0 B17R2.2342 CC(=NNC1CCOCC1)c2cnccn2 4a_100000687383_100000751083 [0,0,0,0,0,0|3,0,1]=4 1 B17R2.2342 CC(NCC1CCCCC1)c2cnccn2 2230a_100000210473_200000703233 [0,0,0,0,0,0|3,0,1]=4 2 B17R2.2342 CC(NCC1CCCCC1)c2cnccn2 269862a_100000210473_100000751083 [0,0,0,0,0,0|3,0,1]=4 3 B17R2.2342 CC(NCC1CCOCC1)c2ccccn2 2230a_100000181244_100000754603 [0,0,0,0,0,0|3,0,1]=4 4 B17R2.2342 CC(NCC1CCOCC1)c2ccccn2 269862a_100000181244_100000749017 [0,0,0,0,0,0|3,0,1]=4 5 B17R2.2342 CC(NCC1CCOCC1)c2ccccn2 269862a_100000746373_100000210467 [0,0,0,0,0,0|3,0,1]=4 6 B17R2.2342 CC(NCC1CCOCC1)c2cccnc2 2230a_100000195435_100000754603 [0,0,0,0,0,0|3,0,1]=4 7 B17R2.2342 CC(NCC1CCOCC1)c2cccnc2 269862a_100000195435_100000749017 [0,0,0,0,0,0|3,0,1]=4 8 B17R2.2342 CC(NCC1CCOCC1)c2cccnc2 269862a_100000746373_100000210468 [0,0,0,0,0,0|3,0,1]=4 9 B17R2.2342 CC(NCC1CCOCC1)c2cnccn2 2230a_100000746373_200000703233 [0,0,0,0,0,0|2,0,1]=3 10 B17R2.2342 CC(NCC1CCOCC1)c2cnccn2 269862a_100000746373_100000751083 [0,0,0,0,0,0|2,0,1]=3 11 B17R2.2342 CC(NCC1CCSCC1)c2cnccn2 2230a_100015188806_200000703233 [0,0,0,0,0,0|2,1,1]=4 12 B17R2.2342 CC(NCC1CCSCC1)c2cnccn2 269862a_100015188806_100000751083 [0,0,0,0,0,0|2,1,1]=4 13 B17R2.2342 CC(SCC1CCOCC1)c2cnccn2 62a_100000754603_200000703233 [0,0,0,0,0,0|3,0,1]=4 14 B17R2.2342 CC(SCC1CCOCC1)c2cnccn2 62a_200000703233_100000749018 [0,0,0,0,0,0|3,0,1]=4 15 B17R2.2342 CN(CCN1CCOCC1)c2cnccn2 27a_100000225678_100000211759 [0,0,0,0,0,0|3,0,0]=3 16 B17R2.2342 C[C@@H](NCC1CCCCC1)c2cnccn2 2230a_100020589798_100000211423 [0,0,0,0,0,0|3,0,1]=4 17 B17R2.2342 C[C@@H](NCC1CCCCC1)c2cnccn2 269862a_100020589798_100000211278 [0,0,0,0,0,0|3,0,1]=4 18 B17R2.2342 C[C@@H](NCC1CCOCC1)c2cnccn2 2230a_100020589798_100000754603 [0,0,0,0,0,0|2,0,1]=3 19 B17R2.2342 C[C@@H](NCC1CCOCC1)c2cnccn2 269862a_100020589798_100000749017 [0,0,0,0,0,0|2,0,1]=3 20 B17R2.2342 C[C@@H](NCC1CCSCC1)c2cnccn2 269862a_100020589798_100000067145 [0,0,0,0,0,0|2,1,1]=4 21 B17R2.2342 C[C@@H](NCC1CCSCC1)c2cnccn2 270004a_100020589798_100000067145 [0,0,0,0,0,0|2,1,1]=4 22 B17R2.2342 O=C(CCC1CCOCC1)c2ccccc2 1458a_100000185807_100011934994 [0,0,0,0,0,0|4,0,0]=4 23 B17R2.2342 O=C(CCN1CCCCC1)c2ccccc2 1458a_100000185807_100000739454 [0,0,0,0,0,0|4,0,0]=4 24 B17R2.2342 O=C(CCN1CCOCC1)c2ccccc2 1458a_100000185807_100000753993 [0,0,0,0,0,0|3,0,0]=3 25 B17R2.2342 O=C(CCN1CCOCC1)c2ccccc2 2230a_100015191051_100000750707 [0,0,0,0,0,0|3,0,0]=3 26 B17R2.2342 O=C(CCN1CCOCC1)c2ccccc2 269982a_100015191051_100000750707 [0,0,0,0,0,0|3,0,0]=3 27 B17R2.2342 O=C(CCN1CCSCC1)c2ccccc2 2230a_100000737611_100000750707 [0,0,0,0,0,0|3,1,0]=4 28 B17R2.2342 O=C(CCN1CCSCC1)c2ccccc2 269982a_100000737611_100000750707 [0,0,0,0,0,0|3,1,0]=4 29 B17R2.2342 O=C(CNC1CCOCC1)c2ccccn2 34a_100000741149_100000027445 [0,0,0,0,0,0|4,0,0]=4 30 B17R2.2342 O=C(COC1CCOCC1)c2ccccn2 34a_100000744328_100000027445 [0,0,0,0,0,0|4,0,0]=4 31 B17R2.2342 O=C(CSC1CCOCC1)c2ccccn2 62a_100000027445_100011324220 [0,0,0,0,0,0|4,0,0]=4 32 B17R2.2342 O=C(CSC1CCOCC1)c2cccnc2 62a_100000757877_100011324220 [0,0,0,0,0,0|4,0,0]=4 33 B17R2.2342 O=C(NCC1CCCCC1)c2ccccc2 11a_100000210473_100000185807 [0,0,0,0,0,0|4,0,0]=4 34 B17R2.2342 O=C(NCC1CCCCC1)c2ccccc2 1626a_100000210473_100000185807 [0,0,0,0,0,0|4,0,0]=4 35 B17R2.2342 O=C(NCC1CCCCC1)c2ccccc2 240690a_100000210473_100000185807 [0,0,0,0,0,0|4,0,0]=4 36 B17R2.2342 O=C(NCC1CCCCC1)c2ccccc2 527a_100000210473_100000185807 [0,0,0,0,0,0|4,0,0]=4 37 B17R2.2342 O=C(NCC1CCOCC1)c2ccccc2 11a_100000746373_100000185807 [0,0,0,0,0,0|3,0,0]=3 38 B17R2.2342 O=C(NCC1CCOCC1)c2ccccc2 1626a_100000746373_100000185807 [0,0,0,0,0,0|3,0,0]=3 39 B17R2.2342 O=C(NCC1CCOCC1)c2ccccc2 240690a_100000746373_100000185807 [0,0,0,0,0,0|3,0,0]=3 40 B17R2.2342 O=C(NCC1CCOCC1)c2ccccc2 527a_100000746373_100000185807 [0,0,0,0,0,0|3,0,0]=3 41 B17R2.2342 O=C(NCC1CCSCC1)c2ccccc2 11a_100015188806_100000185807 [0,0,0,0,0,0|3,1,0]=4 42 B17R2.2342 O=C(NCC1CCSCC1)c2ccccc2 240690a_100015188806_100000185807 [0,0,0,0,0,0|3,1,0]=4 43 B17R2.2342 O=C(NCC1CCSCC1)c2ccccc2 527a_100015188806_100000185807 [0,0,0,0,0,0|3,1,0]=4 44 B17R2.2342 O=C(NN=C1CCCCC1)c2ccccn2 4a_100000184044_100000210434 [0,0,0,0,0,0|4,0,0]=4 45 B17R2.2342 O=C(NN=C1CCCCC1)c2cccnc2 4a_100000189771_100000210434 [0,0,0,0,0,0|4,0,0]=4 46 B17R2.2342 O=C(NN=C1CCCCC1)c2cnccn2 4a_100000189795_100000210434 [0,0,0,0,0,0|3,0,0]=3 47 B17R2.2342 O=C(NN=C1CCCOC1)c2cnccn2 4a_100000189795_100000753404 [0,0,0,0,0,0|4,0,0]=4 48 B17R2.2342 O=C(NN=C1CCCSC1)c2cnccn2 4a_100000189795_100000057913 [0,0,0,0,0,0|4,0,0]=4 49 B17R2.2342 O=C(NN=C1CCOCC1)c2ccccc2 4a_100000184135_100011217826 [0,0,0,0,0,0|4,0,0]=4 50 B17R2.2342 O=C(NN=C1CCOCC1)c2ccccn2 4a_100000184044_100011217826 [0,0,0,0,0,0|3,0,0]=3 51 B17R2.2342 O=C(NN=C1CCOCC1)c2cccnc2 4a_100000189771_100011217826 [0,0,0,0,0,0|3,0,0]=3 52 