0 B19R3.62413 C1=CCC(C1)COCc2ccc3ncoc3c2 34a_100000688395_106359897996 [0,0,0,0,0,0|2,0,2]=4 1 B19R3.62413 C1=CCC(C1)COCc2ccc3ncsc3c2 34a_100000688395_100009847474 [0,0,0,0,0,0|2,0,2]=4 2 B19R3.62413 c1c[nH]c(n1)CNCc2ccc3nc[nH]c3c2 207a_100000754540_100000059205 [0,0,0,0,0,0|2,0,2]=4 3 B19R3.62413 c1c[nH]c(n1)CNCc2ccc3nc[nH]c3c2 270004a_100000754540_100000059205 [0,0,0,0,0,0|2,0,2]=4 4 B19R3.62413 c1cc(co1)CNCc2ccc3ncoc3c2 207a_100015206860_100000059852 [0,0,0,0,0,0|2,0,2]=4 5 B19R3.62413 c1cc(co1)CNCc2ccc3ncoc3c2 2230a_100015206860_106359897996 [0,0,0,0,0,0|2,0,2]=4 6 B19R3.62413 c1cc(co1)CNCc2ccc3ncoc3c2 270004a_100015206860_100000059852 [0,0,0,0,0,0|2,0,2]=4 7 B19R3.62413 c1cc(co1)CNCc2ccc3ncoc3c2 34a_100015206860_106359897996 [0,0,0,0,0,0|2,0,2]=4 8 B19R3.62413 c1cc(co1)CNCc2ccc3ncsc3c2 207a_100015206860_100009861089 [0,0,0,0,0,0|2,0,2]=4 9 B19R3.62413 c1cc(co1)CNCc2ccc3ncsc3c2 2230a_100015206860_100009847474 [0,0,0,0,0,0|2,0,2]=4 10 B19R3.62413 c1cc(co1)CNCc2ccc3ncsc3c2 270004a_100015206860_100009861089 [0,0,0,0,0,0|2,0,2]=4 11 B19R3.62413 c1cc(co1)CNCc2ccc3ncsc3c2 34a_100015206860_100009847474 [0,0,0,0,0,0|2,0,2]=4 12 B19R3.62413 c1cc(cs1)CNCc2ccc3ncsc3c2 207a_100000186416_100009861089 [0,0,0,0,0,0|2,0,2]=4 13 B19R3.62413 c1cc(cs1)CNCc2ccc3ncsc3c2 2230a_100000186416_100009847474 [0,0,0,0,0,0|2,0,2]=4 14 B19R3.62413 c1cc(cs1)CNCc2ccc3ncsc3c2 270004a_100000186416_100009861089 [0,0,0,0,0,0|2,0,2]=4 15 B19R3.62413 c1cc(cs1)CNCc2ccc3ncsc3c2 34a_100000186416_100009847474 [0,0,0,0,0,0|2,0,2]=4 16 B19R3.62413 c1cc(n[nH]1)CNCc2ccc3cc[nH]c3c2 207a_100000739516_100011218920 [0,0,0,0,0,0|3,0,1]=4 17 B19R3.62413 c1cc(n[nH]1)CNCc2ccc3cc[nH]c3c2 207a_100011912548_100000738523 [0,0,0,0,0,0|3,0,1]=4 18 B19R3.62413 c1cc(n[nH]1)CNCc2ccc3cc[nH]c3c2 270004a_100011912548_100000738523 [0,0,0,0,0,0|3,0,1]=4 19 B19R3.62413 c1cc(n[nH]1)CNCc2ccc3nc[nH]c3c2 207a_100000739516_100000059205 [0,0,0,0,0,0|2,0,1]=3 20 B19R3.62413 c1cc(n[nH]1)CNCc2ccc3ncoc3c2 207a_100000739516_100000059852 [0,0,0,0,0,0|3,0,1]=4 21 B19R3.62413 c1cc(n[nH]1)CNCc2ccc3ncsc3c2 207a_100000739516_100009861089 [0,0,0,0,0,0|3,0,1]=4 22 B19R3.62413 c1cc(no1)CNCc2ccc3ncoc3c2 207a_100000688301_100000059852 [0,0,0,0,0,0|3,0,1]=4 23 B19R3.62413 c1cc(no1)CNCc2ccc3ncoc3c2 270004a_100000688301_100000059852 [0,0,0,0,0,0|3,0,1]=4 24 B19R3.62413 c1cc(no1)CNCc2ccc3ncsc3c2 207a_100000688301_100009861089 [0,0,0,0,0,0|3,0,1]=4 25 B19R3.62413 c1cc(no1)CNCc2ccc3ncsc3c2 270004a_100000688301_100009861089 [0,0,0,0,0,0|3,0,1]=4 26 B19R3.62413 c1cc2cc(ccc2[nH]1)CNCC3CCCC3 207a_100000737975_100011197475 [0,0,0,0,0,0|1,0,3]=4 27 B19R3.62413 c1cc2cc(ccc2[nH]1)CNCC3CCCC3 269862a_100011837653_100000746403 [0,0,0,0,0,0|1,0,3]=4 28 B19R3.62413 c1cc2cc(ccc2[nH]1)CNCC3CCCC3 270004a_100000737975_100011197475 [0,0,0,0,0,0|1,0,3]=4 29 B19R3.62413 c1cc2cc(ccc2[nH]1)CNCC3CCOC3 207a_100000737293_100011197475 [0,0,0,0,0,0|2,0,2]=4 30 B19R3.62413 c1cc2cc(ccc2[nH]1)CNCC3CCOC3 270004a_100000737293_100011197475 [0,0,0,0,0,0|2,0,2]=4 31 B19R3.62413 c1cc2cc(ccc2[nH]1)CNC[C@@H]3CCCO3 207a_100020590478_100011197475 [0,0,0,0,0,0|2,0,2]=4 32 B19R3.62413 c1cc2cc(ccc2[nH]1)CNC[C@@H]3CCCO3 270004a_100020590478_100011197475 [0,0,0,0,0,0|2,0,2]=4 33 B19R3.62413 c1cc2cc(ccc2o1)CNCC3CCCC3 207a_100000737975_100000040644 [0,0,0,0,0,0|2,0,2]=4 34 B19R3.62413 c1cc2cc(ccc2o1)CNCC3CCCC3 2230a_100020591328_100000740388 [0,0,0,0,0,0|2,0,2]=4 35 B19R3.62413 c1cc2cc(ccc2o1)CNCC3CCCC3 269862a_100020591328_100000746403 [0,0,0,0,0,0|2,0,2]=4 36 B19R3.62413 c1cc2cc(ccc2o1)CNCC3CCCC3 270004a_100000737975_100000040644 [0,0,0,0,0,0|2,0,2]=4 37 B19R3.62413 c1cc2cc(ccc2o1)CNCC3CCCC3 34a_100020591328_100000740388 [0,0,0,0,0,0|2,0,2]=4 38 B19R3.62413 c1cc2cc(ccc2o1)CNCC3CCCO3 2230a_100020591328_100000203698 [0,0,0,0,0,0|3,0,1]=4 39 B19R3.62413 c1cc2cc(ccc2o1)CNCC3CCOC3 207a_100000737293_100000040644 [0,0,0,0,0,0|3,0,1]=4 40 B19R3.62413 c1cc2cc(ccc2o1)CNCC3CCOC3 2230a_100020591328_100000702531 [0,0,0,0,0,0|3,0,1]=4 41 B19R3.62413 c1cc2cc(ccc2o1)CNCC3CCOC3 270004a_100000737293_100000040644 [0,0,0,0,0,0|3,0,1]=4 42 B19R3.62413 c1cc2cc(ccc2o1)CNCC3CCOC3 34a_100020591328_100011261433 [0,0,0,0,0,0|3,0,1]=4 43 B19R3.62413 c1cc2cc(ccc2o1)CNC[C@@H]3CCCO3 207a_100020590478_100000040644 [0,0,0,0,0,0|3,0,1]=4 44 B19R3.62413 c1cc2cc(ccc2o1)CNC[C@@H]3CCCO3 270004a_100020590478_100000040644 [0,0,0,0,0,0|3,0,1]=4 45 B19R3.62413 c1cc2cc(ccc2s1)CNCC3CCCC3 207a_100000737975_100000050658 [0,0,0,0,0,0|2,0,2]=4 46 B19R3.62413 c1cc2cc(ccc2s1)CNCC3CCCC3 2230a_100000732457_100000740388 [0,0,0,0,0,0|2,0,2]=4 47 B19R3.62413 c1cc2cc(ccc2s1)CNCC3CCCC3 269862a_100000732457_100000746403 [0,0,0,0,0,0|2,0,2]=4 48 B19R3.62413 c1cc2cc(ccc2s1)CNCC3CCCC3 270004a_100000737975_100000050658 [0,0,0,0,0,0|2,0,2]=4 49 B19R3.62413 c1cc2cc(ccc2s1)CNCC3CCCC3 34a_100000732457_100000740388 [0,0,0,0,0,0|2,0,2]=4 50 B19R3.62413 c1cc2cc(ccc2s1)CNCC3CCCO3 2230a_100000732457_100000203698 [0,0,0,0,0,0|3,0,1]=4 51 B19R3.62413 c1cc2cc(ccc2s1)CNCC3CCOC3 207a_100000737293_100000050658 [0,0,0,0,0,0|3,0,1]=4 52 B19R3.62413 c1cc2cc(ccc2s1)CNCC3CCOC3 2230a_100000732457_100000702531 [0,0,0,0,0,0|3,0,1]=4 53 B19R3.62413 c1cc2cc(ccc2s1)CNCC3CCOC3 270004a_100000737293_100000050658 [0,0,0,0,0,0|3,0,1]=4 54 B19R3.62413 c1cc2cc(ccc2s1)CNCC3CCOC3 34a_100000732457_100011261433 [0,0,0,0,0,0|3,0,1]=4 55 B19R3.62413 c1cc2cc(ccc2s1)CNC[C@@H]3CCCO3 207a_100020590478_100000050658 [0,0,0,0,0,0|3,0,1]=4 56 B19R3.62413 c1cc2cc(ccc2s1)CNC[C@@H]3CCCO3 270004a_100020590478_100000050658 [0,0,0,0,0,0|3,0,1]=4 57 B19R3.62413 c1cc2cc(ccn2n1)CNCC3CCCC3 207a_100000737975_100009861398 [0,0,0,0,0,0|2,0,2]=4 58 B19R3.62413 c1cc2cc(ccn2n1)CNCC3CCCC3 270004a_100000737975_100009861398 [0,0,0,0,0,0|2,0,2]=4 59 B19R3.62413 c1cc2cc(ccn2n1)CNCC3CCOC3 207a_100000737293_100009861398 [0,0,0,0,0,0|3,0,1]=4 60 B19R3.62413 c1cc2cc(ccn2n1)CNCC3CCOC3 270004a_100000737293_100009861398 [0,0,0,0,0,0|3,0,1]=4 61 B19R3.62413 c1cc2cc(ccn2n1)CNC[C@@H]3CCCO3 207a_100020590478_100009861398 [0,0,0,0,0,0|3,0,1]=4 62 B19R3.62413 c1cc2cc(ccn2n1)CNC[C@@H]3CCCO3 270004a_100020590478_100009861398 [0,0,0,0,0,0|3,0,1]=4 63 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCC3CCCC3 207a_100000737975_100011218920 [0,0,0,0,0,0|1,0,2]=3 64 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCC3CCCC3 269862a_100011912548_100000746403 [0,0,0,0,0,0|1,0,2]=3 65 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCC3CCCC3 270004a_100000737975_100011218920 [0,0,0,0,0,0|1,0,2]=3 66 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCC3CCOC3 207a_100000737293_100011218920 [0,0,0,0,0,0|2,0,1]=3 67 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCC3CCOC3 270004a_100000737293_100011218920 [0,0,0,0,0,0|2,0,1]=3 68 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCC3OCCO3 207a_100000036311_100011218920 [0,0,0,0,0,0|3,0,1]=4 69 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCC3OCCO3 270004a_100000036311_100011218920 [0,0,0,0,0,0|3,0,1]=4 70 B19R3.62413 c1cc2ccc(cc2[nH]1)CNC[C@@H]3CCCO3 207a_100020590478_100011218920 [0,0,0,0,0,0|2,0,1]=3 71 B19R3.62413 c1cc2ccc(cc2[nH]1)CNC[C@@H]3CCCO3 270004a_100020590478_100011218920 [0,0,0,0,0,0|2,0,1]=3 72 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCc3ccoc3 207a_100011912548_100011215517 [0,0,0,0,0,0|2,0,2]=4 73 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCc3ccoc3 207a_100015206860_100011218920 [0,0,0,0,0,0|2,0,2]=4 74 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCc3ccoc3 270004a_100011912548_100011215517 [0,0,0,0,0,0|2,0,2]=4 75 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCc3ccoc3 270004a_100015206860_100011218920 [0,0,0,0,0,0|2,0,2]=4 76 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCc3ccon3 207a_100000688301_100011218920 [0,0,0,0,0,0|3,0,1]=4 77 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCc3ccon3 270004a_100000688301_100011218920 [0,0,0,0,0,0|3,0,1]=4 78 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCc3ccsc3 207a_100000186416_100011218920 [0,0,0,0,0,0|2,0,2]=4 79 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCc3ccsc3 207a_100011912548_100000188534 [0,0,0,0,0,0|2,0,2]=4 80 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCc3ccsc3 270004a_100000186416_100011218920 [0,0,0,0,0,0|2,0,2]=4 81 B19R3.62413 c1cc2ccc(cc2[nH]1)CNCc3ccsc3 270004a_100011912548_100000188534 [0,0,0,0,0,0|2,0,2]=4 82 B19R3.62413 c1cc2ccc(cc2s1)CNCC3CCCC3 207a_100000737975_100000112508 [0,0,0,0,0,0|2,0,2]=4 83 B19R3.62413 c1cc2ccc(cc2s1)CNCC3CCCC3 270004a_100000737975_100000112508 [0,0,0,0,0,0|2,0,2]=4 84 B19R3.62413 c1cc2ccc(cc2s1)CNCC3CCOC3 207a_100000737293_100000112508 [0,0,0,0,0,0|3,0,1]=4 85 B19R3.62413 c1cc2ccc(cc2s1)CNCC3CCOC3 270004a_100000737293_100000112508 [0,0,0,0,0,0|3,0,1]=4 86 B19R3.62413 c1cc2ccc(cc2s1)CNC[C@@H]3CCCO3 207a_100020590478_100000112508 [0,0,0,0,0,0|3,0,1]=4 87 B19R3.62413 c1cc2ccc(cc2s1)CNC[C@@H]3CCCO3 270004a_100020590478_100000112508 [0,0,0,0,0,0|3,0,1]=4 88 B19R3.62413 c1cc2ccc(nc2[nH]1)CNCC3CCCC3 207a_100000737975_100000089654 [0,0,0,0,0,0|2,0,2]=4 89 B19R3.62413 c1cc2ccc(nc2[nH]1)CNCC3CCCC3 270004a_100000737975_100000089654 [0,0,0,0,0,0|2,0,2]=4 90 B19R3.62413 c1cc2ccc(nc2[nH]1)CNCC3CCOC3 207a_100000737293_100000089654 [0,0,0,0,0,0|3,0,1]=4 91 B19R3.62413 c1cc2ccc(nc2[nH]1)CNCC3CCOC3 270004a_100000737293_100000089654 [0,0,0,0,0,0|3,0,1]=4 92 B19R3.62413 c1cc2ccc(nc2[nH]1)CNC[C@@H]3CCCO3 207a_100020590478_100000089654 [0,0,0,0,0,0|3,0,1]=4 93 B19R3.62413 c1cc2ccc(nc2[nH]1)CNC[C@@H]3CCCO3 270004a_100020590478_100000089654 [0,0,0,0,0,0|3,0,1]=4 94 B19R3.62413 c1cc2cn[nH]c2cc1CNCC3CCCC3 207a_100000737975_100137314666 [0,0,0,0,0,0|2,0,2]=4 95 B19R3.62413 c1cc2cn[nH]c2cc1CNCC3CCCC3 2230a_100000737975_100020605281 [0,0,0,0,0,0|2,0,2]=4 96 B19R3.62413 c1cc2cn[nH]c2cc1CNCC3CCCC3 269862a_100011769419_100000746403 [0,0,0,0,0,0|2,0,2]=4 97 B19R3.62413 c1cc2cn[nH]c2cc1CNCC3CCCC3 270004a_100000737975_100137314666 [0,0,0,0,0,0|2,0,2]=4 98 B19R3.62413 c1cc2cn[nH]c2cc1CNCC3CCCC3 34a_100000737975_100020605281 [0,0,0,0,0,0|2,0,2]=4 99 B19R3.62413 c1cc2cn[nH]c2cc1CNCC3CCOC3 207a_100000737293_100137314666 [0,0,0,0,0,0|3,0,1]=4 100 B19R3.62413 c1cc2cn[nH]c2cc1CNCC3CCOC3 2230a_100000737293_100020605281 [0,0,0,0,0,0|3,0,1]=4 101 B19R3.62413 c1cc2cn[nH]c2cc1CNCC3CCOC3 270004a_100000737293_100137314666 [0,0,0,0,0,0|3,0,1]=4 102 B19R3.62413 c1cc2cn[nH]c2cc1CNCC3CCOC3 34a_100000737293_100020605281 [0,0,0,0,0,0|3,0,1]=4 103 B19R3.62413 c1cc2cn[nH]c2cc1CNC[C@@H]3CCCO3 207a_100020590478_100137314666 [0,0,0,0,0,0|3,0,1]=4 104 B19R3.62413 c1cc2cn[nH]c2cc1CNC[C@@H]3CCCO3 2230a_100020590478_100020605281 [0,0,0,0,0,0|3,0,1]=4 105 B19R3.62413 c1cc2cn[nH]c2cc1CNC[C@@H]3CCCO3 270004a_100020590478_100137314666 [0,0,0,0,0,0|3,0,1]=4 106 B19R3.62413 c1cc2cn[nH]c2cc1CNC[C@@H]3CCCO3 34a_100020590478_100020605281 [0,0,0,0,0,0|3,0,1]=4 107 B19R3.62413 c1cc2n[nH]cc2cc1CNCC3CCCC3 207a_100000737975_100000068381 [0,0,0,0,0,0|2,0,2]=4 108 B19R3.62413 c1cc2n[nH]cc2cc1CNCC3CCCC3 270004a_100000737975_100000068381 [0,0,0,0,0,0|2,0,2]=4 109 B19R3.62413 c1cc2n[nH]cc2cc1CNCC3CCOC3 207a_100000737293_100000068381 [0,0,0,0,0,0|3,0,1]=4 110 B19R3.62413 c1cc2n[nH]cc2cc1CNCC3CCOC3 270004a_100000737293_100000068381 [0,0,0,0,0,0|3,0,1]=4 111 B19R3.62413 c1cc2n[nH]cc2cc1CNC[C@@H]3CCCO3 207a_100020590478_100000068381 [0,0,0,0,0,0|3,0,1]=4 112 B19R3.62413 c1cc2n[nH]cc2cc1CNC[C@@H]3CCCO3 270004a_100020590478_100000068381 [0,0,0,0,0,0|3,0,1]=4 113 B19R3.62413 c1cc2ncc(cc2[nH]1)CNCC3CCCC3 207a_100000737975_100000094745 [0,0,0,0,0,0|2,0,2]=4 114 B19R3.62413 c1cc2ncc(cc2[nH]1)CNCC3CCCC3 270004a_100000737975_100000094745 [0,0,0,0,0,0|2,0,2]=4 115 B19R3.62413 c1cc2ncc(cc2[nH]1)CNCC3CCOC3 207a_100000737293_100000094745 [0,0,0,0,0,0|3,0,1]=4 116 B19R3.62413 c1cc2ncc(cc2[nH]1)CNCC3CCOC3 270004a_100000737293_100000094745 [0,0,0,0,0,0|3,0,1]=4 117 B19R3.62413 c1cc2ncc(cc2[nH]1)CNC[C@@H]3CCCO3 207a_100020590478_100000094745 [0,0,0,0,0,0|3,0,1]=4 118 B19R3.62413 c1cc2ncc(cc2[nH]1)CNC[C@@H]3CCCO3 270004a_100020590478_100000094745 [0,0,0,0,0,0|3,0,1]=4 119 B19R3.62413 c1cc2nonc2cc1CNCC3CCCC3 2230a_100000737975_100000733437 [0,0,0,0,0,0|1,0,3]=4 120 B19R3.62413 c1cc2nonc2cc1CNCC3CCCC3 269862a_100015186617_100000746403 [0,0,0,0,0,0|1,0,3]=4 121 B19R3.62413 c1cc2nonc2cc1CNCC3CCCC3 270004a_100000737975_100000042170 [0,0,0,0,0,0|1,0,3]=4 122 B19R3.62413 c1cc2nonc2cc1CNCC3CCCC3 34a_100000737975_100000733437 [0,0,0,0,0,0|1,0,3]=4 123 B19R3.62413 c1cc2nonc2cc1CNCC3CCOC3 2230a_100000737293_100000733437 [0,0,0,0,0,0|2,0,2]=4 124 B19R3.62413 c1cc2nonc2cc1CNCC3CCOC3 270004a_100000737293_100000042170 [0,0,0,0,0,0|2,0,2]=4 125 B19R3.62413 c1cc2nonc2cc1CNCC3CCOC3 34a_100000737293_100000733437 [0,0,0,0,0,0|2,0,2]=4 126 B19R3.62413 c1cc2nonc2cc1CNC[C@@H]3CCCO3 2230a_100020590478_100000733437 [0,0,0,0,0,0|2,0,2]=4 127 B19R3.62413 c1cc2nonc2cc1CNC[C@@H]3CCCO3 270004a_100020590478_100000042170 [0,0,0,0,0,0|2,0,2]=4 128 B19R3.62413 c1cc2nonc2cc1CNC[C@@H]3CCCO3 34a_100020590478_100000733437 [0,0,0,0,0,0|2,0,2]=4 129 B19R3.62413 c1cc2nsnc2cc1CNCC3CCCC3 207a_100000737975_100000042169 [0,0,0,0,0,0|1,0,3]=4 130 B19R3.62413 c1cc2nsnc2cc1CNCC3CCCC3 2230a_100000737975_100000187484 [0,0,0,0,0,0|1,0,3]=4 131 B19R3.62413 c1cc2nsnc2cc1CNCC3CCCC3 269862a_200020606664_100000746403 [0,0,0,0,0,0|1,0,3]=4 132 B19R3.62413 c1cc2nsnc2cc1CNCC3CCCC3 270004a_100000737975_100000042169 [0,0,0,0,0,0|1,0,3]=4 133 B19R3.62413 c1cc2nsnc2cc1CNCC3CCCC3 34a_100000737975_100000187484 [0,0,0,0,0,0|1,0,3]=4 134 B19R3.62413 c1cc2nsnc2cc1CNCC3CCOC3 207a_100000737293_100000042169 [0,0,0,0,0,0|2,0,2]=4 135 B19R3.62413 c1cc2nsnc2cc1CNCC3CCOC3 2230a_100000737293_100000187484 [0,0,0,0,0,0|2,0,2]=4 136 B19R3.62413 c1cc2nsnc2cc1CNCC3CCOC3 270004a_100000737293_100000042169 [0,0,0,0,0,0|2,0,2]=4 137 B19R3.62413 c1cc2nsnc2cc1CNCC3CCOC3 34a_100000737293_100000187484 [0,0,0,0,0,0|2,0,2]=4 138 B19R3.62413 c1cc2nsnc2cc1CNC[C@@H]3CCCO3 207a_100020590478_100000042169 [0,0,0,0,0,0|2,0,2]=4 139 B19R3.62413 c1cc2nsnc2cc1CNC[C@@H]3CCCO3 2230a_100020590478_100000187484 [0,0,0,0,0,0|2,0,2]=4 140 B19R3.62413 c1cc2nsnc2cc1CNC[C@@H]3CCCO3 270004a_100020590478_100000042169 [0,0,0,0,0,0|2,0,2]=4 141 B19R3.62413 c1cc2nsnc2cc1CNC[C@@H]3CCCO3 34a_100020590478_100000187484 [0,0,0,0,0,0|2,0,2]=4 142 B19R3.62413 c1cn2cc(ccc2n1)CNCC3CCCC3 207a_100000737975_100000059712 [0,0,0,0,0,0|2,0,2]=4 143 B19R3.62413 c1cn2cc(ccc2n1)CNCC3CCCC3 270004a_100000737975_100000059712 [0,0,0,0,0,0|2,0,2]=4 144 B19R3.62413 c1cn2cc(ccc2n1)CNCC3CCOC3 207a_100000737293_100000059712 [0,0,0,0,0,0|3,0,1]=4 145 B19R3.62413 c1cn2cc(ccc2n1)CNCC3CCOC3 270004a_100000737293_100000059712 [0,0,0,0,0,0|3,0,1]=4 146 B19R3.62413 c1cn2cc(ccc2n1)CNC[C@@H]3CCCO3 207a_100020590478_100000059712 [0,0,0,0,0,0|3,0,1]=4 147 B19R3.62413 c1cn2cc(ccc2n1)CNC[C@@H]3CCCO3 270004a_100020590478_100000059712 [0,0,0,0,0,0|3,0,1]=4 148 B19R3.62413 c1coc(c1)CNCc2ccc3cc[nH]c3c2 207a_100000185738_100011218920 [0,0,0,0,0,0|2,0,2]=4 149 B19R3.62413 c1coc(c1)CNCc2ccc3cc[nH]c3c2 207a_100011912548_100000186105 [0,0,0,0,0,0|2,0,2]=4 150 B19R3.62413 c1coc(c1)CNCc2ccc3cc[nH]c3c2 270004a_100000185738_100011218920 [0,0,0,0,0,0|2,0,2]=4 151 B19R3.62413 c1coc(c1)CNCc2ccc3cc[nH]c3c2 270004a_100011912548_100000186105 [0,0,0,0,0,0|2,0,2]=4 152 B19R3.62413 c1coc(c1)CNCc2ccc3nc[nH]c3c2 207a_100000185738_100000059205 [0,0,0,0,0,0|1,0,2]=3 153 B19R3.62413 c1coc(c1)CNCc2ccc3nc[nH]c3c2 270004a_100000185738_100000059205 [0,0,0,0,0,0|1,0,2]=3 154 B19R3.62413 c1coc(c1)CNCc2ccc3ncoc3c2 207a_100000185738_100000059852 [0,0,0,0,0,0|2,0,2]=4 155 B19R3.62413 c1coc(c1)CNCc2ccc3ncoc3c2 2230a_100000185738_106359897996 [0,0,0,0,0,0|2,0,2]=4 156 B19R3.62413 c1coc(c1)CNCc2ccc3ncoc3c2 270004a_100000185738_100000059852 [0,0,0,0,0,0|2,0,2]=4 157 B19R3.62413 c1coc(c1)CNCc2ccc3ncoc3c2 34a_100000185738_106359897996 [0,0,0,0,0,0|2,0,2]=4 158 B19R3.62413 c1coc(c1)CNCc2ccc3ncsc3c2 207a_100000185738_100009861089 [0,0,0,0,0,0|2,0,2]=4 159 B19R3.62413 c1coc(c1)CNCc2ccc3ncsc3c2 2230a_100000185738_100009847474 [0,0,0,0,0,0|2,0,2]=4 160 B19R3.62413 c1coc(c1)CNCc2ccc3ncsc3c2 270004a_100000185738_100009861089 [0,0,0,0,0,0|2,0,2]=4 161 B19R3.62413 c1coc(c1)CNCc2ccc3ncsc3c2 34a_100000185738_100009847474 [0,0,0,0,0,0|2,0,2]=4 162 B19R3.62413 c1coc(n1)CNCc2ccc3nc[nH]c3c2 207a_100016994969_100000059205 [0,0,0,0,0,0|2,0,2]=4 163 B19R3.62413 c1csc(c1)CNCc2ccc3cc[nH]c3c2 207a_100000211653_100011218920 [0,0,0,0,0,0|2,0,2]=4 164 B19R3.62413 c1csc(c1)CNCc2ccc3cc[nH]c3c2 207a_100011912548_100000209959 [0,0,0,0,0,0|2,0,2]=4 165 B19R3.62413 c1csc(c1)CNCc2ccc3cc[nH]c3c2 270004a_100000211653_100011218920 [0,0,0,0,0,0|2,0,2]=4 166 B19R3.62413 c1csc(c1)CNCc2ccc3cc[nH]c3c2 270004a_100011912548_100000209959 [0,0,0,0,0,0|2,0,2]=4 167 B19R3.62413 c1csc(c1)CNCc2ccc3nc[nH]c3c2 207a_100000211653_100000059205 [0,0,0,0,0,0|1,0,2]=3 168 B19R3.62413 c1csc(c1)CNCc2ccc3nc[nH]c3c2 270004a_100000211653_100000059205 [0,0,0,0,0,0|1,0,2]=3 169 B19R3.62413 c1csc(c1)CNCc2ccc3ncoc3c2 207a_100000211653_100000059852 [0,0,0,0,0,0|2,0,2]=4 170 B19R3.62413 c1csc(c1)CNCc2ccc3ncoc3c2 2230a_100000211653_106359897996 [0,0,0,0,0,0|2,0,2]=4 171 B19R3.62413 c1csc(c1)CNCc2ccc3ncoc3c2 270004a_100000211653_100000059852 [0,0,0,0,0,0|2,0,2]=4 172 B19R3.62413 c1csc(c1)CNCc2ccc3ncsc3c2 207a_100000211653_100009861089 [0,0,0,0,0,0|2,0,2]=4 173 B19R3.62413 c1csc(c1)CNCc2ccc3ncsc3c2 2230a_100000211653_100009847474 [0,0,0,0,0,0|2,0,2]=4 174 B19R3.62413 c1csc(c1)CNCc2ccc3ncsc3c2 270004a_100000211653_100009861089 [0,0,0,0,0,0|2,0,2]=4 175 B19R3.62413 c1csc(n1)CNCc2ccc3nc[nH]c3c2 207a_100000740555_100000059205 [0,0,0,0,0,0|2,0,2]=4 176 B19R3.62413 c1csc(n1)CNCc2ccc3nc[nH]c3c2 270004a_100000740555_100000059205 [0,0,0,0,0,0|2,0,2]=4 177 B19R3.62413 c1nc(c[nH]1)CNCc2ccc3nc[nH]c3c2 207a_100000758547_100000059205 [0,0,0,0,0,0|2,0,2]=4 178 B19R3.62413 c1nc2cc(ccc2o1)CNCC3CCCC3 207a_100000737975_100010271902 [0,0,0,0,0,0|1,0,3]=4 179 B19R3.62413 c1nc2cc(ccc2o1)CNCC3CCCC3 2230a_100000737975_200010203175 [0,0,0,0,0,0|1,0,3]=4 180 B19R3.62413 c1nc2cc(ccc2o1)CNCC3CCCC3 270004a_100000737975_100010271902 [0,0,0,0,0,0|1,0,3]=4 181 B19R3.62413 c1nc2cc(ccc2o1)CNCC3CCCC3 34a_100000737975_200010203175 [0,0,0,0,0,0|1,0,3]=4 182 B19R3.62413 c1nc2cc(ccc2o1)CNCC3CCOC3 207a_100000737293_100010271902 [0,0,0,0,0,0|2,0,2]=4 183 B19R3.62413 c1nc2cc(ccc2o1)CNCC3CCOC3 2230a_100000737293_200010203175 [0,0,0,0,0,0|2,0,2]=4 184 B19R3.62413 c1nc2cc(ccc2o1)CNCC3CCOC3 270004a_100000737293_100010271902 [0,0,0,0,0,0|2,0,2]=4 185 B19R3.62413 c1nc2cc(ccc2o1)CNCC3CCOC3 34a_100000737293_200010203175 [0,0,0,0,0,0|2,0,2]=4 186 B19R3.62413 c1nc2cc(ccc2o1)CNC[C@@H]3CCCO3 207a_100020590478_100010271902 [0,0,0,0,0,0|2,0,2]=4 187 B19R3.62413 c1nc2cc(ccc2o1)CNC[C@@H]3CCCO3 2230a_100020590478_200010203175 [0,0,0,0,0,0|2,0,2]=4 188 B19R3.62413 c1nc2cc(ccc2o1)CNC[C@@H]3CCCO3 270004a_100020590478_100010271902 [0,0,0,0,0,0|2,0,2]=4 189 B19R3.62413 c1nc2cc(ccc2o1)CNC[C@@H]3CCCO3 34a_100020590478_200010203175 [0,0,0,0,0,0|2,0,2]=4 190 B19R3.62413 c1nc2cc(ccc2s1)CNCC3CCCC3 207a_100000737975_100000718305 [0,0,0,0,0,0|1,0,3]=4 191 B19R3.62413 c1nc2cc(ccc2s1)CNCC3CCCC3 270004a_100000737975_100000718305 [0,0,0,0,0,0|1,0,3]=4 192 B19R3.62413 c1nc2cc(ccc2s1)CNCC3CCOC3 207a_100000737293_100000718305 [0,0,0,0,0,0|2,0,2]=4 193 B19R3.62413 c1nc2cc(ccc2s1)CNCC3CCOC3 270004a_100000737293_100000718305 [0,0,0,0,0,0|2,0,2]=4 194 B19R3.62413 c1nc2cc(ccc2s1)CNC[C@@H]3CCCO3 207a_100020590478_100000718305 [0,0,0,0,0,0|2,0,2]=4 195 B19R3.62413 c1nc2cc(ccc2s1)CNC[C@@H]3CCCO3 270004a_100020590478_100000718305 [0,0,0,0,0,0|2,0,2]=4 196 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCC3CCCC3 207a_100000737975_100000059205 [0,0,0,0,0,0|0,0,2]=2 197 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCC3CCCC3 270004a_100000737975_100000059205 [0,0,0,0,0,0|0,0,2]=2 198 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCC3CCOC3 207a_100000737293_100000059205 [0,0,0,0,0,0|1,0,1]=2 199 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCC3CCOC3 270004a_100000737293_100000059205 [0,0,0,0,0,0|1,0,1]=2 200 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCC3OCCO3 207a_100000036311_100000059205 [0,0,0,0,0,0|2,0,1]=3 201 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCC3OCCO3 270004a_100000036311_100000059205 [0,0,0,0,0,0|2,0,1]=3 202 B19R3.62413 c1nc2ccc(cc2[nH]1)CNC[C@@H]3CCCO3 207a_100020590478_100000059205 [0,0,0,0,0,0|1,0,1]=2 203 B19R3.62413 c1nc2ccc(cc2[nH]1)CNC[C@@H]3CCCO3 270004a_100020590478_100000059205 [0,0,0,0,0,0|1,0,1]=2 204 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3c[nH]nn3 207a_100020620823_100000059205 [0,0,0,0,0,0|3,0,1]=4 205 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3c[nH]nn3 270004a_100020620823_100000059205 [0,0,0,0,0,0|3,0,1]=4 206 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3ccoc3 207a_100015206860_100000059205 [0,0,0,0,0,0|1,0,2]=3 207 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3ccoc3 270004a_100015206860_100000059205 [0,0,0,0,0,0|1,0,2]=3 208 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3ccon3 207a_100000688301_100000059205 [0,0,0,0,0,0|2,0,1]=3 209 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3ccon3 270004a_100000688301_100000059205 [0,0,0,0,0,0|2,0,1]=3 210 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3ccsc3 207a_100000186416_100000059205 [0,0,0,0,0,0|1,0,2]=3 211 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3ccsc3 270004a_100000186416_100000059205 [0,0,0,0,0,0|1,0,2]=3 212 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3cn[nH]c3 207a_100000737208_100000059205 [0,0,0,0,0,0|2,0,2]=4 213 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3cn[nH]c3 270004a_100000737208_100000059205 [0,0,0,0,0,0|2,0,2]=4 214 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3cnco3 207a_100020634212_100000059205 [0,0,0,0,0,0|2,0,2]=4 215 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3cnco3 270004a_100020634212_100000059205 [0,0,0,0,0,0|2,0,2]=4 216 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3cncs3 207a_100016987365_100000059205 [0,0,0,0,0,0|2,0,2]=4 217 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3cncs3 270004a_100016987365_100000059205 [0,0,0,0,0,0|2,0,2]=4 218 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3cocn3 207a_100015188801_100000059205 [0,0,0,0,0,0|2,0,2]=4 219 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3cocn3 270004a_100015188801_100000059205 [0,0,0,0,0,0|2,0,2]=4 220 B19R3.62413 c1nc2ccc(cc2[nH]1)CNCc3cscn3 207a_100015185402_100000059205 [0,0,0,0,0,0|2,0,2]=4 221 B19R3.62413 c1nc2ccc(cc2o1)CNCC3CCCC3 207a_100000737975_100000059852 [0,0,0,0,0,0|1,0,2]=3 222 B19R3.62413 c1nc2ccc(cc2o1)CNCC3CCCC3 2230a_100000737975_106359897996 [0,0,0,0,0,0|1,0,2]=3 223 B19R3.62413 c1nc2ccc(cc2o1)CNCC3CCCC3 270004a_100000737975_100000059852 [0,0,0,0,0,0|1,0,2]=3 224 B19R3.62413 c1nc2ccc(cc2o1)CNCC3CCCC3 34a_100000737975_106359897996 [0,0,0,0,0,0|1,0,2]=3 225 B19R3.62413 c1nc2ccc(cc2o1)CNCC3CCOC3 207a_100000737293_100000059852 [0,0,0,0,0,0|2,0,1]=3 226 B19R3.62413 c1nc2ccc(cc2o1)CNCC3CCOC3 2230a_100000737293_106359897996 [0,0,0,0,0,0|2,0,1]=3 227 B19R3.62413 c1nc2ccc(cc2o1)CNCC3CCOC3 270004a_100000737293_100000059852 [0,0,0,0,0,0|2,0,1]=3 228 B19R3.62413 c1nc2ccc(cc2o1)CNCC3CCOC3 34a_100000737293_106359897996 [0,0,0,0,0,0|2,0,1]=3 229 B19R3.62413 c1nc2ccc(cc2o1)CNCC3OCCO3 207a_100000036311_100000059852 [0,0,0,0,0,0|3,0,1]=4 230 B19R3.62413 c1nc2ccc(cc2o1)CNCC3OCCO3 2230a_100000036311_106359897996 [0,0,0,0,0,0|3,0,1]=4 231 B19R3.62413 c1nc2ccc(cc2o1)CNCC3OCCO3 270004a_100000036311_100000059852 [0,0,0,0,0,0|3,0,1]=4 232 B19R3.62413 c1nc2ccc(cc2o1)CNCC3OCCO3 34a_100000036311_106359897996 [0,0,0,0,0,0|3,0,1]=4 233 B19R3.62413 c1nc2ccc(cc2o1)CNC[C@@H]3CCCO3 207a_100020590478_100000059852 [0,0,0,0,0,0|2,0,1]=3 234 B19R3.62413 c1nc2ccc(cc2o1)CNC[C@@H]3CCCO3 2230a_100020590478_106359897996 [0,0,0,0,0,0|2,0,1]=3 235 B19R3.62413 c1nc2ccc(cc2o1)CNC[C@@H]3CCCO3 270004a_100020590478_100000059852 [0,0,0,0,0,0|2,0,1]=3 236 B19R3.62413 c1nc2ccc(cc2o1)CNC[C@@H]3CCCO3 34a_100020590478_106359897996 [0,0,0,0,0,0|2,0,1]=3 237 B19R3.62413 c1nc2ccc(cc2o1)CNCc3ccsc3 207a_100000186416_100000059852 [0,0,0,0,0,0|2,0,2]=4 238 B19R3.62413 c1nc2ccc(cc2o1)CNCc3ccsc3 2230a_100000186416_106359897996 [0,0,0,0,0,0|2,0,2]=4 239 B19R3.62413 c1nc2ccc(cc2o1)CNCc3ccsc3 270004a_100000186416_100000059852 [0,0,0,0,0,0|2,0,2]=4 240 B19R3.62413 c1nc2ccc(cc2o1)CNCc3ccsc3 34a_100000186416_106359897996 [0,0,0,0,0,0|2,0,2]=4 241 B19R3.62413 c1nc2ccc(cc2o1)COCC3CCCC3 34a_100000742336_106359897996 [0,0,0,0,0,0|2,0,2]=4 242 B19R3.62413 c1nc2ccc(cc2o1)COCC3CCCC3 7a_100000742336_106359897996 [0,0,0,0,0,0|2,0,2]=4 243 B19R3.62413 c1nc2ccc(cc2o1)COCC3CCCO3 34a_100000210270_106359897996 [0,0,0,0,0,0|3,0,1]=4 244 B19R3.62413 c1nc2ccc(cc2o1)COCC3CCCO3 7a_100000210270_106359897996 [0,0,0,0,0,0|3,0,1]=4 245 B19R3.62413 c1nc2ccc(cc2o1)COCC3CCNC3 34a_100000748654_106359897996 [0,0,0,0,0,0|3,0,1]=4 246 B19R3.62413 c1nc2ccc(cc2o1)COCC3CCOC3 34a_100000740260_106359897996 [0,0,0,0,0,0|3,0,1]=4 247 B19R3.62413 c1nc2ccc(cc2o1)COC[C@H]3CCCN3 34a_100000745186_106359897996 [0,0,0,0,0,0|3,0,1]=4 248 B19R3.62413 c1nc2ccc(cc2o1)CSCC3CCCC3 62a_100000740388_106359897996 [0,0,0,0,0,0|2,0,2]=4 249 B19R3.62413 c1nc2ccc(cc2o1)CSCC3CCCC3 62a_106359897996_100000740388 [0,0,0,0,0,0|2,0,2]=4 250 B19R3.62413 c1nc2ccc(cc2o1)CSCC3CCCO3 62a_100000203698_106359897996 [0,0,0,0,0,0|3,0,1]=4 251 B19R3.62413 c1nc2ccc(cc2o1)CSCC3CCCO3 62a_106359897996_100000203698 [0,0,0,0,0,0|3,0,1]=4 252 B19R3.62413 c1nc2ccc(cc2o1)CSCC3CCOC3 62a_100000702531_106359897996 [0,0,0,0,0,0|3,0,1]=4 253 B19R3.62413 c1nc2ccc(cc2o1)CSCC3CCOC3 62a_106359897996_100000702531 [0,0,0,0,0,0|3,0,1]=4 254 B19R3.62413 c1nc2ccc(cc2s1)CNCC3CCCC3 207a_100000737975_100009861089 [0,0,0,0,0,0|1,0,2]=3 255 B19R3.62413 c1nc2ccc(cc2s1)CNCC3CCCC3 2230a_100000737975_100009847474 [0,0,0,0,0,0|1,0,2]=3 256 B19R3.62413 c1nc2ccc(cc2s1)CNCC3CCCC3 270004a_100000737975_100009861089 [0,0,0,0,0,0|1,0,2]=3 257 B19R3.62413 c1nc2ccc(cc2s1)CNCC3CCCC3 34a_100000737975_100009847474 [0,0,0,0,0,0|1,0,2]=3 258 B19R3.62413 c1nc2ccc(cc2s1)CNCC3CCOC3 207a_100000737293_100009861089 [0,0,0,0,0,0|2,0,1]=3 259 B19R3.62413 c1nc2ccc(cc2s1)CNCC3CCOC3 2230a_100000737293_100009847474 [0,0,0,0,0,0|2,0,1]=3 260 B19R3.62413 c1nc2ccc(cc2s1)CNCC3CCOC3 270004a_100000737293_100009861089 [0,0,0,0,0,0|2,0,1]=3 261 B19R3.62413 c1nc2ccc(cc2s1)CNCC3CCOC3 34a_100000737293_100009847474 [0,0,0,0,0,0|2,0,1]=3 262 B19R3.62413 c1nc2ccc(cc2s1)CNCC3OCCO3 207a_100000036311_100009861089 [0,0,0,0,0,0|3,0,1]=4 263 B19R3.62413 c1nc2ccc(cc2s1)CNCC3OCCO3 2230a_100000036311_100009847474 [0,0,0,0,0,0|3,0,1]=4 264 B19R3.62413 c1nc2ccc(cc2s1)CNCC3OCCO3 270004a_100000036311_100009861089 [0,0,0,0,0,0|3,0,1]=4 265 B19R3.62413 c1nc2ccc(cc2s1)CNCC3OCCO3 34a_100000036311_100009847474 [0,0,0,0,0,0|3,0,1]=4 266 B19R3.62413 c1nc2ccc(cc2s1)CNC[C@@H]3CCCO3 207a_100020590478_100009861089 [0,0,0,0,0,0|2,0,1]=3 267 B19R3.62413 c1nc2ccc(cc2s1)CNC[C@@H]3CCCO3 2230a_100020590478_100009847474 [0,0,0,0,0,0|2,0,1]=3 268 B19R3.62413 c1nc2ccc(cc2s1)CNC[C@@H]3CCCO3 270004a_100020590478_100009861089 [0,0,0,0,0,0|2,0,1]=3 269 B19R3.62413 c1nc2ccc(cc2s1)CNC[C@@H]3CCCO3 34a_100020590478_100009847474 [0,0,0,0,0,0|2,0,1]=3 270 B19R3.62413 c1nc2ccc(cc2s1)COCC3CCCC3 34a_100000742336_100009847474 [0,0,0,0,0,0|2,0,2]=4 271 B19R3.62413 c1nc2ccc(cc2s1)COCC3CCCC3 7a_100000742336_100009847474 [0,0,0,0,0,0|2,0,2]=4 272 B19R3.62413 c1nc2ccc(cc2s1)COCC3CCCO3 34a_100000210270_100009847474 [0,0,0,0,0,0|3,0,1]=4 273 B19R3.62413 c1nc2ccc(cc2s1)COCC3CCCO3 7a_100000210270_100009847474 [0,0,0,0,0,0|3,0,1]=4 274 B19R3.62413 c1nc2ccc(cc2s1)COCC3CCNC3 34a_100000748654_100009847474 [0,0,0,0,0,0|3,0,1]=4 275 B19R3.62413 c1nc2ccc(cc2s1)COCC3CCOC3 34a_100000740260_100009847474 [0,0,0,0,0,0|3,0,1]=4 276 B19R3.62413 c1nc2ccc(cc2s1)COC[C@H]3CCCN3 34a_100000745186_100009847474 [0,0,0,0,0,0|3,0,1]=4 277 B19R3.62413 c1nc2ccc(cc2s1)CSCC3CCCC3 62a_100000740388_100009847474 [0,0,0,0,0,0|2,0,2]=4 278 B19R3.62413 c1nc2ccc(cc2s1)CSCC3CCCC3 62a_100009847474_100000740388 [0,0,0,0,0,0|2,0,2]=4 279 B19R3.62413 c1nc2ccc(cc2s1)CSCC3CCCO3 62a_100000203698_100009847474 [0,0,0,0,0,0|3,0,1]=4 280 B19R3.62413 c1nc2ccc(cc2s1)CSCC3CCCO3 62a_100009847474_100000203698 [0,0,0,0,0,0|3,0,1]=4 281 B19R3.62413 c1nc2ccc(cc2s1)CSCC3CCOC3 62a_100000702531_100009847474 [0,0,0,0,0,0|3,0,1]=4 282 B19R3.62413 c1nc2ccc(cc2s1)CSCC3CCOC3 62a_100009847474_100000702531 [0,0,0,0,0,0|3,0,1]=4 283 