,0,0,0,0,1|2,0,1]=4 124 B22R3.16182945 O=C([O-])CSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100020667443 [0,0,0,0,0,1|2,0,1]=4 125 B22R3.16182945 O=C([O-])CSCc1c2ccccc2cc3c1cccc3 62a_100020667443_100009992879 [0,0,0,0,0,1|2,0,1]=4 126 B22R3.16182945 O=C([O-])CSCc1c2ccccc2nc3c1cccc3 62a_100009813545_100020667443 [0,0,0,0,0,1|2,0,1]=4 127 B21R2.4719 CC(=O)CCCNc1ccccc1c2cccc(c2)C 34a_100020605107_100000685027 [0,1,1,0,0,0|1,0,0]=3 128 B21R2.4719 CC(=O)CCCNc1ccccc1c2cccc(c2)C 7a_100020605107_100011215641 [0,1,1,0,0,0|1,0,0]=3 129 B21R2.4719 CC(=O)NCCNc1ccccc1c2cccc(c2)C 2230a_100020605107_100000189650 [0,1,1,0,0,0|2,0,0]=4 130 B21R2.4719 CC(=O)NCCNc1ccccc1c2cccc(c2)C 7a_100020605107_100000189650 [0,1,1,0,0,0|2,0,0]=4 131 B21R2.4719 CC(=O)OCCNc1ccccc1c2cccc(c2)C 34a_100020605107_100009814007 [0,1,1,0,0,0|2,0,0]=4 132 B21R2.4719 CC(=O)OCCNc1ccccc1c2cccc(c2)C 7a_100020605107_100009814007 [0,1,1,0,0,0|2,0,0]=4 133 B21R2.4719 Cc1cccc(c1)c2ccccc2NCCCC(=O)N 34a_100020605107_100102525003 [0,1,1,0,0,0|1,0,0]=3 134 B21R2.4719 Cc1cccc(c1)c2ccccc2NCCCC(=O)N 7a_100020605107_100102525003 [0,1,1,0,0,0|1,0,0]=3 135 B21R2.4719 Cc1cccc(c1)c2ccccc2NCCCC(C)O 2230a_100020605107_200000718107 [0,1,1,0,0,0|1,0,1]=4 136 B21R2.4719 Cc1cccc(c1)c2ccccc2NCCCC(C)O 34a_100020605107_200000718107 [0,1,1,0,0,0|1,0,1]=4 137 B21R2.4719 Cc1cccc(c1)c2ccccc2NCCCC(C)O 7a_100020605107_200000718107 [0,1,1,0,0,0|1,0,1]=4 138 B21R2.4719 Cc1cccc(c1)c2ccccc2NCCNC(=O)N 2230a_100020605107_200000034859 [0,1,1,0,0,0|2,0,0]=4 139 B21R2.4719 Cc1cccc(c1)c2ccccc2NCCNC(=O)N 7a_100020605107_200000034859 [0,1,1,0,0,0|2,0,0]=4 140 B21R2.4719 Cc1cccc(c1)c2ccccc2NCCOC(=O)N 34a_100020605107_200011214921 [0,1,1,0,0,0|2,0,0]=4 141 B21R2.4719 Cc1cccc(c1)c2ccccc2NCCOC(=O)N 7a_100020605107_200011214921 [0,1,1,0,0,0|2,0,0]=4 142 B21R2.4856 CC(=O)CCCNc1ccccc1c2ccccc2C 34a_100020605195_100000685027 [0,1,1,0,0,0|1,0,0]=3 143 B21R2.4856 CC(=O)CCCOc1ccccc1c2ccccc2C 34a_200011997984_100000685027 [0,1,1,0,0,0|2,0,0]=4 144 B21R2.4856 CC(=O)CCCOc1ccccc1c2ccccc2C 7a_200011997984_100011215641 [0,1,1,0,0,0|2,0,0]=4 145 B21R2.4856 CC(=O)OCCNc1ccccc1c2ccccc2C 34a_100020605195_100009814007 [0,1,1,0,0,0|2,0,0]=4 146 B21R2.4856 Cc1ccccc1c2ccccc2NCCCC(=O)N 34a_100020605195_100102525003 [0,1,1,0,0,0|1,0,0]=3 147 B21R2.4856 Cc1ccccc1c2ccccc2NCCCC(C)O 34a_100020605195_200000718107 [0,1,1,0,0,0|1,0,1]=4 148 B21R2.4856 Cc1ccccc1c2ccccc2NCCOC(=O)N 34a_100020605195_200011214921 [0,1,1,0,0,0|2,0,0]=4 149 B21R2.4856 Cc1ccccc1c2ccccc2OCCCC(=O)N 34a_200011997984_100102525003 [0,1,1,0,0,0|2,0,0]=4 150 B21R2.4856 Cc1ccccc1c2ccccc2OCCCC(=O)N 7a_200011997984_100102525003 [0,1,1,0,0,0|2,0,0]=4 151 B21R2.4884 CC(=O)CCCNc1ccc(cc1c2ccccc2)Cl 34a_100000716729_100000685027 [0,1,1,0,0,0|1,0,0]=3 152 B21R2.4884 CC(=O)CCCNc1ccc(cc1c2ccccc2)Cl 7a_100000716729_100011215641 [0,1,1,0,0,0|1,0,0]=3 153 B21R2.4884 CC(=O)CCCOc1ccc(cc1c2ccccc2)I 34a_100000728419_100000685027 [0,1,1,0,0,0|2,0,0]=4 154 B21R2.4884 CC(=O)CCCOc1ccc(cc1c2ccccc2)I 7a_100000728419_100011215641 [0,1,1,0,0,0|2,0,0]=4 155 B21R2.4884 CC(=O)CCCOc1ccc(cc1c2ccccc2)N 34a_100000687115_100000685027 [0,1,1,0,0,0|2,0,0]=4 156 B21R2.4884 CC(=O)CCCOc1ccc(cc1c2ccccc2)N 7a_100000687115_100011215641 [0,1,1,0,0,0|2,0,0]=4 157 B21R2.4884 CC(=O)CCCSc1ccc(cc1c2ccccc2)N 62a_200010239565_100011215641 [0,1,1,0,0,0|2,0,0]=4 158 B21R2.4884 CC(=O)NCCNc1ccc(cc1c2ccccc2)Cl 7a_100000716729_100000189650 [0,1,1,0,0,0|2,0,0]=4 159 B21R2.4884 CC(=O)OCCNc1ccc(cc1c2ccccc2)Cl 34a_100000716729_100009814007 [0,1,1,0,0,0|2,0,0]=4 160 B21R2.4884 CC(=O)OCCNc1ccc(cc1c2ccccc2)Cl 7a_100000716729_100009814007 [0,1,1,0,0,0|2,0,0]=4 161 B21R2.4884 CC(O)CCCNc1ccc(cc1c2ccccc2)Cl 34a_100000716729_200000718107 [0,1,1,0,0,0|1,0,1]=4 162 B21R2.4884 CC(O)CCCNc1ccc(cc1c2ccccc2)Cl 7a_100000716729_200000718107 [0,1,1,0,0,0|1,0,1]=4 163 B21R2.4884 NC(=O)CCCNc1ccc(cc1c2ccccc2)Cl 34a_100000716729_100102525003 [0,1,1,0,0,0|1,0,0]=3 164 B21R2.4884 NC(=O)CCCNc1ccc(cc1c2ccccc2)Cl 7a_100000716729_100102525003 [0,1,1,0,0,0|1,0,0]=3 165 B21R2.4884 NC(=O)CCCOc1ccc(cc1c2ccccc2)I 34a_100000728419_100102525003 [0,1,1,0,0,0|2,0,0]=4 166 B21R2.4884 NC(=O)CCCOc1ccc(cc1c2ccccc2)I 7a_100000728419_100102525003 [0,1,1,0,0,0|2,0,0]=4 167 B21R2.4884 NC(=O)CCCOc1ccc(cc1c2ccccc2)N 34a_100000687115_100102525003 [0,1,1,0,0,0|2,0,0]=4 168 B21R2.4884 NC(=O)CCCOc1ccc(cc1c2ccccc2)N 7a_100000687115_100102525003 [0,1,1,0,0,0|2,0,0]=4 169 B21R2.4884 NC(=O)CCCSc1ccc(cc1c2ccccc2)N 62a_200010239565_100102525003 [0,1,1,0,0,0|2,0,0]=4 170 B21R2.4884 NC(=O)NCCNc1ccc(cc1c2ccccc2)Cl 7a_100000716729_200000034859 [0,1,1,0,0,0|2,0,0]=4 171 B21R2.4884 NC(=O)OCCNc1ccc(cc1c2ccccc2)Cl 34a_100000716729_200011214921 [0,1,1,0,0,0|2,0,0]=4 172 B21R2.4884 NC(=O)OCCNc1ccc(cc1c2ccccc2)Cl 7a_100000716729_200011214921 [0,1,1,0,0,0|2,0,0]=4 173 B21R2.12948 CC(=O)CCCC(=O)c1ccccc1c2ccccc2 1458a_100000211553_100011215641 [0,1,1,0,0,0|2,0,0]=4 174 B21R2.12948 CC(=O)CCCN(C)c1ccccc1c2ccccc2 269982a_100000745565_100011215641 [0,1,1,0,0,0|1,0,0]=3 175 B21R2.12948 CC(=O)CCCN(C)c1ccccc1c2ccccc2 34a_100000745565_100000685027 [0,1,1,0,0,0|1,0,0]=3 176 B21R2.12948 CC(=O)NCCN(C)c1ccccc1c2ccccc2 2230a_100000745565_100000189650 [0,1,1,0,0,0|2,0,0]=4 177 B21R2.12948 CC(=O)NCCN(C)c1ccccc1c2ccccc2 269982a_100000745565_100000189650 [0,1,1,0,0,0|2,0,0]=4 178 B21R2.12948 CC(=O)OCCN(C)c1ccccc1c2ccccc2 269982a_100000745565_100009814007 [0,1,1,0,0,0|2,0,0]=4 179 B21R2.12948 CC(=O)OCCN(C)c1ccccc1c2ccccc2 34a_100000745565_100009814007 [0,1,1,0,0,0|2,0,0]=4 180 B21R2.12948 CC(O)CCCN(C)c1ccccc1c2ccccc2 2230a_100000745565_200000718107 [0,1,1,0,0,0|1,0,1]=4 181 B21R2.12948 CC(O)CCCN(C)c1ccccc1c2ccccc2 269982a_100000745565_200000718107 [0,1,1,0,0,0|1,0,1]=4 182 B21R2.12948 CC(O)CCCN(C)c1ccccc1c2ccccc2 34a_100000745565_200000718107 [0,1,1,0,0,0|1,0,1]=4 183 B21R2.12948 CN(CCCC(=O)N)c1ccccc1c2ccccc2 269982a_100000745565_100102525003 [0,1,1,0,0,0|1,0,0]=3 184 B21R2.12948 CN(CCCC(=O)N)c1ccccc1c2ccccc2 34a_100000745565_100102525003 [0,1,1,0,0,0|1,0,0]=3 185 B21R2.12948 CN(CCNC(=O)N)c1ccccc1c2ccccc2 2230a_100000745565_200000034859 [0,1,1,0,0,0|2,0,0]=4 186 B21R2.12948 CN(CCNC(=O)N)c1ccccc1c2ccccc2 269982a_100000745565_200000034859 [0,1,1,0,0,0|2,0,0]=4 187 B21R2.12948 CN(CCOC(=O)N)c1ccccc1c2ccccc2 269982a_100000745565_200011214921 [0,1,1,0,0,0|2,0,0]=4 188 B21R2.12948 CN(CCOC(=O)N)c1ccccc1c2ccccc2 34a_100000745565_200011214921 [0,1,1,0,0,0|2,0,0]=4 189 B21R2.12948 NC(=O)CCCC(=O)c1ccccc1c2ccccc2 1458a_100000211553_100102525003 [0,1,1,0,0,0|2,0,0]=4 190 B21R2.12962 NC(=O)CCC(=O)Nc1ccccc1c2ccccc2 22a_100000210918_100011215257 [0,1,1,0,0,0|1,0,1]=4 191 B21R2.19007 CC(=O)CCCNc1ccccc1c2ccc(cc2)C 34a_200020605178_100000685027 [0,1,1,0,0,0|1,0,0]=3 192 B21R2.19007 CC(=O)CCCNc1ccccc1c2ccc(cc2)Cl 