B17R2.2342 O=C(NN=C1CCOCC1)c2ccncn2 4a_100000084330_100011217826 [0,0,0,0,0,0|4,0,0]=4 53 B17R2.2342 O=C(NN=C1CCOCC1)c2cnccn2 4a_100000189795_100011217826 [0,0,0,0,0,0|2,0,0]=2 54 B17R2.2342 O=C(NN=C1CCSCC1)c2ccccn2 4a_100000184044_100000203788 [0,0,0,0,0,0|3,1,0]=4 55 B17R2.2342 O=C(NN=C1CCSCC1)c2cccnc2 4a_100000189771_100000203788 [0,0,0,0,0,0|3,1,0]=4 56 B17R2.2342 O=C(NN=C1CCSCC1)c2cnccn2 4a_100000189795_100000203788 [0,0,0,0,0,0|2,1,0]=3 57 B17R2.2342 O=C(NNC1CCOCC1)c2ccccc2 22a_100000687383_100000185807 [0,0,0,0,0,0|4,0,0]=4 58 B17R2.2342 O=C(OCN1CCOCC1)c2ccccc2 269982a_100015191051_100000073877 [0,0,0,0,0,0|3,0,0]=3 59 B17R2.2342 O=C(OCN1CCSCC1)c2ccccc2 269982a_100000737611_100000073877 [0,0,0,0,0,0|3,1,0]=4 60 B17R2.2342 O=S(CCN1CCOCC1)c2ccccc2 2230a_100015191051_100000740319 [0,0,0,0,0,0|4,0,0]=4 61 B17R2.2342 O=S(CCN1CCOCC1)c2ccccc2 269982a_100015191051_100000740319 [0,0,0,0,0,0|4,0,0]=4 62 B16R2.2256 C(=C/c1ccccc1)\CN2CCOCC2 2230a_100015191051_100016265936 [1,0,0,0,0,0|3,0,0]=4 63 B16R2.2256 C(=C/c1ccccc1)\CN2CCOCC2 269982a_100015191051_100016265936 [1,0,0,0,0,0|3,0,0]=4 64 B16R2.2256 C(=C/c1ccccc1)\CN2CCOCC2 34a_100015191051_100016265936 [1,0,0,0,0,0|3,0,0]=4 65 B16R2.2256 C(=Cc1ccccc1)CN2CCOCC2 270004a_100015191051_100000210105 [1,0,0,0,0,0|3,0,0]=4 66 B16R2.2256 C(=NNC1CCOCC1)c2cnccn2 4a_100000687383_100000749867 [1,0,0,0,0,0|2,0,1]=4 67 B16R2.2256 c1ccc(nc1)CNCC2CCOCC2 207a_100000746373_100000209966 [1,0,0,0,0,0|2,0,1]=4 68 B16R2.2256 c1ccc(nc1)CNCC2CCOCC2 2230a_100000746373_100000721315 [1,0,0,0,0,0|2,0,1]=4 69 B16R2.2256 c1ccc(nc1)CNCC2CCOCC2 270004a_100000746373_100000209966 [1,0,0,0,0,0|2,0,1]=4 70 B16R2.2256 c1ccc(nc1)CNCC2CCOCC2 34a_100000746373_100000721315 [1,0,0,0,0,0|2,0,1]=4 71 B16R2.2256 c1ccc(nc1)SCCN2CCOCC2 62a_100011216584_100000211760 [1,0,0,0,0,0|3,0,0]=4 72 B16R2.2256 c1cnc(cn1)CNCC2CCCCC2 2230a_100000210473_100016995436 [1,0,0,0,0,0|2,0,1]=4 73 B16R2.2256 c1cnc(cn1)CNCC2CCCCC2 270004a_100000210473_100000749867 [1,0,0,0,0,0|2,0,1]=4 74 B16R2.2256 c1cnc(cn1)CNCC2CCCCC2 34a_100000210473_100016995436 [1,0,0,0,0,0|2,0,1]=4 75 B16R2.2256 c1cnc(cn1)CNCC2CCOCC2 2230a_100000746373_100016995436 [1,0,0,0,0,0|1,0,1]=3 76 B16R2.2256 c1cnc(cn1)CNCC2CCOCC2 270004a_100000746373_100000749867 [1,0,0,0,0,0|1,0,1]=3 77 B16R2.2256 c1cnc(cn1)CNCC2CCOCC2 34a_100000746373_100016995436 [1,0,0,0,0,0|1,0,1]=3 78 B16R2.2256 c1cnc(cn1)CNCC2CCSCC2 