B19R3.62413 c1nc2ccc(cn2n1)CNCC3CCCC3 207a_100000737975_100000102685 [0,0,0,0,0,0|1,0,3]=4 284 B19R3.62413 c1nc2ccc(cn2n1)CNCC3CCCC3 270004a_100000737975_100000102685 [0,0,0,0,0,0|1,0,3]=4 285 B19R3.62413 c1nc2ccc(cn2n1)CNCC3CCOC3 207a_100000737293_100000102685 [0,0,0,0,0,0|2,0,2]=4 286 B19R3.62413 c1nc2ccc(cn2n1)CNCC3CCOC3 270004a_100000737293_100000102685 [0,0,0,0,0,0|2,0,2]=4 287 B19R3.62413 c1nc2ccc(cn2n1)CNC[C@@H]3CCCO3 207a_100020590478_100000102685 [0,0,0,0,0,0|2,0,2]=4 288 B19R3.62413 c1nc2ccc(cn2n1)CNC[C@@H]3CCCO3 270004a_100020590478_100000102685 [0,0,0,0,0,0|2,0,2]=4 289 B20R3.12030 Brc1nc2ccc(cc2s1)CNCC3CCCC3 270004a_100000737975_200010272093 [0,1,0,0,0,0|1,0,2]=4 290 B20R3.12030 Brc1nc2ccc(cc2s1)CNCC3CCOC3 270004a_100000737293_200010272093 [0,1,0,0,0,0|2,0,1]=4 291 B20R3.12030 Brc1nc2ccc(cc2s1)CNC[C@@H]3CCCO3 270004a_100020590478_200010272093 [0,1,0,0,0,0|2,0,1]=4 292 B20R3.12030 Cc1nc2ccc(cc2o1)CNCC3CCCC3 207a_100000737975_100010272349 [0,1,0,0,0,0|1,0,2]=4 293 B20R3.12030 Cc1nc2ccc(cc2o1)CNCC3CCCC3 270004a_100000737975_100010272349 [0,1,0,0,0,0|1,0,2]=4 294 B20R3.12030 Cc1nc2ccc(cc2o1)CNCC3CCOC3 207a_100000737293_100010272349 [0,1,0,0,0,0|2,0,1]=4 295 B20R3.12030 Cc1nc2ccc(cc2o1)CNCC3CCOC3 270004a_100000737293_100010272349 [0,1,0,0,0,0|2,0,1]=4 296 B20R3.12030 Cc1nc2ccc(cc2o1)CNC[C@@H]3CCCO3 207a_100020590478_100010272349 [0,1,0,0,0,0|2,0,1]=4 297 B20R3.12030 Cc1nc2ccc(cc2o1)CNC[C@@H]3CCCO3 270004a_100020590478_100010272349 [0,1,0,0,0,0|2,0,1]=4 298 B20R3.12030 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCCC3 207a_100000737975_100000709728 [0,1,0,0,0,0|0,0,3]=4 299 B20R3.12030 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCCC3 2230a_100000697230_100000740388 [0,1,0,0,0,0|0,0,3]=4 300 B20R3.12030 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCCC3 270004a_100000737975_100000709728 [0,1,0,0,0,0|0,0,3]=4 301 B20R3.12030 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCCO3 2230a_100000697230_100000203698 [0,1,0,0,0,0|1,0,2]=4 302 B20R3.12030 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCOC3 207a_100000737293_100000709728 [0,1,0,0,0,0|1,0,2]=4 303 B20R3.12030 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCOC3 2230a_100000697230_100000702531 [0,1,0,0,0,0|1,0,2]=4 304 B20R3.12030 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCOC3 270004a_100000737293_100000709728 [0,1,0,0,0,0|1,0,2]=4 305 B20R3.12030 O=c1[nH]c2ccc(cc2[nH]1)CNC[C@@H]3CCCO3 207a_100020590478_100000709728 [0,1,0,0,0,0|1,0,2]=4 306 B20R3.12030 O=c1[nH]c2ccc(cc2[nH]1)CNC[C@@H]3CCCO3 270004a_100020590478_100000709728 [0,1,0,0,0,0|1,0,2]=4 307 B20R3.26426 CC(NCc1ccc2cc[nH]c2c1)C3CCCC3 207a_100015185923_100011218920 [0,1,0,0,0,0|1,0,2]=4 308 B20R3.26426 CC(NCc1ccc2cc[nH]c2c1)C3CCCC3 269862a_100011912548_100000749594 [0,1,0,0,0,0|1,0,2]=4 309 B20R3.26426 CC(NCc1ccc2cc[nH]c2c1)C3CCCC3 270004a_100011912548_100000749594 [0,1,0,0,0,0|1,0,2]=4 310 B20R3.26426 CC(NCc1ccc2cc[nH]c2c1)C3CCCC3 270004a_100015185923_100011218920 [0,1,0,0,0,0|1,0,2]=4 311 B20R3.26426 CC(NCc1ccc2cc[nH]c2c1)C3CCCO3 207a_100025754208_100011218920 [0,1,0,0,0,0|2,0,1]=4 312 B20R3.26426 CC(NCc1ccc2cc[nH]c2c1)C3CCCO3 270004a_100025754208_100011218920 [0,1,0,0,0,0|2,0,1]=4 313 B20R3.26426 CC(NCc1ccc2nc[nH]c2c1)C3CCCC3 207a_100015185923_100000059205 [0,1,0,0,0,0|0,0,2]=3 314 B20R3.26426 CC(NCc1ccc2nc[nH]c2c1)C3CCCC3 270004a_100015185923_100000059205 [0,1,0,0,0,0|0,0,2]=3 315 B20R3.26426 CC(NCc1ccc2nc[nH]c2c1)C3CCCO3 207a_100025754208_100000059205 [0,1,0,0,0,0|1,0,1]=3 316 B20R3.26426 CC(NCc1ccc2nc[nH]c2c1)C3CCCO3 270004a_100025754208_100000059205 [0,1,0,0,0,0|1,0,1]=3 317 B20R3.26426 CC(NCc1ccc2nc[nH]c2c1)c3cccs3 207a_100000703493_100000059205 [0,1,0,0,0,0|1,0,2]=4 318 B20R3.26426 CC(NCc1ccc2nc[nH]c2c1)c3cccs3 270004a_100000703493_100000059205 [0,1,0,0,0,0|1,0,2]=4 319 B20R3.26426 CC(NCc1ccc2nc[nH]c2c1)c3ccoc3 207a_100000690049_100000059205 [0,1,0,0,0,0|1,0,2]=4 320 B20R3.26426 CC(NCc1ccc2nc[nH]c2c1)c3ccoc3 270004a_100000690049_100000059205 [0,1,0,0,0,0|1,0,2]=4 321 B20R3.26426 CC(NCc1ccc2nc[nH]c2c1)c3ccsc3 207a_100000748604_100000059205 [0,1,0,0,0,0|1,0,2]=4 322 B20R3.26426 CC(NCc1ccc2nc[nH]c2c1)c3ccsc3 270004a_100000748604_100000059205 [0,1,0,0,0,0|1,0,2]=4 323 B20R3.26426 CC(NCc1ccc2ncoc2c1)C3CCCC3 207a_100015185923_100000059852 [0,1,0,0,0,0|1,0,2]=4 324 B20R3.26426 CC(NCc1ccc2ncoc2c1)C3CCCC3 2230a_100015185923_106359897996 [0,1,0,0,0,0|1,0,2]=4 325 B20R3.26426 CC(NCc1ccc2ncoc2c1)C3CCCC3 270004a_100015185923_100000059852 [0,1,0,0,0,0|1,0,2]=4 326 B20R3.26426 CC(NCc1ccc2ncoc2c1)C3CCCC3 34a_100015185923_106359897996 [0,1,0,0,0,0|1,0,2]=4 327 B20R3.26426 CC(NCc1ccc2ncoc2c1)C3CCCO3 207a_100025754208_100000059852 [0,1,0,0,0,0|2,0,1]=4 328 B20R3.26426 CC(NCc1ccc2ncoc2c1)C3CCCO3 2230a_100025754208_106359897996 [0,1,0,0,0,0|2,0,1]=4 329 B20R3.26426 CC(NCc1ccc2ncoc2c1)C3CCCO3 270004a_100025754208_100000059852 [0,1,0,0,0,0|2,0,1]=4 330 B20R3.26426 CC(NCc1ccc2ncoc2c1)C3CCCO3 34a_100025754208_106359897996 [0,1,0,0,0,0|2,0,1]=4 331 B20R3.26426 CC(NCc1ccc2ncsc2c1)C3CCCC3 207a_100015185923_100009861089 [0,1,0,0,0,0|1,0,2]=4 332 B20R3.26426 CC(NCc1ccc2ncsc2c1)C3CCCC3 2230a_100015185923_100009847474 [0,1,0,0,0,0|1,0,2]=4 333 B20R3.26426 CC(NCc1ccc2ncsc2c1)C3CCCC3 270004a_100015185923_100009861089 [0,1,0,0,0,0|1,0,2]=4 334 B20R3.26426 CC(NCc1ccc2ncsc2c1)C3CCCC3 34a_100015185923_100009847474 [0,1,0,0,0,0|1,0,2]=4 335 B20R3.26426 CC(NCc1ccc2ncsc2c1)C3CCCO3 207a_100025754208_100009861089 [0,1,0,0,0,0|2,0,1]=4 336 B20R3.26426 CC(NCc1ccc2ncsc2c1)C3CCCO3 2230a_100025754208_100009847474 [0,1,0,0,0,0|2,0,1]=4 337 B20R3.26426 CC(NCc1ccc2ncsc2c1)C3CCCO3 270004a_100025754208_100009861089 [0,1,0,0,0,0|2,0,1]=4 338 B20R3.26426 CC(NCc1ccc2ncsc2c1)C3CCCO3 34a_100025754208_100009847474 [0,1,0,0,0,0|2,0,1]=4 339 B20R3.26426 C[C@@H](NCc1ccc2nc[nH]c2c1)c3ccco3 207a_100160469435_100000059205 [0,1,0,0,0,0|1,0,2]=4 340 B20R3.26426 C[C@@H](NCc1ccc2nc[nH]c2c1)c3ccco3 270004a_100160469435_100000059205 [0,1,0,0,0,0|1,0,2]=4 341 B20R3.86025 Brc1cc(on1)CNCc2ccc3nc[nH]c3c2 207a_100015193020_100000059205 [0,1,0,0,0,0|2,0,1]=4 342 B20R3.86025 Brc1ccc(o1)CNCc2ccc3nc[nH]c3c2 207a_100000708654_100000059205 [0,1,0,0,0,0|1,0,2]=4 343 B20R3.86025 Brc1ccc(o1)CNCc2ccc3nc[nH]c3c2 270004a_100000708654_100000059205 [0,1,0,0,0,0|1,0,2]=4 344 B20R3.86025 Brc1ccc(s1)CNCc2ccc3nc[nH]c3c2 207a_100000737305_100000059205 [0,1,0,0,0,0|1,0,2]=4 345 B20R3.86025 Brc1ccc(s1)CNCc2ccc3nc[nH]c3c2 270004a_100000737305_100000059205 [0,1,0,0,0,0|1,0,2]=4 346 B20R3.86025 Brc1csc(c1)CNCc2ccc3nc[nH]c3c2 207a_100000741024_100000059205 [0,1,0,0,0,0|1,0,2]=4 347 B20R3.86025 Brc1csc(c1)CNCc2ccc3nc[nH]c3c2 270004a_100000741024_100000059205 [0,1,0,0,0,0|1,0,2]=4 348 B20R3.86025 CN1CCC(C1)CNCc2ccc3cc[nH]c3c2 207a_100000742581_100011218920 [0,1,0,0,0,0|2,0,1]=4 349 B20R3.86025 CN1CCC(C1)CNCc2ccc3nc[nH]c3c2 207a_100000742581_100000059205 [0,1,0,0,0,0|1,0,1]=3 350 B20R3.86025 CN1CCC(C1)CNCc2ccc3ncoc3c2 207a_100000742581_100000059852 [0,1,0,0,0,0|2,0,1]=4 351 B20R3.86025 CN1CCC(C1)CNCc2ccc3ncsc3c2 207a_100000742581_100009861089 [0,1,0,0,0,0|2,0,1]=4 352 B20R3.86025 Cc1cc([nH]n1)CNCc2ccc3nc[nH]c3c2 207a_100025702664_100000059205 [0,1,0,0,0,0|2,0,1]=4 353 B20R3.86025 Cc1cc([nH]n1)CNCc2ccc3nc[nH]c3c2 270004a_100025702664_100000059205 [0,1,0,0,0,0|2,0,1]=4 354 B20R3.86025 Cc1cc(no1)CNCc2ccc3nc[nH]c3c2 207a_100000745230_100000059205 [0,1,0,0,0,0|2,0,1]=4 355 B20R3.86025 Cc1cc(no1)CNCc2ccc3nc[nH]c3c2 270004a_100000745230_100000059205 [0,1,0,0,0,0|2,0,1]=4 356 B20R3.86025 Cc1cc(on1)CNCc2ccc3nc[nH]c3c2 207a_100000745748_100000059205 [0,1,0,0,0,0|2,0,1]=4 357 B20R3.86025 Cc1cc(on1)CNCc2ccc3nc[nH]c3c2 270004a_100000745748_100000059205 [0,1,0,0,0,0|2,0,1]=4 358 B20R3.86025 Cc1ccc(o1)CNCc2ccc3nc[nH]c3c2 207a_100011194323_100000059205 [0,1,0,0,0,0|1,0,2]=4 359 B20R3.86025 Cc1ccc(o1)CNCc2ccc3nc[nH]c3c2 270004a_100011194323_100000059205 [0,1,0,0,0,0|1,0,2]=4 360 B20R3.86025 Cc1ccc(s1)CNCc2ccc3nc[nH]c3c2 207a_100000238518_100000059205 [0,1,0,0,0,0|1,0,2]=4 361 B20R3.86025 Cc1ccc(s1)CNCc2ccc3nc[nH]c3c2 270004a_100000238518_100000059205 [0,1,0,0,0,0|1,0,2]=4 362 B20R3.86025 Cc1csc(c1)CNCc2ccc3nc[nH]c3c2 207a_100015204214_100000059205 [0,1,0,0,0,0|1,0,2]=4 363 B20R3.86025 Cc1csc(c1)CNCc2ccc3nc[nH]c3c2 270004a_100015204214_100000059205 [0,1,0,0,0,0|1,0,2]=4 364 B20R3.86025 Clc1ccc(s1)CNCc2ccc3nc[nH]c3c2 207a_100000737310_100000059205 [0,1,0,0,0,0|1,0,2]=4 365 B20R3.86025 Clc1ccc(s1)CNCc2ccc3nc[nH]c3c2 270004a_100000737310_100000059205 [0,1,0,0,0,0|1,0,2]=4 366 B20R3.86025 Cn1ccc(n1)CNCc2ccc3nc[nH]c3c2 207a_100020636201_100000059205 [0,1,0,0,0,0|2,0,1]=4 367 B20R3.86025 Cn1ccc(n1)CNCc2ccc3nc[nH]c3c2 270004a_100020636201_100000059205 [0,1,0,0,0,0|2,0,1]=4 368 B20R3.86025 N[C@H]1C=C[C@H](C1)COCc2ccc3cn[nH]c3c2 34a_100020646542_100020605281 [0,1,0,0,0,0|3,0,0]=4 369 B20R3.86025 N[C@H]1C=C[C@H](C1)COCc2ccc3ncoc3c2 34a_100020646542_106359897996 [0,1,0,0,0,0|2,0,0]=3 370 B20R3.86025 N[C@H]1C=C[C@H](C1)COCc2ccc3ncsc3c2 34a_100020646542_100009847474 [0,1,0,0,0,0|2,0,0]=3 371 B20R3.86025 N[C@H]1C=C[C@H](C1)COCc2ccc3nonc3c2 34a_100020646542_100000733437 [0,1,0,0,0,0|2,0,1]=4 372 B20R3.86025 N[C@H]1C=C[C@H](C1)COCc2ccc3nsnc3c2 34a_100020646542_100000187484 [0,1,0,0,0,0|2,0,1]=4 373 B20R3.86025 N[C@H]1C=C[C@H](C1)COCc2ccc3ocnc3c2 34a_100020646542_200010203175 [0,1,0,0,0,0|2,0,1]=4 374 B20R3.86025 O=C1CC(CN1)CNCc2ccc3cc[nH]c3c2 207a_100016993742_100011218920 [0,1,0,0,0,0|2,0,1]=4 375 B20R3.86025 O=C1CC(CN1)CNCc2ccc3nc[nH]c3c2 207a_100016993742_100000059205 [0,1,0,0,0,0|1,0,1]=3 376 B20R3.86025 O=C1CC(CN1)CNCc2ccc3ncoc3c2 207a_100016993742_100000059852 [0,1,0,0,0,0|2,0,1]=4 377 B20R3.86025 O=C1CC(CN1)CNCc2ccc3ncoc3c2 2230a_100016993742_106359897996 [0,1,0,0,0,0|2,0,1]=4 378 B20R3.86025 O=C1CC(CN1)CNCc2ccc3ncoc3c2 34a_100016993742_106359897996 [0,1,0,0,0,0|2,0,1]=4 379 B20R3.86025 O=C1CC(CN1)CNCc2ccc3ncsc3c2 207a_100016993742_100009861089 [0,1,0,0,0,0|2,0,1]=4 380 B20R3.86025 O=C1CC(CN1)CNCc2ccc3ncsc3c2 2230a_100016993742_100009847474 [0,1,0,0,0,0|2,0,1]=4 381 B20R3.86025 O=C1CC(CN1)CNCc2ccc3ncsc3c2 34a_100016993742_100009847474 [0,1,0,0,0,0|2,0,1]=4 382 B20R3.86025 O=C1CCC(N1)COCc2ccc3ncoc3c2 34a_100000737831_106359897996 [0,1,0,0,0,0|3,0,0]=4 383 B20R3.86025 O=C1CCC(N1)COCc2ccc3ncsc3c2 34a_100000737831_100009847474 [0,1,0,0,0,0|3,0,0]=4 384 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3[nH]ccc3c2 207a_100015423886_100011197475 [0,1,0,0,0,0|2,0,1]=4 385 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3[nH]ccc3c2 270004a_100015423886_100011197475 [0,1,0,0,0,0|2,0,1]=4 386 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3cc[nH]c3c2 207a_100015423886_100011218920 [0,1,0,0,0,0|2,0,0]=3 387 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3cc[nH]c3c2 270004a_100015423886_100011218920 [0,1,0,0,0,0|2,0,0]=3 388 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3cc[nH]c3n2 207a_100015423886_100000089654 [0,1,0,0,0,0|3,0,0]=4 389 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3cc[nH]c3n2 270004a_100015423886_100000089654 [0,1,0,0,0,0|3,0,0]=4 390 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ccsc3c2 207a_100015423886_100000112508 [0,1,0,0,0,0|3,0,0]=4 391 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ccsc3c2 270004a_100015423886_100000112508 [0,1,0,0,0,0|3,0,0]=4 392 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3cn[nH]c3c2 207a_100015423886_100137314666 [0,1,0,0,0,0|3,0,0]=4 393 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3cn[nH]c3c2 2230a_100015423886_100020605281 [0,1,0,0,0,0|3,0,0]=4 394 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3cn[nH]c3c2 270004a_100015423886_100137314666 [0,1,0,0,0,0|3,0,0]=4 395 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3cn[nH]c3c2 34a_100015423886_100020605281 [0,1,0,0,0,0|3,0,0]=4 396 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3n[nH]cc3c2 207a_100015423886_100000068381 [0,1,0,0,0,0|3,0,0]=4 397 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3n[nH]cc3c2 270004a_100015423886_100000068381 [0,1,0,0,0,0|3,0,0]=4 398 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nc[nH]c3c2 207a_100015423886_100000059205 [0,1,0,0,0,0|1,0,0]=2 399 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nc[nH]c3c2 270004a_100015423886_100000059205 [0,1,0,0,0,0|1,0,0]=2 400 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nccn3c2 207a_100015423886_100000059712 [0,1,0,0,0,0|3,0,0]=4 401 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nccn3c2 270004a_100015423886_100000059712 [0,1,0,0,0,0|3,0,0]=4 402 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ncnn3c2 207a_100015423886_100000102685 [0,1,0,0,0,0|2,0,1]=4 403 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ncnn3c2 270004a_100015423886_100000102685 [0,1,0,0,0,0|2,0,1]=4 404 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ncoc3c2 207a_100015423886_100000059852 [0,1,0,0,0,0|2,0,0]=3 405 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ncoc3c2 2230a_100015423886_106359897996 [0,1,0,0,0,0|2,0,0]=3 406 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ncoc3c2 270004a_100015423886_100000059852 [0,1,0,0,0,0|2,0,0]=3 407 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ncoc3c2 34a_100015423886_106359897996 [0,1,0,0,0,0|2,0,0]=3 408 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ncsc3c2 207a_100015423886_100009861089 [0,1,0,0,0,0|2,0,0]=3 409 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ncsc3c2 2230a_100015423886_100009847474 [0,1,0,0,0,0|2,0,0]=3 410 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ncsc3c2 270004a_100015423886_100009861089 [0,1,0,0,0,0|2,0,0]=3 411 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ncsc3c2 34a_100015423886_100009847474 [0,1,0,0,0,0|2,0,0]=3 412 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nonc3c2 2230a_100015423886_100000733437 [0,1,0,0,0,0|2,0,1]=4 413 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nonc3c2 270004a_100015423886_100000042170 [0,1,0,0,0,0|2,0,1]=4 414 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nonc3c2 34a_100015423886_100000733437 [0,1,0,0,0,0|2,0,1]=4 415 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nsnc3c2 207a_100015423886_100000042169 [0,1,0,0,0,0|2,0,1]=4 416 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nsnc3c2 2230a_100015423886_100000187484 [0,1,0,0,0,0|2,0,1]=4 417 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nsnc3c2 270004a_100015423886_100000042169 [0,1,0,0,0,0|2,0,1]=4 418 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3nsnc3c2 34a_100015423886_100000187484 [0,1,0,0,0,0|2,0,1]=4 419 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3occc3c2 207a_100015423886_100000040644 [0,1,0,0,0,0|3,0,0]=4 420 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3occc3c2 270004a_100015423886_100000040644 [0,1,0,0,0,0|3,0,0]=4 421 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ocnc3c2 207a_100015423886_100010271902 [0,1,0,0,0,0|2,0,1]=4 422 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ocnc3c2 2230a_100015423886_200010203175 [0,1,0,0,0,0|2,0,1]=4 423 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ocnc3c2 270004a_100015423886_100010271902 [0,1,0,0,0,0|2,0,1]=4 424 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3ocnc3c2 34a_100015423886_200010203175 [0,1,0,0,0,0|2,0,1]=4 425 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3sccc3c2 207a_100015423886_100000050658 [0,1,0,0,0,0|3,0,0]=4 426 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3sccc3c2 270004a_100015423886_100000050658 [0,1,0,0,0,0|3,0,0]=4 427 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3scnc3c2 207a_100015423886_100000718305 [0,1,0,0,0,0|2,0,1]=4 428 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccc3scnc3c2 270004a_100015423886_100000718305 [0,1,0,0,0,0|2,0,1]=4 429 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccn3nccc3c2 207a_100015423886_100009861398 [0,1,0,0,0,0|3,0,0]=4 430 B20R3.86025 O=C1CC[C@@H](N1)CNCc2ccn3nccc3c2 270004a_100015423886_100009861398 [0,1,0,0,0,0|3,0,0]=4 431 B20R3.86025 O=C1CC[C@@H](N1)CNCc2cnc3cc[nH]c3c2 207a_100015423886_100000094745 [0,1,0,0,0,0|3,0,0]=4 432 B20R3.86025 O=C1CC[C@@H](N1)CNCc2cnc3cc[nH]c3c2 270004a_100015423886_100000094745 [0,1,0,0,0,0|3,0,0]=4 433 B20R3.86025 O=C1CC[C@H](N1)CNCc2ccc3occc3c2 2230a_100020591328_100015189358 [0,1,0,0,0,0|3,0,0]=4 434 B20R3.86025 O=C1CC[C@H](N1)CNCc2ccc3sccc3c2 2230a_100000732457_100015189358 [0,1,0,0,0,0|3,0,0]=4 435 B20R3.86025 O=C1CC[C@H](N1)CSCc2ccc3ncoc3c2 62a_100015189358_106359897996 [0,1,0,0,0,0|3,0,0]=4 436 B20R3.86025 O=C1CC[C@H](N1)CSCc2ccc3ncoc3c2 62a_106359897996_100015189358 [0,1,0,0,0,0|3,0,0]=4 437 B20R3.86025 O=C1CC[C@H](N1)CSCc2ccc3ncsc3c2 62a_100009847474_100015189358 [0,1,0,0,0,0|3,0,0]=4 438 B20R3.86025 O=C1CC[C@H](N1)CSCc2ccc3ncsc3c2 62a_100015189358_100009847474 [0,1,0,0,0,0|3,0,0]=4 439 B20R3.102634 Brc1sccc1CNCc2ccc3nc[nH]c3c2 207a_100000727803_100000059205 [0,1,0,0,0,0|1,0,2]=4 440 B20R3.102634 Brc1sccc1CNCc2ccc3nc[nH]c3c2 270004a_100000727803_100000059205 [0,1,0,0,0,0|1,0,2]=4 441 B20R3.102634 CN1CCC[C@H]1CNCc2ccc3cc[nH]c3c2 207a_100009821018_100011218920 [0,1,0,0,0,0|2,0,1]=4 442 B20R3.102634 CN1CCC[C@H]1CNCc2ccc3cc[nH]c3c2 270004a_100009821018_100011218920 [0,1,0,0,0,0|2,0,1]=4 443 B20R3.102634 CN1CCC[C@H]1CNCc2ccc3nc[nH]c3c2 207a_100009821018_100000059205 [0,1,0,0,0,0|1,0,1]=3 444 B20R3.102634 CN1CCC[C@H]1CNCc2ccc3nc[nH]c3c2 270004a_100009821018_100000059205 [0,1,0,0,0,0|1,0,1]=3 445 B20R3.102634 CN1CCC[C@H]1CNCc2ccc3ncoc3c2 207a_100009821018_100000059852 [0,1,0,0,0,0|2,0,1]=4 446 B20R3.102634 CN1CCC[C@H]1CNCc2ccc3ncoc3c2 270004a_100009821018_100000059852 [0,1,0,0,0,0|2,0,1]=4 447 B20R3.102634 CN1CCC[C@H]1CNCc2ccc3ncsc3c2 207a_100009821018_100009861089 [0,1,0,0,0,0|2,0,1]=4 448 B20R3.102634 CN1CCC[C@H]1CNCc2ccc3ncsc3c2 270004a_100009821018_100009861089 [0,1,0,0,0,0|2,0,1]=4 449 B20R3.102634 Cc1ccsc1CNCc2ccc3nc[nH]c3c2 207a_100000238519_100000059205 [0,1,0,0,0,0|1,0,2]=4 450 B20R3.102634 Cc1ccsc1CNCc2ccc3nc[nH]c3c2 270004a_100000238519_100000059205 [0,1,0,0,0,0|1,0,2]=4 451 B20R3.102634 Clc1ccsc1CNCc2ccc3nc[nH]c3c2 207a_100011934584_100000059205 [0,1,0,0,0,0|1,0,2]=4 452 B20R3.102634 Clc1ccsc1CNCc2ccc3nc[nH]c3c2 270004a_100011934584_100000059205 [0,1,0,0,0,0|1,0,2]=4 453 B20R3.102634 Cn1nccc1CNCc2ccc3nc[nH]c3c2 207a_100025706696_100000059205 [0,1,0,0,0,0|2,0,1]=4 454 B20R3.102634 Cn1nccc1CNCc2ccc3nc[nH]c3c2 270004a_100025706696_100000059205 [0,1,0,0,0,0|2,0,1]=4 455 B20R3.102634 O=C1NCCC1COCc2ccc3ncoc3c2 34a_100000133458_106359897996 [0,1,0,0,0,0|3,0,0]=4 456 B20R3.102634 O=C1NCCC1COCc2ccc3ncsc3c2 34a_100000133458_100009847474 [0,1,0,0,0,0|3,0,0]=4 457 B20R3.331874 CN(Cc1ccc2cc[nH]c2c1)CC3CCCO3 270004a_100102946541_100011218920 [0,1,0,0,0,0|2,0,1]=4 458 B20R3.331874 CN(Cc1ccc2cc[nH]c2c1)CC3CCOC3 270004a_100000684583_100011218920 [0,1,0,0,0,0|2,0,1]=4 459 B20R3.331874 CN(Cc1ccc2nc[nH]c2c1)CC3CCCO3 270004a_100102946541_100000059205 [0,1,0,0,0,0|1,0,1]=3 460 B20R3.331874 CN(Cc1ccc2nc[nH]c2c1)CC3CCOC3 270004a_100000684583_100000059205 [0,1,0,0,0,0|1,0,1]=3 461 B20R3.331874 CN(Cc1ccc2nc[nH]c2c1)CC3OCCO3 270004a_200000032744_100000059205 [0,1,0,0,0,0|2,0,1]=4 462 B20R3.331874 CN(Cc1ccc2nc[nH]c2c1)Cc3ccco3 270004a_100000185268_100000059205 [0,1,0,0,0,0|1,0,2]=4 463 B20R3.331874 CN(Cc1ccc2nc[nH]c2c1)Cc3cccs3 270004a_100000184426_100000059205 [0,1,0,0,0,0|1,0,2]=4 464 B20R3.331874 CN(Cc1ccc2nc[nH]c2c1)Cc3ccon3 270004a_100000757864_100000059205 [0,1,0,0,0,0|2,0,1]=4 465 B20R3.331874 CN(Cc1ccc2ncoc2c1)CC3CCCO3 2230a_100102946541_106359897996 [0,1,0,0,0,0|2,0,1]=4 466 B20R3.331874 CN(Cc1ccc2ncoc2c1)CC3CCCO3 270004a_100102946541_100000059852 [0,1,0,0,0,0|2,0,1]=4 467 B20R3.331874 CN(Cc1ccc2ncoc2c1)CC3CCCO3 34a_100102946541_106359897996 [0,1,0,0,0,0|2,0,1]=4 468 B20R3.331874 CN(Cc1ccc2ncoc2c1)CC3CCOC3 2230a_100000684583_106359897996 [0,1,0,0,0,0|2,0,1]=4 469 B20R3.331874 CN(Cc1ccc2ncoc2c1)CC3CCOC3 270004a_100000684583_100000059852 [0,1,0,0,0,0|2,0,1]=4 470 B20R3.331874 CN(Cc1ccc2ncoc2c1)CC3CCOC3 34a_100000684583_106359897996 [0,1,0,0,0,0|2,0,1]=4 471 B20R3.331874 CN(Cc1ccc2ncsc2c1)CC3CCCO3 2230a_100102946541_100009847474 [0,1,0,0,0,0|2,0,1]=4 472 B20R3.331874 CN(Cc1ccc2ncsc2c1)CC3CCCO3 269982a_100102946541_100009847474 [0,1,0,0,0,0|2,0,1]=4 473 B20R3.331874 CN(Cc1ccc2ncsc2c1)CC3CCCO3 270004a_100102946541_100009861089 [0,1,0,0,0,0|2,0,1]=4 474 B20R3.331874 CN(Cc1ccc2ncsc2c1)CC3CCCO3 34a_100102946541_100009847474 [0,1,0,0,0,0|2,0,1]=4 475 B20R3.331874 CN(Cc1ccc2ncsc2c1)CC3CCOC3 2230a_100000684583_100009847474 [0,1,0,0,0,0|2,0,1]=4 476 B20R3.331874 CN(Cc1ccc2ncsc2c1)CC3CCOC3 269982a_100000684583_100009847474 [0,1,0,0,0,0|2,0,1]=4 477 B20R3.331874 CN(Cc1ccc2ncsc2c1)CC3CCOC3 270004a_100000684583_100009861089 [0,1,0,0,0,0|2,0,1]=4 478 B20R3.331874 CN(Cc1ccc2ncsc2c1)CC3CCOC3 34a_100000684583_100009847474 [0,1,0,0,0,0|2,0,1]=4 479 B20R3.331874 CN(Cc1ccsc1)Cc2ccc3nc[nH]c3c2 270004a_100020654213_100000059205 [0,1,0,0,0,0|1,0,2]=4 480 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3cc[nH]c3c2 11a_100000743810_100000212241 [0,1,0,0,0,0|3,0,0]=4 481 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3cc[nH]c3c2 1626a_100000743810_100000212241 [0,1,0,0,0,0|3,0,0]=4 482 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3cc[nH]c3c2 22a_100000743810_100000212241 [0,1,0,0,0,0|3,0,0]=4 483 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3cc[nH]c3c2 527a_100000743810_100000212241 [0,1,0,0,0,0|3,0,0]=4 484 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3ncoc3c2 11a_100011248239_100000212241 [0,1,0,0,0,0|3,0,0]=4 485 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3ncoc3c2 1626a_100011248239_100000212241 [0,1,0,0,0,0|3,0,0]=4 486 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3ncoc3c2 527a_100011248239_100000212241 [0,1,0,0,0,0|3,0,0]=4 487 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3ncsc3c2 11a_100011215093_100000212241 [0,1,0,0,0,0|3,0,0]=4 488 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3ncsc3c2 1626a_100011215093_100000212241 [0,1,0,0,0,0|3,0,0]=4 489 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3ncsc3c2 22a_100011215093_100000212241 [0,1,0,0,0,0|3,0,0]=4 490 B20R3.331874 O=C(CC1C=CCC1)Nc2ccc3ncsc3c2 527a_100011215093_100000212241 [0,1,0,0,0,0|3,0,0]=4 491 B20R3.331874 O=C(Cc1ccc2cn[nH]c2c1)CC3C=CCC3 1458a_100000212241_100020605281 [0,1,0,0,0,0|3,0,0]=4 492 B20R3.331874 O=C(Cc1ccc2nc[nH]c2c1)CC3CCCC3 1458a_100000055147_100000740388 [0,1,0,0,0,0|1,0,2]=4 493 B20R3.331874 O=C(Cc1ccc2nc[nH]c2c1)CC3CCCO3 1458a_100000055147_100000203698 [0,1,0,0,0,0|2,0,1]=4 494 B20R3.331874 O=C(Cc1ccc2nc[nH]c2c1)CC3CCOC3 1458a_100000055147_100000702531 [0,1,0,0,0,0|2,0,1]=4 495 B20R3.331874 O=C(Cc1ccc2ncoc2c1)CC3C=CCC3 1458a_100000212241_106359897996 [0,1,0,0,0,0|2,0,0]=3 496 B20R3.331874 O=C(Cc1ccc2ncsc2c1)CC3C=CCC3 1458a_100000212241_100009847474 [0,1,0,0,0,0|2,0,0]=3 497 B20R3.331874 O=C(Cc1ccc2nonc2c1)CC3C=CCC3 1458a_100000212241_100000733437 [0,1,0,0,0,0|2,0,1]=4 498 B20R3.331874 O=C(Cc1ccc2nsnc2c1)CC3C=CCC3 1458a_100000212241_100000187484 [0,1,0,0,0,0|2,0,1]=4 499 B20R3.1927598 CC(NCC1CCCC1)c2ccc3cc[nH]c3c2 269862a_100000737975_200000045062 [0,1,0,0,0,0|1,0,2]=4 500 B20R3.1927598 CC(NCC1CCOC1)c2ccc3cc[nH]c3c2 269862a_100000737293_200000045062 [0,1,0,0,0,0|2,0,1]=4 501 B20R3.1927598 CC(NC[C@@H]1CCCO1)c2ccc3cc[nH]c3c2 269862a_100020590478_200000045062 [0,1,0,0,0,0|2,0,1]=4 502 B20R3.3219330 CC1(OCCO1)CNCc2ccc3nc[nH]c3c2 207a_100000691740_100000059205 [0,1,0,0,0,0|2,0,1]=4 503 B20R3.3219330 CC1(OCCO1)CNCc2ccc3nc[nH]c3c2 270004a_100000691740_100000059205 [0,1,0,0,0,0|2,0,1]=4 504 B20R3.3219330 OC1(CCCC1)CNCc2ccc3cc[nH]c3c2 207a_100000737848_100011218920 [0,1,0,0,0,0|1,0,2]=4 505 B20R3.3219330 OC1(CCCC1)CNCc2ccc3cc[nH]c3c2 270004a_100000737848_100011218920 [0,1,0,0,0,0|1,0,2]=4 506 B20R3.3219330 OC1(CCCC1)CNCc2ccc3nc[nH]c3c2 207a_100000737848_100000059205 [0,1,0,0,0,0|0,0,2]=3 507 B20R3.3219330 OC1(CCCC1)CNCc2ccc3nc[nH]c3c2 270004a_100000737848_100000059205 [0,1,0,0,0,0|0,0,2]=3 508 B20R3.3219330 OC1(CCCC1)CNCc2ccc3ncoc3c2 207a_100000737848_100000059852 [0,1,0,0,0,0|1,0,2]=4 509 B20R3.3219330 OC1(CCCC1)CNCc2ccc3ncoc3c2 2230a_100000737848_106359897996 [0,1,0,0,0,0|1,0,2]=4 510 B20R3.3219330 OC1(CCCC1)CNCc2ccc3ncoc3c2 270004a_100000737848_100000059852 [0,1,0,0,0,0|1,0,2]=4 511 B20R3.3219330 OC1(CCCC1)CNCc2ccc3ncsc3c2 207a_100000737848_100009861089 [0,1,0,0,0,0|1,0,2]=4 512 B20R3.3219330 OC1(CCCC1)CNCc2ccc3ncsc3c2 2230a_100000737848_100009847474 [0,1,0,0,0,0|1,0,2]=4 513 B20R3.3219330 OC1(CCCC1)CNCc2ccc3ncsc3c2 270004a_100000737848_100009861089 [0,1,0,0,0,0|1,0,2]=4 514 B20R3.3280021 Cn1ccc2c1cc(cc2)CNCC3CCCC3 207a_100000737975_100011934850 [0,1,0,0,0,0|1,0,2]=4 515 B20R3.3280021 Cn1ccc2c1cc(cc2)CNCC3CCCC3 2230a_100011934852_100000740388 [0,1,0,0,0,0|1,0,2]=4 516 B20R3.3280021 Cn1ccc2c1cc(cc2)CNCC3CCCC3 269862a_100011934852_100000746403 [0,1,0,0,0,0|1,0,2]=4 517 B20R3.3280021 Cn1ccc2c1cc(cc2)CNCC3CCCC3 270004a_100000737975_100011934850 [0,1,0,0,0,0|1,0,2]=4 518 B20R3.3280021 Cn1ccc2c1cc(cc2)CNCC3CCCC3 34a_100011934852_100000740388 [0,1,0,0,0,0|1,0,2]=4 519 B20R3.3280021 Cn1ccc2c1cc(cc2)CNCC3CCCO3 2230a_100011934852_100000203698 [0,1,0,0,0,0|2,0,1]=4 520 B20R3.3280021 Cn1ccc2c1cc(cc2)CNCC3CCOC3 207a_100000737293_100011934850 [0,1,0,0,0,0|2,0,1]=4 521 B20R3.3280021 Cn1ccc2c1cc(cc2)CNCC3CCOC3 2230a_100011934852_100000702531 [0,1,0,0,0,0|2,0,1]=4 522 B20R3.3280021 Cn1ccc2c1cc(cc2)CNCC3CCOC3 270004a_100000737293_100011934850 [0,1,0,0,0,0|2,0,1]=4 523 B20R3.3280021 Cn1ccc2c1cc(cc2)CNCC3CCOC3 34a_100011934852_100011261433 [0,1,0,0,0,0|2,0,1]=4 524 B20R3.3280021 Cn1ccc2c1cc(cc2)CNC[C@@H]3CCCO3 207a_100020590478_100011934850 [0,1,0,0,0,0|2,0,1]=4 525 B20R3.3280021 Cn1ccc2c1cc(cc2)CNC[C@@H]3CCCO3 270004a_100020590478_100011934850 [0,1,0,0,0,0|2,0,1]=4 526 B18R2.28835 C#CCCCCNCc1ccc2cc[nH]c2c1 207a_100000706060_100011218920 [0,0,1,0,0,0|1,0,2]=4 527 B18R2.28835 C#CCCCCNCc1ccc2nc[nH]c2c1 207a_100000706060_100000059205 [0,0,1,0,0,0|0,0,2]=3 528 B18R2.28835 C#CCCCCNCc1ccc2ncoc2c1 207a_100000706060_100000059852 [0,0,1,0,0,0|1,0,2]=4 529 B18R2.28835 C#CCCCCNCc1ccc2ncoc2c1 2230a_100000706060_106359897996 [0,0,1,0,0,0|1,0,2]=4 530 B18R2.28835 C#CCCCCNCc1ccc2ncoc2c1 34a_100000706060_106359897996 [0,0,1,0,0,0|1,0,2]=4 531 B18R2.28835 C#CCCCCNCc1ccc2ncsc2c1 207a_100000706060_100009861089 [0,0,1,0,0,0|1,0,2]=4 532 B18R2.28835 C#CCCCCNCc1ccc2ncsc2c1 2230a_100000706060_100009847474 [0,0,1,0,0,0|1,0,2]=4 533 B18R2.28835 C#CCCCCNCc1ccc2ncsc2c1 34a_100000706060_100009847474 [0,0,1,0,0,0|1,0,2]=4 534 B18R2.28835 C=CCCCCCNc1ccc2ncoc2c1 34a_100011248239_100000700193 [0,0,1,0,0,0|3,0,0]=4 535 B18R2.28835 C=CCCCCCNc1ccc2ncsc2c1 34a_100011215093_100000700193 [0,0,1,0,0,0|3,0,0]=4 536 B18R2.28835 C=CCCCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100000700193 [0,0,1,0,0,0|3,0,0]=4 537 B18R2.28835 C=CCCCCCOc1ccc2ncsc2c1 34a_100011995850_100000700193 [0,0,1,0,0,0|3,0,0]=4 538 B18R2.28835 C=CCCCCCOc1ccc2ncsc2c1 7a_100011995850_100000700193 [0,0,1,0,0,0|3,0,0]=4 539 B18R2.28835 C=CCCCCCSc1ccc2cc[nH]c2c1 62a_100000700193_100000743809 [0,0,1,0,0,0|3,0,0]=4 540 B18R2.28835 C=CCCCCCSc1ccc2nc[nH]c2n1 62a_100000700193_100000077665 [0,0,1,0,0,0|3,0,0]=4 541 B18R2.28835 C=CCCCCCSc1ccc2nc[nH]c2n1 62a_100009820032_100000700193 [0,0,1,0,0,0|3,0,0]=4 542 B18R2.28835 C=CCCCCCSc1ccc2ncoc2c1 62a_100000700193_100009817590 [0,0,1,0,0,0|3,0,0]=4 543 B18R2.28835 C=CCCCCCSc1ccc2ncsc2c1 62a_100000700193_100009816678 [0,0,1,0,0,0|3,0,0]=4 544 B18R2.28835 C=CCCCCCSc1ccc2ncsc2c1 62a_100009816678_100000700193 [0,0,1,0,0,0|3,0,0]=4 545 B18R2.28835 C=CCCCCCSc1ccc2nn[nH]c2c1 62a_100000700193_100009817464 [0,0,1,0,0,0|3,0,0]=4 546 B18R2.28835 C=CCCCCCSc1cnc2nc[nH]c2c1 62a_100000700193_100000760087 [0,0,1,0,0,0|3,0,0]=4 547 B18R2.28835 C=CCCCCNCc1cc2cc[nH]c2cn1 207a_100000703577_100000099776 [0,0,1,0,0,0|2,0,1]=4 548 B18R2.28835 C=CCCCCNCc1cc2cc[nH]c2cn1 270004a_100000703577_100000099776 [0,0,1,0,0,0|2,0,1]=4 549 B18R2.28835 C=CCCCCNCc1cc2ccoc2cn1 207a_100000703577_100000059709 [0,0,1,0,0,0|3,0,0]=4 550 B18R2.28835 C=CCCCCNCc1cc2ccoc2cn1 270004a_100000703577_100000059709 [0,0,1,0,0,0|3,0,0]=4 551 B18R2.28835 C=CCCCCNCc1ccc2[nH]ccc2c1 207a_100000703577_100011197475 [0,0,1,0,0,0|1,0,1]=3 552 B18R2.28835 C=CCCCCNCc1ccc2[nH]ccc2c1 270004a_100000703577_100011197475 [0,0,1,0,0,0|1,0,1]=3 553 B18R2.28835 C=CCCCCNCc1ccc2c(c1)CCC2 207a_100000703577_100000765347 [0,0,1,0,0,0|2,0,1]=4 