34a_100011219812_100000685027 [0,1,1,0,0,0|1,0,0]=3 193 B21R2.19007 CC(=O)CCCNc1ccccc1c2ccc(cc2)F 34a_100011217704_100000685027 [0,1,1,0,0,0|1,0,0]=3 194 B21R2.19007 CC(=O)OCCNc1ccccc1c2ccc(cc2)C 34a_200020605178_100009814007 [0,1,1,0,0,0|2,0,0]=4 195 B21R2.19007 CC(=O)OCCNc1ccccc1c2ccc(cc2)Cl 34a_100011219812_100009814007 [0,1,1,0,0,0|2,0,0]=4 196 B21R2.19007 CC(=O)OCCNc1ccccc1c2ccc(cc2)F 34a_100011217704_100009814007 [0,1,1,0,0,0|2,0,0]=4 197 B21R2.19007 CC(O)CCCNc1ccccc1c2ccc(cc2)Cl 34a_100011219812_200000718107 [0,1,1,0,0,0|1,0,1]=4 198 B21R2.19007 CC(O)CCCNc1ccccc1c2ccc(cc2)F 34a_100011217704_200000718107 [0,1,1,0,0,0|1,0,1]=4 199 B21R2.19007 Cc1ccc(cc1)c2ccccc2NCCCC(=O)N 34a_200020605178_100102525003 [0,1,1,0,0,0|1,0,0]=3 200 B21R2.19007 Cc1ccc(cc1)c2ccccc2NCCCC(C)O 34a_200020605178_200000718107 [0,1,1,0,0,0|1,0,1]=4 201 B21R2.19007 Cc1ccc(cc1)c2ccccc2NCCOC(=O)N 34a_200020605178_200011214921 [0,1,1,0,0,0|2,0,0]=4 202 B21R2.19007 NC(=O)CCCNc1ccccc1c2ccc(cc2)Cl 34a_100011219812_100102525003 [0,1,1,0,0,0|1,0,0]=3 203 B21R2.19007 NC(=O)CCCNc1ccccc1c2ccc(cc2)F 34a_100011217704_100102525003 [0,1,1,0,0,0|1,0,0]=3 204 B21R2.19007 NC(=O)OCCNc1ccccc1c2ccc(cc2)Cl 34a_100011219812_200011214921 [0,1,1,0,0,0|2,0,0]=4 205 B21R2.19007 NC(=O)OCCNc1ccccc1c2ccc(cc2)F 34a_100011217704_200011214921 [0,1,1,0,0,0|2,0,0]=4 206 B21R2.20550 C=CC(=O)OCCNc1ccccc1c2ccccc2 34a_100000210918_100009813456 [0,1,1,0,0,0|2,0,0]=4 207 B21R2.20550 CNC(=O)CCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000741757 [0,1,1,0,0,0|1,0,1]=4 208 B21R2.20550 CNC(=O)CCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000741757 [0,1,1,0,0,0|1,0,1]=4 209 B21R2.20550 CNC(=O)CCCNc1ccccc1c2ccccc2 34a_100000210918_100000741757 [0,1,1,0,0,0|1,0,0]=3 210 B21R2.20550 CNC(=O)CCCNc1ccccc1c2ccncc2 27a_100000740002_100010154595 [0,1,1,0,0,0|2,0,0]=4 211 B21R2.20550 CNC(=O)CCCNc1cccnc1c2ccccc2 27a_100000740002_100010138707 [0,1,1,0,0,0|2,0,0]=4 212 B21R2.20550 CNC(=O)CCCOc1ccccc1c2ccccc2 34a_100000210297_100000741757 [0,1,1,0,0,0|2,0,0]=4 213 B21R2.20550 CNC(=O)CCCOc1ccccc1c2ccccc2 7a_100000210297_100000741757 [0,1,1,0,0,0|2,0,0]=4 214 B21R2.20550 CNC(=O)CCCSc1ccccc1c2ccccc2 62a_100000033479_100000741757 [0,1,1,0,0,0|2,0,0]=4 215 B21R2.20550 CNC(=O)CCCSc1ccccc1c2ccccc2 62a_100000741757_100000033479 [0,1,1,0,0,0|2,0,0]=4 216 B21R2.20550 CNC(=O)OCCNc1ccccc1c2ccccc2 34a_100000210918_200011997002 [0,1,1,0,0,0|2,0,0]=4 217 B21R2.20550 COC(=O)/C=C/CNc1ccccc1c2ccccc2 34a_100000210918_100000742655 [0,1,1,0,0,0|0,0,2]=4 218 B21R2.20550 COC(=O)CCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000742333 [0,1,1,0,0,0|0,0,1]=3 219 B21R2.20550 COC(=O)CCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100011218270 [0,1,1,0,0,0|0,0,1]=3 220 B21R2.20550 COC(=O)CCCNc1ccccc1c2ccccc2 34a_100000210918_100000742333 [0,1,1,0,0,0|0,0,0]=2 221 B21R2.20550 COC(=O)CCCOc1ccccc1c2ccccc2 34a_100000210297_100000742333 [0,1,1,0,0,0|1,0,0]=3 222 B21R2.20550 COC(=O)CCCOc1ccccc1c2ccccc2 7a_100000210297_100011218270 [0,1,1,0,0,0|1,0,0]=3 223 B21R2.20550 COC(=O)CCCOc1ccccc1c2ccccn2 34a_100012186605_100000742333 [0,1,1,0,0,0|2,0,0]=4 224 B21R2.20550 COC(=O)CCCOc1ccccc1c2ccccn2 7a_100012186605_100011218270 [0,1,1,0,0,0|2,0,0]=4 225 B21R2.20550 COC(=O)CCCOc1cccnc1c2ccccc2 34a_100011996219_100000742333 [0,1,1,0,0,0|2,0,0]=4 226 B21R2.20550 COC(=O)CCCOc1cccnc1c2ccccc2 7a_100011996219_100011218270 [0,1,1,0,0,0|2,0,0]=4 227 B21R2.20550 COC(=O)CCCSc1ccccc1c2ccccc2 62a_100000033479_100011218270 [0,1,1,0,0,0|1,0,0]=3 228 B21R2.20550 COC(=O)CCCSc1ccccc1c2ccccc2 62a_100011218270_100000033479 [0,1,1,0,0,0|1,0,0]=3 229 B21R2.20550 COC(=O)CCCSc1ccccc1c2ccccn2 62a_100010202516_100011218270 [0,1,1,0,0,0|2,0,0]=4 230 B21R2.20550 COC(=O)CCCSc1ccccc1c2ccccn2 62a_100011218270_100010202516 [0,1,1,0,0,0|2,0,0]=4 231 B21R2.20550 COC(=O)CCCSc1ccccc1c2ccncc2 62a_100010154595_100011218270 [0,1,1,0,0,0|2,0,0]=4 232 B21R2.20550 COC(=O)CCCSc1ccccc1c2ccncc2 62a_100011218270_100010154595 [0,1,1,0,0,0|2,0,0]=4 233 B21R2.20550 COC(=O)CCCSc1cccnc1c2ccccc2 62a_100010138707_100011218270 [0,1,1,0,0,0|2,0,0]=4 234 B21R2.20550 COC(=O)CCCSc1cccnc1c2ccccc2 62a_100011218270_100010138707 [0,1,1,0,0,0|2,0,0]=4 235 B21R2.20550 COC(=O)CCCSc1cnccc1c2ccccc2 62a_100009816686_100011218270 [0,1,1,0,0,0|2,0,0]=4 236 B21R2.20550 COC(=O)CCCSc1cnccc1c2ccccc2 62a_100011218270_100009816686 [0,1,1,0,0,0|2,0,0]=4 237 B21R2.20550 COC(=O)CCNCc1ccccc1c2ccccc2 34a_100000071662_100000742370 [0,1,1,0,0,0|2,0,0]=4 238 B21R2.20550 COC(=O)CCOCc1ccccc1c2ccccc2 34a_100000032370_100000742370 [0,1,1,0,0,0|2,0,0]=4 239 B21R2.20550 COC(=O)CCOCc1ccccc1c2ccccc2 7a_100000032370_100000204255 [0,1,1,0,0,0|2,0,0]=4 240 B21R2.20550 COC(=O)CCSCc1ccccc1c2ccccc2 62a_100000204255_100009813379 [0,1,1,0,0,0|2,0,0]=4 241 B21R2.20550 COC(=O)CCSCc1ccccc1c2ccccc2 62a_100009813379_100000204255 [0,1,1,0,0,0|2,0,0]=4 242 B21R2.20550 O=C(CO)NCCOc1ccccc1c2ccccc2 240690a_100000746045_100000210174 [0,1,1,0,0,0|2,0,0]=4 243 B21R2.20550 O=C(CO)NCCOc1ccccc1c2ccccc2 527a_100000746045_100000210174 [0,1,1,0,0,0|2,0,0]=4 244 B21R2.38819 CC(C)(O)CCCNc1ccccc1c2ccccc2 34a_100000210918_100009888830 [0,1,1,0,0,0|1,0,1]=4 245 B21R2.38819 CS(=O)(=O)CCCNc1ccccc1c2ccccc2 34a_100000210918_100000754308 [0,1,1,0,0,0|1,0,1]=4 246 B21R2.38819 NS(=O)(=O)CCCNc1ccccc1c2ccccc2 34a_100000210918_100000750626 [0,1,1,0,0,0|1,0,1]=4 247 B21R2.38819 O=S(=O)([O-])CCCNc1ccccc1c2ccccc2 34a_100000210918_100009813499 [0,1,1,0,0,0|1,0,1]=4 248 B21R2.108985 CC(=O)CCCNc1cc(ccc1c2ccccc2)C 34a_100012281694_100000685027 [0,1,1,0,0,0|1,0,0]=3 249 B21R2.108985 CC(=O)CCCNc1cc(ccc1c2ccccc2)C 7a_100012281694_100011215641 [0,1,1,0,0,0|1,0,0]=3 250 B21R2.108985 CC(=O)NCCNc1cc(ccc1c2ccccc2)C 7a_100012281694_100000189650 [0,1,1,0,0,0|2,0,0]=4 251 B21R2.108985 CC(=O)OCCNc1cc(ccc1c2ccccc2)C 34a_100012281694_100009814007 [0,1,1,0,0,0|2,0,0]=4 252 B21R2.108985 CC(=O)OCCNc1cc(ccc1c2ccccc2)C 7a_100012281694_100009814007 [0,1,1,0,0,0|2,0,0]=4 253 B21R2.108985 Cc1ccc(c(c1)NCCCC(=O)N)c2ccccc2 34a_100012281694_100102525003 [0,1,1,0,0,0|1,0,0]=3 254 B21R2.108985 Cc1ccc(c(c1)NCCCC(=O)N)c2ccccc2 7a_100012281694_100102525003 [0,1,1,0,0,0|1,0,0]=3 255 B21R2.108985 Cc1ccc(c(c1)NCCCC(C)O)c2ccccc2 34a_100012281694_200000718107 [0,1,1,0,0,0|1,0,1]=4 256 B21R2.108985 Cc1ccc(c(c1)NCCCC(C)O)c2ccccc2 7a_100012281694_200000718107 [0,1,1,0,0,0|1,0,1]=4 257 B21R2.108985 Cc1ccc(c(c1)NCCNC(=O)N)c2ccccc2 7a_100012281694_200000034859 [0,1,1,0,0,0|2,0,0]=4 258 B21R2.108985 Cc1ccc(c(c1)NCCOC(=O)N)c2ccccc2 34a_100012281694_200011214921 [0,1,1,0,0,0|2,0,0]=4 259 B21R2.108985 Cc1ccc(c(c1)NCCOC(=O)N)c2ccccc2 7a_100012281694_200011214921 [0,1,1,0,0,0|2,0,0]=4 260 B21R2.223152 CC(=O)CCCOc1c(cccc1c2ccccc2)Br 34a_200034179028_100000685027 [0,1,1,0,0,0|2,0,0]=4 261 B21R2.223152 CC(=O)CCCOc1c(cccc1c2ccccc2)Br 7a_200034179028_100011215641 [0,1,1,0,0,0|2,0,0]=4 262 B21R2.223152 CC(=O)CCCOc1c(cccc1c2ccccc2)C 34a_100000060226_100000685027 [0,1,1,0,0,0|2,0,0]=4 263 B21R2.223152 CC(=O)CCCOc1c(cccc1c2ccccc2)C 7a_100000060226_100011215641 [0,1,1,0,0,0|2,0,0]=4 264 B21R2.223152 Cc1cccc(c1OCCCC(=O)N)c2ccccc2 34a_100000060226_100102525003 [0,1,1,0,0,0|2,0,0]=4 265 B21R2.223152 Cc1cccc(c1OCCCC(=O)N)c2ccccc2 7a_100000060226_100102525003 [0,1,1,0,0,0|2,0,0]=4 266 B21R2.223152 NC(=O)CCCOc1c(cccc1c2ccccc2)Br 34a_200034179028_100102525003 [0,1,1,0,0,0|2,0,0]=4 267 B21R2.223152 NC(=O)CCCOc1c(cccc1c2ccccc2)Br 7a_200034179028_100102525003 [0,1,1,0,0,0|2,0,0]=4 268 B21R2.257445 CC(CNCc1ccccc1c2ccccc2)C(=O)O 269956a_100000749485_100009813379 [0,1,1,0,0,0|2,0,0]=4 269 B21R2.257445 O=C(O)C(F)CNCc1ccccc1c2ccccc2 269956a_100000084737_100009813379 [0,1,1,0,0,0|2,0,0]=4 270 B21R2.21291 COC(=O)CCNC(c1ccccc1)c2ccccc2 2230a_100000162943_100000204255 [0,1,1,0,0,0|2,0,0]=4 271 B21R2.21291 COC(=O)CCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000742370 [0,1,1,0,0,0|2,0,0]=4 272 B21R2.21291 COC(=O)CCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000742370 [0,1,1,0,0,0|2,0,0]=4 273 B21R2.21291 COC(=O)CCOC(c1ccccc1)c2ccccc2 7a_100000211180_100000204255 [0,1,1,0,0,0|2,0,0]=4 274 B21R2.21291 COC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000204255_100011216954 [0,1,1,0,0,0|2,0,0]=4 275 B21R2.21291 COC(=O)CCSC(c1ccccc1)c2ccccc2 62a_100000211591_100000204255 [0,1,1,0,0,0|2,0,0]=4 276 B21R2.21291 COC(=O)CNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000747449 [0,1,1,0,0,0|2,0,0]=4 277 B21R2.21291 COC(=O)CNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000747449 [0,1,1,0,0,0|2,0,0]=4 278 B21R2.21291 COC(=O)COCC(c1ccccc1)c2ccccc2 34a_100011215272_100000747449 [0,1,1,0,0,0|2,0,0]=4 279 B21R2.21291 COC(=O)COCC(c1ccccc1)c2ccccc2 7a_100011215272_100000747449 [0,1,1,0,0,0|2,0,0]=4 280 B21R2.21291 O=C(CO)CCOC(c1ccccc1)c2ccccc2 1458a_100000210174_100000734929 [0,1,1,0,0,0|2,0,0]=4 281 B21R2.21291 O=C(CO)NCCC(c1ccccc1)c2ccccc2 240690a_100000272388_100000210174 [0,1,1,0,0,0|2,0,0]=4 282 B21R2.21291 O=C(CO)NCCC(c1ccccc1)c2ccccc2 527a_100000272388_100000210174 [0,1,1,0,0,0|2,0,0]=4 283 B21R2.21291 O=C(CO)NCCP(c1ccccc1)c2ccccc2 240690a_107094377242_100000210174 [0,1,1,0,0,0|1,1,0]=4 284 B21R2.21291 O=C(CO)NCCP(c1ccccc1)c2ccccc2 527a_107094377242_100000210174 [0,1,1,0,0,0|1,1,0]=4 285 B21R2.32761 CC(CNC(c1ccccc1)c2ccccc2)C(=O)O 269956a_100000749485_100011216954 [0,1,1,0,0,0|2,0,0]=4 286 B21R2.32761 O=C(O)C(F)CNC(c1ccccc1)c2ccccc2 269956a_100000084737_100011216954 [0,1,1,0,0,0|2,0,0]=4 287 B23R3.10488403 CC(=O)CCOCC1c2ccccc2-c3c1cc(cc3)N 7a_200010591344_100000053229 [0,1,0,0,0,1|2,0,0]=4 288 B23R3.10488403 NC(=O)CCOCC1c2ccccc2-c3c1cc(cc3)N 34a_200010591344_100000731001 [0,1,0,0,0,1|2,0,0]=4 289 B23R3.10488403 NC(=O)CCOCC1c2ccccc2-c3c1cc(cc3)N 7a_200010591344_100000744528 [0,1,0,0,0,1|2,0,0]=4 290 B23R3.24921879 C#CC(=O)CCCCn1c2ccccc2c3c1cccc3 1458a_100000211873_100000426982 [0,1,0,0,0,1|1,0,0]=3 291 B23R3.24921879 C=C(C#N)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000694840 [0,1,0,0,0,1|2,0,0]=4 292 B23R3.24921879 C=CC(=O)CCCCn1c2ccccc2c3c1cccc3 1458a_100000185746_100000426982 [0,1,0,0,0,1|1,0,0]=3 293 B23R3.24921879 C=CC(O)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000730141 [0,1,0,0,0,1|1,0,1]=4 294 B23R3.24921879 CCC(=O)CCCCn1c2ccccc2c3c1cccc3 1458a_100000210414_100000426982 [0,1,0,0,0,1|1,0,0]=3 295 B23R3.24921879 CCC(O)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100011218378 [0,1,0,0,0,1|1,0,1]=4 296 B23R3.24921879 CNC(=O)CCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000741757 [0,1,0,0,0,1|2,0,0]=4 297 B23R3.24921879 CNC(=O)CCCNC1c2ccccc2-c3c1cccc3 2230a_100000740002_100000211598 [0,1,0,0,0,1|2,0,0]=4 298 B23R3.24921879 CNC(=O)CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000741757 [0,1,0,0,0,1|2,0,0]=4 299 B23R3.24921879 CNC(=O)CCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000741757 [0,1,0,0,0,1|2,0,0]=4 300 B23R3.24921879 CNC(=O)CCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000737683 [0,1,0,0,0,1|2,0,0]=4 301 B23R3.24921879 CNC(=O)CCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100012179268 [0,1,0,0,0,1|2,0,0]=4 302 B23R3.24921879 CNC(=O)CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100012179268 [0,1,0,0,0,1|2,0,0]=4 303 B23R3.24921879 CNC(=O)CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000737683 [0,1,0,0,0,1|2,0,0]=4 304 B23R3.24921879 CNC(=O)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000183359 [0,1,0,0,0,1|1,0,0]=3 305 B23R3.24921879 COC(=O)CCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011218270 [0,1,0,0,0,1|1,0,0]=3 306 B23R3.24921879 COC(=O)CCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100011218270 [0,1,0,0,0,1|1,0,0]=3 307 B23R3.24921879 COC(=O)CCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100011218270 [0,1,0,0,0,1|1,0,0]=3 308 B23R3.24921879 COC(=O)CCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000204255 [0,1,0,0,0,1|1,0,0]=3 309 B23R3.24921879 COC(=O)CCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000742370 [0,1,0,0,0,1|1,0,0]=3 310 B23R3.24921879 COC(=O)CCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000742370 [0,1,0,0,0,1|1,0,0]=3 311 B23R3.24921879 COC(=O)CCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000204255 [0,1,0,0,0,1|1,0,0]=3 312 B23R3.24921879 COC(=O)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000747449 [0,1,0,0,0,1|0,0,0]=2 313 B23R3.24921879 C[C@@H](CO)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000059175 [0,1,0,0,0,1|1,0,1]=4 314 B23R3.24921879 O=C(CO)CCCCn1c2ccccc2c3c1cccc3 1458a_100000210174_100000426982 [0,1,0,0,0,1|0,0,0]=2 315 B23R3.24921879 OCC(O)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100011219619 [0,1,0,0,0,1|0,0,2]=4 316 B23R3.24921879 OC[C@H](O)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100009815848 [0,1,0,0,0,1|0,0,2]=4 317 B23R3.24921879 O[C@@H](CF)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100015614560 [0,1,0,0,0,1|1,0,1]=4 318 B23R3.41767946 CC(C)(O)COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000764493 [0,1,0,0,0,1|1,0,1]=4 319 B23R3.41767946 O=S(=O)([O-])COCCn1c2ccccc2c3c1cccc3 34a_100000297428_100009817235 [0,1,0,0,0,1|1,0,1]=4 320 B23R3.41927000 C=C(C)CCC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000730704 [0,1,0,0,0,1|2,0,0]=4 321 B23R3.41927000 CC(O)CCC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100012276601 [0,1,0,0,0,1|1,0,1]=4 322 B23R3.41927000 NC(=O)CNC(=O)Cn1c2ccccc2c3c1cccc3 11a_100000711301_100000293892 [0,1,0,0,0,1|1,0,1]=4 323 B23R3.41927000 NC(=O)CNC(=O)Cn1c2ccccc2c3c1cccc3 