2230a_100015188806_100016995436 [1,0,0,0,0,0|1,1,1]=4 79 B16R2.2256 c1cnc(cn1)CNCC2CCSCC2 270004a_100015188806_100000749867 [1,0,0,0,0,0|1,1,1]=4 80 B16R2.2256 c1cnc(cn1)CNCC2CCSCC2 34a_100015188806_100016995436 [1,0,0,0,0,0|1,1,1]=4 81 B16R2.2256 c1cnc(cn1)COCC2CCOCC2 34a_100000749013_100016995436 [1,0,0,0,0,0|2,0,1]=4 82 B16R2.2256 c1cnc(cn1)CSCC2CCOCC2 62a_100000754603_100016995436 [1,0,0,0,0,0|2,0,1]=4 83 B16R2.2256 c1cnc(cn1)CSCC2CCOCC2 62a_100016995436_100000749018 [1,0,0,0,0,0|2,0,1]=4 84 B16R2.2256 c1cnc(cn1)NCCC2CCOCC2 27a_100000755988_100000211759 [1,0,0,0,0,0|3,0,0]=4 85 B16R2.2256 c1cnc(cn1)NCCN2CCCCC2 27a_100000216509_100000211759 [1,0,0,0,0,0|3,0,0]=4 86 B16R2.2256 c1cnc(cn1)NCCN2CCOCC2 27a_100000211067_100000211759 [1,0,0,0,0,0|2,0,0]=3 87 B16R2.2256 c1cnc(cn1)NCCN2CCSCC2 27a_100000755026_100000211759 [1,0,0,0,0,0|2,1,0]=4 88 B16R2.2256 c1cnc(cn1)SCCC2CCOCC2 62a_100000211759_100011934994 [1,0,0,0,0,0|3,0,0]=4 89 B16R2.2256 c1cnc(cn1)SCCC2CCOCC2 62a_100011934994_100000211759 [1,0,0,0,0,0|3,0,0]=4 90 B16R2.2256 c1cnc(cn1)SCCN2CCCCC2 62a_100000211759_100000739454 [1,0,0,0,0,0|3,0,0]=4 91 B16R2.2256 c1cnc(cn1)SCCN2CCCCC2 62a_100000739454_100000211759 [1,0,0,0,0,0|3,0,0]=4 92 B16R2.2256 c1cnc(cn1)SCCN2CCOCC2 62a_100000211759_100000211760 [1,0,0,0,0,0|2,0,0]=3 93 B16R2.2256 c1cncc(c1)CNCC2CCOCC2 207a_100000746373_100000209961 [1,0,0,0,0,0|2,0,1]=4 94 B16R2.2256 c1cncc(c1)CNCC2CCOCC2 2230a_100000746373_100000741622 [1,0,0,0,0,0|2,0,1]=4 95 B16R2.2256 c1cncc(c1)CNCC2CCOCC2 269862a_100000210453_100000749017 [1,0,0,0,0,0|2,0,1]=4 96 B16R2.2256 c1cncc(c1)CNCC2CCOCC2 270004a_100000746373_100000209961 [1,0,0,0,0,0|2,0,1]=4 97 B16R2.2256 c1cncc(c1)CNCC2CCOCC2 34a_100000746373_100000733263 [1,0,0,0,0,0|2,0,1]=4 98 B16R2.2256 c1cncc(c1)OCCN2CCOCC2 7a_100000210849_100000211760 [1,0,0,0,0,0|3,0,0]=4 99 B16R2.2256 c1cncc(c1)SCCN2CCOCC2 62a_100000210063_100000211760 [1,0,0,0,0,0|3,0,0]=4 100 B18R2.253 CC(NCC1CCOCC1)c2cnc(cn2)Cl 269862a_100000746373_100009883172 [0,1,0,0,0,0|2,0,1]=4 101 B18R2.253 CC(NCC1CCOCC1)c2cnc(cn2)Cl 270004a_100000746373_100009883172 [0,1,0,0,0,0|2,0,1]=4 102 B18R2.253 CN(CCN1CCOCC1)c2cnc(cn2)Br 27a_100000225678_100010187541 [0,1,0,0,0,0|3,0,0]=4 103 B18R2.253 CN(CCN1CCOCC1)c2cnc(cn2)F 27a_100000225678_100009856528 [0,1,0,0,0,0|3,0,0]=4 104 B18R2.253 Cc1ccc(cc1)C(=O)CCN2CCOCC2 1458a_100000188618_100000753993 [0,1,0,0,0,0|3,0,0]=4 