554 B18R2.28835 C=CCCCCNCc1ccc2c(c1)CCC2 270004a_100000703577_100000765347 [0,0,1,0,0,0|2,0,1]=4 555 B18R2.28835 C=CCCCCNCc1ccc2c(c1)CCO2 207a_100000703577_100011218456 [0,0,1,0,0,0|2,0,1]=4 556 B18R2.28835 C=CCCCCNCc1ccc2c(c1)CCO2 2230a_100011219410_100011215482 [0,0,1,0,0,0|2,0,1]=4 557 B18R2.28835 C=CCCCCNCc1ccc2c(c1)CCO2 270004a_100000703577_100011218456 [0,0,1,0,0,0|2,0,1]=4 558 B18R2.28835 C=CCCCCNCc1ccc2c(c1)CCO2 34a_100011219410_100011215482 [0,0,1,0,0,0|2,0,1]=4 559 B18R2.28835 C=CCCCCNCc1ccc2c(c1)OCO2 2230a_100000210006_100011215482 [0,0,1,0,0,0|2,0,1]=4 560 B18R2.28835 C=CCCCCNCc1ccc2c(c1)OCO2 34a_100000210006_100011215482 [0,0,1,0,0,0|2,0,1]=4 561 B18R2.28835 C=CCCCCNCc1ccc2c(c1)OCO2 34a_100000703577_100000189651 [0,0,1,0,0,0|2,0,1]=4 562 B18R2.28835 C=CCCCCNCc1ccc2cc[nH]c2c1 207a_100000703577_100011218920 [0,0,1,0,0,0|1,0,0]=2 563 B18R2.28835 C=CCCCCNCc1ccc2cc[nH]c2c1 270004a_100000703577_100011218920 [0,0,1,0,0,0|1,0,0]=2 564 B18R2.28835 C=CCCCCNCc1ccc2cc[nH]c2n1 207a_100000703577_100000089654 [0,0,1,0,0,0|2,0,0]=3 565 B18R2.28835 C=CCCCCNCc1ccc2cc[nH]c2n1 270004a_100000703577_100000089654 [0,0,1,0,0,0|2,0,0]=3 566 B18R2.28835 C=CCCCCNCc1ccc2ccsc2c1 207a_100000703577_100000112508 [0,0,1,0,0,0|2,0,0]=3 567 B18R2.28835 C=CCCCCNCc1ccc2ccsc2c1 270004a_100000703577_100000112508 [0,0,1,0,0,0|2,0,0]=3 568 B18R2.28835 C=CCCCCNCc1ccc2cn[nH]c2c1 207a_100000703577_100137314666 [0,0,1,0,0,0|2,0,0]=3 569 B18R2.28835 C=CCCCCNCc1ccc2cn[nH]c2c1 2230a_100000703577_100020605281 [0,0,1,0,0,0|2,0,0]=3 570 B18R2.28835 C=CCCCCNCc1ccc2cn[nH]c2c1 270004a_100000703577_100137314666 [0,0,1,0,0,0|2,0,0]=3 571 B18R2.28835 C=CCCCCNCc1ccc2cn[nH]c2c1 34a_100000703577_100020605281 [0,0,1,0,0,0|2,0,0]=3 572 B18R2.28835 C=CCCCCNCc1ccc2n[nH]cc2c1 207a_100000703577_100000068381 [0,0,1,0,0,0|2,0,0]=3 573 B18R2.28835 C=CCCCCNCc1ccc2n[nH]cc2c1 270004a_100000703577_100000068381 [0,0,1,0,0,0|2,0,0]=3 574 B18R2.28835 C=CCCCCNCc1ccc2nc[nH]c2c1 207a_100000703577_100000059205 [0,0,1,0,0,0|0,0,0]=1 575 B18R2.28835 C=CCCCCNCc1ccc2nc[nH]c2c1 270004a_100000703577_100000059205 [0,0,1,0,0,0|0,0,0]=1 576 B18R2.28835 C=CCCCCNCc1ccc2nccn2c1 207a_100000703577_100000059712 [0,0,1,0,0,0|2,0,0]=3 577 B18R2.28835 C=CCCCCNCc1ccc2nccn2c1 270004a_100000703577_100000059712 [0,0,1,0,0,0|2,0,0]=3 578 B18R2.28835 C=CCCCCNCc1ccc2ncnn2c1 207a_100000703577_100000102685 [0,0,1,0,0,0|1,0,1]=3 579 B18R2.28835 C=CCCCCNCc1ccc2ncnn2c1 270004a_100000703577_100000102685 [0,0,1,0,0,0|1,0,1]=3 580 B18R2.28835 C=CCCCCNCc1ccc2ncoc2c1 207a_100000703577_100000059852 [0,0,1,0,0,0|1,0,0]=2 581 B18R2.28835 C=CCCCCNCc1ccc2ncoc2c1 2230a_100000703577_106359897996 [0,0,1,0,0,0|1,0,0]=2 582 B18R2.28835 C=CCCCCNCc1ccc2ncoc2c1 270004a_100000703577_100000059852 [0,0,1,0,0,0|1,0,0]=2 583 B18R2.28835 C=CCCCCNCc1ccc2ncoc2c1 34a_100000703577_106359897996 [0,0,1,0,0,0|1,0,0]=2 584 B18R2.28835 C=CCCCCNCc1ccc2ncsc2c1 207a_100000703577_100009861089 [0,0,1,0,0,0|1,0,0]=2 585 B18R2.28835 C=CCCCCNCc1ccc2ncsc2c1 2230a_100000703577_100009847474 [0,0,1,0,0,0|1,0,0]=2 586 B18R2.28835 C=CCCCCNCc1ccc2ncsc2c1 270004a_100000703577_100009861089 [0,0,1,0,0,0|1,0,0]=2 587 B18R2.28835 C=CCCCCNCc1ccc2ncsc2c1 34a_100000703577_100009847474 [0,0,1,0,0,0|1,0,0]=2 588 B18R2.28835 C=CCCCCNCc1ccc2nonc2c1 2230a_100000703577_100000733437 [0,0,1,0,0,0|1,0,1]=3 589 B18R2.28835 C=CCCCCNCc1ccc2nonc2c1 270004a_100000703577_100000042170 [0,0,1,0,0,0|1,0,1]=3 590 B18R2.28835 C=CCCCCNCc1ccc2nonc2c1 34a_100000703577_100000733437 [0,0,1,0,0,0|1,0,1]=3 591 B18R2.28835 C=CCCCCNCc1ccc2nsnc2c1 207a_100000703577_100000042169 [0,0,1,0,0,0|1,0,1]=3 592 B18R2.28835 C=CCCCCNCc1ccc2nsnc2c1 2230a_100000703577_100000187484 [0,0,1,0,0,0|1,0,1]=3 593 B18R2.28835 C=CCCCCNCc1ccc2nsnc2c1 270004a_100000703577_100000042169 [0,0,1,0,0,0|1,0,1]=3 594 B18R2.28835 C=CCCCCNCc1ccc2nsnc2c1 34a_100000703577_100000187484 [0,0,1,0,0,0|1,0,1]=3 595 B18R2.28835 C=CCCCCNCc1ccc2occc2c1 207a_100000703577_100000040644 [0,0,1,0,0,0|2,0,0]=3 596 B18R2.28835 C=CCCCCNCc1ccc2occc2c1 2230a_100020591328_100011215482 [0,0,1,0,0,0|2,0,0]=3 597 B18R2.28835 C=CCCCCNCc1ccc2occc2c1 270004a_100000703577_100000040644 [0,0,1,0,0,0|2,0,0]=3 598 B18R2.28835 C=CCCCCNCc1ccc2occc2c1 34a_100020591328_100011215482 [0,0,1,0,0,0|2,0,0]=3 599 B18R2.28835 C=CCCCCNCc1ccc2ocnc2c1 207a_100000703577_100010271902 [0,0,1,0,0,0|1,0,1]=3 600 B18R2.28835 C=CCCCCNCc1ccc2ocnc2c1 2230a_100000703577_200010203175 [0,0,1,0,0,0|1,0,1]=3 601 B18R2.28835 C=CCCCCNCc1ccc2ocnc2c1 270004a_100000703577_100010271902 [0,0,1,0,0,0|1,0,1]=3 602 B18R2.28835 C=CCCCCNCc1ccc2ocnc2c1 34a_100000703577_200010203175 [0,0,1,0,0,0|1,0,1]=3 603 B18R2.28835 C=CCCCCNCc1ccc2sccc2c1 207a_100000703577_100000050658 [0,0,1,0,0,0|2,0,0]=3 604 B18R2.28835 C=CCCCCNCc1ccc2sccc2c1 2230a_100000732457_100011215482 [0,0,1,0,0,0|2,0,0]=3 605 B18R2.28835 C=CCCCCNCc1ccc2sccc2c1 270004a_100000703577_100000050658 [0,0,1,0,0,0|2,0,0]=3 606 B18R2.28835 C=CCCCCNCc1ccc2sccc2c1 34a_100000732457_100011215482 [0,0,1,0,0,0|2,0,0]=3 607 B18R2.28835 C=CCCCCNCc1ccc2scnc2c1 207a_100000703577_100000718305 [0,0,1,0,0,0|1,0,1]=3 608 B18R2.28835 C=CCCCCNCc1ccc2scnc2c1 270004a_100000703577_100000718305 [0,0,1,0,0,0|1,0,1]=3 609 B18R2.28835 C=CCCCCNCc1ccc2snnc2c1 270004a_100000703577_100000069034 [0,0,1,0,0,0|2,0,1]=4 610 B18R2.28835 C=CCCCCNCc1ccn2ccnc2c1 207a_100000703577_100009875053 [0,0,1,0,0,0|2,0,1]=4 611 B18R2.28835 C=CCCCCNCc1ccn2nccc2c1 207a_100000703577_100009861398 [0,0,1,0,0,0|2,0,0]=3 612 B18R2.28835 C=CCCCCNCc1ccn2nccc2c1 270004a_100000703577_100009861398 [0,0,1,0,0,0|2,0,0]=3 613 B18R2.28835 C=CCCCCNCc1cnc2[nH]ccc2c1 207a_100000703577_100000050907 [0,0,1,0,0,0|2,0,1]=4 614 B18R2.28835 C=CCCCCNCc1cnc2[nH]ccc2c1 270004a_100000703577_100000050907 [0,0,1,0,0,0|2,0,1]=4 615 B18R2.28835 C=CCCCCNCc1cnc2cc[nH]c2c1 207a_100000703577_100000094745 [0,0,1,0,0,0|2,0,0]=3 616 B18R2.28835 C=CCCCCNCc1cnc2cc[nH]c2c1 270004a_100000703577_100000094745 [0,0,1,0,0,0|2,0,0]=3 617 B18R2.28835 C=CCCCCOCc1ccc2c(c1)NCC2 34a_100000694088_100011215482 [0,0,1,0,0,0|2,0,1]=4 618 B18R2.28835 C=CCCCCOCc1ccc2ccoc2c1 34a_200009859634_100011215482 [0,0,1,0,0,0|3,0,0]=4 619 B18R2.28835 C=CCCCCOCc1ccc2ccoc2c1 7a_200009859634_100011215482 [0,0,1,0,0,0|3,0,0]=4 620 B18R2.28835 C=CCCCCOCc1ccc2ccsc2c1 34a_100010262773_100011215482 [0,0,1,0,0,0|3,0,0]=4 621 B18R2.28835 C=CCCCCOCc1ccc2ccsc2c1 7a_100010262773_100011215482 [0,0,1,0,0,0|3,0,0]=4 622 B18R2.28835 C=CCCCCOCc1ccc2cn[nH]c2c1 34a_100000766645_100020605281 [0,0,1,0,0,0|3,0,0]=4 623 B18R2.28835 C=CCCCCOCc1ccc2cn[nH]c2c1 7a_100000766645_100020605281 [0,0,1,0,0,0|3,0,0]=4 624 B18R2.28835 C=CCCCCOCc1ccc2ncoc2c1 34a_100000766645_106359897996 [0,0,1,0,0,0|2,0,0]=3 625 B18R2.28835 C=CCCCCOCc1ccc2ncoc2c1 7a_100000766645_106359897996 [0,0,1,0,0,0|2,0,0]=3 626 B18R2.28835 C=CCCCCOCc1ccc2ncsc2c1 34a_100000766645_100009847474 [0,0,1,0,0,0|2,0,0]=3 627 B18R2.28835 C=CCCCCOCc1ccc2ncsc2c1 7a_100000766645_100009847474 [0,0,1,0,0,0|2,0,0]=3 628 B18R2.28835 C=CCCCCOCc1ccc2nonc2c1 34a_100000766645_100000733437 [0,0,1,0,0,0|2,0,1]=4 629 B18R2.28835 C=CCCCCOCc1ccc2nonc2c1 7a_100000766645_100000733437 [0,0,1,0,0,0|2,0,1]=4 630 B18R2.28835 C=CCCCCOCc1ccc2nsnc2c1 34a_100000766645_100000187484 [0,0,1,0,0,0|2,0,1]=4 631 B18R2.28835 C=CCCCCOCc1ccc2nsnc2c1 7a_100000766645_100000187484 [0,0,1,0,0,0|2,0,1]=4 632 B18R2.28835 C=CCCCCOCc1ccc2occc2c1 34a_100000067418_100011215482 [0,0,1,0,0,0|3,0,0]=4 633 B18R2.28835 C=CCCCCOCc1ccc2occc2c1 7a_100000067418_100011215482 [0,0,1,0,0,0|3,0,0]=4 634 B18R2.28835 C=CCCCCOCc1ccc2ocnc2c1 34a_100000766645_200010203175 [0,0,1,0,0,0|2,0,1]=4 635 B18R2.28835 C=CCCCCOCc1ccc2ocnc2c1 7a_100000766645_200010203175 [0,0,1,0,0,0|2,0,1]=4 636 B18R2.28835 C=CCCCCOCc1ccc2sccc2c1 34a_100000068000_100011215482 [0,0,1,0,0,0|3,0,0]=4 637 B18R2.28835 C=CCCCCOCc1ccc2sccc2c1 7a_100000068000_100011215482 [0,0,1,0,0,0|3,0,0]=4 638 B18R2.28835 C=CCCCCOCc1ccc2scnc2c1 34a_100009883289_100011215482 [0,0,1,0,0,0|2,0,1]=4 639 B18R2.28835 C=CCCCCSCc1ccc2cn[nH]c2c1 62a_100011215482_100020605281 [0,0,1,0,0,0|3,0,0]=4 640 B18R2.28835 C=CCCCCSCc1ccc2cn[nH]c2c1 62a_100020605281_100011215482 [0,0,1,0,0,0|3,0,0]=4 641 B18R2.28835 C=CCCCCSCc1ccc2ncoc2c1 62a_100011215482_106359897996 [0,0,1,0,0,0|2,0,0]=3 642 B18R2.28835 C=CCCCCSCc1ccc2ncoc2c1 62a_106359897996_100011215482 [0,0,1,0,0,0|2,0,0]=3 643 B18R2.28835 C=CCCCCSCc1ccc2ncsc2c1 62a_100009847474_100011215482 [0,0,1,0,0,0|2,0,0]=3 644 B18R2.28835 C=CCCCCSCc1ccc2ncsc2c1 62a_100011215482_100009847474 [0,0,1,0,0,0|2,0,0]=3 645 B18R2.28835 C=CCCCCSCc1ccc2nonc2c1 62a_100000733437_100011215482 [0,0,1,0,0,0|2,0,1]=4 646 B18R2.28835 C=CCCCCSCc1ccc2nonc2c1 62a_100011215482_100000733437 [0,0,1,0,0,0|2,0,1]=4 647 B18R2.28835 C=CCCCCSCc1ccc2nsnc2c1 62a_100000187484_100011215482 [0,0,1,0,0,0|2,0,1]=4 648 B18R2.28835 C=CCCCCSCc1ccc2nsnc2c1 62a_100011215482_100000187484 [0,0,1,0,0,0|2,0,1]=4 649 B18R2.28835 C=CCCCCSCc1ccc2ocnc2c1 62a_100011215482_200010203175 [0,0,1,0,0,0|2,0,1]=4 650 B18R2.28835 C=CCOCCOCc1ccc2ncoc2c1 34a_100000037705_106359897996 [0,0,1,0,0,0|3,0,0]=4 651 B18R2.28835 C=CCOCCOCc1ccc2ncoc2c1 7a_100000037705_106359897996 [0,0,1,0,0,0|3,0,0]=4 652 B18R2.28835 C=CCOCCOCc1ccc2ncsc2c1 34a_100000037705_100009847474 [0,0,1,0,0,0|3,0,0]=4 653 B18R2.28835 C=CCOCCOCc1ccc2ncsc2c1 7a_100000037705_100009847474 [0,0,1,0,0,0|3,0,0]=4 654 B18R2.28835 C=COCCCNCc1ccc2[nH]ccc2c1 207a_100000210767_100011197475 [0,0,1,0,0,0|2,0,1]=4 655 B18R2.28835 C=COCCCNCc1ccc2[nH]ccc2c1 270004a_100000210767_100011197475 [0,0,1,0,0,0|2,0,1]=4 656 B18R2.28835 C=COCCCNCc1ccc2cc[nH]c2c1 207a_100000210767_100011218920 [0,0,1,0,0,0|2,0,0]=3 657 B18R2.28835 C=COCCCNCc1ccc2cc[nH]c2c1 270004a_100000210767_100011218920 [0,0,1,0,0,0|2,0,0]=3 658 B18R2.28835 C=COCCCNCc1ccc2cc[nH]c2n1 207a_100000210767_100000089654 [0,0,1,0,0,0|3,0,0]=4 659 B18R2.28835 C=COCCCNCc1ccc2cc[nH]c2n1 270004a_100000210767_100000089654 [0,0,1,0,0,0|3,0,0]=4 660 B18R2.28835 C=COCCCNCc1ccc2ccsc2c1 207a_100000210767_100000112508 [0,0,1,0,0,0|3,0,0]=4 661 B18R2.28835 C=COCCCNCc1ccc2ccsc2c1 270004a_100000210767_100000112508 [0,0,1,0,0,0|3,0,0]=4 662 B18R2.28835 C=COCCCNCc1ccc2cn[nH]c2c1 207a_100000210767_100137314666 [0,0,1,0,0,0|3,0,0]=4 663 B18R2.28835 C=COCCCNCc1ccc2cn[nH]c2c1 2230a_100000210767_100020605281 [0,0,1,0,0,0|3,0,0]=4 664 B18R2.28835 C=COCCCNCc1ccc2cn[nH]c2c1 270004a_100000210767_100137314666 [0,0,1,0,0,0|3,0,0]=4 665 B18R2.28835 C=COCCCNCc1ccc2cn[nH]c2c1 34a_100000210767_100020605281 [0,0,1,0,0,0|3,0,0]=4 666 B18R2.28835 C=COCCCNCc1ccc2n[nH]cc2c1 207a_100000210767_100000068381 [0,0,1,0,0,0|3,0,0]=4 667 B18R2.28835 C=COCCCNCc1ccc2n[nH]cc2c1 270004a_100000210767_100000068381 [0,0,1,0,0,0|3,0,0]=4 668 B18R2.28835 C=COCCCNCc1ccc2nc[nH]c2c1 207a_100000210767_100000059205 [0,0,1,0,0,0|1,0,0]=2 669 B18R2.28835 C=COCCCNCc1ccc2nc[nH]c2c1 270004a_100000210767_100000059205 [0,0,1,0,0,0|1,0,0]=2 670 B18R2.28835 C=COCCCNCc1ccc2nccn2c1 207a_100000210767_100000059712 [0,0,1,0,0,0|3,0,0]=4 671 B18R2.28835 C=COCCCNCc1ccc2nccn2c1 270004a_100000210767_100000059712 [0,0,1,0,0,0|3,0,0]=4 672 B18R2.28835 C=COCCCNCc1ccc2ncnn2c1 207a_100000210767_100000102685 [0,0,1,0,0,0|2,0,1]=4 673 B18R2.28835 C=COCCCNCc1ccc2ncnn2c1 270004a_100000210767_100000102685 [0,0,1,0,0,0|2,0,1]=4 674 B18R2.28835 C=COCCCNCc1ccc2ncoc2c1 207a_100000210767_100000059852 [0,0,1,0,0,0|2,0,0]=3 675 B18R2.28835 C=COCCCNCc1ccc2ncoc2c1 2230a_100000210767_106359897996 [0,0,1,0,0,0|2,0,0]=3 676 B18R2.28835 C=COCCCNCc1ccc2ncoc2c1 270004a_100000210767_100000059852 [0,0,1,0,0,0|2,0,0]=3 677 B18R2.28835 C=COCCCNCc1ccc2ncoc2c1 34a_100000210767_106359897996 [0,0,1,0,0,0|2,0,0]=3 678 B18R2.28835 C=COCCCNCc1ccc2ncsc2c1 207a_100000210767_100009861089 [0,0,1,0,0,0|2,0,0]=3 679 B18R2.28835 C=COCCCNCc1ccc2ncsc2c1 2230a_100000210767_100009847474 [0,0,1,0,0,0|2,0,0]=3 680 B18R2.28835 C=COCCCNCc1ccc2ncsc2c1 270004a_100000210767_100009861089 [0,0,1,0,0,0|2,0,0]=3 681 B18R2.28835 C=COCCCNCc1ccc2ncsc2c1 34a_100000210767_100009847474 [0,0,1,0,0,0|2,0,0]=3 682 B18R2.28835 C=COCCCNCc1ccc2nonc2c1 2230a_100000210767_100000733437 [0,0,1,0,0,0|2,0,1]=4 683 B18R2.28835 C=COCCCNCc1ccc2nonc2c1 270004a_100000210767_100000042170 [0,0,1,0,0,0|2,0,1]=4 684 B18R2.28835 C=COCCCNCc1ccc2nonc2c1 34a_100000210767_100000733437 [0,0,1,0,0,0|2,0,1]=4 685 B18R2.28835 C=COCCCNCc1ccc2nsnc2c1 207a_100000210767_100000042169 [0,0,1,0,0,0|2,0,1]=4 686 B18R2.28835 C=COCCCNCc1ccc2nsnc2c1 2230a_100000210767_100000187484 [0,0,1,0,0,0|2,0,1]=4 687 B18R2.28835 C=COCCCNCc1ccc2nsnc2c1 270004a_100000210767_100000042169 [0,0,1,0,0,0|2,0,1]=4 688 B18R2.28835 C=COCCCNCc1ccc2nsnc2c1 34a_100000210767_100000187484 [0,0,1,0,0,0|2,0,1]=4 689 B18R2.28835 C=COCCCNCc1ccc2occc2c1 207a_100000210767_100000040644 [0,0,1,0,0,0|3,0,0]=4 690 B18R2.28835 C=COCCCNCc1ccc2occc2c1 270004a_100000210767_100000040644 [0,0,1,0,0,0|3,0,0]=4 691 B18R2.28835 C=COCCCNCc1ccc2ocnc2c1 207a_100000210767_100010271902 [0,0,1,0,0,0|2,0,1]=4 692 B18R2.28835 C=COCCCNCc1ccc2ocnc2c1 2230a_100000210767_200010203175 [0,0,1,0,0,0|2,0,1]=4 693 B18R2.28835 C=COCCCNCc1ccc2ocnc2c1 270004a_100000210767_100010271902 [0,0,1,0,0,0|2,0,1]=4 694 B18R2.28835 C=COCCCNCc1ccc2ocnc2c1 34a_100000210767_200010203175 [0,0,1,0,0,0|2,0,1]=4 695 B18R2.28835 C=COCCCNCc1ccc2sccc2c1 207a_100000210767_100000050658 [0,0,1,0,0,0|3,0,0]=4 696 B18R2.28835 C=COCCCNCc1ccc2sccc2c1 270004a_100000210767_100000050658 [0,0,1,0,0,0|3,0,0]=4 697 B18R2.28835 C=COCCCNCc1ccc2scnc2c1 207a_100000210767_100000718305 [0,0,1,0,0,0|2,0,1]=4 698 B18R2.28835 C=COCCCNCc1ccc2scnc2c1 270004a_100000210767_100000718305 [0,0,1,0,0,0|2,0,1]=4 699 B18R2.28835 C=COCCCNCc1ccn2nccc2c1 207a_100000210767_100009861398 [0,0,1,0,0,0|3,0,0]=4 700 B18R2.28835 C=COCCCNCc1ccn2nccc2c1 270004a_100000210767_100009861398 [0,0,1,0,0,0|3,0,0]=4 701 B18R2.28835 C=COCCCNCc1cnc2cc[nH]c2c1 207a_100000210767_100000094745 [0,0,1,0,0,0|3,0,0]=4 702 B18R2.28835 C=COCCCNCc1cnc2cc[nH]c2c1 270004a_100000210767_100000094745 [0,0,1,0,0,0|3,0,0]=4 703 B18R2.28835 CC/C=C\CCNCc1ccc2c(c1)CCO2 2230a_100011219410_100015370543 [0,0,1,0,0,0|2,0,1]=4 704 B18R2.28835 CC/C=C\CCNCc1ccc2c(c1)CCO2 34a_100011219410_100015370543 [0,0,1,0,0,0|2,0,1]=4 705 B18R2.28835 CC/C=C\CCNCc1ccc2c(c1)OCO2 2230a_100000210006_100015370543 [0,0,1,0,0,0|2,0,1]=4 706 B18R2.28835 CC/C=C\CCNCc1ccc2c(c1)OCO2 34a_100000210006_100015370543 [0,0,1,0,0,0|2,0,1]=4 707 B18R2.28835 CC/C=C\CCNCc1ccc2occc2c1 2230a_100020591328_100015370543 [0,0,1,0,0,0|2,0,0]=3 708 B18R2.28835 CC/C=C\CCNCc1ccc2occc2c1 34a_100020591328_100015370543 [0,0,1,0,0,0|2,0,0]=3 709 B18R2.28835 CC/C=C\CCNCc1ccc2sccc2c1 2230a_100000732457_100015370543 [0,0,1,0,0,0|2,0,0]=3 710 B18R2.28835 CC/C=C\CCNCc1ccc2sccc2c1 34a_100000732457_100015370543 [0,0,1,0,0,0|2,0,0]=3 711 B18R2.28835 CC/C=C\CCOCc1ccc2c(c1)NCC2 34a_100000694088_100015370543 [0,0,1,0,0,0|2,0,1]=4 712 B18R2.28835 CC/C=C\CCOCc1ccc2ccoc2c1 34a_200009859634_100015370543 [0,0,1,0,0,0|3,0,0]=4 713 B18R2.28835 CC/C=C\CCOCc1ccc2ccoc2c1 7a_200009859634_100015370543 [0,0,1,0,0,0|3,0,0]=4 714 B18R2.28835 CC/C=C\CCOCc1ccc2ccsc2c1 34a_100010262773_100015370543 [0,0,1,0,0,0|3,0,0]=4 715 B18R2.28835 CC/C=C\CCOCc1ccc2ccsc2c1 7a_100010262773_100015370543 [0,0,1,0,0,0|3,0,0]=4 716 B18R2.28835 CC/C=C\CCOCc1ccc2cn[nH]c2c1 34a_100016288707_100020605281 [0,0,1,0,0,0|3,0,0]=4 717 B18R2.28835 CC/C=C\CCOCc1ccc2cn[nH]c2c1 7a_100016288707_100020605281 [0,0,1,0,0,0|3,0,0]=4 718 B18R2.28835 CC/C=C\CCOCc1ccc2ncoc2c1 34a_100016288707_106359897996 [0,0,1,0,0,0|2,0,0]=3 719 B18R2.28835 CC/C=C\CCOCc1ccc2ncoc2c1 7a_100016288707_106359897996 [0,0,1,0,0,0|2,0,0]=3 720 B18R2.28835 CC/C=C\CCOCc1ccc2ncsc2c1 34a_100016288707_100009847474 [0,0,1,0,0,0|2,0,0]=3 721 B18R2.28835 CC/C=C\CCOCc1ccc2ncsc2c1 7a_100016288707_100009847474 [0,0,1,0,0,0|2,0,0]=3 722 B18R2.28835 CC/C=C\CCOCc1ccc2nonc2c1 34a_100016288707_100000733437 [0,0,1,0,0,0|2,0,1]=4 723 B18R2.28835 CC/C=C\CCOCc1ccc2nonc2c1 7a_100016288707_100000733437 [0,0,1,0,0,0|2,0,1]=4 724 B18R2.28835 CC/C=C\CCOCc1ccc2nsnc2c1 34a_100016288707_100000187484 [0,0,1,0,0,0|2,0,1]=4 725 B18R2.28835 CC/C=C\CCOCc1ccc2nsnc2c1 7a_100016288707_100000187484 [0,0,1,0,0,0|2,0,1]=4 726 B18R2.28835 CC/C=C\CCOCc1ccc2occc2c1 34a_100000067418_100015370543 [0,0,1,0,0,0|3,0,0]=4 727 B18R2.28835 CC/C=C\CCOCc1ccc2occc2c1 7a_100000067418_100015370543 [0,0,1,0,0,0|3,0,0]=4 728 B18R2.28835 CC/C=C\CCOCc1ccc2ocnc2c1 34a_100016288707_200010203175 [0,0,1,0,0,0|2,0,1]=4 729 B18R2.28835 CC/C=C\CCOCc1ccc2ocnc2c1 7a_100016288707_200010203175 [0,0,1,0,0,0|2,0,1]=4 730 B18R2.28835 CC/C=C\CCOCc1ccc2sccc2c1 34a_100000068000_100015370543 [0,0,1,0,0,0|3,0,0]=4 731 B18R2.28835 CC/C=C\CCOCc1ccc2sccc2c1 7a_100000068000_100015370543 [0,0,1,0,0,0|3,0,0]=4 732 B18R2.28835 CC/C=C\CCOCc1ccc2scnc2c1 34a_100009883289_100015370543 [0,0,1,0,0,0|2,0,1]=4 733 B18R2.28835 CC/C=C\CCSCc1ccc2cn[nH]c2c1 62a_100015370543_100020605281 [0,0,1,0,0,0|3,0,0]=4 734 B18R2.28835 CC/C=C\CCSCc1ccc2cn[nH]c2c1 62a_100020605281_100015370543 [0,0,1,0,0,0|3,0,0]=4 735 B18R2.28835 CC/C=C\CCSCc1ccc2ncoc2c1 62a_100015370543_106359897996 [0,0,1,0,0,0|2,0,0]=3 736 B18R2.28835 CC/C=C\CCSCc1ccc2ncoc2c1 62a_106359897996_100015370543 [0,0,1,0,0,0|2,0,0]=3 737 B18R2.28835 CC/C=C\CCSCc1ccc2ncsc2c1 62a_100009847474_100015370543 [0,0,1,0,0,0|2,0,0]=3 738 B18R2.28835 CC/C=C\CCSCc1ccc2ncsc2c1 62a_100015370543_100009847474 [0,0,1,0,0,0|2,0,0]=3 739 B18R2.28835 CC/C=C\CCSCc1ccc2nonc2c1 62a_100000733437_100015370543 [0,0,1,0,0,0|2,0,1]=4 740 B18R2.28835 CC/C=C\CCSCc1ccc2nonc2c1 62a_100015370543_100000733437 [0,0,1,0,0,0|2,0,1]=4 741 B18R2.28835 CC/C=C\CCSCc1ccc2nsnc2c1 62a_100000187484_100015370543 [0,0,1,0,0,0|2,0,1]=4 742 B18R2.28835 CC/C=C\CCSCc1ccc2nsnc2c1 62a_100015370543_100000187484 [0,0,1,0,0,0|2,0,1]=4 743 B18R2.28835 CC/C=C\CCSCc1ccc2ocnc2c1 62a_100015370543_200010203175 [0,0,1,0,0,0|2,0,1]=4 744 B18R2.28835 CCCCCCNCc1ccc2cc[nH]c2c1 207a_100000210581_100011218920 [0,0,1,0,0,0|1,0,2]=4 745 B18R2.28835 CCCCCCNCc1ccc2cc[nH]c2c1 270004a_100000210581_100011218920 [0,0,1,0,0,0|1,0,2]=4 746 B18R2.28835 CCCCCCNCc1ccc2nc[nH]c2c1 207a_100000210581_100000059205 [0,0,1,0,0,0|0,0,2]=3 747 B18R2.28835 CCCCCCNCc1ccc2nc[nH]c2c1 270004a_100000210581_100000059205 [0,0,1,0,0,0|0,0,2]=3 748 B18R2.28835 CCCCCCNCc1ccc2ncoc2c1 207a_100000210581_100000059852 [0,0,1,0,0,0|1,0,2]=4 749 B18R2.28835 CCCCCCNCc1ccc2ncoc2c1 2230a_100000210581_106359897996 [0,0,1,0,0,0|1,0,2]=4 750 B18R2.28835 CCCCCCNCc1ccc2ncoc2c1 270004a_100000210581_100000059852 [0,0,1,0,0,0|1,0,2]=4 751 B18R2.28835 CCCCCCNCc1ccc2ncsc2c1 207a_100000210581_100009861089 [0,0,1,0,0,0|1,0,2]=4 752 B18R2.28835 CCCCCCNCc1ccc2ncsc2c1 2230a_100000210581_100009847474 [0,0,1,0,0,0|1,0,2]=4 753 B18R2.28835 CCCCCCNCc1ccc2ncsc2c1 270004a_100000210581_100009861089 [0,0,1,0,0,0|1,0,2]=4 754 B18R2.28835 CCCOCCNCc1ccc2cc[nH]c2c1 207a_100161115042_100011218920 [0,0,1,0,0,0|2,0,1]=4 755 B18R2.28835 CCCOCCNCc1ccc2cc[nH]c2c1 270004a_100161115042_100011218920 [0,0,1,0,0,0|2,0,1]=4 756 B18R2.28835 CCCOCCNCc1ccc2nc[nH]c2c1 207a_100161115042_100000059205 [0,0,1,0,0,0|1,0,1]=3 757 B18R2.28835 CCCOCCNCc1ccc2nc[nH]c2c1 270004a_100161115042_100000059205 [0,0,1,0,0,0|1,0,1]=3 758 B18R2.28835 CCCOCCNCc1ccc2ncoc2c1 207a_100161115042_100000059852 [0,0,1,0,0,0|2,0,1]=4 759 B18R2.28835 CCCOCCNCc1ccc2ncoc2c1 2230a_100161115042_106359897996 [0,0,1,0,0,0|2,0,1]=4 760 B18R2.28835 CCCOCCNCc1ccc2ncoc2c1 270004a_100161115042_100000059852 [0,0,1,0,0,0|2,0,1]=4 761 B18R2.28835 CCCOCCNCc1ccc2ncoc2c1 34a_100161115042_106359897996 [0,0,1,0,0,0|2,0,1]=4 762 B18R2.28835 CCCOCCNCc1ccc2ncsc2c1 207a_100161115042_100009861089 [0,0,1,0,0,0|2,0,1]=4 763 B18R2.28835 CCCOCCNCc1ccc2ncsc2c1 2230a_100161115042_100009847474 [0,0,1,0,0,0|2,0,1]=4 764 B18R2.28835 CCCOCCNCc1ccc2ncsc2c1 270004a_100161115042_100009861089 [0,0,1,0,0,0|2,0,1]=4 765 B18R2.28835 CCCOCCNCc1ccc2ncsc2c1 34a_100161115042_100009847474 [0,0,1,0,0,0|2,0,1]=4 766 B18R2.28835 CCCSCCNCc1ccc2cc[nH]c2c1 207a_100020603323_100011218920 [0,0,1,0,0,0|2,0,1]=4 767 B18R2.28835 CCCSCCNCc1ccc2cc[nH]c2c1 270004a_100020603323_100011218920 [0,0,1,0,0,0|2,0,1]=4 768 B18R2.28835 CCCSCCNCc1ccc2nc[nH]c2c1 207a_100020603323_100000059205 [0,0,1,0,0,0|1,0,1]=3 769 B18R2.28835 CCCSCCNCc1ccc2nc[nH]c2c1 270004a_100020603323_100000059205 [0,0,1,0,0,0|1,0,1]=3 770 B18R2.28835 CCCSCCNCc1ccc2ncoc2c1 207a_100020603323_100000059852 [0,0,1,0,0,0|2,0,1]=4 771 B18R2.28835 CCCSCCNCc1ccc2ncoc2c1 2230a_100020603323_106359897996 [0,0,1,0,0,0|2,0,1]=4 772 B18R2.28835 CCCSCCNCc1ccc2ncoc2c1 270004a_100020603323_100000059852 [0,0,1,0,0,0|2,0,1]=4 773 B18R2.28835 CCCSCCNCc1ccc2ncsc2c1 207a_100020603323_100009861089 [0,0,1,0,0,0|2,0,1]=4 774 B18R2.28835 CCCSCCNCc1ccc2ncsc2c1 2230a_100020603323_100009847474 [0,0,1,0,0,0|2,0,1]=4 775 B18R2.28835 CCCSCCNCc1ccc2ncsc2c1 270004a_100020603323_100009861089 [0,0,1,0,0,0|2,0,1]=4 776 B18R2.28835 CCOCCCNCc1ccc2cc[nH]c2c1 207a_100000210961_100011218920 [0,0,1,0,0,0|2,0,1]=4 777 B18R2.28835 CCOCCCNCc1ccc2cc[nH]c2c1 270004a_100000210961_100011218920 [0,0,1,0,0,0|2,0,1]=4 778 B18R2.28835 CCOCCCNCc1ccc2nc[nH]c2c1 207a_100000210961_100000059205 [0,0,1,0,0,0|1,0,1]=3 779 B18R2.28835 CCOCCCNCc1ccc2nc[nH]c2c1 270004a_100000210961_100000059205 [0,0,1,0,0,0|1,0,1]=3 780 B18R2.28835 CCOCCCNCc1ccc2ncoc2c1 207a_100000210961_100000059852 [0,0,1,0,0,0|2,0,1]=4 781 B18R2.28835 CCOCCCNCc1ccc2ncoc2c1 2230a_100000210961_106359897996 [0,0,1,0,0,0|2,0,1]=4 782 B18R2.28835 CCOCCCNCc1ccc2ncoc2c1 270004a_100000210961_100000059852 [0,0,1,0,0,0|2,0,1]=4 783 B18R2.28835 CCOCCCNCc1ccc2ncoc2c1 34a_100000210961_106359897996 [0,0,1,0,0,0|2,0,1]=4 784 B18R2.28835 CCOCCCNCc1ccc2ncsc2c1 207a_100000210961_100009861089 [0,0,1,0,0,0|2,0,1]=4 785 B18R2.28835 CCOCCCNCc1ccc2ncsc2c1 2230a_100000210961_100009847474 [0,0,1,0,0,0|2,0,1]=4 786 B18R2.28835 CCOCCCNCc1ccc2ncsc2c1 270004a_100000210961_100009861089 [0,0,1,0,0,0|2,0,1]=4 787 B18R2.28835 CCOCCCNCc1ccc2ncsc2c1 34a_100000210961_100009847474 [0,0,1,0,0,0|2,0,1]=4 788 B18R2.28835 N#CCCCCNCc1ccc2cc[nH]c2c1 270004a_100000751965_100011218920 [0,0,1,0,0,0|2,0,1]=4 789 B18R2.28835 N#CCCCCNCc1ccc2nc[nH]c2c1 270004a_100000751965_100000059205 [0,0,1,0,0,0|1,0,1]=3 790 B18R2.28835 N#CCCCCNCc1ccc2ncoc2c1 270004a_100000751965_100000059852 [0,0,1,0,0,0|2,0,1]=4 791 B18R2.28835 N#CCCCCNCc1ccc2ncsc2c1 270004a_100000751965_100009861089 [0,0,1,0,0,0|2,0,1]=4 792 B18R2.28835 O=CCCCCNCc1ccc2occc2c1 2230a_100020591328_100000139335 [0,0,1,0,0,0|3,0,0]=4 793 B18R2.28835 O=CCCCCNCc1ccc2sccc2c1 2230a_100000732457_100000139335 [0,0,1,0,0,0|3,0,0]=4 794 B18R2.28835 O=CCCCCSCc1ccc2ncoc2c1 62a_100000139335_106359897996 [0,0,1,0,0,0|3,0,0]=4 795 B18R2.28835 O=CCCCCSCc1ccc2ncoc2c1 62a_106359897996_100000139335 [0,0,1,0,0,0|3,0,0]=4 796 B18R2.28835 O=CCCCCSCc1ccc2ncsc2c1 62a_100000139335_100009847474 [0,0,1,0,0,0|3,0,0]=4 797 B18R2.28835 O=CCCCCSCc1ccc2ncsc2c1 62a_100009847474_100000139335 [0,0,1,0,0,0|3,0,0]=4 798 B18R2.28835 OCCCCCNCc1ccc2cc[nH]c2c1 207a_100000762737_100011218920 [0,0,1,0,0,0|2,0,1]=4 799 B18R2.28835 OCCCCCNCc1ccc2cc[nH]c2c1 270004a_100000762737_100011218920 [0,0,1,0,0,0|2,0,1]=4 800 B18R2.28835 OCCCCCNCc1ccc2nc[nH]c2c1 207a_100000762737_100000059205 [0,0,1,0,0,0|1,0,1]=3 801 B18R2.28835 OCCCCCNCc1ccc2nc[nH]c2c1 270004a_100000762737_100000059205 [0,0,1,0,0,0|1,0,1]=3 802 B18R2.28835 OCCCCCNCc1ccc2ncoc2c1 207a_100000762737_100000059852 [0,0,1,0,0,0|2,0,1]=4 803 B18R2.28835 OCCCCCNCc1ccc2ncoc2c1 2230a_100000762737_106359897996 [0,0,1,0,0,0|2,0,1]=4 804 B18R2.28835 OCCCCCNCc1ccc2ncoc2c1 270004a_100000762737_100000059852 [0,0,1,0,0,0|2,0,1]=4 805 B18R2.28835 OCCCCCNCc1ccc2ncoc2c1 34a_100000762737_106359897996 [0,0,1,0,0,0|2,0,1]=4 806 B18R2.28835 OCCCCCNCc1ccc2ncsc2c1 207a_100000762737_100009861089 [0,0,1,0,0,0|2,0,1]=4 807 B18R2.28835 OCCCCCNCc1ccc2ncsc2c1 2230a_100000762737_100009847474 [0,0,1,0,0,0|2,0,1]=4 808 B18R2.28835 OCCCCCNCc1ccc2ncsc2c1 270004a_100000762737_100009861089 [0,0,1,0,0,0|2,0,1]=4 809 B18R2.28835 OCCCCCNCc1ccc2ncsc2c1 34a_100000762737_100009847474 [0,0,1,0,0,0|2,0,1]=4 810 B18R2.28835 OCCOCCNCc1ccc2nc[nH]c2c1 207a_100000211614_100000059205 [0,0,1,0,0,0|2,0,1]=4 811 B18R2.28835 OCCOCCNCc1ccc2nc[nH]c2c1 270004a_100000211614_100000059205 [0,0,1,0,0,0|2,0,1]=4 812 B18R2.28835 OCCSCCNCc1ccc2nc[nH]c2c1 207a_100011219999_100000059205 [0,0,1,0,0,0|2,0,1]=4 813 B18R2.28835 OCCSCCNCc1ccc2nc[nH]c2c1 270004a_100011219999_100000059205 [0,0,1,0,0,0|2,0,1]=4 814 B18R2.28835 [N-]=[N+]=NCCCNCc1ccc2nc[nH]c2c1 270004a_100000744732_100000059205 [0,0,1,0,0,0|3,0,0]=4 815 B18R2.77916 CCCC(C)CNCc1ccc2cc[nH]c2c1 270004a_100011912548_100000243154 [0,0,1,0,0,0|1,0,2]=4 816 B18R2.77916 COCC(O)CNCc1ccc2nc[nH]c2c1 207a_100000756049_100000059205 [0,0,1,0,0,0|2,0,1]=4 817 B18R2.77916 COCC(O)CNCc1ccc2nc[nH]c2c1 270004a_100000756049_100000059205 [0,0,1,0,0,0|2,0,1]=4 818 B18R2.78677 CCC(CC)CNCc1ccc2cc[nH]c2c1 207a_100102946423_100011218920 [0,0,1,0,0,0|1,0,2]=4 819 B18R2.78677 CCC(CC)CNCc1ccc2cc[nH]c2c1 269862a_100011912548_100000211137 [0,0,1,0,0,0|1,0,2]=4 820 B18R2.78677 CCC(CC)CNCc1ccc2cc[nH]c2c1 270004a_100011912548_100000211137 [0,0,1,0,0,0|1,0,2]=4 821 B18R2.78677 CCC(CC)CNCc1ccc2cc[nH]c2c1 270004a_100102946423_100011218920 [0,0,1,0,0,0|1,0,2]=4 822 B18R2.78677 CCC(CC)CNCc1ccc2nc[nH]c2c1 207a_100102946423_100000059205 [0,0,1,0,0,0|0,0,2]=3 823 B18R2.78677 CCC(CC)CNCc1ccc2nc[nH]c2c1 270004a_100102946423_100000059205 [0,0,1,0,0,0|0,0,2]=3 824 B18R2.78677 CCC(CC)CNCc1ccc2ncoc2c1 207a_100102946423_100000059852 [0,0,1,0,0,0|1,0,2]=4 825 B18R2.78677 CCC(CC)CNCc1ccc2ncoc2c1 2230a_100102946423_106359897996 [0,0,1,0,0,0|1,0,2]=4 826 B18R2.78677 CCC(CC)CNCc1ccc2ncoc2c1 270004a_100102946423_100000059852 [0,0,1,0,0,0|1,0,2]=4 827 B18R2.78677 CCC(CC)CNCc1ccc2ncsc2c1 207a_100102946423_100009861089 [0,0,1,0,0,0|1,0,2]=4 828 B18R2.78677 CCC(CC)CNCc1ccc2ncsc2c1 2230a_100102946423_100009847474 [0,0,1,0,0,0|1,0,2]=4 829 B18R2.78677 CCC(CC)CNCc1ccc2ncsc2c1 270004a_100102946423_100009861089 [0,0,1,0,0,0|1,0,2]=4 830 B18R2.78677 CCC(CNCc1ccc2cc[nH]c2c1)OC 207a_100000731041_100011218920 [0,0,1,0,0,0|2,0,1]=4 831 B18R2.78677 CCC(CNCc1ccc2cc[nH]c2c1)OC 270004a_100000731041_100011218920 [0,0,1,0,0,0|2,0,1]=4 832 B18R2.78677 CCC(CNCc1ccc2nc[nH]c2c1)OC 207a_100000731041_100000059205 [0,0,1,0,0,0|1,0,1]=3 833 B18R2.78677 CCC(CNCc1ccc2nc[nH]c2c1)OC 270004a_100000731041_100000059205 [0,0,1,0,0,0|1,0,1]=3 834 B18R2.78677 CCC(CNCc1ccc2ncoc2c1)OC 207a_100000731041_100000059852 [0,0,1,0,0,0|2,0,1]=4 835 B18R2.78677 CCC(CNCc1ccc2ncoc2c1)OC 270004a_100000731041_100000059852 [0,0,1,0,0,0|2,0,1]=4 836 B18R2.78677 CCC(CNCc1ccc2ncsc2c1)OC 207a_100000731041_100009861089 [0,0,1,0,0,0|2,0,1]=4 837 B18R2.78677 CCC(CNCc1ccc2ncsc2c1)OC 270004a_100000731041_100009861089 [0,0,1,0,0,0|2,0,1]=4 838 B18R2.78677 COC(CNCc1ccc2nc[nH]c2c1)OC 207a_100000210479_100000059205 [0,0,1,0,0,0|2,0,1]=4 839 B18R2.78677 COC(CNCc1ccc2nc[nH]c2c1)OC 270004a_100000210479_100000059205 [0,0,1,0,0,0|2,0,1]=4 840 B20R4.1724603 c1cc2ccc(cc2[nH]1)CNC3C4C3COC4 207a_100000702821_100011218920 [0,0,0,1,0,0|2,0,1]=4 841 B20R4.1724603 c1cc2ccc(cc2[nH]1)CNC3C4C3COC4 270004a_100000702821_100011218920 [0,0,0,1,0,0|2,0,1]=4 842 B20R4.1724603 c1nc2ccc(cc2[nH]1)CNC3C4C3COC4 207a_100000702821_100000059205 [0,0,0,1,0,0|1,0,1]=3 843 B20R4.1724603 c1nc2ccc(cc2[nH]1)CNC3C4C3COC4 270004a_100000702821_100000059205 [0,0,0,1,0,0|1,0,1]=3 844 B20R4.1724603 c1nc2ccc(cc2o1)CNC3C4C3COC4 207a_100000702821_100000059852 [0,0,0,1,0,0|2,0,1]=4 845 B20R4.1724603 c1nc2ccc(cc2o1)CNC3C4C3COC4 2230a_100000702821_106359897996 [0,0,0,1,0,0|2,0,1]=4 846 B20R4.1724603 c1nc2ccc(cc2o1)CNC3C4C3COC4 270004a_100000702821_100000059852 [0,0,0,1,0,0|2,0,1]=4 847 B20R4.1724603 c1nc2ccc(cc2o1)CNC3C4C3COC4 34a_100000702821_106359897996 [0,0,0,1,0,0|2,0,1]=4 848 B20R4.1724603 c1nc2ccc(cc2s1)CNC3C4C3COC4 207a_100000702821_100009861089 [0,0,0,1,0,0|2,0,1]=4 849 B20R4.1724603 c1nc2ccc(cc2s1)CNC3C4C3COC4 2230a_100000702821_100009847474 [0,0,0,1,0,0|2,0,1]=4 850 B20R4.1724603 c1nc2ccc(cc2s1)CNC3C4C3COC4 270004a_100000702821_100009861089 [0,0,0,1,0,0|2,0,1]=4 851 B20R4.1724603 c1nc2ccc(cc2s1)CNC3C4C3COC4 34a_100000702821_100009847474 [0,0,0,1,0,0|2,0,1]=4 852 B20R4.7725578 C1=CC2CC1CN2Cc3cc4cc[nH]c4cn3 270004a_100000732668_100000099776 [0,0,0,1,0,0|2,0,1]=4 853 B20R4.7725578 C1=CC2CC1CN2Cc3cc4ccoc4cn3 270004a_100000732668_100000059709 [0,0,0,1,0,0|3,0,0]=4 854 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4[nH]ccc4c3 270004a_100000732668_100011197475 [0,0,0,1,0,0|1,0,1]=3 855 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4[nH]ncc4c3 26a_100000732668_100000066706 [0,0,0,1,0,0|2,0,1]=4 856 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4c(c3)CCC4 26a_100000732668_100000209987 [0,0,0,1,0,0|2,0,1]=4 857 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4c(c3)CCC4 270004a_100000732668_100000765347 [0,0,0,1,0,0|2,0,1]=4 858 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4c(c3)CCO4 270004a_100000732668_100011218456 [0,0,0,1,0,0|2,0,1]=4 859 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4c(c3)OCO4 269982a_100000732668_100000189651 [0,0,0,1,0,0|2,0,1]=4 860 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4c(c3)OCO4 34a_100000732668_100000189651 [0,0,0,1,0,0|2,0,1]=4 861 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4cc[nH]c4c3 270004a_100000732668_100011218920 [0,0,0,1,0,0|1,0,0]=2 862 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4cc[nH]c4n3 270004a_100000732668_100000089654 [0,0,0,1,0,0|2,0,0]=3 863 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ccsc4c3 270004a_100000732668_100000112508 [0,0,0,1,0,0|2,0,0]=3 864 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4cn[nH]c4c3 2230a_100000732668_100020605281 [0,0,0,1,0,0|2,0,0]=3 865 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4cn[nH]c4c3 269982a_100000732668_100020605281 [0,0,0,1,0,0|2,0,0]=3 866 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4cn[nH]c4c3 26a_100000732668_100000061304 [0,0,0,1,0,0|2,0,0]=3 867 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4cn[nH]c4c3 270004a_100000732668_100137314666 [0,0,0,1,0,0|2,0,0]=3 868 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4cn[nH]c4c3 34a_100000732668_100020605281 [0,0,0,1,0,0|2,0,0]=3 869 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4cnoc4c3 26a_100000732668_100000098417 [0,0,0,1,0,0|3,0,0]=4 870 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4n[nH]cc4c3 270004a_100000732668_100000068381 [0,0,0,1,0,0|2,0,0]=3 871 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4nc[nH]c4c3 270004a_100000732668_100000059205 [0,0,0,1,0,0|0,0,0]=1 872 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4nccn4c3 270004a_100000732668_100000059712 [0,0,0,1,0,0|2,0,0]=3 873 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ncnn4c3 270004a_100000732668_100000102685 [0,0,0,1,0,0|1,0,1]=3 874 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ncoc4c3 2230a_100000732668_106359897996 [0,0,0,1,0,0|1,0,0]=2 875 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ncoc4c3 270004a_100000732668_100000059852 [0,0,0,1,0,0|1,0,0]=2 876 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ncoc4c3 34a_100000732668_106359897996 [0,0,0,1,0,0|1,0,0]=2 877 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ncsc4c3 2230a_100000732668_100009847474 [0,0,0,1,0,0|1,0,0]=2 878 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ncsc4c3 269982a_100000732668_100009847474 [0,0,0,1,0,0|1,0,0]=2 879 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ncsc4c3 270004a_100000732668_100009861089 [0,0,0,1,0,0|1,0,0]=2 880 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ncsc4c3 34a_100000732668_100009847474 [0,0,0,1,0,0|1,0,0]=2 881 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4nonc4c3 2230a_100000732668_100000733437 [0,0,0,1,0,0|1,0,1]=3 882 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4nonc4c3 269982a_100000732668_100000733437 [0,0,0,1,0,0|1,0,1]=3 883 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4nonc4c3 270004a_100000732668_100000042170 [0,0,0,1,0,0|1,0,1]=3 884 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4nonc4c3 34a_100000732668_100000733437 [0,0,0,1,0,0|1,0,1]=3 885 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4nsnc4c3 2230a_100000732668_100000187484 [0,0,0,1,0,0|1,0,1]=3 886 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4nsnc4c3 269982a_100000732668_100000187484 [0,0,0,1,0,0|1,0,1]=3 887 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4nsnc4c3 270004a_100000732668_100000042169 [0,0,0,1,0,0|1,0,1]=3 888 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4nsnc4c3 34a_100000732668_100000187484 [0,0,0,1,0,0|1,0,1]=3 889 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4occc4c3 26a_100000732668_100000070125 [0,0,0,1,0,0|2,0,0]=3 890 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4occc4c3 270004a_100000732668_100000040644 [0,0,0,1,0,0|2,0,0]=3 891 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ocnc4c3 2230a_100000732668_200010203175 [0,0,0,1,0,0|1,0,1]=3 892 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ocnc4c3 270004a_100000732668_100010271902 [0,0,0,1,0,0|1,0,1]=3 893 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4ocnc4c3 34a_100000732668_200010203175 [0,0,0,1,0,0|1,0,1]=3 894 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4sccc4c3 270004a_100000732668_100000050658 [0,0,0,1,0,0|2,0,0]=3 895 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4scnc4c3 270004a_100000732668_100000718305 [0,0,0,1,0,0|1,0,1]=3 896 B20R4.7725578 C1=CC2CC1CN2Cc3ccc4snnc4c3 270004a_100000732668_100000069034 [0,0,0,1,0,0|2,0,1]=4 897 B20R4.7725578 C1=CC2CC1CN2Cc3ccn4nccc4c3 270004a_100000732668_100009861398 [0,0,0,1,0,0|2,0,0]=3 898 B20R4.7725578 C1=CC2CC1CN2Cc3cnc4[nH]ccc4c3 270004a_100000732668_100000050907 [0,0,0,1,0,0|2,0,1]=4 899 B20R4.7725578 C1=CC2CC1CN2Cc3cnc4cc[nH]c4c3 270004a_100000732668_100000094745 [0,0,0,1,0,0|2,0,0]=3 900 B20R4.7725578 c1cc2ccc(cc2[nH]1)CN3CC4CCC3C4 270004a_100000743476_100011218920 [0,0,0,1,0,0|1,0,2]=4 901 B20R4.7725578 c1cc2ccc(cc2[nH]1)CN3C[C@H]4C[C@@H]3CO4 270004a_100016995552_100011218920 [0,0,0,1,0,0|2,0,1]=4 902 B20R4.7725578 c1nc2ccc(cc2[nH]1)CN3CC4CCC3C4 270004a_100000743476_100000059205 [0,0,0,1,0,0|0,0,2]=3 903 B20R4.7725578 c1nc2ccc(cc2[nH]1)CN3C[C@H]4C[C@@H]3CO4 270004a_100016995552_100000059205 [0,0,0,1,0,0|1,0,1]=3 904 B20R4.7725578 c1nc2ccc(cc2o1)CN3CC4CCC3C4 2230a_100000743476_106359897996 [0,0,0,1,0,0|1,0,2]=4 905 B20R4.7725578 c1nc2ccc(cc2o1)CN3CC4CCC3C4 270004a_100000743476_100000059852 [0,0,0,1,0,0|1,0,2]=4 906 B20R4.7725578 c1nc2ccc(cc2o1)CN3CC4CCC3C4 34a_100000743476_106359897996 [0,0,0,1,0,0|1,0,2]=4 907 B20R4.7725578 c1nc2ccc(cc2o1)CN3C[C@H]4C[C@@H]3CO4 2230a_100016995552_106359897996 [0,0,0,1,0,0|2,0,1]=4 908 B20R4.7725578 c1nc2ccc(cc2o1)CN3C[C@H]4C[C@@H]3CO4 270004a_100016995552_100000059852 [0,0,0,1,0,0|2,0,1]=4 909 B20R4.7725578 c1nc2ccc(cc2o1)CN3C[C@H]4C[C@@H]3CO4 34a_100016995552_106359897996 [0,0,0,1,0,0|2,0,1]=4 910 B20R4.7725578 c1nc2ccc(cc2s1)CN3CC4CCC3C4 2230a_100000743476_100009847474 [0,0,0,1,0,0|1,0,2]=4 911 B20R4.7725578 c1nc2ccc(cc2s1)CN3CC4CCC3C4 269982a_100000743476_100009847474 [0,0,0,1,0,0|1,0,2]=4 912 B20R4.7725578 c1nc2ccc(cc2s1)CN3CC4CCC3C4 270004a_100000743476_100009861089 [0,0,0,1,0,0|1,0,2]=4 913 B20R4.7725578 c1nc2ccc(cc2s1)CN3CC4CCC3C4 34a_100000743476_100009847474 [0,0,0,1,0,0|1,0,2]=4 914 B20R4.7725578 c1nc2ccc(cc2s1)CN3C[C@H]4C[C@@H]3CO4 2230a_100016995552_100009847474 [0,0,0,1,0,0|2,0,1]=4 915 B20R4.7725578 c1nc2ccc(cc2s1)CN3C[C@H]4C[C@@H]3CO4 269982a_100016995552_100009847474 [0,0,0,1,0,0|2,0,1]=4 916 B20R4.7725578 c1nc2ccc(cc2s1)CN3C[C@H]4C[C@@H]3CO4 270004a_100016995552_100009861089 [0,0,0,1,0,0|2,0,1]=4 917 B20R4.7725578 c1nc2ccc(cc2s1)CN3C[C@H]4C[C@@H]3CO4 34a_100016995552_100009847474 [0,0,0,1,0,0|2,0,1]=4 918 B18R3.10440 c1cc2cc(ccc2[nH]1)CNCC3CCC3 207a_100000738700_100011197475 [0,0,0,0,1,0|1,0,2]=4 919 B18R3.10440 c1cc2cc(ccc2[nH]1)CNCC3CCC3 269862a_100011837653_100000753134 [0,0,0,0,1,0|1,0,2]=4 920 B18R3.10440 c1cc2cc(ccc2[nH]1)CNCC3CCC3 270004a_100000738700_100011197475 [0,0,0,0,1,0|1,0,2]=4 921 B18R3.10440 c1cc2cc(ccc2[nH]1)CNC[C@@H]3CCO3 207a_100020831831_100011197475 [0,0,0,0,1,0|2,0,1]=4 922 B18R3.10440 c1cc2cc(ccc2[nH]1)CNC[C@@H]3CCO3 270004a_100020831831_100011197475 [0,0,0,0,1,0|2,0,1]=4 923 B18R3.10440 c1cc2cc(ccc2o1)CNCC3CCC3 207a_100000738700_100000040644 [0,0,0,0,1,0|2,0,1]=4 924 B18R3.10440 c1cc2cc(ccc2o1)CNCC3CCC3 2230a_100020591328_100000763275 [0,0,0,0,1,0|2,0,1]=4 925 B18R3.10440 c1cc2cc(ccc2o1)CNCC3CCC3 269862a_100020591328_100000753134 [0,0,0,0,1,0|2,0,1]=4 926 B18R3.10440 c1cc2cc(ccc2o1)CNCC3CCC3 270004a_100000738700_100000040644 [0,0,0,0,1,0|2,0,1]=4 927 B18R3.10440 c1cc2cc(ccc2o1)CNCC3CCC3 34a_100020591328_100000763275 [0,0,0,0,1,0|2,0,1]=4 928 B18R3.10440 c1cc2cc(ccc2o1)CNCC3CCO3 2230a_100020591328_100000103362 [0,0,0,0,1,0|3,0,0]=4 929 B18R3.10440 c1cc2cc(ccc2o1)CNCC3CCO3 34a_100020591328_100000103362 [0,0,0,0,1,0|3,0,0]=4 930 B18R3.10440 c1cc2cc(ccc2o1)CNC[C@@H]3CCO3 207a_100020831831_100000040644 [0,0,0,0,1,0|3,0,0]=4 931 B18R3.10440 c1cc2cc(ccc2o1)CNC[C@@H]3CCO3 270004a_100020831831_100000040644 [0,0,0,0,1,0|3,0,0]=4 932 B18R3.10440 c1cc2cc(ccc2s1)CNCC3CCC3 207a_100000738700_100000050658 [0,0,0,0,1,0|2,0,1]=4 933 B18R3.10440 c1cc2cc(ccc2s1)CNCC3CCC3 2230a_100000732457_100000763275 [0,0,0,0,1,0|2,0,1]=4 934 B18R3.10440 c1cc2cc(ccc2s1)CNCC3CCC3 269862a_100000732457_100000753134 [0,0,0,0,1,0|2,0,1]=4 935 B18R3.10440 c1cc2cc(ccc2s1)CNCC3CCC3 270004a_100000738700_100000050658 [0,0,0,0,1,0|2,0,1]=4 936 B18R3.10440 c1cc2cc(ccc2s1)CNCC3CCC3 34a_100000732457_100000763275 [0,0,0,0,1,0|2,0,1]=4 937 B18R3.10440 c1cc2cc(ccc2s1)CNCC3CCO3 2230a_100000732457_100000103362 [0,0,0,0,1,0|3,0,0]=4 938 B18R3.10440 c1cc2cc(ccc2s1)CNCC3CCO3 34a_100000732457_100000103362 [0,0,0,0,1,0|3,0,0]=4 939 B18R3.10440 c1cc2cc(ccc2s1)CNC[C@@H]3CCO3 207a_100020831831_100000050658 [0,0,0,0,1,0|3,0,0]=4 940 B18R3.10440 c1cc2cc(ccc2s1)CNC[C@@H]3CCO3 270004a_100020831831_100000050658 [0,0,0,0,1,0|3,0,0]=4 941 B18R3.10440 c1cc2cc(ccn2n1)CNCC3CCC3 207a_100000738700_100009861398 [0,0,0,0,1,0|2,0,1]=4 942 B18R3.10440 c1cc2cc(ccn2n1)CNCC3CCC3 270004a_100000738700_100009861398 [0,0,0,0,1,0|2,0,1]=4 943 B18R3.10440 c1cc2cc(ccn2n1)CNC[C@@H]3CCO3 207a_100020831831_100009861398 [0,0,0,0,1,0|3,0,0]=4 944 B18R3.10440 c1cc2cc(ccn2n1)CNC[C@@H]3CCO3 270004a_100020831831_100009861398 [0,0,0,0,1,0|3,0,0]=4 945 B18R3.10440 c1cc2ccc(cc2[nH]1)CNCC3CCC3 207a_100000738700_100011218920 [0,0,0,0,1,0|1,0,1]=3 946 B18R3.10440 c1cc2ccc(cc2[nH]1)CNCC3CCC3 269862a_100011912548_100000753134 [0,0,0,0,1,0|1,0,1]=3 947 B18R3.10440 c1cc2ccc(cc2[nH]1)CNCC3CCC3 270004a_100000738700_100011218920 [0,0,0,0,1,0|1,0,1]=3 948 B18R3.10440 c1cc2ccc(cc2[nH]1)CNCC3COC3 207a_100015281925_100011218920 [0,0,0,0,1,0|2,0,1]=4 949 B18R3.10440 c1cc2ccc(cc2[nH]1)CNCC3COC3 270004a_100015281925_100011218920 [0,0,0,0,1,0|2,0,1]=4 950 B18R3.10440 c1cc2ccc(cc2[nH]1)CNC[C@@H]3CCO3 207a_100020831831_100011218920 [0,0,0,0,1,0|2,0,0]=3 951 B18R3.10440 c1cc2ccc(cc2[nH]1)CNC[C@@H]3CCO3 270004a_100020831831_100011218920 [0,0,0,0,1,0|2,0,0]=3 952 B18R3.10440 c1cc2ccc(cc2s1)CNCC3CCC3 207a_100000738700_100000112508 [0,0,0,0,1,0|2,0,1]=4 953 B18R3.10440 c1cc2ccc(cc2s1)CNCC3CCC3 270004a_100000738700_100000112508 [0,0,0,0,1,0|2,0,1]=4 954 B18R3.10440 c1cc2ccc(cc2s1)CNC[C@@H]3CCO3 207a_100020831831_100000112508 [0,0,0,0,1,0|3,0,0]=4 955 B18R3.10440 c1cc2ccc(cc2s1)CNC[C@@H]3CCO3 270004a_100020831831_100000112508 [0,0,0,0,1,0|3,0,0]=4 956 B18R3.10440 c1cc2ccc(nc2[nH]1)CNCC3CCC3 207a_100000738700_100000089654 [0,0,0,0,1,0|2,0,1]=4 957 B18R3.10440 c1cc2ccc(nc2[nH]1)CNCC3CCC3 270004a_100000738700_100000089654 [0,0,0,0,1,0|2,0,1]=4 958 B18R3.10440 c1cc2ccc(nc2[nH]1)CNC[C@@H]3CCO3 207a_100020831831_100000089654 [0,0,0,0,1,0|3,0,0]=4 959 B18R3.10440 c1cc2ccc(nc2[nH]1)CNC[C@@H]3CCO3 270004a_100020831831_100000089654 [0,0,0,0,1,0|3,0,0]=4 960 B18R3.10440 c1cc2cn[nH]c2cc1CNCC3CCC3 207a_100000738700_100137314666 [0,0,0,0,1,0|2,0,1]=4 961 B18R3.10440 c1cc2cn[nH]c2cc1CNCC3CCC3 2230a_100000738700_100020605281 [0,0,0,0,1,0|2,0,1]=4 962 B18R3.10440 c1cc2cn[nH]c2cc1CNCC3CCC3 269862a_100011769419_100000753134 [0,0,0,0,1,0|2,0,1]=4 963 B18R3.10440 c1cc2cn[nH]c2cc1CNCC3CCC3 270004a_100000738700_100137314666 [0,0,0,0,1,0|2,0,1]=4 964 B18R3.10440 c1cc2cn[nH]c2cc1CNCC3CCC3 34a_100000738700_100020605281 [0,0,0,0,1,0|2,0,1]=4 965 B18R3.10440 c1cc2cn[nH]c2cc1CNC[C@@H]3CCO3 207a_100020831831_100137314666 [0,0,0,0,1,0|3,0,0]=4 966 B18R3.10440 c1cc2cn[nH]c2cc1CNC[C@@H]3CCO3 2230a_100020831831_100020605281 [0,0,0,0,1,0|3,0,0]=4 967 B18R3.10440 c1cc2cn[nH]c2cc1CNC[C@@H]3CCO3 270004a_100020831831_100137314666 [0,0,0,0,1,0|3,0,0]=4 968 B18R3.10440 c1cc2cn[nH]c2cc1CNC[C@@H]3CCO3 34a_100020831831_100020605281 [0,0,0,0,1,0|3,0,0]=4 969 B18R3.10440 c1cc2n[nH]cc2cc1CNCC3CCC3 207a_100000738700_100000068381 [0,0,0,0,1,0|2,0,1]=4 970 B18R3.10440 c1cc2n[nH]cc2cc1CNCC3CCC3 270004a_100000738700_100000068381 [0,0,0,0,1,0|2,0,1]=4 971 B18R3.10440 c1cc2n[nH]cc2cc1CNC[C@@H]3CCO3 207a_100020831831_100000068381 [0,0,0,0,1,0|3,0,0]=4 972 B18R3.10440 c1cc2n[nH]cc2cc1CNC[C@@H]3CCO3 270004a_100020831831_100000068381 [0,0,0,0,1,0|3,0,0]=4 973 B18R3.10440 c1cc2ncc(cc2[nH]1)CNCC3CCC3 207a_100000738700_100000094745 [0,0,0,0,1,0|2,0,1]=4 974 B18R3.10440 c1cc2ncc(cc2[nH]1)CNCC3CCC3 270004a_100000738700_100000094745 [0,0,0,0,1,0|2,0,1]=4 975 B18R3.10440 c1cc2ncc(cc2[nH]1)CNC[C@@H]3CCO3 207a_100020831831_100000094745 [0,0,0,0,1,0|3,0,0]=4 976 B18R3.10440 c1cc2ncc(cc2[nH]1)CNC[C@@H]3CCO3 270004a_100020831831_100000094745 [0,0,0,0,1,0|3,0,0]=4 977 B18R3.10440 c1cc2nonc2cc1CNCC3CCC3 2230a_100000738700_100000733437 [0,0,0,0,1,0|1,0,2]=4 978 B18R3.10440 c1cc2nonc2cc1CNCC3CCC3 269862a_100015186617_100000753134 [0,0,0,0,1,0|1,0,2]=4 979 B18R3.10440 c1cc2nonc2cc1CNCC3CCC3 270004a_100000738700_100000042170 [0,0,0,0,1,0|1,0,2]=4 980 B18R3.10440 c1cc2nonc2cc1CNCC3CCC3 34a_100000738700_100000733437 [0,0,0,0,1,0|1,0,2]=4 981 B18R3.10440 c1cc2nonc2cc1CNC[C@@H]3CCO3 2230a_100020831831_100000733437 [0,0,0,0,1,0|2,0,1]=4 982 B18R3.10440 c1cc2nonc2cc1CNC[C@@H]3CCO3 270004a_100020831831_100000042170 [0,0,0,0,1,0|2,0,1]=4 983 B18R3.10440 c1cc2nonc2cc1CNC[C@@H]3CCO3 34a_100020831831_100000733437 [0,0,0,0,1,0|2,0,1]=4 984 B18R3.10440 c1cc2nsnc2cc1CNCC3CCC3 207a_100000738700_100000042169 [0,0,0,0,1,0|1,0,2]=4 985 B18R3.10440 c1cc2nsnc2cc1CNCC3CCC3 2230a_100000738700_100000187484 [0,0,0,0,1,0|1,0,2]=4 986 B18R3.10440 c1cc2nsnc2cc1CNCC3CCC3 269862a_200020606664_100000753134 [0,0,0,0,1,0|1,0,2]=4 987 B18R3.10440 c1cc2nsnc2cc1CNCC3CCC3 270004a_100000738700_100000042169 [0,0,0,0,1,0|1,0,2]=4 988 B18R3.10440 c1cc2nsnc2cc1CNCC3CCC3 34a_100000738700_100000187484 [0,0,0,0,1,0|1,0,2]=4 989 B18R3.10440 c1cc2nsnc2cc1CNC[C@@H]3CCO3 207a_100020831831_100000042169 [0,0,0,0,1,0|2,0,1]=4 990 B18R3.10440 c1cc2nsnc2cc1CNC[C@@H]3CCO3 2230a_100020831831_100000187484 [0,0,0,0,1,0|2,0,1]=4 991 B18R3.10440 c1cc2nsnc2cc1CNC[C@@H]3CCO3 270004a_100020831831_100000042169 [0,0,0,0,1,0|2,0,1]=4 992 B18R3.10440 c1cc2nsnc2cc1CNC[C@@H]3CCO3 34a_100020831831_100000187484 [0,0,0,0,1,0|2,0,1]=4 993 B18R3.10440 c1cn2cc(ccc2n1)CNCC3CCC3 207a_100000738700_100000059712 [0,0,0,0,1,0|2,0,1]=4 994 B18R3.10440 c1cn2cc(ccc2n1)CNCC3CCC3 270004a_100000738700_100000059712 [0,0,0,0,1,0|2,0,1]=4 995 B18R3.10440 c1cn2cc(ccc2n1)CNC[C@@H]3CCO3 207a_100020831831_100000059712 [0,0,0,0,1,0|3,0,0]=4 996 B18R3.10440 c1cn2cc(ccc2n1)CNC[C@@H]3CCO3 270004a_100020831831_100000059712 [0,0,0,0,1,0|3,0,0]=4 997 B18R3.10440 c1nc2cc(ccc2o1)CNCC3CCC3 207a_100000738700_100010271902 [0,0,0,0,1,0|1,0,2]=4 998 B18R3.10440 c1nc2cc(ccc2o1)CNCC3CCC3 2230a_100000738700_200010203175 [0,0,0,0,1,0|1,0,2]=4 999 B18R3.10440 c1nc2cc(ccc2o1)CNCC3CCC3 270004a_100000738700_100010271902 [0,0,0,0,1,0|1,0,2]=4 1000 B18R3.10440 c1nc2cc(ccc2o1)CNCC3CCC3 34a_100000738700_200010203175 [0,0,0,0,1,0|1,0,2]=4 1001 B18R3.10440 c1nc2cc(ccc2o1)CNC[C@@H]3CCO3 207a_100020831831_100010271902 [0,0,0,0,1,0|2,0,1]=4 1002 B18R3.10440 c1nc2cc(ccc2o1)CNC[C@@H]3CCO3 2230a_100020831831_200010203175 [0,0,0,0,1,0|2,0,1]=4 1003 B18R3.10440 c1nc2cc(ccc2o1)CNC[C@@H]3CCO3 270004a_100020831831_100010271902 [0,0,0,0,1,0|2,0,1]=4 1004 B18R3.10440 c1nc2cc(ccc2o1)CNC[C@@H]3CCO3 34a_100020831831_200010203175 [0,0,0,0,1,0|2,0,1]=4 1005 B18R3.10440 c1nc2cc(ccc2s1)CNCC3CCC3 207a_100000738700_100000718305 [0,0,0,0,1,0|1,0,2]=4 1006 B18R3.10440 c1nc2cc(ccc2s1)CNCC3CCC3 270004a_100000738700_100000718305 [0,0,0,0,1,0|1,0,2]=4 1007 B18R3.10440 c1nc2cc(ccc2s1)CNC[C@@H]3CCO3 207a_100020831831_100000718305 [0,0,0,0,1,0|2,0,1]=4 1008 B18R3.10440 c1nc2cc(ccc2s1)CNC[C@@H]3CCO3 270004a_100020831831_100000718305 [0,0,0,0,1,0|2,0,1]=4 1009 B18R3.10440 c1nc2ccc(cc2[nH]1)CNCC3CCC3 207a_100000738700_100000059205 [0,0,0,0,1,0|0,0,1]=2 1010 B18R3.10440 c1nc2ccc(cc2[nH]1)CNCC3CCC3 270004a_100000738700_100000059205 [0,0,0,0,1,0|0,0,1]=2 1011 B18R3.10440 c1nc2ccc(cc2[nH]1)CNCC3COC3 207a_100015281925_100000059205 [0,0,0,0,1,0|1,0,1]=3 1012 B18R3.10440 c1nc2ccc(cc2[nH]1)CNCC3COC3 270004a_100015281925_100000059205 [0,0,0,0,1,0|1,0,1]=3 1013 B18R3.10440 c1nc2ccc(cc2[nH]1)CNC[C@@H]3CCO3 207a_100020831831_100000059205 [0,0,0,0,1,0|1,0,0]=2 1014 B18R3.10440 c1nc2ccc(cc2[nH]1)CNC[C@@H]3CCO3 270004a_100020831831_100000059205 [0,0,0,0,1,0|1,0,0]=2 1015 B18R3.10440 c1nc2ccc(cc2o1)CNCC3CCC3 207a_100000738700_100000059852 [0,0,0,0,1,0|1,0,1]=3 1016 B18R3.10440 c1nc2ccc(cc2o1)CNCC3CCC3 2230a_100000738700_106359897996 [0,0,0,0,1,0|1,0,1]=3 1017 B18R3.10440 c1nc2ccc(cc2o1)CNCC3CCC3 270004a_100000738700_100000059852 [0,0,0,0,1,0|1,0,1]=3 1018 B18R3.10440 c1nc2ccc(cc2o1)CNCC3CCC3 34a_100000738700_106359897996 [0,0,0,0,1,0|1,0,1]=3 1019 B18R3.10440 c1nc2ccc(cc2o1)CNCC3COC3 207a_100015281925_100000059852 [0,0,0,0,1,0|2,0,1]=4 1020 B18R3.10440 c1nc2ccc(cc2o1)CNCC3COC3 2230a_100015281925_106359897996 [0,0,0,0,1,0|2,0,1]=4 1021 B18R3.10440 c1nc2ccc(cc2o1)CNCC3COC3 270004a_100015281925_100000059852 [0,0,0,0,1,0|2,0,1]=4 1022 B18R3.10440 c1nc2ccc(cc2o1)CNCC3COC3 34a_100015281925_106359897996 [0,0,0,0,1,0|2,0,1]=4 1023 B18R3.10440 c1nc2ccc(cc2o1)CNC[C@@H]3CCO3 207a_100020831831_100000059852 [0,0,0,0,1,0|2,0,0]=3 1024 B18R3.10440 c1nc2ccc(cc2o1)CNC[C@@H]3CCO3 2230a_100020831831_106359897996 [0,0,0,0,1,0|2,0,0]=3 1025 B18R3.10440 c1nc2ccc(cc2o1)CNC[C@@H]3CCO3 270004a_100020831831_100000059852 [0,0,0,0,1,0|2,0,0]=3 1026 B18R3.10440 c1nc2ccc(cc2o1)CNC[C@@H]3CCO3 34a_100020831831_106359897996 [0,0,0,0,1,0|2,0,0]=3 1027 B18R3.10440 c1nc2ccc(cc2o1)COCC3CCC3 34a_100000760304_106359897996 [0,0,0,0,1,0|2,0,1]=4 1028 B18R3.10440 c1nc2ccc(cc2o1)COCC3CCO3 34a_100000039022_106359897996 [0,0,0,0,1,0|3,0,0]=4 1029 B18R3.10440 c1nc2ccc(cc2o1)CSCC3CCC3 62a_100000763275_106359897996 [0,0,0,0,1,0|2,0,1]=4 1030 B18R3.10440 c1nc2ccc(cc2o1)CSCC3CCC3 62a_106359897996_100000763275 [0,0,0,0,1,0|2,0,1]=4 1031 B18R3.10440 c1nc2ccc(cc2o1)CSCC3CCO3 62a_100000103362_106359897996 [0,0,0,0,1,0|3,0,0]=4 1032 B18R3.10440 c1nc2ccc(cc2o1)CSCC3CCO3 62a_106359897996_100000103362 [0,0,0,0,1,0|3,0,0]=4 1033 B18R3.10440 c1nc2ccc(cc2s1)CNCC3CCC3 207a_100000738700_100009861089 [0,0,0,0,1,0|1,0,1]=3 1034 B18R3.10440 c1nc2ccc(cc2s1)CNCC3CCC3 2230a_100000738700_100009847474 [0,0,0,0,1,0|1,0,1]=3 1035 B18R3.10440 c1nc2ccc(cc2s1)CNCC3CCC3 270004a_100000738700_100009861089 [0,0,0,0,1,0|1,0,1]=3 1036 B18R3.10440 c1nc2ccc(cc2s1)CNCC3CCC3 34a_100000738700_100009847474 [0,0,0,0,1,0|1,0,1]=3 1037 B18R3.10440 c1nc2ccc(cc2s1)CNCC3COC3 207a_100015281925_100009861089 [0,0,0,0,1,0|2,0,1]=4 1038 B18R3.10440 c1nc2ccc(cc2s1)CNCC3COC3 2230a_100015281925_100009847474 [0,0,0,0,1,0|2,0,1]=4 1039 B18R3.10440 c1nc2ccc(cc2s1)CNCC3COC3 270004a_100015281925_100009861089 [0,0,0,0,1,0|2,0,1]=4 1040 B18R3.10440 c1nc2ccc(cc2s1)CNCC3COC3 34a_100015281925_100009847474 [0,0,0,0,1,0|2,0,1]=4 1041 B18R3.10440 c1nc2ccc(cc2s1)CNC[C@@H]3CCO3 207a_100020831831_100009861089 [0,0,0,0,1,0|2,0,0]=3 1042 B18R3.10440 c1nc2ccc(cc2s1)CNC[C@@H]3CCO3 2230a_100020831831_100009847474 [0,0,0,0,1,0|2,0,0]=3 1043 B18R3.10440 c1nc2ccc(cc2s1)CNC[C@@H]3CCO3 270004a_100020831831_100009861089 [0,0,0,0,1,0|2,0,0]=3 1044 B18R3.10440 c1nc2ccc(cc2s1)CNC[C@@H]3CCO3 34a_100020831831_100009847474 [0,0,0,0,1,0|2,0,0]=3 1045 B18R3.10440 c1nc2ccc(cc2s1)COCC3CCC3 34a_100000760304_100009847474 [0,0,0,0,1,0|2,0,1]=4 1046 B18R3.10440 c1nc2ccc(cc2s1)COCC3CCO3 34a_100000039022_100009847474 [0,0,0,0,1,0|3,0,0]=4 1047 B18R3.10440 c1nc2ccc(cc2s1)CSCC3CCC3 62a_100000763275_100009847474 [0,0,0,0,1,0|2,0,1]=4 1048 B18R3.10440 c1nc2ccc(cc2s1)CSCC3CCC3 62a_100009847474_100000763275 [0,0,0,0,1,0|2,0,1]=4 1049 B18R3.10440 c1nc2ccc(cc2s1)CSCC3CCO3 62a_100000103362_100009847474 [0,0,0,0,1,0|3,0,0]=4 1050 B18R3.10440 c1nc2ccc(cc2s1)CSCC3CCO3 62a_100009847474_100000103362 [0,0,0,0,1,0|3,0,0]=4 1051 B18R3.10440 c1nc2ccc(cn2n1)CNCC3CCC3 207a_100000738700_100000102685 [0,0,0,0,1,0|1,0,2]=4 1052 B18R3.10440 c1nc2ccc(cn2n1)CNCC3CCC3 270004a_100000738700_100000102685 [0,0,0,0,1,0|1,0,2]=4 1053 B18R3.10440 c1nc2ccc(cn2n1)CNC[C@@H]3CCO3 207a_100020831831_100000102685 [0,0,0,0,1,0|2,0,1]=4 1054 B18R3.10440 c1nc2ccc(cn2n1)CNC[C@@H]3CCO3 270004a_100020831831_100000102685 [0,0,0,0,1,0|2,0,1]=4 1055 B18R3.36602 C1=CCC(C1)NCc2ccc3cc[nH]c3c2 207a_100015188752_100011218920 [0,0,0,0,1,0|1,0,2]=4 1056 B18R3.36602 C1=CCC(C1)NCc2ccc3cc[nH]c3c2 270004a_100015188752_100011218920 [0,0,0,0,1,0|1,0,2]=4 1057 B18R3.36602 C1=CCC(C1)NCc2ccc3nc[nH]c3c2 207a_100015188752_100000059205 [0,0,0,0,1,0|0,0,2]=3 1058 B18R3.36602 C1=CCC(C1)NCc2ccc3nc[nH]c3c2 270004a_100015188752_100000059205 [0,0,0,0,1,0|0,0,2]=3 1059 B18R3.36602 C1=CCC(C1)NCc2ccc3ncoc3c2 207a_100015188752_100000059852 [0,0,0,0,1,0|1,0,2]=4 1060 B18R3.36602 C1=CCC(C1)NCc2ccc3ncoc3c2 2230a_100015188752_106359897996 [0,0,0,0,1,0|1,0,2]=4 1061 B18R3.36602 C1=CCC(C1)NCc2ccc3ncoc3c2 270004a_100015188752_100000059852 [0,0,0,0,1,0|1,0,2]=4 1062 B18R3.36602 C1=CCC(C1)NCc2ccc3ncsc3c2 207a_100015188752_100009861089 [0,0,0,0,1,0|1,0,2]=4 1063 B18R3.36602 C1=CCC(C1)NCc2ccc3ncsc3c2 2230a_100015188752_100009847474 [0,0,0,0,1,0|1,0,2]=4 1064 B18R3.36602 C1=CCC(C1)NCc2ccc3ncsc3c2 270004a_100015188752_100009861089 [0,0,0,0,1,0|1,0,2]=4 1065 B18R3.36602 c1cc2ccc(cc2[nH]1)CNC3CCCC3 207a_100000211070_100011218920 [0,0,0,0,1,0|1,0,2]=4 1066 B18R3.36602 c1cc2ccc(cc2[nH]1)CNC3CCCC3 270004a_100000211070_100011218920 [0,0,0,0,1,0|1,0,2]=4 1067 B18R3.36602 c1cc2ccc(cc2[nH]1)CNC3CCCC3 270004a_100011912548_100000210133 [0,0,0,0,1,0|1,0,2]=4 1068 B18R3.36602 c1cc2ccc(cc2[nH]1)CNC3CCOC3 270004a_100011912548_100000752484 [0,0,0,0,1,0|2,0,1]=4 1069 B18R3.36602 c1cc2ccc(cc2[nH]1)CNC3CCSC3 270004a_100011912548_100000212027 [0,0,0,0,1,0|2,0,1]=4 1070 B18R3.36602 c1cc2ccc(cc2[nH]1)CN[C@@H]3CCOC3 207a_200015188469_100011218920 [0,0,0,0,1,0|2,0,1]=4 1071 B18R3.36602 c1cc2ccc(cc2[nH]1)CN[C@@H]3CCOC3 270004a_200015188469_100011218920 [0,0,0,0,1,0|2,0,1]=4 1072 B18R3.36602 c1cc2ccc(cc2[nH]1)CN[C@H]3CCOC3 207a_100015188467_100011218920 [0,0,0,0,1,0|2,0,1]=4 1073 B18R3.36602 c1cc2ccc(cc2[nH]1)CN[C@H]3CCOC3 270004a_100015188467_100011218920 [0,0,0,0,1,0|2,0,1]=4 1074 B18R3.36602 c1nc2ccc(cc2[nH]1)CNC3CCCC3 207a_100000211070_100000059205 [0,0,0,0,1,0|0,0,2]=3 1075 B18R3.36602 c1nc2ccc(cc2[nH]1)CNC3CCCC3 270004a_100000211070_100000059205 [0,0,0,0,1,0|0,0,2]=3 1076 B18R3.36602 c1nc2ccc(cc2[nH]1)CN[C@@H]3CCOC3 207a_200015188469_100000059205 [0,0,0,0,1,0|1,0,1]=3 1077 B18R3.36602 c1nc2ccc(cc2[nH]1)CN[C@@H]3CCOC3 270004a_200015188469_100000059205 [0,0,0,0,1,0|1,0,1]=3 1078 B18R3.36602 c1nc2ccc(cc2[nH]1)CN[C@H]3CCOC3 207a_100015188467_100000059205 [0,0,0,0,1,0|1,0,1]=3 1079 B18R3.36602 c1nc2ccc(cc2[nH]1)CN[C@H]3CCOC3 270004a_100015188467_100000059205 [0,0,0,0,1,0|1,0,1]=3 1080 B18R3.36602 c1nc2ccc(cc2o1)CNC3CCCC3 207a_100000211070_100000059852 [0,0,0,0,1,0|1,0,2]=4 1081 B18R3.36602 c1nc2ccc(cc2o1)CNC3CCCC3 2230a_100000211070_106359897996 [0,0,0,0,1,0|1,0,2]=4 1082 B18R3.36602 c1nc2ccc(cc2o1)CNC3CCCC3 270004a_100000211070_100000059852 [0,0,0,0,1,0|1,0,2]=4 1083 B18R3.36602 c1nc2ccc(cc2o1)CNC3CCCC3 34a_100000211070_106359897996 [0,0,0,0,1,0|1,0,2]=4 1084 B18R3.36602 c1nc2ccc(cc2o1)CN[C@@H]3CCOC3 207a_200015188469_100000059852 [0,0,0,0,1,0|2,0,1]=4 1085 B18R3.36602 c1nc2ccc(cc2o1)CN[C@@H]3CCOC3 2230a_200015188469_106359897996 [0,0,0,0,1,0|2,0,1]=4 1086 B18R3.36602 c1nc2ccc(cc2o1)CN[C@@H]3CCOC3 270004a_200015188469_100000059852 [0,0,0,0,1,0|2,0,1]=4 1087 B18R3.36602 c1nc2ccc(cc2o1)CN[C@H]3CCOC3 207a_100015188467_100000059852 [0,0,0,0,1,0|2,0,1]=4 1088 B18R3.36602 c1nc2ccc(cc2o1)CN[C@H]3CCOC3 2230a_100015188467_106359897996 [0,0,0,0,1,0|2,0,1]=4 1089 B18R3.36602 c1nc2ccc(cc2o1)CN[C@H]3CCOC3 270004a_100015188467_100000059852 [0,0,0,0,1,0|2,0,1]=4 1090 B18R3.36602 c1nc2ccc(cc2o1)CN[C@H]3CCOC3 34a_100015188467_106359897996 [0,0,0,0,1,0|2,0,1]=4 1091 B18R3.36602 c1nc2ccc(cc2o1)NCC3CCCC3 34a_100011248239_100000740388 [0,0,0,0,1,0|1,0,2]=4 1092 B18R3.36602 c1nc2ccc(cc2o1)NCC3CCOC3 34a_100011248239_100011261433 [0,0,0,0,1,0|2,0,1]=4 1093 B18R3.36602 c1nc2ccc(cc2s1)CNC3CCCC3 207a_100000211070_100009861089 [0,0,0,0,1,0|1,0,2]=4 1094 B18R3.36602 c1nc2ccc(cc2s1)CNC3CCCC3 2230a_100000211070_100009847474 [0,0,0,0,1,0|1,0,2]=4 1095 B18R3.36602 c1nc2ccc(cc2s1)CNC3CCCC3 270004a_100000211070_100009861089 [0,0,0,0,1,0|1,0,2]=4 1096 B18R3.36602 c1nc2ccc(cc2s1)CNC3CCCC3 34a_100000211070_100009847474 [0,0,0,0,1,0|1,0,2]=4 1097 B18R3.36602 c1nc2ccc(cc2s1)CN[C@@H]3CCOC3 207a_200015188469_100009861089 [0,0,0,0,1,0|2,0,1]=4 1098 B18R3.36602 c1nc2ccc(cc2s1)CN[C@@H]3CCOC3 2230a_200015188469_100009847474 [0,0,0,0,1,0|2,0,1]=4 1099 B18R3.36602 c1nc2ccc(cc2s1)CN[C@@H]3CCOC3 270004a_200015188469_100009861089 [0,0,0,0,1,0|2,0,1]=4 1100 B18R3.36602 c1nc2ccc(cc2s1)CN[C@H]3CCOC3 207a_100015188467_100009861089 [0,0,0,0,1,0|2,0,1]=4 1101 B18R3.36602 c1nc2ccc(cc2s1)CN[C@H]3CCOC3 2230a_100015188467_100009847474 [0,0,0,0,1,0|2,0,1]=4 1102 B18R3.36602 c1nc2ccc(cc2s1)CN[C@H]3CCOC3 270004a_100015188467_100009861089 [0,0,0,0,1,0|2,0,1]=4 1103 B18R3.36602 c1nc2ccc(cc2s1)CN[C@H]3CCOC3 34a_100015188467_100009847474 [0,0,0,0,1,0|2,0,1]=4 1104 B18R3.36602 c1nc2ccc(cc2s1)NCC3CCCC3 34a_100011215093_100000740388 [0,0,0,0,1,0|1,0,2]=4 1105 B18R3.36602 c1nc2ccc(cc2s1)NCC3CCOC3 34a_100011215093_100011261433 [0,0,0,0,1,0|2,0,1]=4 1106 B20R3.30073 c1cc2ccc(cc2[nH]1)CNCCC3CCCC3 207a_100000739158_100011218920 [0,0,0,0,0,1|1,0,2]=4 1107 B20R3.30073 c1cc2ccc(cc2[nH]1)CNCCC3CCCC3 270004a_100000739158_100011218920 [0,0,0,0,0,1|1,0,2]=4 1108 B20R3.30073 c1ccn(c1)CCNCc2ccc3nc[nH]c3c2 207a_100011368172_100000059205 [0,0,0,0,0,1|1,0,2]=4 1109 B20R3.30073 c1ccn(c1)CCNCc2ccc3nc[nH]c3c2 270004a_100011368172_100000059205 [0,0,0,0,0,1|1,0,2]=4 1110 B20R3.30073 c1cn(cn1)CCNCc2ccc3nc[nH]c3c2 207a_100000230061_100000059205 [0,0,0,0,0,1|2,0,1]=4 1111 B20R3.30073 c1cn(cn1)CCNCc2ccc3nc[nH]c3c2 270004a_100000230061_100000059205 [0,0,0,0,0,1|2,0,1]=4 1112 B20R3.30073 c1cnn(c1)CCNCc2ccc3nc[nH]c3c2 207a_100011200920_100000059205 [0,0,0,0,0,1|2,0,1]=4 1113 B20R3.30073 c1cnn(c1)CCNCc2ccc3nc[nH]c3c2 270004a_100011200920_100000059205 [0,0,0,0,0,1|2,0,1]=4 1114 B20R3.30073 c1coc(c1)CCNCc2ccc3nc[nH]c3c2 207a_100000694680_100000059205 [0,0,0,0,0,1|1,0,2]=4 1115 B20R3.30073 c1coc(c1)CCNCc2ccc3nc[nH]c3c2 270004a_100000694680_100000059205 [0,0,0,0,0,1|1,0,2]=4 1116 B20R3.30073 c1csc(c1)CCNCc2ccc3nc[nH]c3c2 207a_100000203755_100000059205 [0,0,0,0,0,1|1,0,2]=4 1117 B20R3.30073 c1csc(c1)CCNCc2ccc3nc[nH]c3c2 270004a_100000203755_100000059205 [0,0,0,0,0,1|1,0,2]=4 1118 B20R3.30073 c1nc2ccc(cc2[nH]1)CNCCC3CCCC3 207a_100000739158_100000059205 [0,0,0,0,0,1|0,0,2]=3 1119 B20R3.30073 c1nc2ccc(cc2[nH]1)CNCCC3CCCC3 270004a_100000739158_100000059205 [0,0,0,0,0,1|0,0,2]=3 1120 B20R3.30073 c1nc2ccc(cc2[nH]1)CNCCC3OCCO3 207a_100000034215_100000059205 [0,0,0,0,0,1|2,0,1]=4 1121 B20R3.30073 c1nc2ccc(cc2[nH]1)CNCCC3OCCO3 270004a_100000034215_100000059205 [0,0,0,0,0,1|2,0,1]=4 1122 B20R3.30073 c1nc2ccc(cc2[nH]1)CNCCN3CCCC3 207a_100000212299_100000059205 [0,0,0,0,0,1|1,0,2]=4 1123 B20R3.30073 c1nc2ccc(cc2[nH]1)CNCCN3CCCC3 270004a_100000212299_100000059205 [0,0,0,0,0,1|1,0,2]=4 1124 B20R3.30073 c1nc2ccc(cc2[nH]1)CNCCc3ccsc3 207a_100000692642_100000059205 [0,0,0,0,0,1|1,0,2]=4 1125 B20R3.30073 c1nc2ccc(cc2[nH]1)CNCCc3ccsc3 270004a_100000692642_100000059205 [0,0,0,0,0,1|1,0,2]=4 1126 B20R3.30073 c1nc2ccc(cc2o1)CNCCC3CCCC3 207a_100000739158_100000059852 [0,0,0,0,0,1|1,0,2]=4 1127 B20R3.30073 c1nc2ccc(cc2o1)CNCCC3CCCC3 2230a_100000739158_106359897996 [0,0,0,0,0,1|1,0,2]=4 1128 B20R3.30073 c1nc2ccc(cc2o1)CNCCC3CCCC3 270004a_100000739158_100000059852 [0,0,0,0,0,1|1,0,2]=4 1129 B20R3.30073 c1nc2ccc(cc2o1)CNCCC3CCCC3 34a_100000739158_106359897996 [0,0,0,0,0,1|1,0,2]=4 1130 B20R3.30073 c1nc2ccc(cc2s1)CNCCC3CCCC3 207a_100000739158_100009861089 [0,0,0,0,0,1|1,0,2]=4 1131 B20R3.30073 c1nc2ccc(cc2s1)CNCCC3CCCC3 