240690a_100000711301_100000293892 [0,1,0,0,0,1|1,0,1]=4 324 B23R3.41927000 NC(=O)CNC(=O)Cn1c2ccccc2c3c1cccc3 527a_100000711301_100000293892 [0,1,0,0,0,1|1,0,1]=4 325 B23R3.149826665 CC(=O)CCCOC1(c2ccccc2-c3c1cccc3)C 34a_100000075291_100000685027 [0,1,0,0,0,1|2,0,0]=4 326 B23R3.149826665 CC(=O)CCCOC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100011215641 [0,1,0,0,0,1|2,0,0]=4 327 B23R3.149826665 CC1(c2ccccc2-c3c1cccc3)OCCCC(=O)N 34a_100000075291_100102525003 [0,1,0,0,0,1|2,0,0]=4 328 B23R3.149826665 CC1(c2ccccc2-c3c1cccc3)OCCCC(=O)N 7a_100000075291_100102525003 [0,1,0,0,0,1|2,0,0]=4 329 B23R3.149973644 CC(=O)CCCC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_100011215641 [0,1,0,0,0,1|2,0,0]=4 330 B23R3.149973644 CC(=O)CCO[C@H](C)C1c2ccccc2-c3c1cccc3 7a_200102646376_100000053229 [0,1,0,0,0,1|2,0,0]=4 331 B23R3.149973644 CN(CCCC(=O)O)C1c2ccccc2-c3c1cccc3 269956a_100000719178_100000211598 [0,1,0,0,0,1|1,0,0]=3 332 B23R3.149973644 C[C@@H](OCCC(=O)N)C1c2ccccc2-c3c1cccc3 34a_200102646376_100000731001 [0,1,0,0,0,1|2,0,0]=4 333 B23R3.149973644 C[C@@H](OCCC(=O)N)C1c2ccccc2-c3c1cccc3 7a_200102646376_100000744528 [0,1,0,0,0,1|2,0,0]=4 334 B23R3.149973644 NC(=O)CCCC(=O)C1c2ccccc2-c3c1cccc3 1458a_100000182576_100102525003 [0,1,0,0,0,1|2,0,0]=4 335 B23R3.150478977 C=C(C)CC(=O)CCn1c2ccccc2c3c1cccc3 1458a_100000489668_100000748629 [0,1,0,0,0,1|2,0,0]=4 336 B23R3.150478977 C=C(F)CC(=O)CCn1c2ccccc2c3c1cccc3 1458a_100000489668_100009893438 [0,1,0,0,0,1|2,0,0]=4 337 B23R3.150478977 CC(O)CC(=O)CCn1c2ccccc2c3c1cccc3 1458a_100000489668_100011218427 [0,1,0,0,0,1|1,0,1]=4 338 B23R3.150478977 NC(=O)CC(=O)CCn1c2ccccc2c3c1cccc3 1458a_100000489668_100000187820 [0,1,0,0,0,1|1,0,0]=3 339 B23R3.150478977 O=C(CCn1c2ccccc2c3c1cccc3)C[N+](=O)[O-] 1458a_100000489668_100000761209 [0,1,0,0,0,1|1,0,1]=4 340 B23R3.150478977 O=C(O)CC(O)CNC1c2ccccc2-c3c1cccc3 269956a_100011218706_100000211598 [0,1,0,0,0,1|1,0,0]=3 341 B23R3.150478977 O=C([O-])CC(=O)CCn1c2ccccc2c3c1cccc3 1458a_100000489668_100020667443 [0,1,0,0,0,1|0,0,1]=3 342 B23R3.151415612 CC(OCCn1c2ccccc2c3c1cccc3)C(=O)N 34a_100000297428_100000702099 [0,1,0,0,0,1|1,0,0]=3 343 B23R3.151415612 NC(=O)C(F)OCCn1c2ccccc2c3c1cccc3 34a_100000297428_100009813875 [0,1,0,0,0,1|1,0,0]=3 344 B23R3.151415612 O=C([O-])C(F)OCCn1c2ccccc2c3c1cccc3 34a_100000297428_100020610796 [0,1,0,0,0,1|0,0,1]=3 345 B23R3.25166120 COC(=O)CCNc1cc2ccccc2c3c1cccc3 34a_100000029970_100000742370 [0,1,0,0,0,1|2,0,0]=4 346 B23R3.25166120 COC(=O)CCOc1cc2ccccc2c3c1cccc3 34a_100000036577_100000742370 [0,1,0,0,0,1|2,0,0]=4 347 B23R3.25166120 COC(=O)CCOc1cc2ccccc2c3c1cccc3 7a_100000036577_100000204255 [0,1,0,0,0,1|2,0,0]=4 348 B23R3.25166120 COC(=O)CCSc1cc2ccccc2c3c1cccc3 62a_100000204255_100009813645 [0,1,0,0,0,1|2,0,0]=4 349 B23R3.25166120 COC(=O)CCSc1nc2ccccc2c3c1cccc3 62a_100000204255_100000028652 [0,1,0,0,0,1|2,0,0]=4 350 B23R3.26475393 COC(=O)CCNC1c2ccccc2Oc3c1cccc3 2230a_200000704616_100000204255 [0,1,0,0,0,1|2,0,0]=4 351 B23R3.26475393 COC(=O)CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000742370 [0,1,0,0,0,1|2,0,0]=4 352 B23R3.26475393 COC(=O)CCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000204255 [0,1,0,0,0,1|2,0,0]=4 353 B23R3.26475393 COC(=O)CCSc1c2ccccc2cc3c1cccc3 62a_100000204255_100000185772 [0,1,0,0,0,1|2,0,0]=4 354 B23R3.26475393 COC(=O)CCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000204255 [0,1,0,0,0,1|2,0,0]=4 355 B23R3.26475393 COC(=O)COCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000747449 [0,1,0,0,0,1|2,0,0]=4 356 B23R3.26475393 COC(=O)COCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000747449 [0,1,0,0,0,1|2,0,0]=4 357 B23R3.26475393 COC(=O)CSCc1c2ccccc2cc3c1cccc3 62a_100000747449_100009992879 [0,1,0,0,0,1|2,0,0]=4 358 B23R3.26475393 COC(=O)CSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000747449 [0,1,0,0,0,1|2,0,0]=4 359 B23R3.26475393 COC(=O)CSCc1c2ccccc2nc3c1cccc3 62a_100009813545_100000747449 [0,1,0,0,0,1|2,0,0]=4 360 B23R3.38550080 C[C@H](NCc1c2ccccc2cc3c1cccc3)C(=O)O 269956a_100000743915_100009992879 [0,1,0,0,0,1|2,0,0]=4 361 B23R3.41925352 CC(=O)CCC(=O)N1c2ccccc2Sc3c1cccc3 1458a_100000070787_200015341630 [0,1,0,0,0,1|1,0,1]=4 362 B23R3.71886310 CN(CC(=O)O)Cc1c2ccccc2cc3c1cccc3 269956a_100000746989_100009992879 [0,1,0,0,0,1|2,0,0]=4 363 B23R3.26475561 COC(=O)COCC1c2ccccc2-c3c1cc(cc3)N 34a_200010591344_100000747449 [0,2,0,0,0,0|2,0,0]=4 364 B23R3.26475561 COC(=O)COCC1c2ccccc2-c3c1cc(cc3)N 7a_200010591344_100000747449 [0,2,0,0,0,0|2,0,0]=4 365 B23R3.2443629 C=COC(=O)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000036128 [0,2,0,0,0,0|2,0,0]=4 366 B23R3.2443629 C=COC(=O)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000036128 [0,2,0,0,0,0|2,0,0]=4 367 B23R3.2443629 C=COC(=O)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000036128 [0,2,0,0,0,0|2,0,0]=4 368 B23R3.2443629 CCOC(=O)CCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100011206558 [0,2,0,0,0,0|2,0,0]=4 369 B23R3.2443629 CCOC(=O)CCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100011206558 [0,2,0,0,0,0|2,0,0]=4 370 B23R3.2443629 CCOC(=O)CCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000765890 [0,2,0,0,0,0|2,0,0]=4 371 B23R3.2443629 CCOC(=O)CNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000188475 [0,2,0,0,0,0|2,0,0]=4 372 B23R3.2443629 CCOC(=O)CNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000188475 [0,2,0,0,0,0|2,0,0]=4 373 B23R3.2443629 CCOC(=O)COCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000188475 [0,2,0,0,0,0|2,0,0]=4 374 B23R3.2443629 CCOC(=O)COCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000188475 [0,2,0,0,0,0|2,0,0]=4 375 B23R3.2443629 O=C(CNCC1c2ccccc2-c3c1cccc3)NCO 2230a_100016995487_100000185155 [0,2,0,0,0,0|2,0,0]=4 376 B23R3.2443629 O=C(CNCC1c2ccccc2-c3c1cccc3)NCO 34a_100016995487_100000185155 [0,2,0,0,0,0|2,0,0]=4 377 B23R3.2443629 O=C(COCC1c2ccccc2-c3c1cccc3)NCO 34a_100011215202_100000185155 [0,2,0,0,0,0|2,0,0]=4 378 B23R3.2443629 O=C(COCC1c2ccccc2-c3c1cccc3)NCO 7a_100011215202_100000185155 [0,2,0,0,0,0|2,0,0]=4 379 B23R3.2828318 COC(=O)C(C)COC1c2ccccc2-c3c1cccc3 7a_100000749362_100000211598 [0,2,0,0,0,0|2,0,0]=4 380 B23R3.2828318 COC(=O)C(C)CSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000698445 [0,2,0,0,0,0|2,0,0]=4 381 B23R3.2828318 COC(=O)C(C)NCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000211248 [0,2,0,0,0,0|2,0,0]=4 382 B23R3.2828318 COC(=O)C(C)NCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000211248 [0,2,0,0,0,0|2,0,0]=4 383 B23R3.2828318 COC(=O)C(C)OCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000211248 [0,2,0,0,0,0|2,0,0]=4 384 B23R3.2828318 COC(=O)C(C)OCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000211248 [0,2,0,0,0,0|2,0,0]=4 