2230a_100000739158_100009847474 [0,0,0,0,0,1|1,0,2]=4 1132 B20R3.30073 c1nc2ccc(cc2s1)CNCCC3CCCC3 270004a_100000739158_100009861089 [0,0,0,0,0,1|1,0,2]=4 1133 B20R3.30073 c1nc2ccc(cc2s1)CNCCC3CCCC3 34a_100000739158_100009847474 [0,0,0,0,0,1|1,0,2]=4 1134 B20R3.30162 C1=C(CSCC1)CNCc2ccc3cc[nH]c3c2 270004a_100011912548_100000707794 [0,0,0,0,0,1|1,0,2]=4 1135 B20R3.30162 C1=CCC(CC1)CNCc2ccc3[nH]ccc3c2 270004a_100011837653_100000189434 [0,0,0,0,0,1|1,0,1]=3 1136 B20R3.30162 C1=CCC(CC1)CNCc2ccc3[nH]ncc3c2 270004a_100016989852_100000189434 [0,0,0,0,0,1|2,0,1]=4 1137 B20R3.30162 C1=CCC(CC1)CNCc2ccc3c(c2)CCO3 270004a_100011219410_100000189434 [0,0,0,0,0,1|2,0,1]=4 1138 B20R3.30162 C1=CCC(CC1)CNCc2ccc3c(c2)OCO3 270004a_100000210006_100000189434 [0,0,0,0,0,1|2,0,1]=4 1139 B20R3.30162 C1=CCC(CC1)CNCc2ccc3cc[nH]c3c2 270004a_100011912548_100000189434 [0,0,0,0,0,1|1,0,0]=2 1140 B20R3.30162 C1=CCC(CC1)CNCc2ccc3cn[nH]c3c2 270004a_100011769419_100000189434 [0,0,0,0,0,1|2,0,0]=3 1141 B20R3.30162 C1=CCC(CC1)CNCc2ccc3nonc3c2 270004a_100015186617_100000189434 [0,0,0,0,0,1|1,0,1]=3 1142 B20R3.30162 C1=CCC(CC1)CNCc2ccc3occc3c2 270004a_100020591328_100000189434 [0,0,0,0,0,1|2,0,0]=3 1143 B20R3.30162 C1=CCC(CC1)CNCc2ccc3sccc3c2 270004a_100000732457_100000189434 [0,0,0,0,0,1|2,0,0]=3 1144 B20R3.30162 C1=CCC(CC1)CNCc2ccn3ccnc3c2 270004a_202515421060_100000189434 [0,0,0,0,0,1|2,0,1]=4 1145 B20R3.30162 C1=CCC(CC1)CNCc2cnc3[nH]ccc3c2 270004a_103496528114_100000189434 [0,0,0,0,0,1|2,0,1]=4 1146 B20R3.30162 C1=CCC(CC1)COCc2ccc3cn[nH]c3c2 34a_100000210713_100020605281 [0,0,0,0,0,1|3,0,0]=4 1147 B20R3.30162 C1=CCC(CC1)COCc2ccc3ncoc3c2 34a_100000210713_106359897996 [0,0,0,0,0,1|2,0,0]=3 1148 B20R3.30162 C1=CCC(CC1)COCc2ccc3ncsc3c2 34a_100000210713_100009847474 [0,0,0,0,0,1|2,0,0]=3 1149 B20R3.30162 C1=CCC(CC1)COCc2ccc3nonc3c2 34a_100000210713_100000733437 [0,0,0,0,0,1|2,0,1]=4 1150 B20R3.30162 C1=CCC(CC1)COCc2ccc3nsnc3c2 34a_100000210713_100000187484 [0,0,0,0,0,1|2,0,1]=4 1151 B20R3.30162 C1=CCC(CC1)COCc2ccc3ocnc3c2 34a_100000210713_200010203175 [0,0,0,0,0,1|2,0,1]=4 1152 B20R3.30162 C1=COC(CC1)COCc2ccc3cn[nH]c3c2 34a_100011217868_100020605281 [0,0,0,0,0,1|3,0,0]=4 1153 B20R3.30162 C1=COC(CC1)COCc2ccc3ncoc3c2 34a_100011217868_106359897996 [0,0,0,0,0,1|2,0,0]=3 1154 B20R3.30162 C1=COC(CC1)COCc2ccc3ncsc3c2 34a_100011217868_100009847474 [0,0,0,0,0,1|2,0,0]=3 1155 B20R3.30162 C1=COC(CC1)COCc2ccc3nonc3c2 34a_100011217868_100000733437 [0,0,0,0,0,1|2,0,1]=4 1156 B20R3.30162 C1=COC(CC1)COCc2ccc3nsnc3c2 34a_100011217868_100000187484 [0,0,0,0,0,1|2,0,1]=4 1157 B20R3.30162 C1=COC(CC1)COCc2ccc3ocnc3c2 34a_100011217868_200010203175 [0,0,0,0,0,1|2,0,1]=4 1158 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCCCC3 207a_100000210473_100011218920 [0,0,0,0,0,1|1,0,2]=4 1159 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCCCC3 269862a_100011912548_100000211278 [0,0,0,0,0,1|1,0,2]=4 1160 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCCCC3 270004a_100000210473_100011218920 [0,0,0,0,0,1|1,0,2]=4 1161 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCCCO3 207a_100000174945_100011218920 [0,0,0,0,0,1|1,0,2]=4 1162 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCCCO3 270004a_100000174945_100011218920 [0,0,0,0,0,1|1,0,2]=4 1163 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCCOC3 207a_100000720124_100011218920 [0,0,0,0,0,1|1,0,2]=4 1164 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCCOC3 270004a_100000720124_100011218920 [0,0,0,0,0,1|1,0,2]=4 1165 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCOCC3 207a_100000746373_100011218920 [0,0,0,0,0,1|1,0,2]=4 1166 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCOCC3 269862a_100011912548_100000749017 [0,0,0,0,0,1|1,0,2]=4 1167 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCOCC3 270004a_100000746373_100011218920 [0,0,0,0,0,1|1,0,2]=4 1168 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCSCC3 207a_100015188806_100011218920 [0,0,0,0,0,1|1,0,2]=4 1169 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCSCC3 269862a_100011912548_100000067145 [0,0,0,0,0,1|1,0,2]=4 1170 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCSCC3 270004a_100011912548_100000067145 [0,0,0,0,0,1|1,0,2]=4 1171 B20R3.30162 c1cc2ccc(cc2[nH]1)CNCC3CCSCC3 270004a_100015188806_100011218920 [0,0,0,0,0,1|1,0,2]=4 1172 B20R3.30162 c1cc2ccc(cc2[nH]1)CNC[C@H]3COCCO3 207a_100010981119_100011218920 [0,0,0,0,0,1|2,0,1]=4 1173 B20R3.30162 c1cc2ccc(cc2[nH]1)CNC[C@H]3COCCO3 270004a_100010981119_100011218920 [0,0,0,0,0,1|2,0,1]=4 1174 B20R3.30162 c1ccc(cc1)CNCc2ccc3nc[nH]c3c2 207a_100015324214_100000059205 [0,0,0,0,0,1|0,0,3]=4 1175 B20R3.30162 c1ccc(cc1)CNCc2ccc3nc[nH]c3c2 270004a_100015324214_100000059205 [0,0,0,0,0,1|0,0,3]=4 1176 B20R3.30162 c1ccc(nc1)CNCc2ccc3nc[nH]c3c2 270004a_100000210449_100000059205 [0,0,0,0,0,1|0,0,3]=4 1177 B20R3.30162 c1cncc(c1)CNCc2ccc3nc[nH]c3c2 207a_100000210453_100000059205 [0,0,0,0,0,1|0,0,3]=4 1178 B20R3.30162 c1cncc(c1)CNCc2ccc3nc[nH]c3c2 270004a_100000210453_100000059205 [0,0,0,0,0,1|0,0,3]=4 1179 B20R3.30162 c1nc2ccc(cc2[nH]1)CNCC3CCCCC3 207a_100000210473_100000059205 [0,0,0,0,0,1|0,0,2]=3 1180 B20R3.30162 c1nc2ccc(cc2[nH]1)CNCC3CCCCC3 270004a_100000210473_100000059205 [0,0,0,0,0,1|0,0,2]=3 1181 B20R3.30162 c1nc2ccc(cc2[nH]1)CNCC3CCCCO3 207a_100000174945_100000059205 [0,0,0,0,0,1|0,0,2]=3 1182 B20R3.30162 c1nc2ccc(cc2[nH]1)CNCC3CCCCO3 270004a_100000174945_100000059205 [0,0,0,0,0,1|0,0,2]=3 1183 B20R3.30162 c1nc2ccc(cc2[nH]1)CNCC3CCCOC3 207a_100000720124_100000059205 [0,0,0,0,0,1|0,0,2]=3 1184 B20R3.30162 c1nc2ccc(cc2[nH]1)CNCC3CCCOC3 270004a_100000720124_100000059205 [0,0,0,0,0,1|0,0,2]=3 1185 B20R3.30162 c1nc2ccc(cc2[nH]1)CNCC3CCOCC3 207a_100000746373_100000059205 [0,0,0,0,0,1|0,0,2]=3 1186 B20R3.30162 c1nc2ccc(cc2[nH]1)CNCC3CCOCC3 270004a_100000746373_100000059205 [0,0,0,0,0,1|0,0,2]=3 1187 B20R3.30162 c1nc2ccc(cc2[nH]1)CNCC3CCSCC3 207a_100015188806_100000059205 [0,0,0,0,0,1|0,0,2]=3 1188 B20R3.30162 c1nc2ccc(cc2[nH]1)CNCC3CCSCC3 270004a_100015188806_100000059205 [0,0,0,0,0,1|0,0,2]=3 1189 B20R3.30162 c1nc2ccc(cc2[nH]1)CNC[C@H]3COCCO3 207a_100010981119_100000059205 [0,0,0,0,0,1|1,0,1]=3 1190 B20R3.30162 c1nc2ccc(cc2[nH]1)CNC[C@H]3COCCO3 270004a_100010981119_100000059205 [0,0,0,0,0,1|1,0,1]=3 1191 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCCC3 207a_100000210473_100000059852 [0,0,0,0,0,1|1,0,2]=4 1192 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCCC3 2230a_100000210473_106359897996 [0,0,0,0,0,1|1,0,2]=4 1193 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCCC3 270004a_100000210473_100000059852 [0,0,0,0,0,1|1,0,2]=4 1194 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCCC3 34a_100000210473_106359897996 [0,0,0,0,0,1|1,0,2]=4 1195 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCCO3 207a_100000174945_100000059852 [0,0,0,0,0,1|1,0,2]=4 1196 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCCO3 2230a_100000174945_106359897996 [0,0,0,0,0,1|1,0,2]=4 1197 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCCO3 270004a_100000174945_100000059852 [0,0,0,0,0,1|1,0,2]=4 1198 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCCO3 34a_100000174945_106359897996 [0,0,0,0,0,1|1,0,2]=4 1199 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCOC3 207a_100000720124_100000059852 [0,0,0,0,0,1|1,0,2]=4 1200 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCOC3 2230a_100000720124_106359897996 [0,0,0,0,0,1|1,0,2]=4 1201 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCOC3 270004a_100000720124_100000059852 [0,0,0,0,0,1|1,0,2]=4 1202 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCCOC3 34a_100000720124_106359897996 [0,0,0,0,0,1|1,0,2]=4 1203 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCOCC3 207a_100000746373_100000059852 [0,0,0,0,0,1|1,0,2]=4 1204 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCOCC3 2230a_100000746373_106359897996 [0,0,0,0,0,1|1,0,2]=4 1205 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCOCC3 270004a_100000746373_100000059852 [0,0,0,0,0,1|1,0,2]=4 1206 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCOCC3 34a_100000746373_106359897996 [0,0,0,0,0,1|1,0,2]=4 1207 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCSCC3 207a_100015188806_100000059852 [0,0,0,0,0,1|1,0,2]=4 1208 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCSCC3 2230a_100015188806_106359897996 [0,0,0,0,0,1|1,0,2]=4 1209 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCSCC3 270004a_100015188806_100000059852 [0,0,0,0,0,1|1,0,2]=4 1210 B20R3.30162 c1nc2ccc(cc2o1)CNCC3CCSCC3 34a_100015188806_106359897996 [0,0,0,0,0,1|1,0,2]=4 1211 B20R3.30162 c1nc2ccc(cc2o1)CNC[C@H]3COCCO3 207a_100010981119_100000059852 [0,0,0,0,0,1|2,0,1]=4 1212 B20R3.30162 c1nc2ccc(cc2o1)CNC[C@H]3COCCO3 2230a_100010981119_106359897996 [0,0,0,0,0,1|2,0,1]=4 1213 B20R3.30162 c1nc2ccc(cc2o1)CNC[C@H]3COCCO3 270004a_100010981119_100000059852 [0,0,0,0,0,1|2,0,1]=4 1214 B20R3.30162 c1nc2ccc(cc2o1)CNC[C@H]3COCCO3 34a_100010981119_106359897996 [0,0,0,0,0,1|2,0,1]=4 1215 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCCC3 207a_100000210473_100009861089 [0,0,0,0,0,1|1,0,2]=4 1216 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCCC3 2230a_100000210473_100009847474 [0,0,0,0,0,1|1,0,2]=4 1217 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCCC3 270004a_100000210473_100009861089 [0,0,0,0,0,1|1,0,2]=4 1218 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCCC3 34a_100000210473_100009847474 [0,0,0,0,0,1|1,0,2]=4 1219 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCCO3 207a_100000174945_100009861089 [0,0,0,0,0,1|1,0,2]=4 1220 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCCO3 2230a_100000174945_100009847474 [0,0,0,0,0,1|1,0,2]=4 1221 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCCO3 270004a_100000174945_100009861089 [0,0,0,0,0,1|1,0,2]=4 1222 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCCO3 34a_100000174945_100009847474 [0,0,0,0,0,1|1,0,2]=4 1223 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCOC3 207a_100000720124_100009861089 [0,0,0,0,0,1|1,0,2]=4 1224 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCOC3 2230a_100000720124_100009847474 [0,0,0,0,0,1|1,0,2]=4 1225 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCOC3 270004a_100000720124_100009861089 [0,0,0,0,0,1|1,0,2]=4 1226 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCCOC3 34a_100000720124_100009847474 [0,0,0,0,0,1|1,0,2]=4 1227 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCOCC3 207a_100000746373_100009861089 [0,0,0,0,0,1|1,0,2]=4 1228 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCOCC3 2230a_100000746373_100009847474 [0,0,0,0,0,1|1,0,2]=4 1229 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCOCC3 270004a_100000746373_100009861089 [0,0,0,0,0,1|1,0,2]=4 1230 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCOCC3 34a_100000746373_100009847474 [0,0,0,0,0,1|1,0,2]=4 1231 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCSCC3 207a_100015188806_100009861089 [0,0,0,0,0,1|1,0,2]=4 1232 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCSCC3 2230a_100015188806_100009847474 [0,0,0,0,0,1|1,0,2]=4 1233 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCSCC3 270004a_100015188806_100009861089 [0,0,0,0,0,1|1,0,2]=4 1234 B20R3.30162 c1nc2ccc(cc2s1)CNCC3CCSCC3 34a_100015188806_100009847474 [0,0,0,0,0,1|1,0,2]=4 1235 B20R3.30162 c1nc2ccc(cc2s1)CNC[C@H]3COCCO3 207a_100010981119_100009861089 [0,0,0,0,0,1|2,0,1]=4 1236 B20R3.30162 c1nc2ccc(cc2s1)CNC[C@H]3COCCO3 2230a_100010981119_100009847474 [0,0,0,0,0,1|2,0,1]=4 1237 B20R3.30162 c1nc2ccc(cc2s1)CNC[C@H]3COCCO3 270004a_100010981119_100009861089 [0,0,0,0,0,1|2,0,1]=4 1238 B20R3.30162 c1nc2ccc(cc2s1)CNC[C@H]3COCCO3 34a_100010981119_100009847474 [0,0,0,0,0,1|2,0,1]=4 1239 B20R3.30162 c1ncc(cn1)CNCc2ccc3nc[nH]c3c2 207a_100011243677_100000059205 [0,0,0,0,0,1|1,0,2]=4 1240 B20R3.30162 c1ncc(cn1)CNCc2ccc3nc[nH]c3c2 270004a_100011243677_100000059205 [0,0,0,0,0,1|1,0,2]=4 1241 B20R3.105088 c1cc2cc(ccc2cn1)CNCC3CCCC3 207a_100000737975_100000068276 [0,0,0,0,0,1|1,0,2]=4 1242 B20R3.105088 c1cc2cc(ccc2cn1)CNCC3CCCC3 2230a_100000737975_100020605334 [0,0,0,0,0,1|1,0,2]=4 1243 B20R3.105088 c1cc2cc(ccc2cn1)CNCC3CCCC3 270004a_100000737975_100000068276 [0,0,0,0,0,1|1,0,2]=4 1244 B20R3.105088 c1cc2cc(ccc2cn1)CNCC3CCCC3 34a_100000737975_100020605334 [0,0,0,0,0,1|1,0,2]=4 1245 B20R3.105088 c1cc2cc(ccc2cn1)CNCC3CCOC3 207a_100000737293_100000068276 [0,0,0,0,0,1|2,0,1]=4 1246 B20R3.105088 c1cc2cc(ccc2cn1)CNCC3CCOC3 2230a_100000737293_100020605334 [0,0,0,0,0,1|2,0,1]=4 1247 B20R3.105088 c1cc2cc(ccc2cn1)CNCC3CCOC3 270004a_100000737293_100000068276 [0,0,0,0,0,1|2,0,1]=4 1248 B20R3.105088 c1cc2cc(ccc2cn1)CNCC3CCOC3 34a_100000737293_100020605334 [0,0,0,0,0,1|2,0,1]=4 1249 B20R3.105088 c1cc2cc(ccc2cn1)CNC[C@@H]3CCCO3 207a_100020590478_100000068276 [0,0,0,0,0,1|2,0,1]=4 1250 B20R3.105088 c1cc2cc(ccc2cn1)CNC[C@@H]3CCCO3 2230a_100020590478_100020605334 [0,0,0,0,0,1|2,0,1]=4 1251 B20R3.105088 c1cc2cc(ccc2cn1)CNC[C@@H]3CCCO3 270004a_100020590478_100000068276 [0,0,0,0,0,1|2,0,1]=4 1252 B20R3.105088 c1cc2cc(ccc2cn1)CNC[C@@H]3CCCO3 34a_100020590478_100020605334 [0,0,0,0,0,1|2,0,1]=4 1253 B20R3.105088 c1cnc2cc(ccc2n1)CNCC3CCCC3 2230a_100000737975_200011762199 [0,0,0,0,0,1|0,0,3]=4 1254 B20R3.105088 c1cnc2cc(ccc2n1)CNCC3CCCC3 269862a_106354213004_100000746403 [0,0,0,0,0,1|0,0,3]=4 1255 B20R3.105088 c1cnc2cc(ccc2n1)CNCC3CCCC3 270004a_100000737975_100000239887 [0,0,0,0,0,1|0,0,3]=4 1256 B20R3.105088 c1cnc2cc(ccc2n1)CNCC3CCOC3 2230a_100000737293_200011762199 [0,0,0,0,0,1|1,0,2]=4 1257 B20R3.105088 c1cnc2cc(ccc2n1)CNCC3CCOC3 270004a_100000737293_100000239887 [0,0,0,0,0,1|1,0,2]=4 1258 B20R3.105088 c1cnc2cc(ccc2n1)CNC[C@@H]3CCCO3 2230a_100020590478_200011762199 [0,0,0,0,0,1|1,0,2]=4 1259 B20R3.105088 c1cnc2cc(ccc2n1)CNC[C@@H]3CCCO3 270004a_100020590478_100000239887 [0,0,0,0,0,1|1,0,2]=4 1260 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCCC3 207a_100000737975_100000211315 [0,0,0,0,0,1|1,0,2]=4 1261 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCCC3 2230a_100000737975_100000703657 [0,0,0,0,0,1|1,0,2]=4 1262 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCCC3 269862a_100000238500_100000746403 [0,0,0,0,0,1|1,0,2]=4 1263 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCCC3 270004a_100000737975_100000211315 [0,0,0,0,0,1|1,0,2]=4 1264 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCCC3 34a_100000238500_100000740388 [0,0,0,0,0,1|1,0,2]=4 1265 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCCC3 34a_100000737975_100000703657 [0,0,0,0,0,1|1,0,2]=4 1266 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCOC3 207a_100000737293_100000211315 [0,0,0,0,0,1|2,0,1]=4 1267 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCOC3 2230a_100000737293_100000703657 [0,0,0,0,0,1|2,0,1]=4 1268 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCOC3 270004a_100000737293_100000211315 [0,0,0,0,0,1|2,0,1]=4 1269 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCOC3 34a_100000238500_100011261433 [0,0,0,0,0,1|2,0,1]=4 1270 B20R3.105088 c1cnc2ccc(cc2c1)CNCC3CCOC3 34a_100000737293_100000703657 [0,0,0,0,0,1|2,0,1]=4 1271 B20R3.105088 c1cnc2ccc(cc2c1)CNC[C@@H]3CCCO3 207a_100020590478_100000211315 [0,0,0,0,0,1|2,0,1]=4 1272 B20R3.105088 c1cnc2ccc(cc2c1)CNC[C@@H]3CCCO3 2230a_100020590478_100000703657 [0,0,0,0,0,1|2,0,1]=4 1273 B20R3.105088 c1cnc2ccc(cc2c1)CNC[C@@H]3CCCO3 270004a_100020590478_100000211315 [0,0,0,0,0,1|2,0,1]=4 1274 B20R3.105088 c1cnc2ccc(cc2c1)CNC[C@@H]3CCCO3 34a_100020590478_100000703657 [0,0,0,0,0,1|2,0,1]=4 1275 B17R2.8766 C#CCCCNCc1ccc2nc[nH]c2c1 207a_100000718082_100000059205 [1,0,1,0,0,0|0,0,2]=4 1276 B17R2.8766 C#CCCCNCc1ccc2nc[nH]c2c1 270004a_100000718082_100000059205 [1,0,1,0,0,0|0,0,2]=4 1277 B17R2.8766 C/C=C/CCOCc1ccc2ncoc2c1 34a_100016278192_106359897996 [1,0,1,0,0,0|2,0,0]=4 1278 B17R2.8766 C/C=C/CCOCc1ccc2ncsc2c1 34a_100016278192_100009847474 [1,0,1,0,0,0|2,0,0]=4 1279 B17R2.8766 C=CCCCCNc1ccc2ccoc2c1 34a_100000102395_100011215482 [1,0,1,0,0,0|2,0,0]=4 1280 B17R2.8766 C=CCCCCNc1ccc2ncoc2c1 34a_100011248239_100011215482 [1,0,1,0,0,0|1,0,0]=3 1281 B17R2.8766 C=CCCCCNc1ccc2ncsc2c1 34a_100011215093_100011215482 [1,0,1,0,0,0|1,0,0]=3 1282 B17R2.8766 C=CCCCCNc1ccc2ncsc2n1 27a_100000703577_100010381354 [1,0,1,0,0,0|2,0,0]=4 1283 B17R2.8766 C=CCCCCNc1ccc2occc2c1 34a_106430523501_100011215482 [1,0,1,0,0,0|2,0,0]=4 1284 B17R2.8766 C=CCCCCNc1ccc2ocnc2c1 34a_100011219863_100011215482 [1,0,1,0,0,0|1,0,1]=4 1285 B17R2.8766 C=CCCCCNc1ccc2sccc2c1 34a_100000681076_100011215482 [1,0,1,0,0,0|2,0,0]=4 1286 B17R2.8766 C=CCCCCNc1ccc2scnc2c1 34a_100000047738_100011215482 [1,0,1,0,0,0|1,0,1]=4 1287 B17R2.8766 C=CCCCCNc1ccn2ncnc2c1 27a_100000703577_100009819723 [1,0,1,0,0,0|1,0,1]=4 1288 B17R2.8766 C=CCCCCNc1ncc2nc[nH]c2n1 27a_100000703577_100000009038 [1,0,1,0,0,0|2,0,0]=4 1289 B17R2.8766 C=CCCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100011215482 [1,0,1,0,0,0|2,0,0]=4 1290 B17R2.8766 C=CCCCCOc1ccc2ncsc2c1 34a_100011995850_100011215482 [1,0,1,0,0,0|2,0,0]=4 1291 B17R2.8766 C=CCCCCOc1ccc2ncsc2c1 7a_100011995850_100011215482 [1,0,1,0,0,0|2,0,0]=4 1292 B17R2.8766 C=CCCCCSc1ccc2cc[nH]c2c1 62a_100011215482_100000743809 [1,0,1,0,0,0|2,0,0]=4 1293 B17R2.8766 C=CCCCCSc1ccc2nc[nH]c2n1 62a_100009820032_100011215482 [1,0,1,0,0,0|2,0,0]=4 1294 B17R2.8766 C=CCCCCSc1ccc2nc[nH]c2n1 62a_100011215482_100000077665 [1,0,1,0,0,0|2,0,0]=4 1295 B17R2.8766 C=CCCCCSc1ccc2ncoc2c1 62a_100011215482_100009817590 [1,0,1,0,0,0|2,0,0]=4 1296 B17R2.8766 C=CCCCCSc1ccc2ncsc2c1 62a_100009816678_100011215482 [1,0,1,0,0,0|2,0,0]=4 1297 B17R2.8766 C=CCCCCSc1ccc2ncsc2c1 62a_100011215482_100009816678 [1,0,1,0,0,0|2,0,0]=4 1298 B17R2.8766 C=CCCCCSc1ccc2nn[nH]c2c1 62a_100011215482_100009817464 [1,0,1,0,0,0|2,0,0]=4 1299 B17R2.8766 C=CCCCCSc1cnc2nc[nH]c2c1 62a_100011215482_100000760087 [1,0,1,0,0,0|2,0,0]=4 1300 B17R2.8766 C=CCCCNCc1ccc2[nH]ccc2c1 270004a_100000700776_100011197475 [1,0,1,0,0,0|1,0,1]=4 1301 B17R2.8766 C=CCCCNCc1ccc2cc[nH]c2c1 270004a_100000700776_100011218920 [1,0,1,0,0,0|1,0,0]=3 1302 B17R2.8766 C=CCCCNCc1ccc2cc[nH]c2n1 270004a_100000700776_100000089654 [1,0,1,0,0,0|2,0,0]=4 1303 B17R2.8766 C=CCCCNCc1ccc2ccsc2c1 270004a_100000700776_100000112508 [1,0,1,0,0,0|2,0,0]=4 1304 B17R2.8766 C=CCCCNCc1ccc2cn[nH]c2c1 2230a_100000700776_100020605281 [1,0,1,0,0,0|2,0,0]=4 1305 B17R2.8766 C=CCCCNCc1ccc2cn[nH]c2c1 270004a_100000700776_100137314666 [1,0,1,0,0,0|2,0,0]=4 1306 B17R2.8766 C=CCCCNCc1ccc2cn[nH]c2c1 34a_100000700776_100020605281 [1,0,1,0,0,0|2,0,0]=4 1307 B17R2.8766 C=CCCCNCc1ccc2n[nH]cc2c1 270004a_100000700776_100000068381 [1,0,1,0,0,0|2,0,0]=4 1308 B17R2.8766 C=CCCCNCc1ccc2nc[nH]c2c1 270004a_100000700776_100000059205 [1,0,1,0,0,0|0,0,0]=2 1309 B17R2.8766 C=CCCCNCc1ccc2nccn2c1 270004a_100000700776_100000059712 [1,0,1,0,0,0|2,0,0]=4 1310 B17R2.8766 C=CCCCNCc1ccc2ncnn2c1 270004a_100000700776_100000102685 [1,0,1,0,0,0|1,0,1]=4 1311 B17R2.8766 C=CCCCNCc1ccc2ncoc2c1 2230a_100000700776_106359897996 [1,0,1,0,0,0|1,0,0]=3 1312 B17R2.8766 C=CCCCNCc1ccc2ncoc2c1 270004a_100000700776_100000059852 [1,0,1,0,0,0|1,0,0]=3 1313 B17R2.8766 C=CCCCNCc1ccc2ncoc2c1 34a_100000700776_106359897996 [1,0,1,0,0,0|1,0,0]=3 1314 B17R2.8766 C=CCCCNCc1ccc2ncsc2c1 2230a_100000700776_100009847474 [1,0,1,0,0,0|1,0,0]=3 1315 B17R2.8766 C=CCCCNCc1ccc2ncsc2c1 270004a_100000700776_100009861089 [1,0,1,0,0,0|1,0,0]=3 1316 B17R2.8766 C=CCCCNCc1ccc2ncsc2c1 34a_100000700776_100009847474 [1,0,1,0,0,0|1,0,0]=3 1317 B17R2.8766 C=CCCCNCc1ccc2nonc2c1 2230a_100000700776_100000733437 [1,0,1,0,0,0|1,0,1]=4 1318 B17R2.8766 C=CCCCNCc1ccc2nonc2c1 270004a_100000700776_100000042170 [1,0,1,0,0,0|1,0,1]=4 1319 B17R2.8766 C=CCCCNCc1ccc2nonc2c1 34a_100000700776_100000733437 [1,0,1,0,0,0|1,0,1]=4 1320 B17R2.8766 C=CCCCNCc1ccc2nsnc2c1 2230a_100000700776_100000187484 [1,0,1,0,0,0|1,0,1]=4 1321 B17R2.8766 C=CCCCNCc1ccc2nsnc2c1 270004a_100000700776_100000042169 [1,0,1,0,0,0|1,0,1]=4 1322 B17R2.8766 C=CCCCNCc1ccc2nsnc2c1 34a_100000700776_100000187484 [1,0,1,0,0,0|1,0,1]=4 1323 B17R2.8766 C=CCCCNCc1ccc2occc2c1 2230a_100020591328_100011713584 [1,0,1,0,0,0|2,0,0]=4 1324 B17R2.8766 C=CCCCNCc1ccc2occc2c1 270004a_100000700776_100000040644 [1,0,1,0,0,0|2,0,0]=4 1325 B17R2.8766 C=CCCCNCc1ccc2occc2c1 34a_100020591328_100000757094 [1,0,1,0,0,0|2,0,0]=4 1326 B17R2.8766 C=CCCCNCc1ccc2ocnc2c1 2230a_100000700776_200010203175 [1,0,1,0,0,0|1,0,1]=4 1327 B17R2.8766 C=CCCCNCc1ccc2ocnc2c1 270004a_100000700776_100010271902 [1,0,1,0,0,0|1,0,1]=4 1328 B17R2.8766 C=CCCCNCc1ccc2ocnc2c1 34a_100000700776_200010203175 [1,0,1,0,0,0|1,0,1]=4 1329 B17R2.8766 C=CCCCNCc1ccc2sccc2c1 2230a_100000732457_100011713584 [1,0,1,0,0,0|2,0,0]=4 1330 B17R2.8766 C=CCCCNCc1ccc2sccc2c1 270004a_100000700776_100000050658 [1,0,1,0,0,0|2,0,0]=4 1331 B17R2.8766 C=CCCCNCc1ccc2sccc2c1 34a_100000732457_100000757094 [1,0,1,0,0,0|2,0,0]=4 1332 B17R2.8766 C=CCCCNCc1ccc2scnc2c1 270004a_100000700776_100000718305 [1,0,1,0,0,0|1,0,1]=4 1333 B17R2.8766 C=CCCCNCc1ccn2nccc2c1 270004a_100000700776_100009861398 [1,0,1,0,0,0|2,0,0]=4 1334 B17R2.8766 C=CCCCNCc1cnc2cc[nH]c2c1 270004a_100000700776_100000094745 [1,0,1,0,0,0|2,0,0]=4 1335 B17R2.8766 C=CCCCOCc1ccc2ncoc2c1 34a_100000758997_106359897996 [1,0,1,0,0,0|2,0,0]=4 1336 B17R2.8766 C=CCCCOCc1ccc2ncoc2c1 7a_100000758997_106359897996 [1,0,1,0,0,0|2,0,0]=4 1337 B17R2.8766 C=CCCCOCc1ccc2ncsc2c1 34a_100000758997_100009847474 [1,0,1,0,0,0|2,0,0]=4 1338 B17R2.8766 C=CCCCOCc1ccc2ncsc2c1 7a_100000758997_100009847474 [1,0,1,0,0,0|2,0,0]=4 1339 B17R2.8766 C=CCCCSCc1ccc2ncoc2c1 62a_100011713584_106359897996 [1,0,1,0,0,0|2,0,0]=4 1340 B17R2.8766 C=CCCCSCc1ccc2ncoc2c1 62a_106359897996_100000757094 [1,0,1,0,0,0|2,0,0]=4 1341 B17R2.8766 C=CCCCSCc1ccc2ncsc2c1 62a_100009847474_100000757094 [1,0,1,0,0,0|2,0,0]=4 1342 B17R2.8766 C=CCCCSCc1ccc2ncsc2c1 62a_100011713584_100009847474 [1,0,1,0,0,0|2,0,0]=4 1343 B17R2.8766 CC/C=C\CCNc1ccc2ccoc2c1 34a_100000102395_100015370543 [1,0,1,0,0,0|2,0,0]=4 1344 B17R2.8766 CC/C=C\CCNc1ccc2ncoc2c1 34a_100011248239_100015370543 [1,0,1,0,0,0|1,0,0]=3 1345 B17R2.8766 CC/C=C\CCNc1ccc2ncsc2c1 34a_100011215093_100015370543 [1,0,1,0,0,0|1,0,0]=3 1346 B17R2.8766 CC/C=C\CCNc1ccc2occc2c1 34a_106430523501_100015370543 [1,0,1,0,0,0|2,0,0]=4 1347 B17R2.8766 CC/C=C\CCNc1ccc2ocnc2c1 34a_100011219863_100015370543 [1,0,1,0,0,0|1,0,1]=4 1348 B17R2.8766 CC/C=C\CCNc1ccc2sccc2c1 34a_100000681076_100015370543 [1,0,1,0,0,0|2,0,0]=4 1349 B17R2.8766 CC/C=C\CCNc1ccc2scnc2c1 34a_100000047738_100015370543 [1,0,1,0,0,0|1,0,1]=4 1350 B17R2.8766 CC/C=C\CCOc1ccc2cc[nH]c2c1 34a_100000036713_100015370543 [1,0,1,0,0,0|2,0,0]=4 1351 B17R2.8766 CC/C=C\CCOc1ccc2ncsc2c1 34a_100011995850_100015370543 [1,0,1,0,0,0|2,0,0]=4 1352 B17R2.8766 CC/C=C\CCOc1ccc2ncsc2c1 7a_100011995850_100015370543 [1,0,1,0,0,0|2,0,0]=4 1353 B17R2.8766 CC/C=C\CCSc1ccc2cc[nH]c2c1 62a_100015370543_100000743809 [1,0,1,0,0,0|2,0,0]=4 1354 B17R2.8766 CC/C=C\CCSc1ccc2nc[nH]c2n1 62a_100009820032_100015370543 [1,0,1,0,0,0|2,0,0]=4 1355 B17R2.8766 CC/C=C\CCSc1ccc2nc[nH]c2n1 62a_100015370543_100000077665 [1,0,1,0,0,0|2,0,0]=4 1356 B17R2.8766 CC/C=C\CCSc1ccc2ncoc2c1 62a_100015370543_100009817590 [1,0,1,0,0,0|2,0,0]=4 1357 B17R2.8766 CC/C=C\CCSc1ccc2ncsc2c1 62a_100009816678_100015370543 [1,0,1,0,0,0|2,0,0]=4 1358 B17R2.8766 CC/C=C\CCSc1ccc2ncsc2c1 62a_100015370543_100009816678 [1,0,1,0,0,0|2,0,0]=4 1359 B17R2.8766 CC/C=C\CCSc1ccc2nn[nH]c2c1 62a_100015370543_100009817464 [1,0,1,0,0,0|2,0,0]=4 1360 B17R2.8766 CC/C=C\CCSc1cnc2nc[nH]c2c1 62a_100015370543_100000760087 [1,0,1,0,0,0|2,0,0]=4 1361 B17R2.8766 CC/C=C\CNCc1ccc2occc2c1 2230a_100020591328_100103147603 [1,0,1,0,0,0|2,0,0]=4 1362 B17R2.8766 CC/C=C\CNCc1ccc2occc2c1 34a_100020591328_100103147603 [1,0,1,0,0,0|2,0,0]=4 1363 B17R2.8766 CC/C=C\CNCc1ccc2sccc2c1 2230a_100000732457_100103147603 [1,0,1,0,0,0|2,0,0]=4 1364 B17R2.8766 CC/C=C\CNCc1ccc2sccc2c1 34a_100000732457_100103147603 [1,0,1,0,0,0|2,0,0]=4 1365 B17R2.8766 CC/C=C\COCc1ccc2ncoc2c1 34a_100016268518_106359897996 [1,0,1,0,0,0|2,0,0]=4 1366 B17R2.8766 CC/C=C\COCc1ccc2ncsc2c1 34a_100016268518_100009847474 [1,0,1,0,0,0|2,0,0]=4 1367 B17R2.8766 CC/C=C\CSCc1ccc2ncoc2c1 62a_100103147603_106359897996 [1,0,1,0,0,0|2,0,0]=4 1368 B17R2.8766 CC/C=C\CSCc1ccc2ncoc2c1 62a_106359897996_100103147603 [1,0,1,0,0,0|2,0,0]=4 1369 B17R2.8766 CC/C=C\CSCc1ccc2ncsc2c1 62a_100009847474_100103147603 [1,0,1,0,0,0|2,0,0]=4 1370 B17R2.8766 CC/C=C\CSCc1ccc2ncsc2c1 62a_100103147603_100009847474 [1,0,1,0,0,0|2,0,0]=4 1371 B17R2.8766 CCCCCNCc1ccc2cc[nH]c2c1 207a_100000209983_100011218920 [1,0,1,0,0,0|1,0,1]=4 1372 B17R2.8766 CCCCCNCc1ccc2cc[nH]c2c1 270004a_100000209983_100011218920 [1,0,1,0,0,0|1,0,1]=4 1373 B17R2.8766 CCCCCNCc1ccc2nc[nH]c2c1 207a_100000209983_100000059205 [1,0,1,0,0,0|0,0,1]=3 1374 B17R2.8766 CCCCCNCc1ccc2nc[nH]c2c1 270004a_100000209983_100000059205 [1,0,1,0,0,0|0,0,1]=3 1375 B17R2.8766 CCCCCNCc1ccc2ncoc2c1 207a_100000209983_100000059852 [1,0,1,0,0,0|1,0,1]=4 1376 B17R2.8766 CCCCCNCc1ccc2ncoc2c1 2230a_100000209983_106359897996 [1,0,1,0,0,0|1,0,1]=4 1377 B17R2.8766 CCCCCNCc1ccc2ncoc2c1 270004a_100000209983_100000059852 [1,0,1,0,0,0|1,0,1]=4 1378 B17R2.8766 CCCCCNCc1ccc2ncsc2c1 207a_100000209983_100009861089 [1,0,1,0,0,0|1,0,1]=4 1379 B17R2.8766 CCCCCNCc1ccc2ncsc2c1 2230a_100000209983_100009847474 [1,0,1,0,0,0|1,0,1]=4 1380 B17R2.8766 CCCCCNCc1ccc2ncsc2c1 270004a_100000209983_100009861089 [1,0,1,0,0,0|1,0,1]=4 1381 B17R2.8766 CCOCCNCc1ccc2cc[nH]c2c1 207a_100011200944_100011218920 [1,0,1,0,0,0|2,0,0]=4 1382 B17R2.8766 CCOCCNCc1ccc2cc[nH]c2c1 270004a_102516460346_100011218920 [1,0,1,0,0,0|2,0,0]=4 1383 B17R2.8766 CCOCCNCc1ccc2nc[nH]c2c1 207a_100011200944_100000059205 [1,0,1,0,0,0|1,0,0]=3 1384 B17R2.8766 CCOCCNCc1ccc2nc[nH]c2c1 270004a_102516460346_100000059205 [1,0,1,0,0,0|1,0,0]=3 1385 B17R2.8766 CCOCCNCc1ccc2ncoc2c1 207a_100011200944_100000059852 [1,0,1,0,0,0|2,0,0]=4 1386 B17R2.8766 CCOCCNCc1ccc2ncoc2c1 2230a_102516460346_106359897996 [1,0,1,0,0,0|2,0,0]=4 1387 B17R2.8766 CCOCCNCc1ccc2ncoc2c1 270004a_102516460346_100000059852 [1,0,1,0,0,0|2,0,0]=4 1388 B17R2.8766 CCOCCNCc1ccc2ncoc2c1 34a_102516460346_106359897996 [1,0,1,0,0,0|2,0,0]=4 1389 B17R2.8766 CCOCCNCc1ccc2ncsc2c1 207a_100011200944_100009861089 [1,0,1,0,0,0|2,0,0]=4 1390 B17R2.8766 CCOCCNCc1ccc2ncsc2c1 2230a_102516460346_100009847474 [1,0,1,0,0,0|2,0,0]=4 1391 B17R2.8766 CCOCCNCc1ccc2ncsc2c1 270004a_102516460346_100009861089 [1,0,1,0,0,0|2,0,0]=4 1392 B17R2.8766 CCOCCNCc1ccc2ncsc2c1 34a_102516460346_100009847474 [1,0,1,0,0,0|2,0,0]=4 1393 B17R2.8766 CCSCCNCc1ccc2cc[nH]c2c1 207a_100000106463_100011218920 [1,0,1,0,0,0|2,0,0]=4 1394 B17R2.8766 CCSCCNCc1ccc2cc[nH]c2c1 270004a_100000106463_100011218920 [1,0,1,0,0,0|2,0,0]=4 1395 B17R2.8766 CCSCCNCc1ccc2nc[nH]c2c1 207a_100000106463_100000059205 [1,0,1,0,0,0|1,0,0]=3 1396 B17R2.8766 CCSCCNCc1ccc2nc[nH]c2c1 270004a_100000106463_100000059205 [1,0,1,0,0,0|1,0,0]=3 1397 B17R2.8766 CCSCCNCc1ccc2ncoc2c1 207a_100000106463_100000059852 [1,0,1,0,0,0|2,0,0]=4 1398 B17R2.8766 CCSCCNCc1ccc2ncoc2c1 2230a_100000106463_106359897996 [1,0,1,0,0,0|2,0,0]=4 1399 B17R2.8766 CCSCCNCc1ccc2ncoc2c1 270004a_100000106463_100000059852 [1,0,1,0,0,0|2,0,0]=4 1400 B17R2.8766 CCSCCNCc1ccc2ncsc2c1 207a_100000106463_100009861089 [1,0,1,0,0,0|2,0,0]=4 1401 B17R2.8766 CCSCCNCc1ccc2ncsc2c1 2230a_100000106463_100009847474 [1,0,1,0,0,0|2,0,0]=4 1402 B17R2.8766 CCSCCNCc1ccc2ncsc2c1 270004a_100000106463_100009861089 [1,0,1,0,0,0|2,0,0]=4 1403 B17R2.8766 COCCCNCc1ccc2nc[nH]c2c1 207a_100150723488_100000059205 [1,0,1,0,0,0|1,0,1]=4 1404 B17R2.8766 COCCCNCc1ccc2nc[nH]c2c1 270004a_100150723488_100000059205 [1,0,1,0,0,0|1,0,1]=4 1405 B17R2.8766 CSCCCNCc1ccc2nc[nH]c2c1 207a_100000749238_100000059205 [1,0,1,0,0,0|1,0,1]=4 1406 B17R2.8766 CSCCCNCc1ccc2nc[nH]c2c1 270004a_100000749238_100000059205 [1,0,1,0,0,0|1,0,1]=4 1407 B17R2.8766 OCCCCNCc1ccc2cc[nH]c2c1 207a_100000750430_100011218920 [1,0,1,0,0,0|2,0,0]=4 1408 B17R2.8766 OCCCCNCc1ccc2cc[nH]c2c1 270004a_100000750430_100011218920 [1,0,1,0,0,0|2,0,0]=4 1409 B17R2.8766 OCCCCNCc1ccc2nc[nH]c2c1 207a_100000750430_100000059205 [1,0,1,0,0,0|1,0,0]=3 1410 B17R2.8766 OCCCCNCc1ccc2nc[nH]c2c1 270004a_100000750430_100000059205 [1,0,1,0,0,0|1,0,0]=3 1411 B17R2.8766 OCCCCNCc1ccc2ncoc2c1 207a_100000750430_100000059852 [1,0,1,0,0,0|2,0,0]=4 1412 B17R2.8766 OCCCCNCc1ccc2ncoc2c1 2230a_100000750430_106359897996 [1,0,1,0,0,0|2,0,0]=4 1413 B17R2.8766 OCCCCNCc1ccc2ncoc2c1 