385 B23R3.20996024 CCC(=O)CC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000747405 [0,2,0,0,0,0|1,0,1]=4 386 B23R3.20996024 CNC(=O)CC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000183359 [0,2,0,0,0,0|1,0,1]=4 387 B23R3.20996024 COC(=O)CC(=O)CC1c2ccccc2-c3c1cccc3 1458a_100000011082_100000747449 [0,2,0,0,0,0|1,0,1]=4 388 B23R3.20996024 COC(=O)CC(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000747449 [0,2,0,0,0,0|0,0,1]=3 389 B23R3.20996024 COC(=O)CC(C)NC1c2ccccc2-c3c1cccc3 2230a_100000104097_100009817358 [0,2,0,0,0,0|2,0,0]=4 390 B23R3.20996024 COC(=O)CC(C)OC1c2ccccc2-c3c1cccc3 7a_100000211495_100009817358 [0,2,0,0,0,0|2,0,0]=4 391 B23R3.20996024 COC(=O)CC(C)SC1c2ccccc2-c3c1cccc3 62a_100000211598_100009817358 [0,2,0,0,0,0|2,0,0]=4 392 B23R3.76543991 COC(=O)CCN(C)C1c2ccccc2-c3c1cccc3 269982a_100025711912_100000211598 [0,2,0,0,0,0|2,0,0]=4 393 B23R3.76543991 COC(=O)CO[C@H](C)C1c2ccccc2-c3c1cccc3 34a_200102646376_100000747449 [0,2,0,0,0,0|2,0,0]=4 394 B23R3.76543991 COC(=O)CO[C@H](C)C1c2ccccc2-c3c1cccc3 7a_200102646376_100000747449 [0,2,0,0,0,0|2,0,0]=4 395 B23R3.199193239 COC(=O)CCOC1(c2ccccc2-c3c1cccc3)C 34a_100000075291_100000742370 [0,2,0,0,0,0|2,0,0]=4 396 B23R3.199193239 COC(=O)CCOC1(c2ccccc2-c3c1cccc3)C 7a_100000075291_100000204255 [0,2,0,0,0,0|2,0,0]=4 397 B23R3.74466143 CC(=O)C(C)C(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000179758 [0,2,0,0,0,0|1,0,1]=4 398 B23R3.74466143 CC(C(=O)N)C(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100000702099 [0,2,0,0,0,0|1,0,1]=4 399 B23R3.74466143 NC(=O)C(F)C(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100009813875 [0,2,0,0,0,0|1,0,1]=4 400 B23R3.74466143 O=C([O-])C(F)C(=O)Cn1c2ccccc2c3c1cccc3 1458a_100000293892_100020610796 [0,2,0,0,0,0|0,0,2]=4 401 B23R3.149559578 CC(C)(CNC1c2ccccc2-c3c1cccc3)C(=O)O 269956a_100000693527_100000211598 [0,2,0,0,0,0|2,0,0]=4 402 B23R3.149559578 O=C(O)C(F)(F)CNC1c2ccccc2-c3c1cccc3 269956a_100000734215_100000211598 [0,2,0,0,0,0|2,0,0]=4 403 B23R3.150392019 CC(C)(CC(=O)O)NC1c2ccccc2-c3c1cccc3 269956a_100000755897_100000211598 [0,2,0,0,0,0|2,0,0]=4 404 B23R3.246020918 CC[C@H](CC(=O)O)NC1c2ccccc2-c3c1cccc3 269956a_100016995926_100000211598 [0,2,0,0,0,0|2,0,0]=4 405 B23R3.246020918 O=C(O)C[C@@H](CO)NC1c2ccccc2-c3c1cccc3 269956a_100009816507_100000211598 [0,2,0,0,0,0|2,0,0]=4 406 B23R4.175502 O=C1CC(C1)CNC2c3ccccc3-c4c2cccc4 2230a_100000104097_100009874392 [0,0,0,1,0,1|2,0,0]=4 407 B23R4.175502 O=C1CC(C1)COC2c3ccccc3-c4c2cccc4 7a_100000211495_100009874392 [0,0,0,1,0,1|2,0,0]=4 408 B23R4.175502 O=C1CC(C1)CSC2c3ccccc3-c4c2cccc4 62a_100000211598_100009874392 [0,0,0,1,0,1|2,0,0]=4 409 B23R4.1541855 c1ccc2c(c1)c3ccccc3n2CCOCC4CO4 34a_100000297428_102125554688 [0,0,0,1,0,1|1,0,1]=4 410 B23R4.1781969 O=C1OCC(O1)SC2c3ccccc3-c4c2cccc4 62a_100000211598_100000032252 [0,0,0,1,0,1|2,0,0]=4 411 B23R4.26152508 O=C(O)C1CCN1C2c3ccccc3-c4c2cccc4 269956a_100000021838_100000211598 [0,0,0,1,0,1|1,0,0]=3 412 B23R4.30534569 COC(=O)C1CN1C2c3ccccc3-c4c2cccc4 2230a_200009830135_100000211598 [0,1,0,1,0,0|2,0,0]=4 413 B21R2.12800 CC(=O)CCCNc1ccccc1Cc2ccccc2 34a_100000211252_100000685027 [0,0,1,0,0,1|1,0,0]=3 414 B21R2.12800 CC(=O)CCCNc1ccccc1Cc2ccccc2 7a_100000211252_100011215641 [0,0,1,0,0,1|1,0,0]=3 415 B21R2.12800 CC(=O)CCCNc1ccccc1Oc2ccccc2 34a_100000182328_100000685027 [0,0,1,0,0,1|1,0,0]=3 416 B21R2.12800 CC(=O)CCCOc1ccccc1Cc2ccccc2 34a_100000211249_100000685027 [0,0,1,0,0,1|2,0,0]=4 417 B21R2.12800 CC(=O)CCCOc1ccccc1Cc2ccccc2 7a_100000211249_100011215641 [0,0,1,0,0,1|2,0,0]=4 418 B21R2.12800 CC(=O)CCCOc1ccccc1Oc2ccccc2 34a_100000074787_100000685027 [0,0,1,0,0,1|2,0,0]=4 419 B21R2.12800 CC(=O)CCCOc1ccccc1Oc2ccccc2 7a_100000074787_100011215641 [0,0,1,0,0,1|2,0,0]=4 420 B21R2.12800 CC(=O)CCCSc1ccccc1Cc2ccccc2 62a_100011215641_200011216382 [0,0,1,0,0,1|2,0,0]=4 421 B21R2.12800 CC(=O)CCCSc1ccccc1Cc2ccccc2 62a_200011216382_100011215641 [0,0,1,0,0,1|2,0,0]=4 422 B21R2.12800 CC(=O)CCCSc1ccccc1Nc2ccccc2 62a_100011215641_100009815782 [0,0,1,0,0,1|2,0,0]=4 423 B21R2.12800 CC(=O)CCCSc1ccccc1Oc2ccccc2 62a_100011215641_100000049502 [0,0,1,0,0,1|2,0,0]=4 424 B21R2.12800 CC(=O)NCCNc1ccccc1Cc2ccccc2 2230a_100000211252_100000189650 [0,0,1,0,0,1|2,0,0]=4 425 B21R2.12800 CC(=O)NCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000189650 [0,0,1,0,0,1|2,0,0]=4 426 B21R2.12800 CC(=O)NCCNc1ccccc1Oc2ccccc2 2230a_100000182328_100000189650 [0,0,1,0,0,1|2,0,0]=4 427 B21R2.12800 CC(=O)NCCNc1ccccc1Sc2ccccc2 2230a_100000210917_100000189650 [0,0,1,0,0,1|2,0,0]=4 428 B21R2.12800 CC(=O)OCCNc1ccccc1Cc2ccccc2 34a_100000211252_100009814007 [0,0,1,0,0,1|2,0,0]=4 429 B21R2.12800 CC(=O)OCCNc1ccccc1Cc2ccccc2 7a_100000211252_100009814007 [0,0,1,0,0,1|2,0,0]=4 430 B21R2.12800 CC(=O)OCCNc1ccccc1Oc2ccccc2 34a_100000182328_100009814007 [0,0,1,0,0,1|2,0,0]=4 431 B21R2.12800 CC(O)CCCNc1ccccc1Cc2ccccc2 2230a_100000211252_200000718107 [0,0,1,0,0,1|1,0,1]=4 432 B21R2.12800 CC(O)CCCNc1ccccc1Cc2ccccc2 34a_100000211252_200000718107 [0,0,1,0,0,1|1,0,1]=4 433 B21R2.12800 CC(O)CCCNc1ccccc1Cc2ccccc2 7a_100000211252_200000718107 [0,0,1,0,0,1|1,0,1]=4 434 B21R2.12800 CC(O)CCCNc1ccccc1Oc2ccccc2 2230a_100000182328_200000718107 [0,0,1,0,0,1|1,0,1]=4 435 B21R2.12800 CC(O)CCCNc1ccccc1Oc2ccccc2 34a_100000182328_200000718107 [0,0,1,0,0,1|1,0,1]=4 436 B21R2.12800 CC(O)CCCNc1ccccc1Sc2ccccc2 2230a_100000210917_200000718107 [0,0,1,0,0,1|1,0,1]=4 437 B21R2.12800 NC(=O)CCCNc1ccccc1Cc2ccccc2 34a_100000211252_100102525003 [0,0,1,0,0,1|1,0,0]=3 438 B21R2.12800 NC(=O)CCCNc1ccccc1Cc2ccccc2 7a_100000211252_100102525003 [0,0,1,0,0,1|1,0,0]=3 439 B21R2.12800 NC(=O)CCCNc1ccccc1Oc2ccccc2 34a_100000182328_100102525003 [0,0,1,0,0,1|1,0,0]=3 440 B21R2.12800 NC(=O)CCCOc1ccccc1Cc2ccccc2 34a_100000211249_100102525003 [0,0,1,0,0,1|2,0,0]=4 441 B21R2.12800 NC(=O)CCCOc1ccccc1Cc2ccccc2 7a_100000211249_100102525003 [0,0,1,0,0,1|2,0,0]=4 442 B21R2.12800 NC(=O)CCCOc1ccccc1Oc2ccccc2 34a_100000074787_100102525003 [0,0,1,0,0,1|2,0,0]=4 443 B21R2.12800 NC(=O)CCCOc1ccccc1Oc2ccccc2 7a_100000074787_100102525003 [0,0,1,0,0,1|2,0,0]=4 444 B21R2.12800 NC(=O)CCCSc1ccccc1Cc2ccccc2 62a_100102525003_200011216382 [0,0,1,0,0,1|2,0,0]=4 445 B21R2.12800 NC(=O)CCCSc1ccccc1Cc2ccccc2 62a_200011216382_100102525003 [0,0,1,0,0,1|2,0,0]=4 446 B21R2.12800 NC(=O)CCCSc1ccccc1Nc2ccccc2 62a_100102525003_100009815782 [0,0,1,0,0,1|2,0,0]=4 447 B21R2.12800 NC(=O)CCCSc1ccccc1Oc2ccccc2 62a_100102525003_100000049502 [0,0,1,0,0,1|2,0,0]=4 448 B21R2.12800 NC(=O)NCCNc1ccccc1Cc2ccccc2 2230a_100000211252_200000034859 [0,0,1,0,0,1|2,0,0]=4 449 B21R2.12800 NC(=O)NCCNc1ccccc1Cc2ccccc2 7a_100000211252_200000034859 [0,0,1,0,0,1|2,0,0]=4 450 B21R2.12800 NC(=O)NCCNc1ccccc1Oc2ccccc2 2230a_100000182328_200000034859 [0,0,1,0,0,1|2,0,0]=4 451 B21R2.12800 NC(=O)NCCNc1ccccc1Sc2ccccc2 2230a_100000210917_200000034859 [0,0,1,0,0,1|2,0,0]=4 452 B21R2.12800 NC(=O)OCCNc1ccccc1Cc2ccccc2 34a_100000211252_200011214921 [0,0,1,0,0,1|2,0,0]=4 453 B21R2.12800 NC(=O)OCCNc1ccccc1Cc2ccccc2 7a_100000211252_200011214921 [0,0,1,0,0,1|2,0,0]=4 454 B21R2.12800 NC(=O)OCCNc1ccccc1Oc2ccccc2 34a_100000182328_200011214921 [0,0,1,0,0,1|2,0,0]=4 455 B21R2.12957 CC(=O)CCCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100009817362 [0,0,1,0,0,1|1,0,1]=4 456 B21R2.12957 CC(=O)CCCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000735457 [0,0,1,0,0,1|1,0,1]=4 457 B21R2.12957 CC(=O)CCCCNc1ccccc1c2ccccc2 34a_100000210918_100009817362 [0,0,1,0,0,1|1,0,0]=3 458 B21R2.12957 CC(=O)CCCCOc1ccccc1c2ccccc2 34a_100000210297_100009817362 [0,0,1,0,0,1|2,0,0]=4 459 B21R2.12957 CC(=O)CCCCOc1ccccc1c2ccccc2 7a_100000210297_100000735457 [0,0,1,0,0,1|2,0,0]=4 460 B21R2.12957 CC(=O)CCCNCc1ccccc1c2ccccc2 34a_100000071662_100000685027 [0,0,1,0,0,1|1,0,0]=3 461 B21R2.12957 CC(=O)CCCOCc1ccccc1c2ccccc2 34a_100000032370_100000685027 [0,0,1,0,0,1|2,0,0]=4 462 B21R2.12957 CC(=O)CCCOCc1ccccc1c2ccccc2 34a_100000759063_100009813379 [0,0,1,0,0,1|2,0,0]=4 463 B21R2.12957 CC(=O)CCCOCc1ccccc1c2ccccc2 7a_100000032370_100011215641 [0,0,1,0,0,1|2,0,0]=4 464 B21R2.12957 CC(=O)CCCOCc1ccccc1c2ccccc2 7a_100000759063_100009813379 [0,0,1,0,0,1|2,0,0]=4 465 B21R2.12957 CC(=O)CCCSCc1ccccc1c2ccccc2 62a_100009813379_100011215641 [0,0,1,0,0,1|2,0,0]=4 466 B21R2.12957 CC(=O)CCCSCc1ccccc1c2ccccc2 62a_100011215641_100009813379 [0,0,1,0,0,1|2,0,0]=4 467 B21R2.12957 CC(=O)NCCCNc1ccccc1c2ccncc2 27a_100000736810_100010154595 [0,0,1,0,0,1|2,0,0]=4 468 B21R2.12957 CC(=O)NCCCNc1cccnc1c2ccccc2 27a_100000736810_100010138707 [0,0,1,0,0,1|2,0,0]=4 469 B21R2.12957 CC(=O)NCCNCc1ccccc1c2ccccc2 207a_100000209853_100011219292 [0,0,1,0,0,1|2,0,0]=4 470 B21R2.12957 CC(=O)NCCNCc1ccccc1c2ccccc2 2230a_100000209853_100009813379 [0,0,1,0,0,1|2,0,0]=4 471 B21R2.12957 CC(=O)OCCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000042594 [0,0,1,0,0,1|1,0,1]=4 472 B21R2.12957 CC(=O)OCCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000042594 [0,0,1,0,0,1|1,0,1]=4 473 B21R2.12957 CC(=O)OCCCNc1ccccc1c2ccccc2 34a_100000210918_100000042594 [0,0,1,0,0,1|1,0,0]=3 474 B21R2.12957 CC(=O)OCCCOc1ccccc1c2ccccc2 34a_100000210297_100000042594 [0,0,1,0,0,1|2,0,0]=4 475 B21R2.12957 CC(=O)OCCCOc1ccccc1c2ccccc2 7a_100000210297_100000042594 [0,0,1,0,0,1|2,0,0]=4 476 B21R2.12957 CC(=O)OCCCSc1ccccc1c2ccccc2 62a_100000033479_100000042594 [0,0,1,0,0,1|2,0,0]=4 477 B21R2.12957 CC(=O)OCCCSc1ccccc1c2ccccc2 62a_100000042594_100000033479 [0,0,1,0,0,1|2,0,0]=4 478 B21R2.12957 CC(=O)OCCNCc1ccccc1c2ccccc2 34a_100000071662_100009814007 [0,0,1,0,0,1|2,0,0]=4 479 B21R2.12957 CC(=O)SCCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000038929 [0,0,1,0,0,1|1,0,1]=4 480 B21R2.12957 CC(=O)SCCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000038929 [0,0,1,0,0,1|1,0,1]=4 481 B21R2.12957 CC(=O)SCCCNc1ccccc1c2ccccc2 34a_100000210918_100000038929 [0,0,1,0,0,1|1,0,0]=3 482 B21R2.12957 CC(=O)SCCCOc1ccccc1c2ccccc2 34a_100000210297_100000038929 [0,0,1,0,0,1|2,0,0]=4 483 B21R2.12957 CC(=O)SCCCOc1ccccc1c2ccccc2 7a_100000210297_100000038929 [0,0,1,0,0,1|2,0,0]=4 484 B21R2.12957 CC(=S)OCCCNc1ccccc1c2ccccc2 34a_100000210918_200135323944 [0,0,1,0,0,1|1,1,0]=4 485 B21R2.12957 CC(O)CCCNCc1ccccc1c2ccccc2 34a_100000071662_200000718107 [0,0,1,0,0,1|1,0,1]=4 486 B21R2.12957 CS(=O)CCCNCc1ccccc1c2ccccc2 207a_200000753449_100011219292 [0,0,1,0,0,1|2,0,0]=4 487 B21R2.12957 CS(=O)CCCNCc1ccccc1c2ccccc2 2230a_200000753449_100009813379 [0,0,1,0,0,1|2,0,0]=4 488 B21R2.12957 CS(=O)CCCNCc1ccccc1c2ccccc2 270004a_200000753449_100011219292 [0,0,1,0,0,1|2,0,0]=4 489 B21R2.12957 NC(=O)CCCNCc1ccccc1c2ccccc2 34a_100000071662_100102525003 [0,0,1,0,0,1|1,0,0]=3 490 B21R2.12957 NC(=O)CCCNCc1ccccc1c2ccccc2 34a_100000739312_100009813379 [0,0,1,0,0,1|1,0,0]=3 491 B21R2.12957 NC(=O)CCCOCc1ccccc1c2ccccc2 34a_100000032370_100102525003 [0,0,1,0,0,1|2,0,0]=4 492 B21R2.12957 NC(=O)CCCOCc1ccccc1c2ccccc2 7a_100000032370_100102525003 [0,0,1,0,0,1|2,0,0]=4 493 B21R2.12957 NC(=O)CCCSCc1ccccc1c2ccccc2 62a_100009813379_100102525003 [0,0,1,0,0,1|2,0,0]=4 494 B21R2.12957 NC(=O)CCCSCc1ccccc1c2ccccc2 62a_100102525003_100009813379 [0,0,1,0,0,1|2,0,0]=4 495 B21R2.12957 NC(=O)CNCCOc1ccccc1c2ccccc2 2230a_100000746045_100000747473 [0,0,1,0,0,1|2,0,0]=4 496 B21R2.12957 NC(=O)CNCCOc1ccccc1c2ccccc2 34a_100000746045_100000187820 [0,0,1,0,0,1|2,0,0]=4 497 B21R2.12957 NC(=O)COCCNc1ccccc1c2[c-]cccc2 34a_107093835030_100000076697 [0,0,1,0,0,1|1,0,1]=4 498 B21R2.12957 NC(=O)COCCNc1ccccc1c2[c-]cccc2 7a_107093835030_100000076697 [0,0,1,0,0,1|1,0,1]=4 499 B21R2.12957 NC(=O)COCCNc1ccccc1c2ccccc2 34a_100000210918_100000076697 [0,0,1,0,0,1|1,0,0]=3 500 B21R2.12957 NC(=O)COCCOc1ccccc1c2ccccc2 34a_100000210297_100000076697 [0,0,1,0,0,1|2,0,0]=4 501 B21R2.12957 NC(=O)COCCOc1ccccc1c2ccccc2 34a_200000345248_100000187820 [0,0,1,0,0,1|2,0,0]=4 502 B21R2.12957 NC(=O)COCCOc1ccccc1c2ccccc2 7a_100000210297_100000076697 [0,0,1,0,0,1|2,0,0]=4 503 B21R2.12957 NC(=O)COCCOc1ccccc1c2ccccc2 7a_200000345248_100000187820 [0,0,1,0,0,1|2,0,0]=4 504 B21R2.12957 NC(=O)COCCSc1ccccc1c2ccccc2 62a_100000033479_100000076697 [0,0,1,0,0,1|2,0,0]=4 505 B21R2.12957 NC(=O)COCCSc1ccccc1c2ccccc2 62a_100000076697_100000033479 [0,0,1,0,0,1|2,0,0]=4 506 B21R2.12957 NC(=O)NCCNCc1ccccc1c2ccccc2 207a_100020590234_100011219292 [0,0,1,0,0,1|2,0,0]=4 507 B21R2.12957 NC(=O)NCCNCc1ccccc1c2ccccc2 34a_100020590234_100009813379 [0,0,1,0,0,1|2,0,0]=4 508 B21R2.12957 NC(=O)OCCNCc1ccccc1c2ccccc2 34a_100000071662_200011214921 [0,0,1,0,0,1|2,0,0]=4 509 B21R2.12957 O=C([O-])CNCCOc1ccccc1c2ccccc2 34a_100000746045_100020667443 [0,0,1,0,0,1|1,0,1]=4 510 B21R2.12957 O=C([O-])COCCOc1ccccc1c2ccccc2 34a_200000345248_100020667443 [0,0,1,0,0,1|1,0,1]=4 511 B21R2.12957 OB(O)CCCCNc1ccccc1c2ccccc2 34a_100000210918_200009817182 [0,0,1,0,0,1|1,0,1]=4 512 B21R2.12898 C=C(C)COCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000748629 [0,0,1,0,0,1|2,0,0]=4 513 B21R2.12898 C=C(C)COCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000748629 [0,0,1,0,0,1|2,0,0]=4 514 B21R2.12898 C=C(F)COCCN(c1ccccc1)c2ccccc2 34a_100010001939_100009893438 [0,0,1,0,0,1|2,0,0]=4 515 B21R2.12898 C=C(F)COCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000042424 [0,0,1,0,0,1|2,0,0]=4 516 B21R2.12898 CC(=O)CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100000685027 [0,0,1,0,0,1|2,0,0]=4 517 B21R2.12898 CC(=O)CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100000685027 [0,0,1,0,0,1|2,0,0]=4 518 B21R2.12898 CC(=O)CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100011215641 [0,0,1,0,0,1|2,0,0]=4 519 B21R2.12898 CC(=O)CCCOC(c1ccccc1)c2ccccc2 7a_100000759063_100011216954 [0,0,1,0,0,1|2,0,0]=4 520 B21R2.12898 CC(=O)CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100011215641 [0,0,1,0,0,1|2,0,0]=4 521 B21R2.12898 CC(=O)CCCSC(c1ccccc1)c2ccccc2 62a_100011215641_100011216954 [0,0,1,0,0,1|2,0,0]=4 522 B21R2.12898 CC(=O)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000053229 [0,0,1,0,0,1|2,0,0]=4 523 B21R2.12898 CC(=O)COCCC(c1ccccc1)c2ccccc2 34a_100000211253_100009813428 [0,0,1,0,0,1|2,0,0]=4 524 B21R2.12898 CC(=O)NCCCP(c1ccccc1)c2ccccc2 11a_100016990410_100015343762 [0,0,1,0,0,1|1,1,0]=4 525 B21R2.12898 CC(=O)NCCCP(c1ccccc1)c2ccccc2 1626a_100016990410_100015343762 [0,0,1,0,0,1|1,1,0]=4 526 B21R2.12898 CC(=O)NCCCP(c1ccccc1)c2ccccc2 240690a_100016990410_100015343762 [0,0,1,0,0,1|1,1,0]=4 527 B21R2.12898 CC(=O)NCCCP(c1ccccc1)c2ccccc2 527a_100016990410_100103153847 [0,0,1,0,0,1|1,1,0]=4 528 B21R2.12898 CC(O)COCCN(c1ccccc1)c2ccccc2 34a_100010001939_100011218427 [0,0,1,0,0,1|1,0,1]=4 529 B21R2.12898 CC(O)COCCN(c1ccccc1)c2ccccc2 7a_100010001939_100011218427 [0,0,1,0,0,1|1,0,1]=4 530 B21R2.12898 C[C@@H](O)COCCN(c1ccccc1)c2ccccc2 34a_100010001939_100009817552 [0,0,1,0,0,1|1,0,1]=4 531 B21R2.12898 C[C@@H](O)COCCN(c1ccccc1)c2ccccc2 7a_100010001939_100009817552 [0,0,1,0,0,1|1,0,1]=4 532 B21R2.12898 NC(=O)CCCNC(c1ccccc1)c2ccccc2 34a_100000162943_100102525003 [0,0,1,0,0,1|2,0,0]=4 533 B21R2.12898 NC(=O)CCCOC(c1ccccc1)c2ccccc2 34a_100000211180_100102525003 [0,0,1,0,0,1|2,0,0]=4 534 B21R2.12898 NC(=O)CCCOC(c1ccccc1)c2ccccc2 7a_100000211180_100102525003 [0,0,1,0,0,1|2,0,0]=4 535 B21R2.12898 NC(=O)CCCSC(c1ccccc1)c2ccccc2 62a_100000211591_100102525003 [0,0,1,0,0,1|2,0,0]=4 536 B21R2.12898 NC(=O)CCCSC(c1ccccc1)c2ccccc2 62a_100102525003_100011216954 [0,0,1,0,0,1|2,0,0]=4 537 B21R2.12898 NC(=O)CCNCC(c1ccccc1)c2ccccc2 2230a_100000739227_100000744528 [0,0,1,0,0,1|2,0,0]=4 538 B21R2.12898 NC(=O)CCNCC(c1ccccc1)c2ccccc2 34a_100000739227_100000731001 [0,0,1,0,0,1|2,0,0]=4 539 B21R2.12898 NC(=O)CCOCC(c1ccccc1)c2ccccc2 34a_100011215272_100000731001 [0,0,1,0,0,1|2,0,0]=4 540 B21R2.12898 NC(=O)CCOCC(c1ccccc1)c2ccccc2 7a_100011215272_100000744528 [0,0,1,0,0,1|2,0,0]=4 541 B21R2.12898 NC(=O)CNCCC(c1ccccc1)c2ccccc2 2230a_100000272388_100000747473 [0,0,1,0,0,1|2,0,0]=4 542 B21R2.12898 NC(=O)CNCCC(c1ccccc1)c2ccccc2 2230a_100000711301_100009813428 [0,0,1,0,0,1|2,0,0]=4 543 B21R2.12898 NC(=O)CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100000187820 [0,0,1,0,0,1|2,0,0]=4 544 B21R2.12898 NC(=O)CNCCP(c1ccccc1)c2ccccc2 2230a_107094377242_100000747473 [0,0,1,0,0,1|1,1,0]=4 545 B21R2.12898 NC(=O)CNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100000187820 [0,0,1,0,0,1|1,1,0]=4 546 B21R2.12898 NC(=O)CNCC[S+](c1ccccc1)c2ccccc2 2230a_100000711301_100010140906 [0,0,1,0,0,1|2,0,0]=4 547 B21R2.12898 NC(=O)COCCC(c1ccccc1)c2ccccc2 34a_100000032380_100000187820 [0,0,1,0,0,1|2,0,0]=4 548 B21R2.12898 NC(=O)COCCC(c1ccccc1)c2ccccc2 7a_100000032380_100000187820 [0,0,1,0,0,1|2,0,0]=4 549 B21R2.12898 NC(=O)COCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000187820 [0,0,1,0,0,1|1,0,0]=3 550 B21R2.12898 NC(=O)COCCN(c1ccccc1)c2ccccc2 7a_100010001939_100000187820 [0,0,1,0,0,1|1,0,0]=3 551 B21R2.12898 NC(=O)CSCCC(c1ccccc1)c2ccccc2 62a_100000747473_100009813428 [0,0,1,0,0,1|2,0,0]=4 552 B21R2.12898 NC(=O)CSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100000747473 [0,0,1,0,0,1|2,0,0]=4 553 B21R2.12898 NC(=O)CSCC[S+](c1ccccc1)c2ccccc2 62a_100000747473_100010140906 [0,0,1,0,0,1|2,0,0]=4 554 B21R2.12898 NC(=O)CSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100000747473 [0,0,1,0,0,1|2,0,0]=4 555 B21R2.12898 O=C(O)CNCCC(c1ccccc1)c2ccccc2 269956a_100016091260_100009813428 [0,0,1,0,0,1|1,0,0]=3 556 B21R2.12898 O=C(O)CNCC[S+](c1ccccc1)c2ccccc2 269956a_100016091260_100010140906 [0,0,1,0,0,1|1,0,0]=3 557 B21R2.12898 O=C([O-])CNCCC(c1ccccc1)c2ccccc2 34a_100000272388_100020667443 [0,0,1,0,0,1|1,0,1]=4 558 B21R2.12898 O=C([O-])CNCCP(c1ccccc1)c2ccccc2 34a_107094377242_100020667443 [0,0,1,0,0,1|0,1,1]=4 559 B21R2.12898 O=C([O-])COCCC(c1ccccc1)c2ccccc2 34a_100000032380_100020667443 [0,0,1,0,0,1|1,0,1]=4 560 B21R2.12898 O=C([O-])COCCN(c1ccccc1)c2ccccc2 34a_100010001939_100020667443 [0,0,1,0,0,1|0,0,1]=3 561 B21R2.12898 O=C([O-])CSCCC(c1ccccc1)c2ccccc2 62a_100009813428_100020667443 [0,0,1,0,0,1|1,0,1]=4 562 B21R2.12898 O=C([O-])CSCCC(c1ccccc1)c2ccccc2 62a_100020667443_100009813428 [0,0,1,0,0,1|1,0,1]=4 563 B21R2.12898 O=C([O-])CSCC[S+](c1ccccc1)c2ccccc2 62a_100010140906_100020667443 [0,0,1,0,0,1|1,0,1]=4 564 B21R2.12898 O=C([O-])CSCC[S+](c1ccccc1)c2ccccc2 62a_100020667443_100010140906 [0,0,1,0,0,1|1,0,1]=4 565 B21R2.12898 O=[N+]([O-])COCCN(c1ccccc1)c2ccccc2 34a_100010001939_100000761209 [0,0,1,0,0,1|1,0,1]=4 566 B21R2.12899 CC(=O)CCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100011215641 [0,0,1,0,0,1|1,0,0]=3 567 B21R2.12899 CC(=O)CCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100000685027 [0,0,1,0,0,1|1,0,0]=3 568 B21R2.12899 CC(=O)NCCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_100000189650 [0,0,1,0,0,1|2,0,0]=4 569 B21R2.12899 CC(=O)NCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100000189650 [0,0,1,0,0,1|2,0,0]=4 570 B21R2.12899 CC(=O)OCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100009814007 [0,0,1,0,0,1|2,0,0]=4 571 B21R2.12899 CC(=O)OCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100009814007 [0,0,1,0,0,1|2,0,0]=4 572 B21R2.12899 CC(O)CCCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_200000718107 [0,0,1,0,0,1|1,0,1]=4 573 B21R2.12899 CC(O)CCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_200000718107 [0,0,1,0,0,1|1,0,1]=4 574 B21R2.12899 CC(O)CCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_200000718107 [0,0,1,0,0,1|1,0,1]=4 575 B21R2.12899 NC(=O)CCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_100102525003 [0,0,1,0,0,1|1,0,0]=3 576 B21R2.12899 NC(=O)CCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_100102525003 [0,0,1,0,0,1|1,0,0]=3 577 B21R2.12899 NC(=O)NCCN(Cc1ccccc1)c2ccccc2 2230a_100000188819_200000034859 [0,0,1,0,0,1|2,0,0]=4 578 B21R2.12899 NC(=O)NCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_200000034859 [0,0,1,0,0,1|2,0,0]=4 579 B21R2.12899 NC(=O)OCCN(Cc1ccccc1)c2ccccc2 269982a_100000188819_200011214921 [0,0,1,0,0,1|2,0,0]=4 580 B21R2.12899 NC(=O)OCCN(Cc1ccccc1)c2ccccc2 34a_100000188819_200011214921 [0,0,1,0,0,1|2,0,0]=4 581 B23R3.19159989 CC(=O)CCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000685027 [0,0,0,0,0,2|2,0,0]=4 582 B23R3.19159989 CC(=O)CCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100011215641 [0,0,0,0,0,2|2,0,0]=4 583 B23R3.19159989 CC(=O)CCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100011215641 [0,0,0,0,0,2|2,0,0]=4 584 B23R3.19159989 CC(=O)CCOCc1c2ccccc2cc3c1cccc3 34a_100000759926_100009992879 [0,0,0,0,0,2|2,0,0]=4 585 B23R3.19159989 CC(=O)CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000053229 [0,0,0,0,0,2|2,0,0]=4 586 B23R3.19159989 CC(=O)CCOCc1c2ccccc2cc3c1cccc3 7a_100000759926_100009992879 [0,0,0,0,0,2|2,0,0]=4 587 B23R3.19159989 CC(=O)CCOCc1c2ccccc2nc3c1cccc3 7a_100000759926_100009813545 [0,0,0,0,0,2|2,0,0]=4 588 B23R3.19159989 CC(=O)CCSCc1c2ccccc2nc3c1cccc3 62a_100009813545_100000053229 [0,0,0,0,0,2|2,0,0]=4 589 B23R3.19159989 NC(=O)CCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100102525003 [0,0,0,0,0,2|2,0,0]=4 590 B23R3.19159989 NC(=O)CCCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100102525003 [0,0,0,0,0,2|2,0,0]=4 591 B23R3.19159989 NC(=O)CCCSc1c2ccccc2cc3c1cccc3 62a_100102525003_100000185772 [0,0,0,0,0,2|2,0,0]=4 592 B23R3.19159989 NC(=O)CCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100102525003 [0,0,0,0,0,2|2,0,0]=4 593 B23R3.19159989 NC(=O)CCNCc1c2ccccc2cc3c1cccc3 207a_100000740010_100000261405 [0,0,0,0,0,2|2,0,0]=4 594 B23R3.19159989 NC(=O)CCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000731001 [0,0,0,0,0,2|2,0,0]=4 595 B23R3.19159989 NC(=O)CCOCc1c2ccccc2cc3c1cccc3 34a_100000757172_100009992879 [0,0,0,0,0,2|2,0,0]=4 596 B23R3.19159989 NC(=O)CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000744528 [0,0,0,0,0,2|2,0,0]=4 597 B23R3.19159989 NC(=O)CCOCc1c2ccccc2cc3c1cccc3 7a_100000757172_100009992879 [0,0,0,0,0,2|2,0,0]=4 598 B23R3.19159989 NC(=O)CCOCc1c2ccccc2nc3c1cccc3 7a_100000757172_100009813545 [0,0,0,0,0,2|2,0,0]=4 599 B23R3.19159989 NC(=O)CCSCc1c2ccccc2cc3c1cccc3 62a_100000744528_100009992879 [0,0,0,0,0,2|2,0,0]=4 600 B23R3.19159989 NC(=O)CCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000744528 [0,0,0,0,0,2|2,0,0]=4 601 B23R3.19159989 NC(=O)CCSCc1c2ccccc2nc3c1cccc3 62a_100009813545_100000744528 [0,0,0,0,0,2|2,0,0]=4 602 B23R3.19159989 O=C(O)CONCc1c2ccccc2cc3c1cccc3 269956a_100000106656_100009992879 [0,0,0,0,0,2|2,0,0]=4 603 B23R3.19220797 C=C(C)CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000730704 [0,0,0,0,0,2|2,0,0]=4 604 B23R3.19220797 CC(=CCOCCn1c2ccccc2c3c1cccc3)C 34a_100000297428_100000761012 [0,0,0,0,0,2|2,0,0]=4 605 B23R3.19220797 CC(=O)CCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000735457 [0,0,0,0,0,2|2,0,0]=4 606 B23R3.19220797 CC(=O)CCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100000685027 [0,0,0,0,0,2|2,0,0]=4 607 B23R3.19220797 CC(=O)CCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100000685027 [0,0,0,0,0,2|2,0,0]=4 608 B23R3.19220797 CC(=O)CCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100011215641 [0,0,0,0,0,2|2,0,0]=4 609 B23R3.19220797 CC(=O)NCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_100000189650 [0,0,0,0,0,2|2,0,0]=4 610 B23R3.19220797 CC(=O)NCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100000189650 [0,0,0,0,0,2|2,0,0]=4 611 B23R3.19220797 CC(=O)OCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000042594 [0,0,0,0,0,2|2,0,0]=4 612 B23R3.19220797 CC(=O)OCCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000042594 [0,0,0,0,0,2|2,0,0]=4 613 B23R3.19220797 CC(=O)OCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100009814007 [0,0,0,0,0,2|2,0,0]=4 614 B23R3.19220797 CC(=O)OCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100009814007 [0,0,0,0,0,2|2,0,0]=4 615 B23R3.19220797 CC(=O)OCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100009814007 [0,0,0,0,0,2|2,0,0]=4 616 B23R3.19220797 CC(=O)OCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100009813279 [0,0,0,0,0,2|1,0,0]=3 617 B23R3.19220797 CC(=O)SCCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000038929 [0,0,0,0,0,2|2,0,0]=4 618 B23R3.19220797 CC(=O)SCCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000038929 [0,0,0,0,0,2|2,0,0]=4 619 B23R3.19220797 CC(O)CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100012276601 [0,0,0,0,0,2|1,0,1]=4 620 B23R3.19220797 NC(=O)CCCCOC1c2ccccc2-c3c1cccc3 7a_100012022536_100000211598 [0,0,0,0,0,2|2,0,0]=4 621 B23R3.19220797 NC(=O)CCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_100102525003 [0,0,0,0,0,2|2,0,0]=4 622 B23R3.19220797 NC(=O)CCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_100102525003 [0,0,0,0,0,2|2,0,0]=4 623 B23R3.19220797 NC(=O)CCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_100102525003 [0,0,0,0,0,2|2,0,0]=4 624 B23R3.19220797 NC(=O)CCOCCn1c2ccccc2c3c1cccc3 34a_100000297428_100000731001 [0,0,0,0,0,2|1,0,0]=3 625 B23R3.19220797 NC(=O)COCCNC1c2ccccc2-c3c1cccc3 2230a_100000104097_100000076697 [0,0,0,0,0,2|2,0,0]=4 626 B23R3.19220797 NC(=O)COCCOC1c2ccccc2-c3c1cccc3 7a_100000211495_100000076697 [0,0,0,0,0,2|2,0,0]=4 627 B23R3.19220797 NC(=O)COCCSC1c2ccccc2-c3c1cccc3 62a_100000211598_100000076697 [0,0,0,0,0,2|2,0,0]=4 628 B23R3.19220797 NC(=O)NCCNCC1c2ccccc2-c3c1cccc3 2230a_100016995487_200000034859 [0,0,0,0,0,2|2,0,0]=4 629 B23R3.19220797 NC(=O)NCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_200000034859 [0,0,0,0,0,2|2,0,0]=4 630 B23R3.19220797 NC(=O)OCCNCC1c2ccccc2-c3c1cccc3 34a_100016995487_200011214921 [0,0,0,0,0,2|2,0,0]=4 631 B23R3.19220797 NC(=O)OCCOCC1c2ccccc2-c3c1cccc3 34a_100011215202_200011214921 [0,0,0,0,0,2|2,0,0]=4 632 B23R3.19220797 NC(=O)OCCOCC1c2ccccc2-c3c1cccc3 7a_100011215202_200011214921 [0,0,0,0,0,2|2,0,0]=4 633 B23R3.19220797 O=C(O)COCCNC1c2ccccc2-c3c1cccc3 269956a_100000700818_100000211598 [0,0,0,0,0,2|1,0,0]=3 634 B23R3.26194044 CC(=O)CCCNc1cc2ccccc2c3c1cccc3 34a_100000029970_100000685027 [0,0,0,0,0,2|2,0,0]=4 635 B23R3.26194044 CC(=O)CCCOc1cc2ccccc2c3c1cccc3 34a_100000036577_100000685027 [0,0,0,0,0,2|2,0,0]=4 636 B23R3.26194044 CC(=O)CCCOc1cc2ccccc2c3c1cccc3 7a_100000036577_100011215641 [0,0,0,0,0,2|2,0,0]=4 637 B23R3.26194044 CC(=O)CCCSc1nc2ccccc2c3c1cccc3 62a_100011215641_100000028652 [0,0,0,0,0,2|2,0,0]=4 638 B23R3.26194044 NC(=O)CCCNc1cc2ccccc2c3c1cccc3 34a_100000029970_100102525003 [0,0,0,0,0,2|2,0,0]=4 639 B23R3.26194044 NC(=O)CCCNc1nc2ccccc2c3c1cccc3 27a_100000739312_100000028652 [0,0,0,0,0,2|2,0,0]=4 640 B23R3.26194044 NC(=O)CCCOc1cc2ccccc2c3c1cccc3 34a_100000036577_100102525003 [0,0,0,0,0,2|2,0,0]=4 641 B23R3.26194044 NC(=O)CCCOc1cc2ccccc2c3c1cccc3 7a_100000036577_100102525003 [0,0,0,0,0,2|2,0,0]=4 642 B23R3.26194044 NC(=O)CCCSc1cc2ccccc2c3c1cccc3 62a_100102525003_100009813645 [0,0,0,0,0,2|2,0,0]=4 643 B23R3.26194044 NC(=O)CCCSc1nc2ccccc2c3c1cccc3 62a_100102525003_100000028652 [0,0,0,0,0,2|2,0,0]=4 644 B23R3.26194044 NC(=O)CCNCc1cc2ccccc2c3c1cccc3 207a_100000740010_100000033530 [0,0,0,0,0,2|2,0,0]=4 645 B23R3.19281841 O=C(O)CNCC1=Nc2ccccc2Cc3c1cccc3 269956a_100016091260_200015227246 [0,0,0,0,0,2|2,0,0]=4