270004a_100000750430_100000059852 [1,0,1,0,0,0|2,0,0]=4 1414 B17R2.8766 OCCCCNCc1ccc2ncoc2c1 34a_100000750430_106359897996 [1,0,1,0,0,0|2,0,0]=4 1415 B17R2.8766 OCCCCNCc1ccc2ncsc2c1 207a_100000750430_100009861089 [1,0,1,0,0,0|2,0,0]=4 1416 B17R2.8766 OCCCCNCc1ccc2ncsc2c1 2230a_100000750430_100009847474 [1,0,1,0,0,0|2,0,0]=4 1417 B17R2.8766 OCCCCNCc1ccc2ncsc2c1 270004a_100000750430_100009861089 [1,0,1,0,0,0|2,0,0]=4 1418 B17R2.8766 OCCCCNCc1ccc2ncsc2c1 34a_100000750430_100009847474 [1,0,1,0,0,0|2,0,0]=4 1419 B17R2.7777 C=CC(C)COCc1ccc2ncoc2c1 34a_100011215527_106359897996 [1,0,1,0,0,0|2,0,0]=4 1420 B17R2.7777 C=CC(C)COCc1ccc2ncoc2c1 7a_100011215527_106359897996 [1,0,1,0,0,0|2,0,0]=4 1421 B17R2.7777 C=CC(C)COCc1ccc2ncsc2c1 34a_100011215527_100009847474 [1,0,1,0,0,0|2,0,0]=4 1422 B17R2.7777 C=CC(C)COCc1ccc2ncsc2c1 7a_100011215527_100009847474 [1,0,1,0,0,0|2,0,0]=4 1423 B17R2.7777 CC(CO)CNCc1ccc2nc[nH]c2c1 207a_100000744482_100000059205 [1,0,1,0,0,0|1,0,1]=4 1424 B17R2.7777 CCC(C)CNCc1ccc2cc[nH]c2c1 207a_100020588543_100011218920 [1,0,1,0,0,0|1,0,1]=4 1425 B17R2.7777 CCC(C)CNCc1ccc2cc[nH]c2c1 270004a_100011912548_100000243153 [1,0,1,0,0,0|1,0,1]=4 1426 B17R2.7777 CCC(C)CNCc1ccc2cc[nH]c2c1 270004a_100020588543_100011218920 [1,0,1,0,0,0|1,0,1]=4 1427 B17R2.7777 CCC(C)CNCc1ccc2nc[nH]c2c1 207a_100020588543_100000059205 [1,0,1,0,0,0|0,0,1]=3 1428 B17R2.7777 CCC(C)CNCc1ccc2nc[nH]c2c1 270004a_100020588543_100000059205 [1,0,1,0,0,0|0,0,1]=3 1429 B17R2.7777 CCC(C)CNCc1ccc2ncoc2c1 207a_100020588543_100000059852 [1,0,1,0,0,0|1,0,1]=4 1430 B17R2.7777 CCC(C)CNCc1ccc2ncoc2c1 2230a_100020588543_106359897996 [1,0,1,0,0,0|1,0,1]=4 1431 B17R2.7777 CCC(C)CNCc1ccc2ncoc2c1 270004a_100020588543_100000059852 [1,0,1,0,0,0|1,0,1]=4 1432 B17R2.7777 CCC(C)CNCc1ccc2ncsc2c1 207a_100020588543_100009861089 [1,0,1,0,0,0|1,0,1]=4 1433 B17R2.7777 CCC(C)CNCc1ccc2ncsc2c1 2230a_100020588543_100009847474 [1,0,1,0,0,0|1,0,1]=4 1434 B17R2.7777 CCC(C)CNCc1ccc2ncsc2c1 270004a_100020588543_100009861089 [1,0,1,0,0,0|1,0,1]=4 1435 B17R2.7777 CCC(O)CNCc1ccc2cc[nH]c2c1 207a_100011218483_100011218920 [1,0,1,0,0,0|2,0,0]=4 1436 B17R2.7777 CCC(O)CNCc1ccc2cc[nH]c2c1 270004a_100011218483_100011218920 [1,0,1,0,0,0|2,0,0]=4 1437 B17R2.7777 CCC(O)CNCc1ccc2nc[nH]c2c1 207a_100011218483_100000059205 [1,0,1,0,0,0|1,0,0]=3 1438 B17R2.7777 CCC(O)CNCc1ccc2nc[nH]c2c1 270004a_100011218483_100000059205 [1,0,1,0,0,0|1,0,0]=3 1439 B17R2.7777 CCC(O)CNCc1ccc2ncoc2c1 207a_100011218483_100000059852 [1,0,1,0,0,0|2,0,0]=4 1440 B17R2.7777 CCC(O)CNCc1ccc2ncoc2c1 2230a_100011218483_106359897996 [1,0,1,0,0,0|2,0,0]=4 1441 B17R2.7777 CCC(O)CNCc1ccc2ncoc2c1 270004a_100011218483_100000059852 [1,0,1,0,0,0|2,0,0]=4 1442 B17R2.7777 CCC(O)CNCc1ccc2ncsc2c1 207a_100011218483_100009861089 [1,0,1,0,0,0|2,0,0]=4 1443 B17R2.7777 CCC(O)CNCc1ccc2ncsc2c1 2230a_100011218483_100009847474 [1,0,1,0,0,0|2,0,0]=4 1444 B17R2.7777 CCC(O)CNCc1ccc2ncsc2c1 270004a_100011218483_100009861089 [1,0,1,0,0,0|2,0,0]=4 1445 B17R2.7777 CO[C@H](C)CNCc1ccc2cc[nH]c2c1 207a_100020591295_100011218920 [1,0,1,0,0,0|2,0,0]=4 1446 B17R2.7777 CO[C@H](C)CNCc1ccc2cc[nH]c2c1 270004a_100020591295_100011218920 [1,0,1,0,0,0|2,0,0]=4 1447 B17R2.7777 CO[C@H](C)CNCc1ccc2nc[nH]c2c1 207a_100020591295_100000059205 [1,0,1,0,0,0|1,0,0]=3 1448 B17R2.7777 CO[C@H](C)CNCc1ccc2nc[nH]c2c1 270004a_100020591295_100000059205 [1,0,1,0,0,0|1,0,0]=3 1449 B17R2.7777 CO[C@H](C)CNCc1ccc2ncoc2c1 207a_100020591295_100000059852 [1,0,1,0,0,0|2,0,0]=4 1450 B17R2.7777 CO[C@H](C)CNCc1ccc2ncoc2c1 2230a_100020591295_106359897996 [1,0,1,0,0,0|2,0,0]=4 1451 B17R2.7777 CO[C@H](C)CNCc1ccc2ncoc2c1 270004a_100020591295_100000059852 [1,0,1,0,0,0|2,0,0]=4 1452 B17R2.7777 CO[C@H](C)CNCc1ccc2ncsc2c1 207a_100020591295_100009861089 [1,0,1,0,0,0|2,0,0]=4 1453 B17R2.7777 CO[C@H](C)CNCc1ccc2ncsc2c1 2230a_100020591295_100009847474 [1,0,1,0,0,0|2,0,0]=4 1454 B17R2.7777 CO[C@H](C)CNCc1ccc2ncsc2c1 270004a_100020591295_100009861089 [1,0,1,0,0,0|2,0,0]=4 1455 B17R2.7777 OC[C@@H](O)CNCc1ccc2nc[nH]c2c1 207a_100020644852_100000059205 [1,0,1,0,0,0|2,0,0]=4 1456 B17R2.7777 OC[C@H](F)CNCc1ccc2nc[nH]c2c1 207a_100015665980_100000059205 [1,0,1,0,0,0|2,0,0]=4 1457 B17R2.7777 OC[C@H](F)CNCc1ccc2nc[nH]c2c1 270004a_100015665980_100000059205 [1,0,1,0,0,0|2,0,0]=4 1458 B19R2.21503 C=CCCCCCCNc1ccc2ncoc2c1 34a_100011248239_100011215473 [0,1,1,0,0,0|2,0,0]=4 1459 B19R2.21503 C=CCCCCCCNc1ccc2ncsc2c1 34a_100011215093_100011215473 [0,1,1,0,0,0|2,0,0]=4 1460 B19R2.21503 C=CCCCCCCOc1ccc2cc[nH]c2c1 34a_100000036713_100011215473 [0,1,1,0,0,0|2,0,0]=4 1461 B19R2.21503 C=CCCCCCCOc1ccc2ncsc2c1 34a_100011995850_100011215473 [0,1,1,0,0,0|2,0,0]=4 1462 B19R2.21503 C=CCCCCCCOc1ccc2ncsc2c1 7a_100011995850_100011215473 [0,1,1,0,0,0|2,0,0]=4 1463 B19R2.21503 C=CCCCCCCSc1ccc2cc[nH]c2c1 62a_100011215473_100000743809 [0,1,1,0,0,0|2,0,0]=4 1464 B19R2.21503 C=CCCCCCCSc1ccc2nc[nH]c2n1 62a_100009820032_100011215473 [0,1,1,0,0,0|2,0,0]=4 1465 B19R2.21503 C=CCCCCCCSc1ccc2nc[nH]c2n1 62a_100011215473_100000077665 [0,1,1,0,0,0|2,0,0]=4 1466 B19R2.21503 C=CCCCCCCSc1ccc2ncoc2c1 62a_100011215473_100009817590 [0,1,1,0,0,0|2,0,0]=4 1467 B19R2.21503 C=CCCCCCCSc1ccc2ncsc2c1 62a_100009816678_100011215473 [0,1,1,0,0,0|2,0,0]=4 1468 B19R2.21503 C=CCCCCCCSc1ccc2ncsc2c1 62a_100011215473_100009816678 [0,1,1,0,0,0|2,0,0]=4 1469 B19R2.21503 C=CCCCCCCSc1ccc2nn[nH]c2c1 62a_100011215473_100009817464 [0,1,1,0,0,0|2,0,0]=4 1470 B19R2.21503 C=CCCCCCCSc1cnc2nc[nH]c2c1 62a_100011215473_100000760087 [0,1,1,0,0,0|2,0,0]=4 1471 B19R2.21503 C=CCCCCCNCc1ccc2occc2c1 2230a_100020591328_100000700193 [0,1,1,0,0,0|2,0,0]=4 1472 B19R2.21503 C=CCCCCCNCc1ccc2occc2c1 34a_100020591328_100000700193 [0,1,1,0,0,0|2,0,0]=4 1473 B19R2.21503 C=CCCCCCNCc1ccc2sccc2c1 2230a_100000732457_100000700193 [0,1,1,0,0,0|2,0,0]=4 1474 B19R2.21503 C=CCCCCCNCc1ccc2sccc2c1 34a_100000732457_100000700193 [0,1,1,0,0,0|2,0,0]=4 1475 B19R2.21503 C=CCCCCCOCc1ccc2ncoc2c1 34a_100011216702_106359897996 [0,1,1,0,0,0|2,0,0]=4 1476 B19R2.21503 C=CCCCCCOCc1ccc2ncoc2c1 7a_100011216702_106359897996 [0,1,1,0,0,0|2,0,0]=4 1477 B19R2.21503 C=CCCCCCOCc1ccc2ncsc2c1 34a_100011216702_100009847474 [0,1,1,0,0,0|2,0,0]=4 1478 B19R2.21503 C=CCCCCCOCc1ccc2ncsc2c1 7a_100011216702_100009847474 [0,1,1,0,0,0|2,0,0]=4 1479 B19R2.21503 C=CCCCCCSCc1ccc2ncoc2c1 62a_100000700193_106359897996 [0,1,1,0,0,0|2,0,0]=4 1480 B19R2.21503 C=CCCCCCSCc1ccc2ncoc2c1 62a_106359897996_100000700193 [0,1,1,0,0,0|2,0,0]=4 1481 B19R2.21503 C=CCCCCCSCc1ccc2ncsc2c1 62a_100000700193_100009847474 [0,1,1,0,0,0|2,0,0]=4 1482 B19R2.21503 C=CCCCCCSCc1ccc2ncsc2c1 62a_100009847474_100000700193 [0,1,1,0,0,0|2,0,0]=4 1483 B19R2.21503 C=COCCCCOCc1ccc2ncoc2c1 34a_100000031558_106359897996 [0,1,1,0,0,0|2,0,0]=4 1484 B19R2.21503 C=COCCCCOCc1ccc2ncoc2c1 7a_100000031558_106359897996 [0,1,1,0,0,0|2,0,0]=4 1485 B19R2.21503 C=COCCCCOCc1ccc2ncsc2c1 34a_100000031558_100009847474 [0,1,1,0,0,0|2,0,0]=4 1486 B19R2.21503 C=COCCCCOCc1ccc2ncsc2c1 7a_100000031558_100009847474 [0,1,1,0,0,0|2,0,0]=4 1487 B19R2.21503 CC/C=C/CCCOCc1ccc2ncoc2c1 34a_100016287902_106359897996 [0,1,1,0,0,0|2,0,0]=4 1488 B19R2.21503 CC/C=C/CCCOCc1ccc2ncoc2c1 7a_100016287902_106359897996 [0,1,1,0,0,0|2,0,0]=4 1489 B19R2.21503 CC/C=C/CCCOCc1ccc2ncsc2c1 34a_100016287902_100009847474 [0,1,1,0,0,0|2,0,0]=4 1490 B19R2.21503 CC/C=C/CCCOCc1ccc2ncsc2c1 7a_100016287902_100009847474 [0,1,1,0,0,0|2,0,0]=4 1491 B19R2.21503 CCCCCCCNCc1ccc2nc[nH]c2c1 207a_100000229938_100000059205 [0,1,1,0,0,0|0,0,2]=4 1492 B19R2.21503 CCCCCCCNCc1ccc2nc[nH]c2c1 270004a_100000229938_100000059205 [0,1,1,0,0,0|0,0,2]=4 1493 B19R2.21503 CCCCSCCNCc1ccc2nc[nH]c2c1 207a_100025743550_100000059205 [0,1,1,0,0,0|0,0,2]=4 1494 B19R2.21503 CCCCSCCNCc1ccc2nc[nH]c2c1 270004a_100025743550_100000059205 [0,1,1,0,0,0|0,0,2]=4 1495 B19R2.21503 CCCOCCCNCc1ccc2nc[nH]c2c1 207a_100011217757_100000059205 [0,1,1,0,0,0|0,0,2]=4 1496 B19R2.21503 CCCOCCCNCc1ccc2nc[nH]c2c1 270004a_100011217757_100000059205 [0,1,1,0,0,0|0,0,2]=4 1497 B19R2.21503 COCCCCCNCc1ccc2nc[nH]c2c1 207a_100000747528_100000059205 [0,1,1,0,0,0|0,0,2]=4 1498 B19R2.21503 COCCCCCNCc1ccc2nc[nH]c2c1 270004a_100000747528_100000059205 [0,1,1,0,0,0|0,0,2]=4 1499 B19R2.21503 COCCOCCNCc1ccc2nc[nH]c2c1 207a_100000745349_100000059205 [0,1,1,0,0,0|1,0,1]=4 1500 B19R2.21503 COCCOCCNCc1ccc2nc[nH]c2c1 270004a_100000745349_100000059205 [0,1,1,0,0,0|1,0,1]=4 1501 B19R2.21503 N#CCCCCCNCc1ccc2nc[nH]c2c1 270004a_100000061152_100000059205 [0,1,1,0,0,0|0,0,2]=4 1502 B19R2.21503 OCCCCCCNCc1ccc2nc[nH]c2c1 207a_100000686447_100000059205 [0,1,1,0,0,0|0,0,2]=4 1503 B19R2.21503 OCCCCCCNCc1ccc2nc[nH]c2c1 270004a_100000686447_100000059205 [0,1,1,0,0,0|0,0,2]=4 1504 B19R2.21503 [N-]=[N+]=NCCCCNCc1ccc2nc[nH]c2c1 270004a_100000101370_100000059205 [0,1,1,0,0,0|2,0,0]=4 1505 B19R2.27411 C=CCCCC(=O)NCc1ccc2cc[nH]c2c1 11a_100011912548_100000766728 [0,1,1,0,0,0|1,0,1]=4 1506 B19R2.27411 C=CCCCC(=O)NCc1ccc2cc[nH]c2c1 527a_100011912548_100000766728 [0,1,1,0,0,0|1,0,1]=4 1507 B19R2.27411 CC/C=C/CC(=O)NCc1ccc2cc[nH]c2c1 11a_100011912548_100016274230 [0,1,1,0,0,0|1,0,1]=4 1508 B19R2.27411 CC/C=C/CC(=O)NCc1ccc2cc[nH]c2c1 527a_100011912548_100016274230 [0,1,1,0,0,0|1,0,1]=4 1509 B19R2.27411 CCCCCC(C)NCc1ccc2nc[nH]c2c1 207a_100000211957_100000059205 [0,1,1,0,0,0|0,0,2]=4 1510 B19R2.27411 CCCCCC(C)NCc1ccc2nc[nH]c2c1 270004a_100000211957_100000059205 [0,1,1,0,0,0|0,0,2]=4 1511 B19R2.28739 C=CCCCCC(=O)Cc1ccc2cc[nH]c2c1 1458a_100000094508_100011215482 [0,1,1,0,0,0|2,0,0]=4 1512 B19R2.28739 C=CCCCCC(=O)Cc1ccc2nc[nH]c2c1 1458a_100000055147_100011215482 [0,1,1,0,0,0|1,0,0]=3 1513 B19R2.28739 C=CCCCCC(=O)Cc1ccc2ncoc2c1 1458a_100011215552_106359897996 [0,1,1,0,0,0|2,0,0]=4 1514 B19R2.28739 C=CCCCCC(=O)Cc1ccc2ncsc2c1 1458a_100011215552_100009847474 [0,1,1,0,0,0|2,0,0]=4 1515 B19R2.28739 C=CCCCCN(C)Cc1ccc2[nH]ccc2c1 2230a_100011912550_100011215482 [0,1,1,0,0,0|1,0,1]=4 1516 B19R2.28739 C=CCCCCN(C)Cc1ccc2[nH]ccc2c1 269982a_100011912550_100011215482 [0,1,1,0,0,0|1,0,1]=4 1517 B19R2.28739 C=CCCCCN(C)Cc1ccc2[nH]ccc2c1 270004a_100012000471_100011197475 [0,1,1,0,0,0|1,0,1]=4 1518 B19R2.28739 C=CCCCCN(C)Cc1ccc2cc[nH]c2c1 270004a_100012000471_100011218920 [0,1,1,0,0,0|1,0,0]=3 1519 B19R2.28739 C=CCCCCN(C)Cc1ccc2cc[nH]c2n1 270004a_100012000471_100000089654 [0,1,1,0,0,0|2,0,0]=4 1520 B19R2.28739 C=CCCCCN(C)Cc1ccc2ccsc2c1 270004a_100012000471_100000112508 [0,1,1,0,0,0|2,0,0]=4 1521 B19R2.28739 C=CCCCCN(C)Cc1ccc2cn[nH]c2c1 2230a_100012000471_100020605281 [0,1,1,0,0,0|2,0,0]=4 1522 B19R2.28739 C=CCCCCN(C)Cc1ccc2cn[nH]c2c1 269982a_100012000471_100020605281 [0,1,1,0,0,0|2,0,0]=4 1523 B19R2.28739 C=CCCCCN(C)Cc1ccc2cn[nH]c2c1 26a_100012000471_100000061304 [0,1,1,0,0,0|2,0,0]=4 1524 B19R2.28739 C=CCCCCN(C)Cc1ccc2cn[nH]c2c1 270004a_100012000471_100137314666 [0,1,1,0,0,0|2,0,0]=4 1525 B19R2.28739 C=CCCCCN(C)Cc1ccc2n[nH]cc2c1 270004a_100012000471_100000068381 [0,1,1,0,0,0|2,0,0]=4 1526 B19R2.28739 C=CCCCCN(C)Cc1ccc2nc[nH]c2c1 270004a_100012000471_100000059205 [0,1,1,0,0,0|0,0,0]=2 1527 B19R2.28739 C=CCCCCN(C)Cc1ccc2nccn2c1 270004a_100012000471_100000059712 [0,1,1,0,0,0|2,0,0]=4 1528 B19R2.28739 C=CCCCCN(C)Cc1ccc2ncnn2c1 270004a_100012000471_100000102685 [0,1,1,0,0,0|1,0,1]=4 1529 B19R2.28739 C=CCCCCN(C)Cc1ccc2ncoc2c1 2230a_100012000471_106359897996 [0,1,1,0,0,0|1,0,0]=3 1530 B19R2.28739 C=CCCCCN(C)Cc1ccc2ncoc2c1 270004a_100012000471_100000059852 [0,1,1,0,0,0|1,0,0]=3 1531 B19R2.28739 C=CCCCCN(C)Cc1ccc2ncsc2c1 2230a_100012000471_100009847474 [0,1,1,0,0,0|1,0,0]=3 1532 B19R2.28739 C=CCCCCN(C)Cc1ccc2ncsc2c1 269982a_100012000471_100009847474 [0,1,1,0,0,0|1,0,0]=3 1533 B19R2.28739 C=CCCCCN(C)Cc1ccc2ncsc2c1 270004a_100012000471_100009861089 [0,1,1,0,0,0|1,0,0]=3 1534 B19R2.28739 C=CCCCCN(C)Cc1ccc2nonc2c1 2230a_100012000471_100000733437 [0,1,1,0,0,0|1,0,1]=4 1535 B19R2.28739 C=CCCCCN(C)Cc1ccc2nonc2c1 269982a_100012000471_100000733437 [0,1,1,0,0,0|1,0,1]=4 1536 B19R2.28739 C=CCCCCN(C)Cc1ccc2nonc2c1 270004a_100012000471_100000042170 [0,1,1,0,0,0|1,0,1]=4 1537 B19R2.28739 C=CCCCCN(C)Cc1ccc2nsnc2c1 2230a_100012000471_100000187484 [0,1,1,0,0,0|1,0,1]=4 1538 B19R2.28739 C=CCCCCN(C)Cc1ccc2nsnc2c1 2230a_200015184571_100011215482 [0,1,1,0,0,0|1,0,1]=4 1539 B19R2.28739 C=CCCCCN(C)Cc1ccc2nsnc2c1 269982a_100012000471_100000187484 [0,1,1,0,0,0|1,0,1]=4 1540 B19R2.28739 C=CCCCCN(C)Cc1ccc2nsnc2c1 269982a_200015184571_100011215482 [0,1,1,0,0,0|1,0,1]=4 1541 B19R2.28739 C=CCCCCN(C)Cc1ccc2nsnc2c1 270004a_100012000471_100000042169 [0,1,1,0,0,0|1,0,1]=4 1542 B19R2.28739 C=CCCCCN(C)Cc1ccc2occc2c1 26a_100012000471_100000070125 [0,1,1,0,0,0|2,0,0]=4 1543 B19R2.28739 C=CCCCCN(C)Cc1ccc2occc2c1 270004a_100012000471_100000040644 [0,1,1,0,0,0|2,0,0]=4 1544 B19R2.28739 C=CCCCCN(C)Cc1ccc2ocnc2c1 2230a_100012000471_200010203175 [0,1,1,0,0,0|1,0,1]=4 1545 B19R2.28739 C=CCCCCN(C)Cc1ccc2ocnc2c1 270004a_100012000471_100010271902 [0,1,1,0,0,0|1,0,1]=4 1546 B19R2.28739 C=CCCCCN(C)Cc1ccc2sccc2c1 270004a_100012000471_100000050658 [0,1,1,0,0,0|2,0,0]=4 1547 B19R2.28739 C=CCCCCN(C)Cc1ccc2scnc2c1 270004a_100012000471_100000718305 [0,1,1,0,0,0|1,0,1]=4 1548 B19R2.28739 C=CCCCCN(C)Cc1ccn2nccc2c1 270004a_100012000471_100009861398 [0,1,1,0,0,0|2,0,0]=4 1549 B19R2.28739 C=CCCCCN(C)Cc1cnc2cc[nH]c2c1 270004a_100012000471_100000094745 [0,1,1,0,0,0|2,0,0]=4 1550 B19R2.28739 C=CCCCNC(=O)Cc1ccc2nc[nH]c2c1 240690a_100000700776_100000055147 [0,1,1,0,0,0|2,0,0]=4 1551 B19R2.28739 C=CCCCNC(=O)Cc1ccc2nc[nH]c2c1 527a_100000700776_100000055147 [0,1,1,0,0,0|2,0,0]=4 1552 B19R2.28739 CC/C=C\CCC(=O)Cc1ccc2cc[nH]c2c1 1458a_100000094508_100015370543 [0,1,1,0,0,0|2,0,0]=4 1553 B19R2.28739 CC/C=C\CCC(=O)Cc1ccc2nc[nH]c2c1 1458a_100000055147_100015370543 [0,1,1,0,0,0|1,0,0]=3 1554 B19R2.28739 CC/C=C\CCN(C)Cc1ccc2[nH]ccc2c1 2230a_100011912550_100015370543 [0,1,1,0,0,0|1,0,1]=4 1555 B19R2.28739 CC/C=C\CCN(C)Cc1ccc2[nH]ccc2c1 269982a_100011912550_100015370543 [0,1,1,0,0,0|1,0,1]=4 1556 B19R2.28739 CC/C=C\CCN(C)Cc1ccc2nsnc2c1 2230a_200015184571_100015370543 [0,1,1,0,0,0|1,0,1]=4 1557 B19R2.28739 CC/C=C\CCN(C)Cc1ccc2nsnc2c1 269982a_200015184571_100015370543 [0,1,1,0,0,0|1,0,1]=4 1558 B19R2.28739 CCCCCCN(C)Cc1ccc2nc[nH]c2c1 270004a_106256046315_100000059205 [0,1,1,0,0,0|0,0,2]=4 1559 B19R2.28739 CN(CCCCCO)Cc1ccc2nc[nH]c2c1 270004a_100000722520_100000059205 [0,1,1,0,0,0|1,0,1]=4 1560 B19R2.52036 C=CCCCCNC(=O)c1ccc2cc[nH]c2c1 11a_100000703577_100000739399 [0,1,1,0,0,0|1,0,1]=4 1561 B19R2.52036 C=CCCCCNC(=O)c1ccc2cc[nH]c2c1 527a_100000703577_100000739399 [0,1,1,0,0,0|1,0,1]=4 1562 B19R2.52036 C=CCCCCNC(=O)c1ccc2ncoc2c1 1626a_100000703577_100000750374 [0,1,1,0,0,0|1,0,1]=4 1563 B19R2.52036 C=CCCCCNC(=O)c1ccc2ncsc2c1 11a_100000703577_100000183663 [0,1,1,0,0,0|1,0,1]=4 1564 B19R2.52036 C=CCCCCNC(=O)c1ccc2ncsc2c1 1626a_100000703577_100000183663 [0,1,1,0,0,0|1,0,1]=4 1565 B19R2.52036 C=CCCCCNC(=O)c1ccc2ncsc2c1 240690a_100000703577_100000183663 [0,1,1,0,0,0|1,0,1]=4 1566 B19R2.52036 C=CCCCCNC(=O)c1ccc2ncsc2c1 527a_100000703577_100000183663 [0,1,1,0,0,0|1,0,1]=4 1567 B19R2.52036 C=CCCCCNC(C)c1ccc2[nH]ccc2c1 269862a_100000703577_100000035473 [0,1,1,0,0,0|1,0,1]=4 1568 B19R2.52036 C=CCCCCNC(C)c1ccc2cc[nH]c2c1 269862a_100000703577_200000045062 [0,1,1,0,0,0|1,0,0]=3 1569 B19R2.52036 C=CCCCCNC(C)c1ccc2cn[nH]c2c1 269862a_100000703577_200009882831 [0,1,1,0,0,0|2,0,0]=4 1570 B19R2.52036 C=CCCCCNC(C)c1ccc2nccn2c1 269862a_100000703577_100000099403 [0,1,1,0,0,0|2,0,0]=4 1571 B19R2.52036 C=CCCCCNC(C)c1ccc2scnc2c1 269862a_100000703577_100009842389 [0,1,1,0,0,0|1,0,1]=4 1572 B19R2.52036 C=COCCCNC(C)c1ccc2cc[nH]c2c1 269862a_100000210767_200000045062 [0,1,1,0,0,0|2,0,0]=4 1573 B19R2.52725 CCCOC(C)CNCc1ccc2nc[nH]c2c1 207a_100015185124_100000059205 [0,1,1,0,0,0|1,0,1]=4 1574 B19R2.52725 CCCOC(C)CNCc1ccc2nc[nH]c2c1 270004a_100015185124_100000059205 [0,1,1,0,0,0|1,0,1]=4 1575 B19R2.52725 CCOCC(O)CNCc1ccc2nc[nH]c2c1 207a_102515437182_100000059205 [0,1,1,0,0,0|1,0,1]=4 1576 B19R2.52725 CCOCC(O)CNCc1ccc2nc[nH]c2c1 270004a_102515437182_100000059205 [0,1,1,0,0,0|1,0,1]=4 1577 B19R2.52725 C[C@H](CCCO)CNCc1ccc2nc[nH]c2c1 207a_100160569302_100000059205 [0,1,1,0,0,0|1,0,1]=4 1578 B19R2.52725 C[C@H](CCCO)CNCc1ccc2nc[nH]c2c1 270004a_100160569302_100000059205 [0,1,1,0,0,0|1,0,1]=4 1579 B19R2.57083 C=CCCCCCSc1cc2[nH]cnc2cc1C 62a_100000700193_200010107306 [0,1,1,0,0,0|2,0,0]=4 1580 B19R2.57150 C=CCCCCCNc1ccc2ncn(c2c1)C 34a_100015183096_100000700193 [0,1,1,0,0,0|2,0,0]=4 1581 B19R2.57150 C=CCCCCCSc1ccc2ncn(c2c1)C 62a_100000700193_100000702186 [0,1,1,0,0,0|2,0,0]=4 1582 B19R2.57150 C=CCCCCNCc1ccc2ccn(c2c1)C 207a_100000703577_100011934850 [0,1,1,0,0,0|1,0,0]=3 1583 B19R2.57150 C=CCCCCNCc1ccc2ccn(c2c1)C 2230a_100011934852_100011215482 [0,1,1,0,0,0|1,0,0]=3 1584 B19R2.57150 C=CCCCCNCc1ccc2ccn(c2c1)C 270004a_100000703577_100011934850 [0,1,1,0,0,0|1,0,0]=3 1585 B19R2.57150 C=CCCCCNCc1ccc2ccn(c2c1)C 34a_100011934852_100011215482 [0,1,1,0,0,0|1,0,0]=3 1586 B19R2.57150 C=CCCCCNCc1ccc2cnn(c2c1)C 207a_100000703577_100000070339 [0,1,1,0,0,0|2,0,0]=4 1587 B19R2.57150 C=CCCCCNCc1ccc2cnn(c2c1)C 270004a_100000703577_100000070339 [0,1,1,0,0,0|2,0,0]=4 1588 B19R2.57150 C=CCCCCNCc1ccc2ncc(n2c1)Br 207a_100000703577_100010184421 [0,1,1,0,0,0|2,0,0]=4 1589 B19R2.57150 C=CCCCCNCc1ccc2ncc(n2c1)Br 270004a_100000703577_100010184421 [0,1,1,0,0,0|2,0,0]=4 1590 B19R2.57150 C=CCCCCOCc1ccc2ccn(c2c1)C 34a_100011934851_100011215482 [0,1,1,0,0,0|2,0,0]=4 1591 B19R2.57150 C=COCCCNCc1ccc2ccn(c2c1)C 207a_100000210767_100011934850 [0,1,1,0,0,0|2,0,0]=4 1592 B19R2.57150 C=COCCCNCc1ccc2ccn(c2c1)C 270004a_100000210767_100011934850 [0,1,1,0,0,0|2,0,0]=4 1593 B19R2.57150 CC/C=C\CCNCc1ccc2ccn(c2c1)C 2230a_100011934852_100015370543 [0,1,1,0,0,0|1,0,0]=3 1594 B19R2.57150 CC/C=C\CCNCc1ccc2ccn(c2c1)C 34a_100011934852_100015370543 [0,1,1,0,0,0|1,0,0]=3 1595 B19R2.57150 CC/C=C\CCOCc1ccc2ccn(c2c1)C 34a_100011934851_100015370543 [0,1,1,0,0,0|2,0,0]=4 1596 B19R2.57150 Cn1ccc2c1cc(cc2)CNCCCCC=O 2230a_100011934852_100000139335 [0,1,1,0,0,0|2,0,0]=4 1597 B19R2.112595 CC(=O)NCCCNCc1ccc2nc[nH]c2c1 207a_100000736810_100000059205 [0,1,1,0,0,0|1,0,1]=4 1598 B19R2.112595 CC(=O)NCCCNCc1ccc2nc[nH]c2c1 270004a_100000736810_100000059205 [0,1,1,0,0,0|1,0,1]=4 1599 B19R2.112595 CC(C)OCCCNCc1ccc2nc[nH]c2c1 207a_100000737246_100000059205 [0,1,1,0,0,0|1,0,1]=4 1600 B19R2.112595 CC(C)OCCCNCc1ccc2nc[nH]c2c1 270004a_100000737246_100000059205 [0,1,1,0,0,0|1,0,1]=4 1601 B19R2.112595 CN(C)CCCCNCc1ccc2nc[nH]c2c1 207a_100025707445_100000059205 [0,1,1,0,0,0|1,0,1]=4 1602 B19R2.112595 NC(=O)CCCCNCc1ccc2cc[nH]c2c1 207a_100000696515_100011218920 [0,1,1,0,0,0|2,0,0]=4 1603 B19R2.112595 NC(=O)CCCCNCc1ccc2cc[nH]c2c1 270004a_100000696515_100011218920 [0,1,1,0,0,0|2,0,0]=4 1604 B19R2.112595 NC(=O)CCCCNCc1ccc2nc[nH]c2c1 207a_100000696515_100000059205 [0,1,1,0,0,0|1,0,0]=3 1605 B19R2.112595 NC(=O)CCCCNCc1ccc2nc[nH]c2c1 270004a_100000696515_100000059205 [0,1,1,0,0,0|1,0,0]=3 1606 B19R2.112595 NC(=O)CCCCNCc1ccc2ncoc2c1 207a_100000696515_100000059852 [0,1,1,0,0,0|2,0,0]=4 1607 B19R2.112595 NC(=O)CCCCNCc1ccc2ncoc2c1 270004a_100000696515_100000059852 [0,1,1,0,0,0|2,0,0]=4 1608 B19R2.112595 NC(=O)CCCCNCc1ccc2ncoc2c1 34a_100000696515_106359897996 [0,1,1,0,0,0|2,0,0]=4 1609 B19R2.112595 NC(=O)CCCCNCc1ccc2ncsc2c1 207a_100000696515_100009861089 [0,1,1,0,0,0|2,0,0]=4 1610 B19R2.112595 NC(=O)CCCCNCc1ccc2ncsc2c1 270004a_100000696515_100009861089 [0,1,1,0,0,0|2,0,0]=4 1611 B19R2.112595 NC(=O)CCCCNCc1ccc2ncsc2c1 34a_100000696515_100009847474 [0,1,1,0,0,0|2,0,0]=4 1612 B19R2.116131 C=CCCCCCSc1cc(c2nc[nH]c2c1)C 62a_100000700193_100000239325 [0,1,1,0,0,0|2,0,0]=4 1613 B19R2.130694 CCNC(=O)CCNCc1ccc2cc[nH]c2c1 207a_100025743525_100011218920 [0,1,1,0,0,0|2,0,0]=4 1614 B19R2.130694 CCNC(=O)CCNCc1ccc2cc[nH]c2c1 270004a_100025743525_100011218920 [0,1,1,0,0,0|2,0,0]=4 1615 B19R2.130694 CCNC(=O)CCNCc1ccc2nc[nH]c2c1 207a_100025743525_100000059205 [0,1,1,0,0,0|1,0,0]=3 1616 B19R2.130694 CCNC(=O)CCNCc1ccc2nc[nH]c2c1 270004a_100025743525_100000059205 [0,1,1,0,0,0|1,0,0]=3 1617 B19R2.130694 CCNC(=O)CCNCc1ccc2ncoc2c1 207a_100025743525_100000059852 [0,1,1,0,0,0|2,0,0]=4 1618 B19R2.130694 CCNC(=O)CCNCc1ccc2ncoc2c1 270004a_100025743525_100000059852 [0,1,1,0,0,0|2,0,0]=4 1619 B19R2.130694 CCNC(=O)CCNCc1ccc2ncoc2c1 34a_100025743525_106359897996 [0,1,1,0,0,0|2,0,0]=4 1620 B19R2.130694 CCNC(=O)CCNCc1ccc2ncsc2c1 207a_100025743525_100009861089 [0,1,1,0,0,0|2,0,0]=4 1621 B19R2.130694 CCNC(=O)CCNCc1ccc2ncsc2c1 270004a_100025743525_100009861089 [0,1,1,0,0,0|2,0,0]=4 1622 B19R2.130694 CCNC(=O)CCNCc1ccc2ncsc2c1 34a_100025743525_100009847474 [0,1,1,0,0,0|2,0,0]=4 1623 B19R2.155010 C=CC(=O)NCCNCc1ccc2nc[nH]c2c1 207a_114873766552_100000059205 [0,1,1,0,0,0|1,0,1]=4 1624 B19R2.155010 CCC(=O)NCCNCc1ccc2cc[nH]c2c1 207a_100132302217_100011218920 [0,1,1,0,0,0|2,0,0]=4 1625 B19R2.155010 CCC(=O)NCCNCc1ccc2cc[nH]c2c1 270004a_100132302217_100011218920 [0,1,1,0,0,0|2,0,0]=4 1626 B19R2.155010 CCC(=O)NCCNCc1ccc2nc[nH]c2c1 207a_100132302217_100000059205 [0,1,1,0,0,0|1,0,0]=3 1627 B19R2.155010 CCC(=O)NCCNCc1ccc2nc[nH]c2c1 270004a_100132302217_100000059205 [0,1,1,0,0,0|1,0,0]=3 1628 B19R2.155010 CCC(=O)NCCNCc1ccc2ncoc2c1 207a_100132302217_100000059852 [0,1,1,0,0,0|2,0,0]=4 1629 B19R2.155010 CCC(=O)NCCNCc1ccc2ncoc2c1 270004a_100132302217_100000059852 [0,1,1,0,0,0|2,0,0]=4 1630 B19R2.155010 CCC(=O)NCCNCc1ccc2ncoc2c1 34a_100132302217_106359897996 [0,1,1,0,0,0|2,0,0]=4 1631 B19R2.155010 CCC(=O)NCCNCc1ccc2ncsc2c1 207a_100132302217_100009861089 [0,1,1,0,0,0|2,0,0]=4 1632 B19R2.155010 CCC(=O)NCCNCc1ccc2ncsc2c1 270004a_100132302217_100009861089 [0,1,1,0,0,0|2,0,0]=4 1633 B19R2.155010 CCC(=O)NCCNCc1ccc2ncsc2c1 34a_100132302217_100009847474 [0,1,1,0,0,0|2,0,0]=4 1634 B19R2.155010 CNC(=O)CCCNCc1ccc2nc[nH]c2c1 207a_100000740002_100000059205 [0,1,1,0,0,0|1,0,1]=4 1635 B19R2.155010 CNC(=O)CCCNCc1ccc2nc[nH]c2c1 270004a_100000740002_100000059205 [0,1,1,0,0,0|1,0,1]=4 1636 B19R2.155010 CNC(=O)NCCNCc1ccc2nc[nH]c2c1 207a_100015205895_100000059205 [0,1,1,0,0,0|2,0,0]=4 1637 B19R2.548246 C=CCCCCCSc1ccc2nc([nH]c2c1)Cl 62a_100000700193_100010204286 [0,1,1,0,0,0|2,0,0]=4 1638 B19R2.548246 C=CCCCCNCc1ccc2[nH]c(=O)[nH]c2c1 207a_100000703577_100000709728 [0,1,1,0,0,0|0,0,1]=3 1639 B19R2.548246 C=CCCCCNCc1ccc2[nH]c(=O)[nH]c2c1 2230a_100000697230_100011215482 [0,1,1,0,0,0|0,0,1]=3 1640 B19R2.548246 C=CCCCCNCc1ccc2[nH]c(=O)[nH]c2c1 270004a_100000703577_100000709728 [0,1,1,0,0,0|0,0,1]=3 1641 B19R2.548246 C=CCCCCNCc1ccc2[nH]c(cc2c1)C 207a_100000703577_100000050725 [0,1,1,0,0,0|1,0,1]=4 1642 B19R2.548246 C=CCCCCNCc1ccc2[nH]c(cc2c1)C 270004a_100000703577_100000050725 [0,1,1,0,0,0|1,0,1]=4 1643 B19R2.548246 C=CCCCCNCc1ccc2nc(oc2c1)C 207a_100000703577_100010272349 [0,1,1,0,0,0|1,0,0]=3 1644 B19R2.548246 C=CCCCCNCc1ccc2nc(oc2c1)C 270004a_100000703577_100010272349 [0,1,1,0,0,0|1,0,0]=3 1645 B19R2.548246 C=CCCCCNCc1ccc2nc(sc2c1)Br 270004a_100000703577_200010272093 [0,1,1,0,0,0|1,0,0]=3 1646 B19R2.548246 C=CCCCCNCc1ccc2sc(nc2c1)C 207a_100000703577_100000008629 [0,1,1,0,0,0|1,0,1]=4 1647 B19R2.548246 C=CCCCCNCc1ccc2sc(nc2c1)C 270004a_100000703577_100000008629 [0,1,1,0,0,0|1,0,1]=4 1648 B19R2.548246 C=CCCCCOCc1ccc2nc(oc2c1)C 34a_100010326561_100011215482 [0,1,1,0,0,0|2,0,0]=4 1649 B19R2.548246 C=CCCCCOCc1ccc2nc(oc2c1)C 7a_100010326561_100011215482 [0,1,1,0,0,0|2,0,0]=4 1650 B19R2.548246 C=CCCCCOCc1ccc2nc(sc2c1)N 7a_100012180491_100011215482 [0,1,1,0,0,0|2,0,0]=4 1651 B19R2.548246 C=COCCCNCc1ccc2[nH]c(=O)[nH]c2c1 207a_100000210767_100000709728 [0,1,1,0,0,0|1,0,1]=4 1652 B19R2.548246 C=COCCCNCc1ccc2[nH]c(=O)[nH]c2c1 270004a_100000210767_100000709728 [0,1,1,0,0,0|1,0,1]=4 1653 B19R2.548246 C=COCCCNCc1ccc2nc(oc2c1)C 207a_100000210767_100010272349 [0,1,1,0,0,0|2,0,0]=4 1654 B19R2.548246 C=COCCCNCc1ccc2nc(oc2c1)C 270004a_100000210767_100010272349 [0,1,1,0,0,0|2,0,0]=4 1655 B19R2.548246 C=COCCCNCc1ccc2nc(sc2c1)Br 270004a_100000210767_200010272093 [0,1,1,0,0,0|2,0,0]=4 1656 B19R2.548246 CC/C=C\CCNCc1ccc2[nH]c(=O)[nH]c2c1 2230a_100000697230_100015370543 [0,1,1,0,0,0|0,0,1]=3 1657 B19R2.548246 CC/C=C\CCOCc1ccc2nc(oc2c1)C 34a_100010326561_100015370543 [0,1,1,0,0,0|2,0,0]=4 1658 B19R2.548246 CC/C=C\CCOCc1ccc2nc(oc2c1)C 7a_100010326561_100015370543 [0,1,1,0,0,0|2,0,0]=4 1659 B19R2.548246 CC/C=C\CCOCc1ccc2nc(sc2c1)N 7a_100012180491_100015370543 [0,1,1,0,0,0|2,0,0]=4 1660 B19R2.548246 O=CCCCCNCc1ccc2[nH]c(=O)[nH]c2c1 2230a_100000697230_100000139335 [0,1,1,0,0,0|1,0,1]=4 1661 B19R2.548255 C=CCCCCNCc1ccc2c(c1)ccn2C 207a_100000703577_100011361496 [0,1,1,0,0,0|1,0,1]=4 1662 B19R2.548255 C=CCCCCNCc1ccc2c(c1)ccn2C 270004a_100000703577_100011361496 [0,1,1,0,0,0|1,0,1]=4 1663 B19R2.548255 C=CCCCCNCc1ccc2c(c1)ccn2C 34a_102125277283_100011215482 [0,1,1,0,0,0|1,0,1]=4 1664 B19R2.548255 C=CCCCCNCc1ccc2c(n[nH]c2c1)I 207a_100000703577_100010231508 [0,1,1,0,0,0|2,0,0]=4 1665 B19R2.548255 C=CCCCCNCc1ccc2c(n[nH]c2c1)I 270004a_100000703577_100010231508 [0,1,1,0,0,0|2,0,0]=4 1666 B19R2.548255 CC/C=C\CCNCc1ccc2c(c1)ccn2C 34a_102125277283_100015370543 [0,1,1,0,0,0|1,0,1]=4 1667 B19R2.204391 CCOC(CC)CNCc1ccc2nc[nH]c2c1 207a_100015183923_100000059205 [0,1,1,0,0,0|1,0,1]=4 1668 B19R2.204391 CCOC(CC)CNCc1ccc2nc[nH]c2c1 270004a_100015183923_100000059205 [0,1,1,0,0,0|1,0,1]=4 1669 B19R2.205079 CNC(=O)C(C)CNCc1ccc2cc[nH]c2c1 207a_100015187722_100011218920 [0,1,1,0,0,0|2,0,0]=4 1670 B19R2.205079 CNC(=O)C(C)CNCc1ccc2cc[nH]c2c1 270004a_100015187722_100011218920 [0,1,1,0,0,0|2,0,0]=4 1671 B19R2.205079 CNC(=O)C(C)CNCc1ccc2nc[nH]c2c1 207a_100015187722_100000059205 [0,1,1,0,0,0|1,0,0]=3 1672 B19R2.205079 CNC(=O)C(C)CNCc1ccc2nc[nH]c2c1 270004a_100015187722_100000059205 [0,1,1,0,0,0|1,0,0]=3 1673 B19R2.205079 CNC(=O)C(C)CNCc1ccc2ncoc2c1 207a_100015187722_100000059852 [0,1,1,0,0,0|2,0,0]=4 1674 B19R2.205079 CNC(=O)C(C)CNCc1ccc2ncoc2c1 2230a_100015187722_106359897996 [0,1,1,0,0,0|2,0,0]=4 1675 B19R2.205079 CNC(=O)C(C)CNCc1ccc2ncoc2c1 270004a_100015187722_100000059852 [0,1,1,0,0,0|2,0,0]=4 1676 B19R2.205079 CNC(=O)C(C)CNCc1ccc2ncoc2c1 34a_100015187722_106359897996 [0,1,1,0,0,0|2,0,0]=4 1677 B19R2.205079 CNC(=O)C(C)CNCc1ccc2ncsc2c1 207a_100015187722_100009861089 [0,1,1,0,0,0|2,0,0]=4 1678 B19R2.205079 CNC(=O)C(C)CNCc1ccc2ncsc2c1 2230a_100015187722_100009847474 [0,1,1,0,0,0|2,0,0]=4 1679 B19R2.205079 CNC(=O)C(C)CNCc1ccc2ncsc2c1 270004a_100015187722_100009861089 [0,1,1,0,0,0|2,0,0]=4 1680 B19R2.205079 CNC(=O)C(C)CNCc1ccc2ncsc2c1 34a_100015187722_100009847474 [0,1,1,0,0,0|2,0,0]=4 1681 B19R2.1071782 COCC(C)(C)CNCc1ccc2nc[nH]c2c1 207a_100000734190_100000059205 [0,1,1,0,0,0|1,0,1]=4 1682 B19R2.1071782 COCC(C)(C)CNCc1ccc2nc[nH]c2c1 270004a_100000734190_100000059205 [0,1,1,0,0,0|1,0,1]=4 1683 B19R2.1741628 CC(C)C(CO)CNCc1ccc2nc[nH]c2c1 207a_100000692819_100000059205 [0,1,1,0,0,0|1,0,1]=4 1684 B19R2.1741628 CC(C)C(CO)CNCc1ccc2nc[nH]c2c1 270004a_100000692819_100000059205 [0,1,1,0,0,0|1,0,1]=4 1685 B19R2.1741628 CCC(CNCc1ccc2nc[nH]c2c1)N(C)C 207a_100000738386_100000059205 [0,1,1,0,0,0|1,0,1]=4 1686 B19R2.1741628 CCC(CNCc1ccc2nc[nH]c2c1)N(C)C 270004a_100000738386_100000059205 [0,1,1,0,0,0|1,0,1]=4 1687 B19R3.92032 C=C1CC(C1)CNCc2ccc3cc[nH]c3c2 207a_100102567296_100011218920 [0,1,0,0,1,0|1,0,1]=4 1688 B19R3.92032 C=C1CC(C1)CNCc2ccc3cc[nH]c3c2 270004a_100102567296_100011218920 [0,1,0,0,1,0|1,0,1]=4 1689 B19R3.92032 C=C1CC(C1)CNCc2ccc3nc[nH]c3c2 207a_100102567296_100000059205 [0,1,0,0,1,0|0,0,1]=3 1690 B19R3.92032 C=C1CC(C1)CNCc2ccc3nc[nH]c3c2 270004a_100102567296_100000059205 [0,1,0,0,1,0|0,0,1]=3 1691 B19R3.92032 C=C1CC(C1)CNCc2ccc3ncoc3c2 207a_100102567296_100000059852 [0,1,0,0,1,0|1,0,1]=4 1692 B19R3.92032 C=C1CC(C1)CNCc2ccc3ncoc3c2 2230a_100102567296_106359897996 [0,1,0,0,1,0|1,0,1]=4 1693 B19R3.92032 C=C1CC(C1)CNCc2ccc3ncoc3c2 270004a_100102567296_100000059852 [0,1,0,0,1,0|1,0,1]=4 1694 B19R3.92032 C=C1CC(C1)CNCc2ccc3ncoc3c2 34a_100102567296_106359897996 [0,1,0,0,1,0|1,0,1]=4 1695 B19R3.92032 C=C1CC(C1)CNCc2ccc3ncsc3c2 207a_100102567296_100009861089 [0,1,0,0,1,0|1,0,1]=4 1696 B19R3.92032 C=C1CC(C1)CNCc2ccc3ncsc3c2 2230a_100102567296_100009847474 [0,1,0,0,1,0|1,0,1]=4 1697 B19R3.92032 C=C1CC(C1)CNCc2ccc3ncsc3c2 270004a_100102567296_100009861089 [0,1,0,0,1,0|1,0,1]=4 1698 B19R3.92032 C=C1CC(C1)CNCc2ccc3ncsc3c2 34a_100102567296_100009847474 [0,1,0,0,1,0|1,0,1]=4 1699 B19R3.92032 CN1CC(C1)CNCc2ccc3nc[nH]c3c2 270004a_100000723568_100000059205 [0,1,0,0,1,0|1,0,1]=4 1700 B19R3.92032 OC1CC(C1)CNCc2ccc3cc[nH]c3c2 207a_100016992100_100011218920 [0,1,0,0,1,0|1,0,1]=4 1701 B19R3.92032 OC1CC(C1)CNCc2ccc3cc[nH]c3c2 270004a_100016992100_100011218920 [0,1,0,0,1,0|1,0,1]=4 1702 B19R3.92032 OC1CC(C1)CNCc2ccc3nc[nH]c3c2 207a_100016992100_100000059205 [0,1,0,0,1,0|0,0,1]=3 1703 B19R3.92032 OC1CC(C1)CNCc2ccc3nc[nH]c3c2 270004a_100016992100_100000059205 [0,1,0,0,1,0|0,0,1]=3 1704 B19R3.92032 OC1CC(C1)CNCc2ccc3ncoc3c2 207a_100016992100_100000059852 [0,1,0,0,1,0|1,0,1]=4 1705 B19R3.92032 OC1CC(C1)CNCc2ccc3ncoc3c2 2230a_100016992100_106359897996 [0,1,0,0,1,0|1,0,1]=4 1706 B19R3.92032 OC1CC(C1)CNCc2ccc3ncoc3c2 270004a_100016992100_100000059852 [0,1,0,0,1,0|1,0,1]=4 1707 B19R3.92032 OC1CC(C1)CNCc2ccc3ncsc3c2 207a_100016992100_100009861089 [0,1,0,0,1,0|1,0,1]=4 1708 B19R3.92032 OC1CC(C1)CNCc2ccc3ncsc3c2 2230a_100016992100_100009847474 [0,1,0,0,1,0|1,0,1]=4 1709 B19R3.92032 OC1CC(C1)CNCc2ccc3ncsc3c2 270004a_100016992100_100009861089 [0,1,0,0,1,0|1,0,1]=4 1710 B19R3.150214 Brc1nc2ccc(cc2s1)CNCC3CCC3 270004a_100000738700_200010272093 [0,1,0,0,1,0|1,0,1]=4 1711 B19R3.150214 Brc1nc2ccc(cc2s1)CNC[C@@H]3CCO3 270004a_100020831831_200010272093 [0,1,0,0,1,0|2,0,0]=4 1712 B19R3.150214 Cc1nc2ccc(cc2o1)CNCC3CCC3 207a_100000738700_100010272349 [0,1,0,0,1,0|1,0,1]=4 1713 B19R3.150214 Cc1nc2ccc(cc2o1)CNCC3CCC3 270004a_100000738700_100010272349 [0,1,0,0,1,0|1,0,1]=4 1714 B19R3.150214 Cc1nc2ccc(cc2o1)CNC[C@@H]3CCO3 207a_100020831831_100010272349 [0,1,0,0,1,0|2,0,0]=4 1715 B19R3.150214 Cc1nc2ccc(cc2o1)CNC[C@@H]3CCO3 270004a_100020831831_100010272349 [0,1,0,0,1,0|2,0,0]=4 1716 B19R3.150214 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCC3 207a_100000738700_100000709728 [0,1,0,0,1,0|0,0,2]=4 1717 B19R3.150214 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCC3 2230a_100000697230_100000763275 [0,1,0,0,1,0|0,0,2]=4 1718 B19R3.150214 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCC3 270004a_100000738700_100000709728 [0,1,0,0,1,0|0,0,2]=4 1719 B19R3.150214 O=c1[nH]c2ccc(cc2[nH]1)CNCC3CCO3 2230a_100000697230_100000103362 [0,1,0,0,1,0|1,0,1]=4 1720 B19R3.150214 O=c1[nH]c2ccc(cc2[nH]1)CNC[C@@H]3CCO3 207a_100020831831_100000709728 [0,1,0,0,1,0|1,0,1]=4 1721 B19R3.150214 O=c1[nH]c2ccc(cc2[nH]1)CNC[C@@H]3CCO3 270004a_100020831831_100000709728 [0,1,0,0,1,0|1,0,1]=4 1722 B19R3.680846 CN(Cc1ccc2cc[nH]c2c1)CC3CCC3 270004a_200000750244_100011218920 [0,1,0,0,1,0|1,0,1]=4 1723 B19R3.680846 CN(Cc1ccc2nc[nH]c2c1)CC3CCC3 270004a_200000750244_100000059205 [0,1,0,0,1,0|0,0,1]=3 1724 B19R3.680846 CN(Cc1ccc2ncoc2c1)CC3CCC3 2230a_200000750244_106359897996 [0,1,0,0,1,0|1,0,1]=4 1725 B19R3.680846 CN(Cc1ccc2ncoc2c1)CC3CCC3 270004a_200000750244_100000059852 [0,1,0,0,1,0|1,0,1]=4 1726 B19R3.680846 CN(Cc1ccc2ncoc2c1)CC3CCC3 34a_200000750244_106359897996 [0,1,0,0,1,0|1,0,1]=4 1727 B19R3.680846 CN(Cc1ccc2ncsc2c1)CC3CCC3 2230a_200000750244_100009847474 [0,1,0,0,1,0|1,0,1]=4 1728 B19R3.680846 CN(Cc1ccc2ncsc2c1)CC3CCC3 269982a_200000750244_100009847474 [0,1,0,0,1,0|1,0,1]=4 1729 B19R3.680846 CN(Cc1ccc2ncsc2c1)CC3CCC3 270004a_200000750244_100009861089 [0,1,0,0,1,0|1,0,1]=4 1730 B19R3.680846 CN(Cc1ccc2ncsc2c1)CC3CCC3 34a_200000750244_100009847474 [0,1,0,0,1,0|1,0,1]=4 1731 B19R3.680846 O=C(Cc1ccc2nc[nH]c2c1)CC3CCC3 1458a_100000055147_100000763275 [0,1,0,0,1,0|1,0,1]=4 1732 B19R3.680846 O=C(Cc1ccc2nc[nH]c2c1)CC3CCO3 1458a_100000055147_100000103362 [0,1,0,0,1,0|2,0,0]=4 1733 B19R3.1696792 CC(NCc1ccc2cc[nH]c2c1)C3CCC3 207a_100016994624_100011218920 [0,1,0,0,1,0|1,0,1]=4 1734 B19R3.1696792 CC(NCc1ccc2cc[nH]c2c1)C3CCC3 269862a_100011912548_100000760154 [0,1,0,0,1,0|1,0,1]=4 1735 B19R3.1696792 CC(NCc1ccc2cc[nH]c2c1)C3CCC3 270004a_100016994624_100011218920 [0,1,0,0,1,0|1,0,1]=4 1736 B19R3.1696792 CC(NCc1ccc2nc[nH]c2c1)C3CCC3 207a_100016994624_100000059205 [0,1,0,0,1,0|0,0,1]=3 1737 B19R3.1696792 CC(NCc1ccc2nc[nH]c2c1)C3CCC3 270004a_100016994624_100000059205 [0,1,0,0,1,0|0,0,1]=3 1738 B19R3.1696792 CC(NCc1ccc2ncoc2c1)C3CCC3 207a_100016994624_100000059852 [0,1,0,0,1,0|1,0,1]=4 1739 B19R3.1696792 CC(NCc1ccc2ncoc2c1)C3CCC3 2230a_100016994624_106359897996 [0,1,0,0,1,0|1,0,1]=4 1740 B19R3.1696792 CC(NCc1ccc2ncoc2c1)C3CCC3 270004a_100016994624_100000059852 [0,1,0,0,1,0|1,0,1]=4 1741 B19R3.1696792 CC(NCc1ccc2ncoc2c1)C3CCC3 34a_100016994624_106359897996 [0,1,0,0,1,0|1,0,1]=4 1742 B19R3.1696792 CC(NCc1ccc2ncsc2c1)C3CCC3 207a_100016994624_100009861089 [0,1,0,0,1,0|1,0,1]=4 1743 B19R3.1696792 CC(NCc1ccc2ncsc2c1)C3CCC3 2230a_100016994624_100009847474 [0,1,0,0,1,0|1,0,1]=4 1744 B19R3.1696792 CC(NCc1ccc2ncsc2c1)C3CCC3 270004a_100016994624_100009861089 [0,1,0,0,1,0|1,0,1]=4 1745 B19R3.1696792 CC(NCc1ccc2ncsc2c1)C3CCC3 34a_100016994624_100009847474 [0,1,0,0,1,0|1,0,1]=4 1746 B19R3.2064129 CC(NCC1CCC1)c2ccc3cc[nH]c3c2 269862a_100000738700_200000045062 [0,1,0,0,1,0|1,0,1]=4 1747 B19R3.2064129 CC(NC[C@@H]1CCO1)c2ccc3cc[nH]c3c2 269862a_100020831831_200000045062 [0,1,0,0,1,0|2,0,0]=4 1748 B19R3.2196361 CC1(CCC1)CNCc2ccc3cc[nH]c3c2 207a_100000706607_100011218920 [0,1,0,0,1,0|1,0,1]=4 1749 B19R3.2196361 CC1(CCC1)CNCc2ccc3cc[nH]c3c2 270004a_100000706607_100011218920 [0,1,0,0,1,0|1,0,1]=4 1750 B19R3.2196361 CC1(CCC1)CNCc2ccc3nc[nH]c3c2 207a_100000706607_100000059205 [0,1,0,0,1,0|0,0,1]=3 1751 B19R3.2196361 CC1(CCC1)CNCc2ccc3nc[nH]c3c2 270004a_100000706607_100000059205 [0,1,0,0,1,0|0,0,1]=3 1752 B19R3.2196361 CC1(CCC1)CNCc2ccc3ncoc3c2 207a_100000706607_100000059852 [0,1,0,0,1,0|1,0,1]=4 1753 B19R3.2196361 CC1(CCC1)CNCc2ccc3ncoc3c2 2230a_100000706607_106359897996 [0,1,0,0,1,0|1,0,1]=4 1754 B19R3.2196361 CC1(CCC1)CNCc2ccc3ncoc3c2 270004a_100000706607_100000059852 [0,1,0,0,1,0|1,0,1]=4 1755 B19R3.2196361 CC1(CCC1)CNCc2ccc3ncsc3c2 207a_100000706607_100009861089 [0,1,0,0,1,0|1,0,1]=4 1756 B19R3.2196361 CC1(CCC1)CNCc2ccc3ncsc3c2 2230a_100000706607_100009847474 [0,1,0,0,1,0|1,0,1]=4 1757 B19R3.2196361 CC1(CCC1)CNCc2ccc3ncsc3c2 270004a_100000706607_100009861089 [0,1,0,0,1,0|1,0,1]=4 1758 B19R3.2196361 CC1(COC1)CNCc2ccc3nc[nH]c3c2 207a_100020631278_100000059205 [0,1,0,0,1,0|1,0,1]=4 1759 B19R3.2196361 CC1(COC1)CNCc2ccc3nc[nH]c3c2 270004a_100020631278_100000059205 [0,1,0,0,1,0|1,0,1]=4 1760 B19R3.2196361 OC1(CCC1)CNCc2ccc3cc[nH]c3c2 207a_100000752638_100011218920 [0,1,0,0,1,0|1,0,1]=4 1761 B19R3.2196361 OC1(CCC1)CNCc2ccc3cc[nH]c3c2 270004a_100000752638_100011218920 [0,1,0,0,1,0|1,0,1]=4 1762 B19R3.2196361 OC1(CCC1)CNCc2ccc3nc[nH]c3c2 207a_100000752638_100000059205 [0,1,0,0,1,0|0,0,1]=3 1763 B19R3.2196361 OC1(CCC1)CNCc2ccc3nc[nH]c3c2 270004a_100000752638_100000059205 [0,1,0,0,1,0|0,0,1]=3 1764 B19R3.2196361 OC1(CCC1)CNCc2ccc3ncoc3c2 207a_100000752638_100000059852 [0,1,0,0,1,0|1,0,1]=4 1765 B19R3.2196361 OC1(CCC1)CNCc2ccc3ncoc3c2 2230a_100000752638_106359897996 [0,1,0,0,1,0|1,0,1]=4 1766 B19R3.2196361 OC1(CCC1)CNCc2ccc3ncoc3c2 270004a_100000752638_100000059852 [0,1,0,0,1,0|1,0,1]=4 1767 B19R3.2196361 OC1(CCC1)CNCc2ccc3ncsc3c2 207a_100000752638_100009861089 [0,1,0,0,1,0|1,0,1]=4 1768 B19R3.2196361 OC1(CCC1)CNCc2ccc3ncsc3c2 2230a_100000752638_100009847474 [0,1,0,0,1,0|1,0,1]=4 1769 B19R3.2196361 OC1(CCC1)CNCc2ccc3ncsc3c2 270004a_100000752638_100009861089 [0,1,0,0,1,0|1,0,1]=4 1770 B19R3.2196361 OC1(COC1)CNCc2ccc3nc[nH]c3c2 207a_100010264505_100000059205 [0,1,0,0,1,0|1,0,1]=4 1771 B19R3.2196361 OC1(COC1)CNCc2ccc3nc[nH]c3c2 270004a_100010264505_100000059205 [0,1,0,0,1,0|1,0,1]=4 1772 B19R3.7688754 Cn1ccc2c1cc(cc2)CNCC3CCC3 207a_100000738700_100011934850 [0,1,0,0,1,0|1,0,1]=4 1773 B19R3.7688754 Cn1ccc2c1cc(cc2)CNCC3CCC3 2230a_100011934852_100000763275 [0,1,0,0,1,0|1,0,1]=4 1774 B19R3.7688754 Cn1ccc2c1cc(cc2)CNCC3CCC3 269862a_100011934852_100000753134 [0,1,0,0,1,0|1,0,1]=4 1775 B19R3.7688754 Cn1ccc2c1cc(cc2)CNCC3CCC3 270004a_100000738700_100011934850 [0,1,0,0,1,0|1,0,1]=4 1776 B19R3.7688754 Cn1ccc2c1cc(cc2)CNCC3CCC3 34a_100011934852_100000763275 [0,1,0,0,1,0|1,0,1]=4 1777 B19R3.7688754 Cn1ccc2c1cc(cc2)CNCC3CCO3 2230a_100011934852_100000103362 [0,1,0,0,1,0|2,0,0]=4 1778 B19R3.7688754 Cn1ccc2c1cc(cc2)CNCC3CCO3 34a_100011934852_100000103362 [0,1,0,0,1,0|2,0,0]=4 1779 B19R3.7688754 Cn1ccc2c1cc(cc2)CNC[C@@H]3CCO3 207a_100020831831_100011934850 [0,1,0,0,1,0|2,0,0]=4 1780 B19R3.7688754 Cn1ccc2c1cc(cc2)CNC[C@@H]3CCO3 270004a_100020831831_100011934850 [0,1,0,0,1,0|2,0,0]=4 1781 B19R3.10816 CN(Cc1ccc2nc[nH]c2c1)C3CCCC3 270004a_100000207505_100000059205 [0,1,0,0,1,0|0,0,2]=4 1782 B19R3.10816 CN(Cc1ccc2nc[nH]c2c1)C3CCOC3 270004a_100016988252_100000059205 [0,1,0,0,1,0|1,0,1]=4 1783 B19R3.51233 CN1CCC(C1)NCc2ccc3nc[nH]c3c2 207a_100000744687_100000059205 [0,1,0,0,1,0|1,0,1]=4 1784 B19R3.51233 CN1CCC(C1)NCc2ccc3nc[nH]c3c2 270004a_100000744687_100000059205 [0,1,0,0,1,0|1,0,1]=4 1785 B19R3.51233 O=C1CC(CN1)NCc2ccc3nc[nH]c3c2 207a_100000697751_100000059205 [0,1,0,0,1,0|1,0,1]=4 1786 B19R3.51233 O[C@@H]1CC[C@@H](C1)NCc2ccc3nc[nH]c3c2 207a_100015195300_100000059205 [0,1,0,0,1,0|0,0,2]=4 1787 B19R3.51233 O[C@@H]1CC[C@@H](C1)NCc2ccc3nc[nH]c3c2 270004a_100015195300_100000059205 [0,1,0,0,1,0|0,0,2]=4 1788 B19R3.76908 O=C1NCCC1NCc2ccc3cc[nH]c3c2 270004a_100016995588_100011218920 [0,1,0,0,1,0|2,0,0]=4 1789 B19R3.76908 O=C1NCCC1NCc2ccc3nc[nH]c3c2 270004a_100016995588_100000059205 [0,1,0,0,1,0|1,0,0]=3 1790 B19R3.76908 O=C1NCCC1NCc2ccc3ncoc3c2 2230a_100016995588_106359897996 [0,1,0,0,1,0|2,0,0]=4 1791 B19R3.76908 O=C1NCCC1NCc2ccc3ncoc3c2 270004a_100016995588_100000059852 [0,1,0,0,1,0|2,0,0]=4 1792 B19R3.76908 O=C1NCCC1NCc2ccc3ncoc3c2 34a_100016995588_106359897996 [0,1,0,0,1,0|2,0,0]=4 1793 B19R3.76908 O=C1NCCC1NCc2ccc3ncsc3c2 2230a_100016995588_100009847474 [0,1,0,0,1,0|2,0,0]=4 1794 B19R3.76908 O=C1NCCC1NCc2ccc3ncsc3c2 270004a_100016995588_100009861089 [0,1,0,0,1,0|2,0,0]=4 1795 B19R3.76908 O=C1NCCC1NCc2ccc3ncsc3c2 34a_100016995588_100009847474 [0,1,0,0,1,0|2,0,0]=4 1796 B19R3.76908 O=C1NOC[C@H]1NCc2ccc3nc[nH]c3c2 270004a_100000765999_100000059205 [0,1,0,0,1,0|2,0,0]=4 1797 B19R3.76908 O[C@H]1CCC[C@@H]1NCc2ccc3nc[nH]c3c2 207a_100000748460_100000059205 [0,1,0,0,1,0|0,0,2]=4 1798 B19R3.76908 O[C@H]1CCC[C@@H]1NCc2ccc3nc[nH]c3c2 270004a_100000748460_100000059205 [0,1,0,0,1,0|0,0,2]=4 1799 B19R3.76908 O[C@H]1COC[C@@H]1NCc2ccc3nc[nH]c3c2 207a_100015191717_100000059205 [0,1,0,0,1,0|1,0,1]=4 1800 B19R3.76908 O[C@H]1COC[C@@H]1NCc2ccc3nc[nH]c3c2 270004a_100015191717_100000059205 [0,1,0,0,1,0|1,0,1]=4 1801 B19R3.2382603 CC1(CCOC1)NCc2ccc3nc[nH]c3c2 207a_100000693475_100000059205 [0,1,0,0,1,0|1,0,1]=4 1802 B19R3.2382603 CC1(CCOC1)NCc2ccc3nc[nH]c3c2 270004a_100000693475_100000059205 [0,1,0,0,1,0|1,0,1]=4 1803 B19R3.2418748 Cn1cnc2c1cc(cc2)NCC3CCCC3 34a_100015183096_100000740388 [0,1,0,0,1,0|0,0,2]=4 1804 B19R3.2418748 Cn1cnc2c1cc(cc2)NCC3CCOC3 34a_100015183096_100011261433 [0,1,0,0,1,0|1,0,1]=4 1805 B21R3.168812 CN1CCCC1CCNCc2ccc3nc[nH]c3c2 207a_100011219722_100000059205 [0,1,0,0,0,1|1,0,1]=4 1806 B21R3.168812 CN1CCCC1CCNCc2ccc3nc[nH]c3c2 270004a_100011219722_100000059205 [0,1,0,0,0,1|1,0,1]=4 1807 B21R3.168812 O=C1CCCN1CCNCc2ccc3nc[nH]c3c2 207a_100011200922_100000059205 [0,1,0,0,0,1|1,0,1]=4 1808 B21R3.168812 O=C1CCCN1CCNCc2ccc3nc[nH]c3c2 270004a_100011200922_100000059205 [0,1,0,0,0,1|1,0,1]=4 1809 B21R3.168812 O=C1NCCN1CCNCc2ccc3nc[nH]c3c2 207a_100011207550_100000059205 [0,1,0,0,0,1|2,0,0]=4 1810 B21R3.168812 O=C1NCCN1CCNCc2ccc3nc[nH]c3c2 270004a_100011207550_100000059205 [0,1,0,0,0,1|2,0,0]=4 1811 B21R3.2280479 CC(CC1C=CCC1)NCc2ccc3[nH]ccc3c2 270004a_100011837653_100000116859 [0,1,0,0,0,1|1,0,1]=4 1812 B21R3.2280479 CC(CC1C=CCC1)NCc2ccc3cc[nH]c3c2 270004a_100011912548_100000116859 [0,1,0,0,0,1|1,0,0]=3 1813 B21R3.2280479 CC(CC1C=CCC1)NCc2ccc3cn[nH]c3c2 270004a_100011769419_100000116859 [0,1,0,0,0,1|2,0,0]=4 1814 B21R3.2280479 CC(CC1C=CCC1)NCc2ccc3nonc3c2 270004a_100015186617_100000116859 [0,1,0,0,0,1|1,0,1]=4 1815 B21R3.2280479 CC(CC1C=CCC1)NCc2ccc3occc3c2 270004a_100020591328_100000116859 [0,1,0,0,0,1|2,0,0]=4 1816 B21R3.2280479 CC(CC1C=CCC1)NCc2ccc3sccc3c2 270004a_100000732457_100000116859 [0,1,0,0,0,1|2,0,0]=4 1817 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3[nH]ccc3c2 11a_100011837653_100000212241 [0,1,0,0,0,1|1,0,1]=4 1818 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3[nH]ccc3c2 240690a_100011837653_100000212241 [0,1,0,0,0,1|1,0,1]=4 1819 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3[nH]ccc3c2 527a_100011837653_100000212241 [0,1,0,0,0,1|1,0,1]=4 1820 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3cc[nH]c3c2 11a_100011912548_100000212241 [0,1,0,0,0,1|1,0,0]=3 1821 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3cc[nH]c3c2 527a_100011912548_100000212241 [0,1,0,0,0,1|1,0,0]=3 1822 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3cn[nH]c3c2 240690a_100011769419_100000212241 [0,1,0,0,0,1|2,0,0]=4 1823 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3cn[nH]c3c2 527a_100011769419_100000212241 [0,1,0,0,0,1|2,0,0]=4 1824 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3nonc3c2 240690a_100015186617_100000212241 [0,1,0,0,0,1|1,0,1]=4 1825 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3nsnc3c2 1626a_200020606664_100000212241 [0,1,0,0,0,1|1,0,1]=4 1826 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3nsnc3c2 240690a_200020606664_100000212241 [0,1,0,0,0,1|1,0,1]=4 1827 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3nsnc3c2 527a_200020606664_100000212241 [0,1,0,0,0,1|1,0,1]=4 1828 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3occc3c2 11a_100020591328_100000212241 [0,1,0,0,0,1|2,0,0]=4 1829 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3occc3c2 1626a_100020591328_100000212241 [0,1,0,0,0,1|2,0,0]=4 1830 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3occc3c2 240690a_100020591328_100000212241 [0,1,0,0,0,1|2,0,0]=4 1831 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3occc3c2 527a_100020591328_100000212241 [0,1,0,0,0,1|2,0,0]=4 1832 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3sccc3c2 11a_100000732457_100000212241 [0,1,0,0,0,1|2,0,0]=4 1833 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3sccc3c2 1626a_100000732457_100000212241 [0,1,0,0,0,1|2,0,0]=4 1834 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3sccc3c2 240690a_100000732457_100000212241 [0,1,0,0,0,1|2,0,0]=4 1835 B21R3.2280479 O=C(CC1C=CCC1)NCc2ccc3sccc3c2 527a_100000732457_100000212241 [0,1,0,0,0,1|2,0,0]=4 1836 B21R3.2280783 O=C(Cc1ccc2nc[nH]c2c1)NCC3CCCC3 240690a_100000737975_100000055147 [0,1,0,0,0,1|0,0,2]=4 1837 B21R3.2280783 O=C(Cc1ccc2nc[nH]c2c1)NCC3CCCC3 527a_100000737975_100000055147 [0,1,0,0,0,1|0,0,2]=4 1838 B21R3.2280783 O=C(Cc1ccc2nc[nH]c2c1)NCC3CCOC3 240690a_100000737293_100000055147 [0,1,0,0,0,1|1,0,1]=4 1839 B21R3.2280783 O=C(Cc1ccc2nc[nH]c2c1)NCC3CCOC3 527a_100000737293_100000055147 [0,1,0,0,0,1|1,0,1]=4 1840 B21R3.2280783 O=C(Cc1ccc2nc[nH]c2c1)NC[C@@H]3CCCO3 240690a_100020590478_100000055147 [0,1,0,0,0,1|1,0,1]=4 1841 B21R3.2280783 O=C(Cc1ccc2nc[nH]c2c1)NC[C@@H]3CCCO3 527a_100020590478_100000055147 [0,1,0,0,0,1|1,0,1]=4 1842 B21R3.4617214 OC1(CCCC1)CCNCc2ccc3nc[nH]c3c2 207a_100000719956_100000059205 [0,1,0,0,0,1|0,0,2]=4 1843 B21R3.4617214 OC1(CCCC1)CCNCc2ccc3nc[nH]c3c2 270004a_100000719956_100000059205 [0,1,0,0,0,1|0,0,2]=4 1844 B21R3.30789 CC1CCC(CC1)CNCc2ccc3nc[nH]c3c2 207a_103436935547_100000059205 [0,1,0,0,0,1|0,0,2]=4 1845 B21R3.30789 CC1CCC(CC1)CNCc2ccc3nc[nH]c3c2 270004a_103436935547_100000059205 [0,1,0,0,0,1|0,0,2]=4 1846 B21R3.30789 CN1CCC(CC1)CNCc2ccc3nc[nH]c3c2 207a_100000746316_100000059205 [0,1,0,0,0,1|0,0,2]=4 1847 B21R3.30789 CN1CCC(CC1)CNCc2ccc3nc[nH]c3c2 270004a_100000746316_100000059205 [0,1,0,0,0,1|0,0,2]=4 1848 B21R3.41536 CC(NCc1ccc2nc[nH]c2c1)C3=CCCCC3 207a_200015185932_100000059205 [0,1,0,0,0,1|0,0,2]=4 1849 B21R3.41536 CC(NCc1ccc2nc[nH]c2c1)C3=CCCCC3 270004a_200015185932_100000059205 [0,1,0,0,0,1|0,0,2]=4 1850 B21R3.41536 C[C@@H](NCc1ccc2nc[nH]c2c1)C3CCCCC3 207a_100025707633_100000059205 [0,1,0,0,0,1|0,0,2]=4 1851 B21R3.41536 C[C@@H](NCc1ccc2nc[nH]c2c1)C3CCCCC3 270004a_100025707633_100000059205 [0,1,0,0,0,1|0,0,2]=4 1852 B21R3.41536 O=C(NCc1ccc2cc[nH]c2c1)[C@H]3CC=CCC3 11a_100011912548_100009820709 [0,1,0,0,0,1|1,0,1]=4 1853 B21R3.41536 O=C(NCc1ccc2cc[nH]c2c1)[C@H]3CC=CCC3 527a_100011912548_100009820709 [0,1,0,0,0,1|1,0,1]=4 1854 B21R3.159709 CC1CC=CCC1CNCc2ccc3[nH]ccc3c2 269862a_100011837653_100000117039 [0,1,0,0,0,1|1,0,1]=4 1855 B21R3.159709 CC1CC=CCC1CNCc2ccc3[nH]ccc3c2 270004a_100011837653_100000117039 [0,1,0,0,0,1|1,0,1]=4 1856 B21R3.159709 CC1CC=CCC1CNCc2ccc3cc[nH]c3c2 269862a_100011912548_100000117039 [0,1,0,0,0,1|1,0,0]=3 1857 B21R3.159709 CC1CC=CCC1CNCc2ccc3cc[nH]c3c2 270004a_100011912548_100000117039 [0,1,0,0,0,1|1,0,0]=3 1858 B21R3.159709 CC1CC=CCC1CNCc2ccc3cn[nH]c3c2 269862a_100011769419_100000117039 [0,1,0,0,0,1|2,0,0]=4 1859 B21R3.159709 CC1CC=CCC1CNCc2ccc3cn[nH]c3c2 270004a_100011769419_100000117039 [0,1,0,0,0,1|2,0,0]=4 1860 B21R3.159709 CC1CC=CCC1CNCc2ccc3nonc3c2 269862a_100015186617_100000117039 [0,1,0,0,0,1|1,0,1]=4 1861 B21R3.159709 CC1CC=CCC1CNCc2ccc3nonc3c2 270004a_100015186617_100000117039 [0,1,0,0,0,1|1,0,1]=4 1862 B21R3.159709 CC1CC=CCC1CNCc2ccc3nsnc3c2 269862a_200020606664_100000117039 [0,1,0,0,0,1|1,0,1]=4 1863 B21R3.159709 CC1CC=CCC1CNCc2ccc3occc3c2 269862a_100020591328_100000117039 [0,1,0,0,0,1|2,0,0]=4 1864 B21R3.159709 CC1CC=CCC1CNCc2ccc3occc3c2 270004a_100020591328_100000117039 [0,1,0,0,0,1|2,0,0]=4 1865 B21R3.159709 CC1CC=CCC1CNCc2ccc3sccc3c2 269862a_100000732457_100000117039 [0,1,0,0,0,1|2,0,0]=4 1866 B21R3.159709 CC1CC=CCC1CNCc2ccc3sccc3c2 270004a_100000732457_100000117039 [0,1,0,0,0,1|2,0,0]=4 1867 B21R3.159709 CC1CC=CCC1COCc2ccc3ncoc3c2 34a_100000211322_106359897996 [0,1,0,0,0,1|2,0,0]=4 1868 B21R3.159709 CC1CC=CCC1COCc2ccc3ncsc3c2 34a_100000211322_100009847474 [0,1,0,0,0,1|2,0,0]=4 1869 B21R3.159709 CN1CCCCC1CNCc2ccc3nc[nH]c3c2 207a_100011228421_100000059205 [0,1,0,0,0,1|0,0,2]=4 1870 B21R3.159709 CN1CCCCC1CNCc2ccc3nc[nH]c3c2 270004a_100011228421_100000059205 [0,1,0,0,0,1|0,0,2]=4 1871 B21R3.159709 OC1CCCCC1CNCc2ccc3nc[nH]c3c2 207a_100011216029_100000059205 [0,1,0,0,0,1|0,0,2]=4 1872 B21R3.159709 OC1CCCCC1CNCc2ccc3nc[nH]c3c2 270004a_100011216029_100000059205 [0,1,0,0,0,1|0,0,2]=4 1873 B21R3.233571 Cn1ccc2c1ccc(c2)CNCC3CC=CCC3 270004a_102125277283_100000189434 [0,1,0,0,0,1|1,0,1]=4 1874 B21R3.469626 CN1CCC[C@H](C1)CNCc2ccc3nc[nH]c3c2 207a_100016993746_100000059205 [0,1,0,0,0,1|0,0,2]=4 1875 B21R3.469626 CN1CCC[C@H](C1)CNCc2ccc3nc[nH]c3c2 270004a_100016993746_100000059205 [0,1,0,0,0,1|0,0,2]=4 1876 B21R3.469626 CN1CCOC(C1)CNCc2ccc3nc[nH]c3c2 207a_100000747556_100000059205 [0,1,0,0,0,1|1,0,1]=4 1877 B21R3.469626 CN1CCOC(C1)CNCc2ccc3nc[nH]c3c2 270004a_100000747556_100000059205 [0,1,0,0,0,1|1,0,1]=4 1878 B21R3.469626 OC1CCCC(C1)CNCc2ccc3nc[nH]c3c2 207a_100011254705_100000059205 [0,1,0,0,0,1|0,0,2]=4 1879 B21R3.469626 OC1CCCC(C1)CNCc2ccc3nc[nH]c3c2 270004a_100011254705_100000059205 [0,1,0,0,0,1|0,0,2]=4 1880 B21R3.521412 CN(Cc1ccc2[nH]ccc2c1)CC3CC=CCC3 270004a_100011912550_100000189434 [0,1,0,0,0,1|1,0,1]=4 1881 B21R3.521412 CN(Cc1ccc2nc[nH]c2c1)CC3CCCCC3 270004a_100000736448_100000059205 [0,1,0,0,0,1|0,0,2]=4 1882 B21R3.521412 CN(Cc1ccc2nc[nH]c2c1)CC3CCCCO3 270004a_100000225654_100000059205 [0,1,0,0,0,1|0,0,2]=4 1883 B21R3.521412 CN(Cc1ccc2nc[nH]c2c1)CC3CCOCC3 270004a_100025706683_100000059205 [0,1,0,0,0,1|0,0,2]=4 1884 B21R3.521412 CN(Cc1ccc2nc[nH]c2c1)CC3CCSCC3 270004a_100011935259_100000059205 [0,1,0,0,0,1|0,0,2]=4 1885 B21R3.521412 CN(Cc1ccc2nc[nH]c2c1)CC3COCCO3 270004a_100011398995_100000059205 [0,1,0,0,0,1|1,0,1]=4 1886 B21R3.4616242 CC1(CC=CCC1)COCc2ccc3ncoc3c2 34a_200000074738_106359897996 [0,1,0,0,0,1|2,0,0]=4 1887 B21R3.4616242 CC1(CC=CCC1)COCc2ccc3ncsc3c2 34a_200000074738_100009847474 [0,1,0,0,0,1|2,0,0]=4 1888 B21R3.4616242 CC1(CCCCC1)CNCc2ccc3nc[nH]c3c2 207a_100000706052_100000059205 [0,1,0,0,0,1|0,0,2]=4 1889 B21R3.4616242 CC1(CCCCC1)CNCc2ccc3nc[nH]c3c2 270004a_100000706052_100000059205 [0,1,0,0,0,1|0,0,2]=4 1890 B21R3.4616242 CC1(CCOCC1)CNCc2ccc3nc[nH]c3c2 207a_100000695556_100000059205 [0,1,0,0,0,1|0,0,2]=4 1891 B21R3.4616242 CC1(CCOCC1)CNCc2ccc3nc[nH]c3c2 270004a_100000695556_100000059205 [0,1,0,0,0,1|0,0,2]=4 1892 B21R3.4616242 FC1(CCOCC1)CNCc2ccc3nc[nH]c3c2 207a_100016991512_100000059205 [0,1,0,0,0,1|0,0,2]=4 1893 B21R3.4616242 FC1(CCOCC1)CNCc2ccc3nc[nH]c3c2 270004a_100016991512_100000059205 [0,1,0,0,0,1|0,0,2]=4 1894 B21R3.4616242 OC1(CCCCC1)CNCc2ccc3nc[nH]c3c2 207a_100000748649_100000059205 [0,1,0,0,0,1|0,0,2]=4 1895 B21R3.4616242 OC1(CCCCC1)CNCc2ccc3nc[nH]c3c2 270004a_100000748649_100000059205 [0,1,0,0,0,1|0,0,2]=4 1896 B21R3.4616242 OC1(CCOCC1)CNCc2ccc3nc[nH]c3c2 207a_100000704115_100000059205 [0,1,0,0,0,1|0,0,2]=4 1897 B21R3.4616242 OC1(CCOCC1)CNCc2ccc3nc[nH]c3c2 270004a_100000704115_100000059205 [0,1,0,0,0,1|0,0,2]=4 1898 B21R3.4616242 OC1(CCSCC1)CNCc2ccc3nc[nH]c3c2 207a_100000758141_100000059205 [0,1,0,0,0,1|0,0,2]=4 1899 B21R3.4616242 OC1(CCSCC1)CNCc2ccc3nc[nH]c3c2 270004a_100000758141_100000059205 [0,1,0,0,0,1|0,0,2]=4 1900 B21R3.4674374 Cn1ccc2c1cc(cc2)CNCC3CC=CCC3 270004a_100011934852_100000189434 [0,1,0,0,0,1|1,0,0]=3 1901 B21R3.141388 N[C@H]1C=C[C@H](C1)COCc2ccc3cnccc3c2 34a_100020646542_100020605334 [0,1,0,0,0,1|2,0,0]=4 1902 B21R3.141388 N[C@H]1C=C[C@H](C1)COCc2ccc3ncccc3c2 34a_100020646542_100000703657 [0,1,0,0,0,1|2,0,0]=4 1903 B21R3.141388 O=C1CC[C@@H](N1)CNCc2ccc3cnccc3c2 207a_100015423886_100000068276 [0,1,0,0,0,1|2,0,0]=4 1904 B21R3.141388 O=C1CC[C@@H](N1)CNCc2ccc3cnccc3c2 2230a_100015423886_100020605334 [0,1,0,0,0,1|2,0,0]=4 1905 B21R3.141388 O=C1CC[C@@H](N1)CNCc2ccc3cnccc3c2 270004a_100015423886_100000068276 [0,1,0,0,0,1|2,0,0]=4 1906 B21R3.141388 O=C1CC[C@@H](N1)CNCc2ccc3cnccc3c2 34a_100015423886_100020605334 [0,1,0,0,0,1|2,0,0]=4 1907 B21R3.141388 O=C1CC[C@@H](N1)CNCc2ccc3ncccc3c2 207a_100015423886_100000211315 [0,1,0,0,0,1|2,0,0]=4 1908 B21R3.141388 O=C1CC[C@@H](N1)CNCc2ccc3ncccc3c2 2230a_100015423886_100000703657 [0,1,0,0,0,1|2,0,0]=4 1909 B21R3.141388 O=C1CC[C@@H](N1)CNCc2ccc3ncccc3c2 270004a_100015423886_100000211315 [0,1,0,0,0,1|2,0,0]=4 1910 B21R3.141388 O=C1CC[C@@H](N1)CNCc2ccc3ncccc3c2 34a_100015423886_100000703657 [0,1,0,0,0,1|2,0,0]=4 1911 B21R3.141388 O=C1CC[C@@H](N1)CNCc2ccc3nccnc3c2 2230a_100015423886_200011762199 [0,1,0,0,0,1|1,0,1]=4 1912 B21R3.141388 O=C1CC[C@@H](N1)CNCc2ccc3nccnc3c2 270004a_100015423886_100000239887 [0,1,0,0,0,1|1,0,1]=4 1913 B21R3.521731 O=C(Cc1ccc2cnccc2c1)CC3C=CCC3 1458a_100000212241_100020605334 [0,1,0,0,0,1|2,0,0]=4 1914 B21R3.521731 O=C(Cc1ccc2ncccc2c1)CC3C=CCC3 1458a_100000212241_100000703657 [0,1,0,0,0,1|2,0,0]=4 1915 B21R3.521731 O=C(Cc1ccc2nccnc2c1)CC3C=CCC3 1458a_100000212241_200011762199 [0,1,0,0,0,1|1,0,1]=4 1916 B21R3.3747469 Cc1nc2ccc(cc2o1)CNC[C@H]3CCC(=O)N3 207a_100015423886_100010272349 [0,2,0,0,0,0|2,0,0]=4 1917 B21R3.3747469 Cc1nc2ccc(cc2o1)CNC[C@H]3CCC(=O)N3 270004a_100015423886_100010272349 [0,2,0,0,0,0|2,0,0]=4 1918 B21R3.3747469 O=C1CC[C@@H](N1)CNCc2ccc3[nH]c(=O)[nH]c3c2 207a_100015423886_100000709728 [0,2,0,0,0,0|1,0,1]=4 1919 B21R3.3747469 O=C1CC[C@@H](N1)CNCc2ccc3[nH]c(=O)[nH]c3c2 270004a_100015423886_100000709728 [0,2,0,0,0,0|1,0,1]=4 1920 B21R3.3747469 O=C1CC[C@@H](N1)CNCc2ccc3nc(sc3c2)Br 270004a_100015423886_200010272093 [0,2,0,0,0,0|2,0,0]=4 1921 B21R3.3747469 O=C1CC[C@H](N1)CNCc2ccc3[nH]c(=O)[nH]c3c2 2230a_100000697230_100015189358 [0,2,0,0,0,0|1,0,1]=4 1922 B21R3.134528 N#CC(NCc1ccc2nc[nH]c2c1)C3CCCC3 270004a_100000767069_100000059205 [0,2,0,0,0,0|0,0,2]=4 1923 B21R3.521063 CC(C1CCCC1)N(C)Cc2ccc3nc[nH]c3c2 270004a_106630658171_100000059205 [0,2,0,0,0,0|0,0,2]=4 1924 B21R3.59308 CCN1CCC(C1)CNCc2ccc3nc[nH]c3c2 207a_100011224064_100000059205 [0,2,0,0,0,0|1,0,1]=4 1925 B21R3.59308 CCN1CCC(C1)CNCc2ccc3nc[nH]c3c2 270004a_100011224064_100000059205 [0,2,0,0,0,0|1,0,1]=4 1926 B21R3.142031 CC(NC[C@H]1CCC(=O)N1)c2ccc3cc[nH]c3c2 269862a_100015423886_200000045062 [0,2,0,0,0,0|2,0,0]=4 1927 B21R3.143161 O=C(Cc1ccc2nc[nH]c2c1)C[C@@H]3CCC(=O)N3 1458a_100000055147_100015189358 [0,2,0,0,0,0|2,0,0]=4 1928 B21R3.143335 Cn1ccc2c1cc(cc2)CNC[C@@H]3CCC(=O)N3 2230a_100011934852_100015189358 [0,2,0,0,0,0|2,0,0]=4 1929 B21R3.143335 Cn1ccc2c1cc(cc2)CNC[C@H]3CCC(=O)N3 207a_100015423886_100011934850 [0,2,0,0,0,0|2,0,0]=4 1930 B21R3.143335 Cn1ccc2c1cc(cc2)CNC[C@H]3CCC(=O)N3 270004a_100015423886_100011934850 [0,2,0,0,0,0|2,0,0]=4 1931 B21R3.4584201 O=S1(=O)CCC(C1)CNCc2ccc3nc[nH]c3c2 207a_100000737051_100000059205 [0,2,0,0,0,0|1,0,1]=4 1932 B21R3.4584201 O=S1(=O)CCC(C1)CNCc2ccc3nc[nH]c3c2 270004a_100000737051_100000059205 [0,2,0,0,0,0|1,0,1]=4 1933 B21R3.12489620 CN1CCC(C1)(C)CNCc2ccc3nc[nH]c3c2 207a_100161000157_100000059205 [0,2,0,0,0,0|1,0,1]=4 1934 B21R3.12489620 CN1CCC(C1)(C)CNCc2ccc3nc[nH]c3c2 270004a_100161000157_100000059205 [0,2,0,0,0,0|1,0,1]=4 1935 B21R3.86276 CCN1CCCC1CNCc2ccc3nc[nH]c3c2 207a_100000211693_100000059205 [0,2,0,0,0,0|1,0,1]=4 1936 B21R3.86276 CCN1CCCC1CNCc2ccc3nc[nH]c3c2 270004a_100000211693_100000059205 [0,2,0,0,0,0|1,0,1]=4 1937 B21R3.549217 CCN(Cc1ccc2nc[nH]c2c1)CC3CCCO3 270004a_100000186375_100000059205 [0,2,0,0,0,0|1,0,1]=4 1938 B21R3.4760841 Cn1cnc2c1cc(cc2)NC(=O)CC3C=CCC3 11a_100015183096_100000212241 [0,2,0,0,0,0|2,0,0]=4 1939 B21R3.4760841 Cn1cnc2c1cc(cc2)NC(=O)CC3C=CCC3 1626a_100015183096_100000212241 [0,2,0,0,0,0|2,0,0]=4 1940 B21R3.4760841 Cn1cnc2c1cc(cc2)NC(=O)CC3C=CCC3 22a_100015183096_100000212241 [0,2,0,0,0,0|2,0,0]=4 1941 B21R3.4760841 Cn1cnc2c1cc(cc2)NC(=O)CC3C=CCC3 527a_100015183096_100000212241 [0,2,0,0,0,0|2,0,0]=4 1942 B21R3.13175079 OCC1(CCCC1)CNCc2ccc3nc[nH]c3c2 207a_100000699429_100000059205 [0,2,0,0,0,0|0,0,2]=4 1943 B21R3.13175079 OCC1(CCCC1)CNCc2ccc3nc[nH]c3c2 270004a_100000699429_100000059205 [0,2,0,0,0,0|0,0,2]=4 1944 B17R1.1478 C=CCCCCCCC(=O)C=Cc1c[nH]cn1 1458a_100102678534_100011215473 [0,0,2,0,0,0|2,0,0]=4 1945 B19R3.18017 C=CCc1ccc(cc1)CN2CC3C=CC2C3 26a_100000732668_100000078792 [0,0,1,1,0,0|2,0,0]=4 1946 B19R3.18017 NCCc1ccc(cc1)CN2CC3C=CC2C3 26a_100000732668_100000743037 [0,0,1,1,0,0|1,0,1]=4 1947 B19R3.6728 COCC1CCN1Cc2ccc3nc[nH]c3c2 270004a_100015195929_100000059205 [0,0,1,1,0,0|1,0,1]=4 1948 B19R3.9162 CC1CCCCN1Cc2ccc3nc[nH]c3c2 270004a_100000211376_100000059205 [0,0,1,1,0,0|0,0,2]=4 1949 B19R3.9162 C[C@H]1COCCN1Cc2ccc3nc[nH]c3c2 270004a_100009815349_100000059205 [0,0,1,1,0,0|1,0,1]=4 1950 B19R3.14998 CCC1CCCN1Cc2ccc3nc[nH]c3c2 270004a_100000754278_100000059205 [0,0,1,1,0,0|0,0,2]=4 1951 B19R3.14998 N#C[C@H]1CCCN1Cc2ccc3nc[nH]c3c2 270004a_106645074975_100000059205 [0,0,1,1,0,0|1,0,1]=4 1952 B19R3.14998 OC[C@H]1CCCN1Cc2ccc3nc[nH]c3c2 270004a_100000745186_100000059205 [0,0,1,1,0,0|1,0,1]=4 1953 B19R3.19268 C1=CC(CCC1)NCc2ccc3occc3c2 2230a_100020591328_100000751183 [0,0,1,1,0,0|2,0,0]=4 1954 B19R3.19268 C1=CC(CCC1)NCc2ccc3sccc3c2 2230a_100000732457_100000751183 [0,0,1,1,0,0|2,0,0]=4 1955 B19R3.19268 C1=CC(CCC1)OCc2ccc3ncoc3c2 34a_100011215024_106359897996 [0,0,1,1,0,0|2,0,0]=4 1956 B19R3.19268 C1=CC(CCC1)OCc2ccc3ncsc3c2 34a_100011215024_100009847474 [0,0,1,1,0,0|2,0,0]=4 1957 B19R3.19268 C1=CC(CCC1)SCc2ccc3ncoc3c2 62a_100000751183_106359897996 [0,0,1,1,0,0|2,0,0]=4 1958 B19R3.19268 C1=CC(CCC1)SCc2ccc3ncoc3c2 62a_106359897996_100000751183 [0,0,1,1,0,0|2,0,0]=4 1959 B19R3.19268 C1=CC(CCC1)SCc2ccc3ncsc3c2 62a_100000751183_100009847474 [0,0,1,1,0,0|2,0,0]=4 1960 B19R3.19268 C1=CC(CCC1)SCc2ccc3ncsc3c2 62a_100009847474_100000751183 [0,0,1,1,0,0|2,0,0]=4 1961 B19R3.19268 C1=CCC(CC1)OCc2ccc3ncoc3c2 34a_100000073881_106359897996 [0,0,1,1,0,0|2,0,0]=4 1962 B19R3.19268 C1=CCC(CC1)OCc2ccc3ncsc3c2 34a_100000073881_100009847474 [0,0,1,1,0,0|2,0,0]=4 1963 B19R3.19268 c1nc2ccc(cc2[nH]1)CNC3CCCCC3 207a_100000182618_100000059205 [0,0,1,1,0,0|0,0,2]=4 1964 B19R3.19268 c1nc2ccc(cc2[nH]1)CNC3CCCCC3 270004a_100000182618_100000059205 [0,0,1,1,0,0|0,0,2]=4 1965 B19R3.19268 c1nc2ccc(cc2[nH]1)CNC3CCCOC3 207a_100000719290_100000059205 [0,0,1,1,0,0|1,0,1]=4 1966 B19R3.19268 c1nc2ccc(cc2[nH]1)CNC3CCCOC3 270004a_100000719290_100000059205 [0,0,1,1,0,0|1,0,1]=4 1967 B19R3.19268 c1nc2ccc(cc2[nH]1)CNC3CCOCC3 207a_100000741149_100000059205 [0,0,1,1,0,0|1,0,1]=4 1968 B19R3.19268 c1nc2ccc(cc2[nH]1)CNC3CCOCC3 270004a_100000741149_100000059205 [0,0,1,1,0,0|1,0,1]=4 1969 B19R3.19268 c1nc2ccc(cc2[nH]1)CNC3CCSCC3 207a_100000748639_100000059205 [0,0,1,1,0,0|1,0,1]=4 1970 B19R3.19268 c1nc2ccc(cc2[nH]1)CNC3CCSCC3 270004a_100000748639_100000059205 [0,0,1,1,0,0|1,0,1]=4 1971 B19R3.1672004 c1nc2ccc(cc2[nH]1)CN3CCCCCC3 270004a_100000185865_100000059205 [0,0,1,1,0,0|0,0,2]=4 1972 B19R3.1672004 c1nc2ccc(cc2[nH]1)CN3CCCOCC3 270004a_100000685342_100000059205 [0,0,1,1,0,0|1,0,1]=4 1973 B19R3.4094971 O=C(C=Cc1c[nH]cn1)CC2CC3C=CC2C3 1458a_100102678534_100000139495 [0,0,1,1,0,0|2,0,0]=4 1974 B19R3.122546 CCOC1CN(C1)Cc2ccc3nc[nH]c3c2 270004a_100000732654_100000059205 [0,0,1,1,0,0|1,0,1]=4 1975 B19R3.122546 COCC1CN(C1)Cc2ccc3nc[nH]c3c2 270004a_100016993750_100000059205 [0,0,1,1,0,0|1,0,1]=4 1976 B19R3.182323 CC1=CCCN(C1)Cc2ccc3nc[nH]c3c2 270004a_100000725631_100000059205 [0,0,1,1,0,0|0,0,2]=4 1977 B19R3.182323 CC1CN(CCO1)Cc2ccc3nc[nH]c3c2 270004a_100000729577_100000059205 [0,0,1,1,0,0|1,0,1]=4 1978 B19R3.182323 C[C@H]1CCCN(C1)Cc2ccc3nc[nH]c3c2 270004a_100000717927_100000059205 [0,0,1,1,0,0|0,0,2]=4 1979 B19R3.182323 FC1CCCN(C1)Cc2ccc3nc[nH]c3c2 270004a_100000697950_100000059205 [0,0,1,1,0,0|1,0,1]=4 1980 B19R3.182323 OC1CCCN(C1)Cc2ccc3nc[nH]c3c2 270004a_100000211013_100000059205 [0,0,1,1,0,0|1,0,1]=4 1981 B19R3.678015 OC(CNCc1ccc2nc[nH]c2c1)C3CC3 207a_100000751198_100000059205 [0,0,1,1,0,0|1,0,1]=4 1982 B19R3.678015 OC(CNCc1ccc2nc[nH]c2c1)C3CC3 270004a_100000751198_100000059205 [0,0,1,1,0,0|1,0,1]=4 1983 B19R3.23167 CO[C@@H]1CCN(C1)Cc2ccc3nc[nH]c3c2 270004a_100000766984_100000059205 [0,0,1,1,0,0|1,0,1]=4 1984 B19R3.23167 N#CC1CCN(C1)Cc2ccc3nc[nH]c3c2 270004a_100016989334_100000059205 [0,0,1,1,0,0|1,0,1]=4 1985 B19R3.23167 OCC1CCN(C1)Cc2ccc3nc[nH]c3c2 270004a_100000748654_100000059205 [0,0,1,1,0,0|1,0,1]=4 1986 B19R3.1895719 N#CC1(CC1)CNCc2ccc3nc[nH]c3c2 207a_100000725504_100000059205 [0,0,1,1,0,0|1,0,1]=4 1987 B19R3.1895719 N#CC1(CC1)CNCc2ccc3nc[nH]c3c2 270004a_100000725504_100000059205 [0,0,1,1,0,0|1,0,1]=4 1988 B19R3.1895719 OCC1(CC1)CNCc2ccc3nc[nH]c3c2 207a_100000757901_100000059205 [0,0,1,1,0,0|1,0,1]=4 1989 B19R3.1895719 OCC1(CC1)CNCc2ccc3nc[nH]c3c2 270004a_100000757901_100000059205 [0,0,1,1,0,0|1,0,1]=4 1990 B19R4.16827817 C1=CC2CC1CN2Cc3ccc4c(c3)CC4 270004a_100000732668_100010273998 [0,0,0,1,1,0|1,0,1]=4 1991 B21R4.14960255 C1=CC2CC1CC2CNc3ccc4ncoc4c3 34a_100011248239_200009814271 [0,0,0,1,0,1|2,0,0]=4 1992 B21R4.14960255 C1=CC2CC1CC2CNc3ccc4ncsc4c3 34a_100011215093_200009814271 [0,0,0,1,0,1|2,0,0]=4 1993 B21R4.14960255 C1=CC2CC1CC2COc3ccc4cc[nH]c4c3 34a_100000036713_200009814271 [0,0,0,1,0,1|2,0,0]=4 1994 B21R4.14960255 C1=CC2CC1CC2COc3ccc4ncsc4c3 34a_100011995850_200009814271 [0,0,0,1,0,1|2,0,0]=4 1995 B21R4.14960255 C1=CC2CC1CC2COc3ccc4ncsc4c3 7a_100011995850_100000139495 [0,0,0,1,0,1|2,0,0]=4 1996 B21R4.14960255 C1=CC2CC1CC2CSc3ccc4cc[nH]c4c3 62a_100000139495_100000743809 [0,0,0,1,0,1|2,0,0]=4 1997 B21R4.14960255 C1=CC2CC1CC2CSc3ccc4nc[nH]c4n3 62a_100000139495_100000077665 [0,0,0,1,0,1|2,0,0]=4 1998 B21R4.14960255 C1=CC2CC1CC2CSc3ccc4nc[nH]c4n3 62a_100009820032_100000139495 [0,0,0,1,0,1|2,0,0]=4 1999 B21R4.14960255 C1=CC2CC1CC2CSc3ccc4ncoc4c3 62a_100000139495_100009817590 [0,0,0,1,0,1|2,0,0]=4 2000 B21R4.14960255 C1=CC2CC1CC2CSc3ccc4ncsc4c3 62a_100000139495_100009816678 [0,0,0,1,0,1|2,0,0]=4 2001 B21R4.14960255 C1=CC2CC1CC2CSc3ccc4ncsc4c3 62a_100009816678_100000139495 [0,0,0,1,0,1|2,0,0]=4 2002 B21R4.14960255 C1=CC2CC1CC2CSc3ccc4nn[nH]c4c3 62a_100000139495_100009817464 [0,0,0,1,0,1|2,0,0]=4 2003 B21R4.14960255 C1=CC2CC1CC2CSc3cnc4nc[nH]c4c3 62a_100000139495_100000760087 [0,0,0,1,0,1|2,0,0]=4 2004 B21R4.14960255 C1=CC2CC1CC2OCc3ccc4ncoc4c3 34a_100000043678_106359897996 [0,0,0,1,0,1|2,0,0]=4 2005 B21R4.14960255 C1=CC2CC1CC2OCc3ccc4ncsc4c3 34a_100000043678_100009847474 [0,0,0,1,0,1|2,0,0]=4 2006 B21R4.14960255 c1nc2ccc(cc2[nH]1)CNC3CC4CCC3C4 270004a_100000758229_100000059205 [0,0,0,1,0,1|0,0,2]=4 2007 B21R4.2316777 c1nc2ccc(cc2[nH]1)CN3CC4CCC3CC4 270004a_100000750499_100000059205 [0,0,0,1,0,1|0,0,2]=4 2008 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4ccccc4c3 2230a_100000732668_100011216711 [0,0,0,1,0,1|2,0,0]=4 2009 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4ccccc4c3 269982a_100000732668_100011216711 [0,0,0,1,0,1|2,0,0]=4 2010 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4ccccc4c3 270004a_100000732668_100000211584 [0,0,0,1,0,1|2,0,0]=4 2011 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4ccccc4c3 34a_100000732668_100011216711 [0,0,0,1,0,1|2,0,0]=4 2012 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4cccnc4c3 270004a_100000732668_100011784159 [0,0,0,1,0,1|1,0,1]=4 2013 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4cnccc4c3 2230a_100000732668_100020605334 [0,0,0,1,0,1|1,0,0]=3 2014 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4cnccc4c3 269982a_100000732668_100020605334 [0,0,0,1,0,1|1,0,0]=3 2015 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4cnccc4c3 270004a_100000732668_100000068276 [0,0,0,1,0,1|1,0,0]=3 2016 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4cnccc4c3 34a_100000732668_100020605334 [0,0,0,1,0,1|1,0,0]=3 2017 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4ncccc4c3 2230a_100000732668_100000703657 [0,0,0,1,0,1|1,0,0]=3 2018 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4ncccc4c3 269982a_100000732668_100000703657 [0,0,0,1,0,1|1,0,0]=3 2019 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4ncccc4c3 270004a_100000732668_100000211315 [0,0,0,1,0,1|1,0,0]=3 2020 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4ncccc4c3 34a_100000732668_100000703657 [0,0,0,1,0,1|1,0,0]=3 2021 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4nccnc4c3 2230a_100000732668_200011762199 [0,0,0,1,0,1|0,0,1]=3 2022 B21R4.14522066 C1=CC2CC1CN2Cc3ccc4nccnc4c3 270004a_100000732668_100000239887 [0,0,0,1,0,1|0,0,1]=3 2023 B21R4.6785077 Brc1nc2ccc(cc2s1)CN3CC4C=CC3C4 26a_100000732668_100010063415 [0,1,0,1,0,0|1,0,0]=3 2024 B21R4.6785077 Brc1nc2ccc(cc2s1)CN3CC4C=CC3C4 270004a_100000732668_200010272093 [0,1,0,1,0,0|1,0,0]=3 2025 B21R4.6785077 Cc1cc2cc(ccc2[nH]1)CN3CC4C=CC3C4 270004a_100000732668_100000050725 [0,1,0,1,0,0|1,0,1]=4 2026 B21R4.6785077 Cc1cc2ccc(cc2o1)CN3CC4C=CC3C4 26a_100000732668_100000095638 [0,1,0,1,0,0|2,0,0]=4 2027 B21R4.6785077 Cc1nc2cc(ccc2s1)CN3CC4C=CC3C4 270004a_100000732668_100000008629 [0,1,0,1,0,0|1,0,1]=4 2028 B21R4.6785077 Cc1nc2ccc(cc2o1)CN3CC4C=CC3C4 270004a_100000732668_100010272349 [0,1,0,1,0,0|1,0,0]=3 2029 B21R4.6785077 Clc1nc2cc(ccc2o1)CN3CC4C=CC3C4 26a_100000732668_100010673232 [0,1,0,1,0,0|1,0,1]=4 2030 B21R4.6785077 O=C1Cc2cc(ccc2O1)CN3CC4C=CC3C4 26a_100000732668_100000035078 [0,1,0,1,0,0|2,0,0]=4 2031 B21R4.6785077 O=c1[nH]c2ccc(cc2[nH]1)CN3CC4C=CC3C4 270004a_100000732668_100000709728 [0,1,0,1,0,0|0,0,1]=3 2032 B21R4.477457 Brc1cc2cn[nH]c2cc1CN3CC4C=CC3C4 26a_100000732668_100010079831 [0,1,0,1,0,0|2,0,0]=4 2033 B21R4.68423 c1nc2ccc(cc2[nH]1)CN3CC4CCC(C3)O4 270004a_100015188616_100000059205 [0,1,0,1,0,0|1,0,1]=4 2034 B21R4.68422 c1nc2ccc(cc2[nH]1)CN3C[C@H]4CCC[C@H]4C3 270004a_100102946302_100000059205 [0,1,0,1,0,0|0,0,2]=4 2035 B21R4.68422 c1nc2ccc(cc2[nH]1)CN3C[C@H]4COC[C@H]4C3 270004a_100000700037_100000059205 [0,1,0,1,0,0|1,0,1]=4 2036 B21R4.439684 CN1C[C@@H]2C[C@H]1CN2Cc3ccc4nc[nH]c4c3 270004a_100025763010_100000059205 [0,1,0,1,0,0|1,0,1]=4 2037 B21R4.29839174 Cc1n[nH]c2c1ccc(c2)CN3CC4C=CC3C4 26a_100000732668_100000089730 [0,1,0,1,0,0|2,0,0]=4 2038 B21R4.29839174 Cn1ccc2c1ccc(c2)CN3CC4C=CC3C4 270004a_100000732668_100011361496 [0,1,0,1,0,0|1,0,1]=4 2039 B21R4.29839174 Ic1n[nH]c2c1ccc(c2)CN3CC4C=CC3C4 270004a_100000732668_100010231508 [0,1,0,1,0,0|2,0,0]=4 2040 B21R4.46644666 Brc1cc(cc2c1occ2)CN3CC4C=CC3C4 26a_100000732668_200010248604 [0,1,0,1,0,0|2,0,0]=4 2041 B21R4.1915229 O=C(c1ccc2cc[nH]c2c1)N3CC4C=CC3C4 11a_100000732668_100000739399 [0,1,0,1,0,0|1,0,1]=4 2042 B21R4.1915229 O=C(c1ccc2cc[nH]c2c1)N3CC4C=CC3C4 527a_100000732668_100000739399 [0,1,0,1,0,0|1,0,1]=4 2043 B21R4.1915229 O=C(c1ccc2ncsc2c1)N3CC4C=CC3C4 11a_100000732668_100000183663 [0,1,0,1,0,0|1,0,1]=4 2044 B21R4.1915229 O=C(c1ccc2ncsc2c1)N3CC4C=CC3C4 240690a_100000732668_100000183663 [0,1,0,1,0,0|1,0,1]=4 2045 B21R4.1915229 O=C(c1ccc2ncsc2c1)N3CC4C=CC3C4 527a_100000732668_100000183663 [0,1,0,1,0,0|1,0,1]=4 2046 B21R4.135641482 Brc1cnc2n1cc(cc2)CN3CC4C=CC3C4 270004a_100000732668_100010184421 [0,1,0,1,0,0|2,0,0]=4 2047 B21R4.135641482 Cn1ccc2c1cc(cc2)CN3CC4C=CC3C4 270004a_100000732668_100011934850 [0,1,0,1,0,0|1,0,0]=3 2048 B21R4.135641482 Cn1ncc2c1cc(cc2)CN3CC4C=CC3C4 26a_100000732668_100009862793 [0,1,0,1,0,0|2,0,0]=4 2049 B21R4.135641482 Cn1ncc2c1cc(cc2)CN3CC4C=CC3C4 270004a_100000732668_100000070339 [0,1,0,1,0,0|2,0,0]=4 2050 B17R2.22247 C=CCCCCNCc1ccc2c(c1)CC2 207a_100000703577_100010273998 [0,0,1,0,1,0|1,0,1]=4 2051 B17R2.22247 C=CCCCCNCc1ccc2c(c1)CC2 270004a_100000703577_100010273998 [0,0,1,0,1,0|1,0,1]=4 2052 B17R2.9648 C/C=C/C(C)OCc1ccc2ncoc2c1 34a_200102604097_106359897996 [0,0,1,0,1,0|2,0,0]=4 2053 B17R2.9648 C/C=C/C(C)OCc1ccc2ncsc2c1 34a_200102604097_100009847474 [0,0,1,0,1,0|2,0,0]=4 2054 B17R2.9648 CCCC(C)NCc1ccc2nc[nH]c2c1 207a_100000741246_100000059205 [0,0,1,0,1,0|0,0,2]=4 2055 B17R2.9648 CCCC(C)NCc1ccc2nc[nH]c2c1 270004a_100000741246_100000059205 [0,0,1,0,1,0|0,0,2]=4 2056 B17R2.9648 COC[C@@H](C)NCc1ccc2nc[nH]c2c1 207a_100000764878_100000059205 [0,0,1,0,1,0|1,0,1]=4 2057 B17R2.9648 COC[C@@H](C)NCc1ccc2nc[nH]c2c1 270004a_100000764878_100000059205 [0,0,1,0,1,0|1,0,1]=4 2058 B17R2.9648 C[C@H](CCO)NCc1ccc2nc[nH]c2c1 207a_100000706166_100000059205 [0,0,1,0,1,0|1,0,1]=4 2059 B17R2.9648 C[C@H](CCO)NCc1ccc2nc[nH]c2c1 270004a_100000706166_100000059205 [0,0,1,0,1,0|1,0,1]=4 2060 B17R2.48534 C=CC(CC)OCc1ccc2ncoc2c1 34a_100000766422_106359897996 [0,0,1,0,1,0|2,0,0]=4 2061 B17R2.48534 C=CC(CC)OCc1ccc2ncoc2c1 7a_100000766422_106359897996 [0,0,1,0,1,0|2,0,0]=4 2062 B17R2.48534 C=CC(CC)OCc1ccc2ncsc2c1 34a_100000766422_100009847474 [0,0,1,0,1,0|2,0,0]=4 2063 B17R2.48534 C=CC(CC)OCc1ccc2ncsc2c1 7a_100000766422_100009847474 [0,0,1,0,1,0|2,0,0]=4 2064 B17R2.48534 C=C[C@@H](CO)NCc1ccc2cc[nH]c2c1 270004a_100016989147_100011218920 [0,0,1,0,1,0|2,0,0]=4 2065 B17R2.48534 C=C[C@@H](CO)NCc1ccc2nc[nH]c2c1 270004a_100016989147_100000059205 [0,0,1,0,1,0|1,0,0]=3 2066 B17R2.48534 C=C[C@@H](CO)NCc1ccc2ncoc2c1 2230a_100016989147_106359897996 [0,0,1,0,1,0|2,0,0]=4 2067 B17R2.48534 C=C[C@@H](CO)NCc1ccc2ncoc2c1 270004a_100016989147_100000059852 [0,0,1,0,1,0|2,0,0]=4 2068 B17R2.48534 C=C[C@@H](CO)NCc1ccc2ncoc2c1 34a_100016989147_106359897996 [0,0,1,0,1,0|2,0,0]=4 2069 B17R2.48534 C=C[C@@H](CO)NCc1ccc2ncsc2c1 2230a_100016989147_100009847474 [0,0,1,0,1,0|2,0,0]=4 2070 B17R2.48534 C=C[C@@H](CO)NCc1ccc2ncsc2c1 270004a_100016989147_100009861089 [0,0,1,0,1,0|2,0,0]=4 2071 B17R2.48534 C=C[C@@H](CO)NCc1ccc2ncsc2c1 34a_100016989147_100009847474 [0,0,1,0,1,0|2,0,0]=4 2072 B17R2.48534 CCC(CC)NCc1ccc2nc[nH]c2c1 207a_100000199018_100000059205 [0,0,1,0,1,0|0,0,2]=4 2073 B17R2.48534 CCC(CC)NCc1ccc2nc[nH]c2c1 270004a_100000199018_100000059205 [0,0,1,0,1,0|0,0,2]=4 2074 B17R2.48534 CC[C@@H](CO)NCc1ccc2nc[nH]c2c1 207a_100000709445_100000059205 [0,0,1,0,1,0|1,0,1]=4 2075 B17R2.48534 CC[C@@H](CO)NCc1ccc2nc[nH]c2c1 270004a_100000709445_100000059205 [0,0,1,0,1,0|1,0,1]=4 2076 B17R3.7372 c1cc2ccc(cc2[nH]1)CNC3CCC3 270004a_100011912548_100000241760 [0,0,0,0,2,0|1,0,1]=4 2077 B17R3.7372 c1nc2ccc(cc2[nH]1)CNC3COC3 207a_100016991112_100000059205 [0,0,0,0,2,0|1,0,1]=4 2078 B17R3.7372 c1nc2ccc(cc2[nH]1)CNC3COC3 270004a_100016991112_100000059205 [0,0,0,0,2,0|1,0,1]=4 2079 B17R3.7372 c1nc2ccc(cc2[nH]1)CNC3CSC3 207a_100016994217_100000059205 [0,0,0,0,2,0|1,0,1]=4 2080 B17R3.7372 c1nc2ccc(cc2[nH]1)CNC3CSC3 270004a_100016994217_100000059205 [0,0,0,0,2,0|1,0,1]=4 2081 B17R3.7372 c1nc2ccc(cc2o1)CNC3CCC3 2230a_100000749019_106359897996 [0,0,0,0,2,0|1,0,1]=4 2082 B17R3.7372 c1nc2ccc(cc2o1)CNC3CCC3 34a_100000749019_106359897996 [0,0,0,0,2,0|1,0,1]=4 2083 B17R3.7372 c1nc2ccc(cc2o1)NCC3CCC3 34a_100011248239_100000763275 [0,0,0,0,2,0|1,0,1]=4 2084 B17R3.7372 c1nc2ccc(cc2o1)NCC3CCO3 34a_100011248239_100000103362 [0,0,0,0,2,0|2,0,0]=4 2085 B17R3.7372 c1nc2ccc(cc2s1)CNC3CCC3 2230a_100000749019_100009847474 [0,0,0,0,2,0|1,0,1]=4 2086 B17R3.7372 c1nc2ccc(cc2s1)CNC3CCC3 34a_100000749019_100009847474 [0,0,0,0,2,0|1,0,1]=4 2087 B17R3.7372 c1nc2ccc(cc2s1)NCC3CCC3 34a_100011215093_100000763275 [0,0,0,0,2,0|1,0,1]=4 2088 B17R3.7372 c1nc2ccc(cc2s1)NCC3CCO3 34a_100011215093_100000103362 [0,0,0,0,2,0|2,0,0]=4 2089 B17R3.127909 c1cc2cc(ccc2[nH]1)CNCC3CC3 207a_100000735609_100011197475 [0,0,0,0,2,0|1,0,1]=4 2090 B17R3.127909 c1cc2cc(ccc2[nH]1)CNCC3CC3 269862a_100011837653_100000741477 [0,0,0,0,2,0|1,0,1]=4 2091 B17R3.127909 c1cc2cc(ccc2[nH]1)CNCC3CC3 270004a_100000735609_100011197475 [0,0,0,0,2,0|1,0,1]=4 2092 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 207a_100000735609_100000040644 [0,0,0,0,2,0|2,0,0]=4 2093 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 2230a_100020591328_100000742324 [0,0,0,0,2,0|2,0,0]=4 2094 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 269862a_100020591328_100000741477 [0,0,0,0,2,0|2,0,0]=4 2095 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 270004a_100000735609_100000040644 [0,0,0,0,2,0|2,0,0]=4 2096 B17R3.127909 c1cc2cc(ccc2o1)CNCC3CC3 34a_100020591328_100000742324 [0,0,0,0,2,0|2,0,0]=4 2097 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 207a_100000735609_100000050658 [0,0,0,0,2,0|2,0,0]=4 2098 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 2230a_100000732457_100000742324 [0,0,0,0,2,0|2,0,0]=4 2099 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 269862a_100000732457_100000741477 [0,0,0,0,2,0|2,0,0]=4 2100 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 270004a_100000735609_100000050658 [0,0,0,0,2,0|2,0,0]=4 2101 B17R3.127909 c1cc2cc(ccc2s1)CNCC3CC3 34a_100000732457_100000742324 [0,0,0,0,2,0|2,0,0]=4 2102 B17R3.127909 c1cc2cc(ccn2n1)CNCC3CC3 207a_100000735609_100009861398 [0,0,0,0,2,0|2,0,0]=4 2103 B17R3.127909 c1cc2cc(ccn2n1)CNCC3CC3 270004a_100000735609_100009861398 [0,0,0,0,2,0|2,0,0]=4 2104 B17R3.127909 c1cc2ccc(cc2[nH]1)CNCC3CC3 207a_100000735609_100011218920 [0,0,0,0,2,0|1,0,0]=3 2105 B17R3.127909 c1cc2ccc(cc2[nH]1)CNCC3CC3 269862a_100011912548_100000741477 [0,0,0,0,2,0|1,0,0]=3 2106 B17R3.127909 c1cc2ccc(cc2[nH]1)CNCC3CC3 270004a_100000735609_100011218920 [0,0,0,0,2,0|1,0,0]=3 2107 B17R3.127909 c1cc2ccc(cc2s1)CNCC3CC3 207a_100000735609_100000112508 [0,0,0,0,2,0|2,0,0]=4 2108 B17R3.127909 c1cc2ccc(cc2s1)CNCC3CC3 270004a_100000735609_100000112508 [0,0,0,0,2,0|2,0,0]=4 2109 B17R3.127909 c1cc2ccc(nc2[nH]1)CNCC3CC3 207a_100000735609_100000089654 [0,0,0,0,2,0|2,0,0]=4 2110 B17R3.127909 c1cc2ccc(nc2[nH]1)CNCC3CC3 270004a_100000735609_100000089654 [0,0,0,0,2,0|2,0,0]=4 2111 B17R3.127909 c1cc2cn[nH]c2cc1CNCC3CC3 207a_100000735609_100137314666 [0,0,0,0,2,0|2,0,0]=4 2112 B17R3.127909 c1cc2cn[nH]c2cc1CNCC3CC3 2230a_100000735609_100020605281 [0,0,0,0,2,0|2,0,0]=4 2113 B17R3.127909 c1cc2cn[nH]c2cc1CNCC3CC3 269862a_100011769419_100000741477 [0,0,0,0,2,0|2,0,0]=4 2114 B17R3.127909 c1cc2cn[nH]c2cc1CNCC3CC3 270004a_100000735609_100137314666 [0,0,0,0,2,0|2,0,0]=4 2115 B17R3.127909 c1cc2cn[nH]c2cc1CNCC3CC3 34a_100000735609_100020605281 [0,0,0,0,2,0|2,0,0]=4 2116 B17R3.127909 c1cc2n[nH]cc2cc1CNCC3CC3 207a_100000735609_100000068381 [0,0,0,0,2,0|2,0,0]=4 2117 B17R3.127909 c1cc2n[nH]cc2cc1CNCC3CC3 270004a_100000735609_100000068381 [0,0,0,0,2,0|2,0,0]=4 2118 B17R3.127909 c1cc2ncc(cc2[nH]1)CNCC3CC3 207a_100000735609_100000094745 [0,0,0,0,2,0|2,0,0]=4 2119 B17R3.127909 c1cc2ncc(cc2[nH]1)CNCC3CC3 270004a_100000735609_100000094745 [0,0,0,0,2,0|2,0,0]=4 2120 B17R3.127909 c1cc2nonc2cc1CNCC3CC3 2230a_100000735609_100000733437 [0,0,0,0,2,0|1,0,1]=4 2121 B17R3.127909 c1cc2nonc2cc1CNCC3CC3 269862a_100015186617_100000741477 [0,0,0,0,2,0|1,0,1]=4 2122 B17R3.127909 c1cc2nonc2cc1CNCC3CC3 270004a_100000735609_100000042170 [0,0,0,0,2,0|1,0,1]=4 2123 B17R3.127909 c1cc2nonc2cc1CNCC3CC3 34a_100000735609_100000733437 [0,0,0,0,2,0|1,0,1]=4 2124 B17R3.127909 c1cc2nsnc2cc1CNCC3CC3 207a_100000735609_100000042169 [0,0,0,0,2,0|1,0,1]=4 2125 B17R3.127909 c1cc2nsnc2cc1CNCC3CC3 2230a_100000735609_100000187484 [0,0,0,0,2,0|1,0,1]=4 2126 B17R3.127909 c1cc2nsnc2cc1CNCC3CC3 269862a_200020606664_100000741477 [0,0,0,0,2,0|1,0,1]=4 2127 B17R3.127909 c1cc2nsnc2cc1CNCC3CC3 270004a_100000735609_100000042169 [0,0,0,0,2,0|1,0,1]=4 2128 B17R3.127909 c1cc2nsnc2cc1CNCC3CC3 34a_100000735609_100000187484 [0,0,0,0,2,0|1,0,1]=4 2129 B17R3.127909 c1cn2cc(ccc2n1)CNCC3CC3 207a_100000735609_100000059712 [0,0,0,0,2,0|2,0,0]=4 2130 B17R3.127909 c1cn2cc(ccc2n1)CNCC3CC3 270004a_100000735609_100000059712 [0,0,0,0,2,0|2,0,0]=4 2131 B17R3.127909 c1nc2cc(ccc2o1)CNCC3CC3 207a_100000735609_100010271902 [0,0,0,0,2,0|1,0,1]=4 2132 B17R3.127909 c1nc2cc(ccc2o1)CNCC3CC3 2230a_100000735609_200010203175 [0,0,0,0,2,0|1,0,1]=4 2133 B17R3.127909 c1nc2cc(ccc2o1)CNCC3CC3 270004a_100000735609_100010271902 [0,0,0,0,2,0|1,0,1]=4 2134 B17R3.127909 c1nc2cc(ccc2o1)CNCC3CC3 34a_100000735609_200010203175 [0,0,0,0,2,0|1,0,1]=4 2135 B17R3.127909 c1nc2cc(ccc2s1)CNCC3CC3 207a_100000735609_100000718305 [0,0,0,0,2,0|1,0,1]=4 2136 B17R3.127909 c1nc2cc(ccc2s1)CNCC3CC3 270004a_100000735609_100000718305 [0,0,0,0,2,0|1,0,1]=4 2137 B17R3.127909 c1nc2ccc(cc2[nH]1)CNCC3CC3 207a_100000735609_100000059205 [0,0,0,0,2,0|0,0,0]=2 2138 B17R3.127909 c1nc2ccc(cc2[nH]1)CNCC3CC3 270004a_100000735609_100000059205 [0,0,0,0,2,0|0,0,0]=2 2139 B17R3.127909 c1nc2ccc(cc2o1)CNCC3CC3 207a_100000735609_100000059852 [0,0,0,0,2,0|1,0,0]=3 2140 B17R3.127909 c1nc2ccc(cc2o1)CNCC3CC3 2230a_100000735609_106359897996 [0,0,0,0,2,0|1,0,0]=3 2141 B17R3.127909 c1nc2ccc(cc2o1)CNCC3CC3 270004a_100000735609_100000059852 [0,0,0,0,2,0|1,0,0]=3 2142 B17R3.127909 c1nc2ccc(cc2o1)CNCC3CC3 34a_100000735609_106359897996 [0,0,0,0,2,0|1,0,0]=3 2143 B17R3.127909 c1nc2ccc(cc2o1)COCC3CC3 34a_100000211283_106359897996 [0,0,0,0,2,0|2,0,0]=4 2144 B17R3.127909 c1nc2ccc(cc2o1)CSCC3CC3 62a_100000756562_106359897996 [0,0,0,0,2,0|2,0,0]=4 2145 B17R3.127909 c1nc2ccc(cc2o1)CSCC3CC3 62a_106359897996_100000742324 [0,0,0,0,2,0|2,0,0]=4 2146 B17R3.127909 c1nc2ccc(cc2s1)CNCC3CC3 207a_100000735609_100009861089 [0,0,0,0,2,0|1,0,0]=3 2147 B17R3.127909 c1nc2ccc(cc2s1)CNCC3CC3 2230a_100000735609_100009847474 [0,0,0,0,2,0|1,0,0]=3 2148 B17R3.127909 c1nc2ccc(cc2s1)CNCC3CC3 270004a_100000735609_100009861089 [0,0,0,0,2,0|1,0,0]=3 2149 B17R3.127909 c1nc2ccc(cc2s1)CNCC3CC3 34a_100000735609_100009847474 [0,0,0,0,2,0|1,0,0]=3 2150 B17R3.127909 c1nc2ccc(cc2s1)COCC3CC3 34a_100000211283_100009847474 [0,0,0,0,2,0|2,0,0]=4 2151 B17R3.127909 c1nc2ccc(cc2s1)CSCC3CC3 62a_100000756562_100009847474 [0,0,0,0,2,0|2,0,0]=4 2152 B17R3.127909 c1nc2ccc(cc2s1)CSCC3CC3 62a_100009847474_100000742324 [0,0,0,0,2,0|2,0,0]=4 2153 B17R3.127909 c1nc2ccc(cn2n1)CNCC3CC3 207a_100000735609_100000102685 [0,0,0,0,2,0|1,0,1]=4 2154 B17R3.127909 c1nc2ccc(cn2n1)CNCC3CC3 270004a_100000735609_100000102685 [0,0,0,0,2,0|1,0,1]=4 2155 B19R2.1289 C=CCCCCNCc1ccc2ccccc2c1 207a_100000703577_100000211584 [0,0,1,0,0,1|2,0,0]=4 2156 B19R2.1289 C=CCCCCNCc1ccc2ccccc2c1 2230a_100000703577_100011216711 [0,0,1,0,0,1|2,0,0]=4 2157 B19R2.1289 C=CCCCCNCc1ccc2ccccc2c1 2230a_100000739491_100011215482 [0,0,1,0,0,1|2,0,0]=4 2158 B19R2.1289 C=CCCCCNCc1ccc2ccccc2c1 270004a_100000703577_100000211584 [0,0,1,0,0,1|2,0,0]=4 2159 B19R2.1289 C=CCCCCNCc1ccc2ccccc2c1 34a_100000703577_100011216711 [0,0,1,0,0,1|2,0,0]=4 2160 B19R2.1289 C=CCCCCNCc1ccc2ccccc2c1 34a_100000739491_100011215482 [0,0,1,0,0,1|2,0,0]=4 2161 B19R2.1289 C=CCCCCNCc1ccc2cccnc2c1 207a_100000703577_100011784159 [0,0,1,0,0,1|1,0,1]=4 2162 B19R2.1289 C=CCCCCNCc1ccc2cccnc2c1 270004a_100000703577_100011784159 [0,0,1,0,0,1|1,0,1]=4 2163 B19R2.1289 C=CCCCCNCc1ccc2cnccc2c1 207a_100000703577_100000068276 [0,0,1,0,0,1|1,0,0]=3 2164 B19R2.1289 C=CCCCCNCc1ccc2cnccc2c1 2230a_100000703577_100020605334 [0,0,1,0,0,1|1,0,0]=3 2165 B19R2.1289 C=CCCCCNCc1ccc2cnccc2c1 270004a_100000703577_100000068276 [0,0,1,0,0,1|1,0,0]=3 2166 B19R2.1289 C=CCCCCNCc1ccc2cnccc2c1 34a_100000703577_100020605334 [0,0,1,0,0,1|1,0,0]=3 2167 B19R2.1289 C=CCCCCNCc1ccc2ncccc2c1 207a_100000703577_100000211315 [0,0,1,0,0,1|1,0,0]=3 2168 B19R2.1289 C=CCCCCNCc1ccc2ncccc2c1 2230a_100000703577_100000703657 [0,0,1,0,0,1|1,0,0]=3 2169 B19R2.1289 C=CCCCCNCc1ccc2ncccc2c1 270004a_100000703577_100000211315 [0,0,1,0,0,1|1,0,0]=3 2170 B19R2.1289 C=CCCCCNCc1ccc2ncccc2c1 34a_100000238500_100011215482 [0,0,1,0,0,1|1,0,0]=3 2171 B19R2.1289 C=CCCCCNCc1ccc2ncccc2c1 34a_100000703577_100000703657 [0,0,1,0,0,1|1,0,0]=3 2172 B19R2.1289 C=CCCCCNCc1ccc2nccnc2c1 2230a_100000703577_200011762199 [0,0,1,0,0,1|0,0,1]=3 2173 B19R2.1289 C=CCCCCNCc1ccc2nccnc2c1 270004a_100000703577_100000239887 [0,0,1,0,0,1|0,0,1]=3 2174 B19R2.1289 C=CCCCCOCc1ccc2cnccc2c1 34a_100000766645_100020605334 [0,0,1,0,0,1|2,0,0]=4 2175 B19R2.1289 C=CCCCCOCc1ccc2cnccc2c1 7a_100000766645_100020605334 [0,0,1,0,0,1|2,0,0]=4 2176 B19R2.1289 C=CCCCCOCc1ccc2ncccc2c1 34a_100000766645_100000703657 [0,0,1,0,0,1|2,0,0]=4 2177 B19R2.1289 C=CCCCCOCc1ccc2ncccc2c1 34a_100011315636_100011215482 [0,0,1,0,0,1|2,0,0]=4 2178 B19R2.1289 C=CCCCCOCc1ccc2ncccc2c1 7a_100000766645_100000703657 [0,0,1,0,0,1|2,0,0]=4 2179 B19R2.1289 C=CCCCCOCc1ccc2nccnc2c1 7a_100000766645_200011762199 [0,0,1,0,0,1|1,0,1]=4 2180 B19R2.1289 C=CCCCCSCc1ccc2cnccc2c1 62a_100011215482_100020605334 [0,0,1,0,0,1|2,0,0]=4 2181 B19R2.1289 C=CCCCCSCc1ccc2cnccc2c1 62a_100020605334_100011215482 [0,0,1,0,0,1|2,0,0]=4 2182 B19R2.1289 C=CCCCCSCc1ccc2ncccc2c1 62a_100000703657_100011215482 [0,0,1,0,0,1|2,0,0]=4 2183 B19R2.1289 C=CCCCCSCc1ccc2ncccc2c1 62a_100011215482_100000703657 [0,0,1,0,0,1|2,0,0]=4 2184 B19R2.1289 C=CCCCCSCc1ccc2nccnc2c1 62a_100011215482_200011762199 [0,0,1,0,0,1|1,0,1]=4 2185 B19R2.1289 C=CCCCCSCc1ccc2nccnc2c1 62a_200011762199_100011215482 [0,0,1,0,0,1|1,0,1]=4 2186 B19R2.1289 C=COCCCNCc1ccc2cnccc2c1 207a_100000210767_100000068276 [0,0,1,0,0,1|2,0,0]=4 2187 B19R2.1289 C=COCCCNCc1ccc2cnccc2c1 2230a_100000210767_100020605334 [0,0,1,0,0,1|2,0,0]=4 2188 B19R2.1289 C=COCCCNCc1ccc2cnccc2c1 270004a_100000210767_100000068276 [0,0,1,0,0,1|2,0,0]=4 2189 B19R2.1289 C=COCCCNCc1ccc2cnccc2c1 34a_100000210767_100020605334 [0,0,1,0,0,1|2,0,0]=4 2190 B19R2.1289 C=COCCCNCc1ccc2ncccc2c1 207a_100000210767_100000211315 [0,0,1,0,0,1|2,0,0]=4 2191 B19R2.1289 C=COCCCNCc1ccc2ncccc2c1 2230a_100000210767_100000703657 [0,0,1,0,0,1|2,0,0]=4 2192 B19R2.1289 C=COCCCNCc1ccc2ncccc2c1 270004a_100000210767_100000211315 [0,0,1,0,0,1|2,0,0]=4 2193 B19R2.1289 C=COCCCNCc1ccc2ncccc2c1 34a_100000210767_100000703657 [0,0,1,0,0,1|2,0,0]=4 2194 B19R2.1289 C=COCCCNCc1ccc2nccnc2c1 2230a_100000210767_200011762199 [0,0,1,0,0,1|1,0,1]=4 2195 B19R2.1289 C=COCCCNCc1ccc2nccnc2c1 270004a_100000210767_100000239887 [0,0,1,0,0,1|1,0,1]=4 2196 B19R2.1289 CC/C=C\CCNCc1ccc2ccccc2c1 2230a_100000739491_100015370543 [0,0,1,0,0,1|2,0,0]=4 2197 B19R2.1289 CC/C=C\CCNCc1ccc2ccccc2c1 34a_100000739491_100015370543 [0,0,1,0,0,1|2,0,0]=4 2198 B19R2.1289 CC/C=C\CCNCc1ccc2ncccc2c1 34a_100000238500_100015370543 [0,0,1,0,0,1|1,0,0]=3 2199 B19R2.1289 CC/C=C\CCOCc1ccc2cnccc2c1 34a_100016288707_100020605334 [0,0,1,0,0,1|2,0,0]=4 2200 B19R2.1289 CC/C=C\CCOCc1ccc2cnccc2c1 7a_100016288707_100020605334 [0,0,1,0,0,1|2,0,0]=4 2201 B19R2.1289 CC/C=C\CCOCc1ccc2ncccc2c1 34a_100011315636_100015370543 [0,0,1,0,0,1|2,0,0]=4 2202 B19R2.1289 CC/C=C\CCOCc1ccc2ncccc2c1 34a_100016288707_100000703657 [0,0,1,0,0,1|2,0,0]=4 2203 B19R2.1289 CC/C=C\CCOCc1ccc2ncccc2c1 7a_100016288707_100000703657 [0,0,1,0,0,1|2,0,0]=4 2204 B19R2.1289 CC/C=C\CCOCc1ccc2nccnc2c1 7a_100016288707_200011762199 [0,0,1,0,0,1|1,0,1]=4 2205 B19R2.1289 CC/C=C\CCSCc1ccc2cnccc2c1 62a_100015370543_100020605334 [0,0,1,0,0,1|2,0,0]=4 2206 B19R2.1289 CC/C=C\CCSCc1ccc2cnccc2c1 62a_100020605334_100015370543 [0,0,1,0,0,1|2,0,0]=4 2207 B19R2.1289 CC/C=C\CCSCc1ccc2ncccc2c1 62a_100000703657_100015370543 [0,0,1,0,0,1|2,0,0]=4 2208 B19R2.1289 CC/C=C\CCSCc1ccc2ncccc2c1 62a_100015370543_100000703657 [0,0,1,0,0,1|2,0,0]=4 2209 B19R2.1289 CC/C=C\CCSCc1ccc2nccnc2c1 62a_100015370543_200011762199 [0,0,1,0,0,1|1,0,1]=4 2210 B19R2.1289 CC/C=C\CCSCc1ccc2nccnc2c1 62a_200011762199_100015370543 [0,0,1,0,0,1|1,0,1]=4 2211 B19R3.1776237 c1cc2cc(ccc2cn1)CNCC3CCC3 207a_100000738700_100000068276 [0,0,0,0,1,1|1,0,1]=4 2212 B19R3.1776237 c1cc2cc(ccc2cn1)CNCC3CCC3 2230a_100000738700_100020605334 [0,0,0,0,1,1|1,0,1]=4 2213 B19R3.1776237 c1cc2cc(ccc2cn1)CNCC3CCC3 270004a_100000738700_100000068276 [0,0,0,0,1,1|1,0,1]=4 2214 B19R3.1776237 c1cc2cc(ccc2cn1)CNCC3CCC3 34a_100000738700_100020605334 [0,0,0,0,1,1|1,0,1]=4 2215 B19R3.1776237 c1cc2cc(ccc2cn1)CNC[C@@H]3CCO3 207a_100020831831_100000068276 [0,0,0,0,1,1|2,0,0]=4 2216 B19R3.1776237 c1cc2cc(ccc2cn1)CNC[C@@H]3CCO3 2230a_100020831831_100020605334 [0,0,0,0,1,1|2,0,0]=4 2217 B19R3.1776237 c1cc2cc(ccc2cn1)CNC[C@@H]3CCO3 270004a_100020831831_100000068276 [0,0,0,0,1,1|2,0,0]=4 2218 B19R3.1776237 c1cc2cc(ccc2cn1)CNC[C@@H]3CCO3 34a_100020831831_100020605334 [0,0,0,0,1,1|2,0,0]=4 2219 B19R3.1776237 c1cnc2cc(ccc2n1)CNCC3CCC3 2230a_100000738700_200011762199 [0,0,0,0,1,1|0,0,2]=4 2220 B19R3.1776237 c1cnc2cc(ccc2n1)CNCC3CCC3 269862a_106354213004_100000753134 [0,0,0,0,1,1|0,0,2]=4 2221 B19R3.1776237 c1cnc2cc(ccc2n1)CNCC3CCC3 270004a_100000738700_100000239887 [0,0,0,0,1,1|0,0,2]=4 2222 B19R3.1776237 c1cnc2cc(ccc2n1)CNC[C@@H]3CCO3 2230a_100020831831_200011762199 [0,0,0,0,1,1|1,0,1]=4 2223 B19R3.1776237 c1cnc2cc(ccc2n1)CNC[C@@H]3CCO3 270004a_100020831831_100000239887 [0,0,0,0,1,1|1,0,1]=4 2224 B19R3.1776237 c1cnc2ccc(cc2c1)CNCC3CCC3 207a_100000738700_100000211315 [0,0,0,0,1,1|1,0,1]=4 2225 B19R3.1776237 c1cnc2ccc(cc2c1)CNCC3CCC3 2230a_100000738700_100000703657 [0,0,0,0,1,1|1,0,1]=4 2226 B19R3.1776237 c1cnc2ccc(cc2c1)CNCC3CCC3 269862a_100000238500_100000753134 [0,0,0,0,1,1|1,0,1]=4 2227 B19R3.1776237 c1cnc2ccc(cc2c1)CNCC3CCC3 270004a_100000738700_100000211315 [0,0,0,0,1,1|1,0,1]=4 2228 B19R3.1776237 c1cnc2ccc(cc2c1)CNCC3CCC3 34a_100000238500_100000763275 [0,0,0,0,1,1|1,0,1]=4 2229 B19R3.1776237 c1cnc2ccc(cc2c1)CNCC3CCC3 34a_100000738700_100000703657 [0,0,0,0,1,1|1,0,1]=4 2230 B19R3.1776237 c1cnc2ccc(cc2c1)CNCC3CCO3 34a_100000238500_100000103362 [0,0,0,0,1,1|2,0,0]=4 2231 B19R3.1776237 c1cnc2ccc(cc2c1)CNC[C@@H]3CCO3 207a_100020831831_100000211315 [0,0,0,0,1,1|2,0,0]=4 2232 B19R3.1776237 c1cnc2ccc(cc2c1)CNC[C@@H]3CCO3 2230a_100020831831_100000703657 [0,0,0,0,1,1|2,0,0]=4 2233 B19R3.1776237 c1cnc2ccc(cc2c1)CNC[C@@H]3CCO3 270004a_100020831831_100000211315 [0,0,0,0,1,1|2,0,0]=4 2234 B19R3.1776237 c1cnc2ccc(cc2c1)CNC[C@@H]3CCO3 34a_100020831831_100000703657 [0,0,0,0,1,1|2,0,0]=4 2235 B21R3.47683 c1nc2ccc(cc2[nH]1)CNCCCC3CCCC3 207a_100000736752_100000059205 [0,0,0,0,0,2|0,0,2]=4 2236 B21R3.47683 c1nc2ccc(cc2[nH]1)CNCCCC3CCCC3 270004a_100000736752_100000059205 [0,0,0,0,0,2|0,0,2]=4 2237 B21R3.47683 c1nc2ccc(cc2[nH]1)CNCCOC3CCCC3 207a_100000741755_100000059205 [0,0,0,0,0,2|0,0,2]=4 2238 B21R3.47683 c1nc2ccc(cc2[nH]1)CNCCOC3CCCC3 270004a_100000741755_100000059205 [0,0,0,0,0,2|0,0,2]=4 2239 B21R3.47810 C1=C(CCCC1)CCNCc2ccc3nc[nH]c3c2 207a_100000212019_100000059205 [0,0,0,0,0,2|0,0,2]=4 2240 B21R3.47810 C1=C(CCCC1)CCNCc2ccc3nc[nH]c3c2 270004a_100000212019_100000059205 [0,0,0,0,0,2|0,0,2]=4 2241 B21R3.47810 c1nc2ccc(cc2[nH]1)CNCCC3CCCCC3 207a_100000738074_100000059205 [0,0,0,0,0,2|0,0,2]=4 2242 B21R3.47810 c1nc2ccc(cc2[nH]1)CNCCC3CCCCC3 270004a_100000738074_100000059205 [0,0,0,0,0,2|0,0,2]=4 2243 B21R3.47810 c1nc2ccc(cc2[nH]1)CNCCC3CCCCO3 207a_100015183643_100000059205 [0,0,0,0,0,2|0,0,2]=4 2244 B21R3.47810 c1nc2ccc(cc2[nH]1)CNCCC3CCCCO3 270004a_100015183643_100000059205 [0,0,0,0,0,2|0,0,2]=4 2245 B21R3.47810 c1nc2ccc(cc2[nH]1)CNCCC3CCOCC3 207a_100000755988_100000059205 [0,0,0,0,0,2|0,0,2]=4 2246 B21R3.47810 c1nc2ccc(cc2[nH]1)CNCCC3CCOCC3 270004a_100000755988_100000059205 [0,0,0,0,0,2|0,0,2]=4 2247 B21R3.47750 C1=CCC(CC1)CNCc2ccc3ccccc3c2 270004a_100000739491_100000189434 [0,0,0,0,0,2|2,0,0]=4 2248 B21R3.47750 C1=CCC(CC1)CNCc2ccc3ncccc3c2 270004a_100000238500_100000189434 [0,0,0,0,0,2|1,0,0]=3 2249 B21R3.47750 C1=CCC(CC1)CNCc2ccc3nccnc3c2 270004a_106354213004_100000189434 [0,0,0,0,0,2|0,0,1]=3 2250 B21R3.47750 C1=CCC(CC1)COCc2ccc3cnccc3c2 34a_100000210713_100020605334 [0,0,0,0,0,2|2,0,0]=4 2251 B21R3.47750 C1=CCC(CC1)COCc2ccc3ncccc3c2 34a_100000210713_100000703657 [0,0,0,0,0,2|2,0,0]=4 2252 B21R3.47750 C1=COC(CC1)COCc2ccc3cnccc3c2 34a_100011217868_100020605334 [0,0,0,0,0,2|2,0,0]=4 2253 B21R3.47750 C1=COC(CC1)COCc2ccc3ncccc3c2 34a_100011217868_100000703657 [0,0,0,0,0,2|2,0,0]=4 2254 B21R3.2154350 c1nc2ccc(cc2[nH]1)CNCC3CCCCCC3 207a_100015204231_100000059205 [0,0,0,0,0,2|0,0,2]=4 2255 B21R3.2154350 c1nc2ccc(cc2[nH]1)CNCC3CCCCCC3 270004a_100015204231_100000059205 [0,0,0,0,0,2|0,0,2]=4