105 B18R2.253 Cc1ccc(cc1)C(=O)CCN2CCOCC2 2230a_100015191051_100000701375 [0,1,0,0,0,0|3,0,0]=4 106 B18R2.253 Cc1ccc(cc1)C(=O)CCN2CCOCC2 269982a_100015191051_100000701375 [0,1,0,0,0,0|3,0,0]=4 107 B18R2.253 Cc1ccc(cc1)C(=O)NCC2CCOCC2 11a_100000746373_100000188618 [0,1,0,0,0,0|3,0,0]=4 108 B18R2.253 Cc1ccc(cc1)C(=O)NCC2CCOCC2 1626a_100000746373_100000188618 [0,1,0,0,0,0|3,0,0]=4 109 B18R2.253 Cc1ccc(cc1)C(=O)NCC2CCOCC2 240690a_100000746373_100000188618 [0,1,0,0,0,0|3,0,0]=4 110 B18R2.253 Cc1ccc(cc1)C(=O)NCC2CCOCC2 527a_100000746373_100000188618 [0,1,0,0,0,0|3,0,0]=4 111 B18R2.253 Cc1ccc(cn1)C(=O)NN=C2CCOCC2 4a_100011193134_100011217826 [0,1,0,0,0,0|3,0,0]=4 112 B18R2.253 Cc1cnc(cn1)C(=O)NN=C2CCCCC2 4a_100000189800_100000210434 [0,1,0,0,0,0|3,0,0]=4 113 B18R2.253 Cc1cnc(cn1)C(=O)NN=C2CCOCC2 4a_100000189800_100011217826 [0,1,0,0,0,0|2,0,0]=3 114 B18R2.253 Cc1cnc(cn1)C(=O)NN=C2CCSCC2 4a_100000189800_100000203788 [0,1,0,0,0,0|2,1,0]=4 115 B18R2.253 Cc1cnc(cn1)N(C)CCN2CCOCC2 27a_100000225678_100000074397 [0,1,0,0,0,0|3,0,0]=4 116 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)Br 1458a_100000185839_100000753993 [0,1,0,0,0,0|3,0,0]=4 117 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)Br 269982a_100015191051_100011215963 [0,1,0,0,0,0|3,0,0]=4 118 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)Cl 1458a_100000210187_100000753993 [0,1,0,0,0,0|3,0,0]=4 119 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)Cl 269982a_100015191051_100011216492 [0,1,0,0,0,0|3,0,0]=4 120 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)F 1458a_100000187176_100000753993 [0,1,0,0,0,0|3,0,0]=4 121 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)F 2230a_100015191051_100000211231 [0,1,0,0,0,0|3,0,0]=4 122 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)F 269982a_100015191051_100000211231 [0,1,0,0,0,0|3,0,0]=4 123 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)I 1458a_100000187904_100000753993 [0,1,0,0,0,0|3,0,0]=4 124 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)O 1458a_100000212099_100000753993 [0,1,0,0,0,0|3,0,0]=4 125 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)O 2230a_100015191051_100009879949 [0,1,0,0,0,0|3,0,0]=4 126 B18R2.253 O=C(CCN1CCOCC1)c2ccc(cc2)O 269982a_100015191051_100009879949 [0,1,0,0,0,0|3,0,0]=4 127 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)Br 11a_100000746373_100000185839 [0,1,0,0,0,0|3,0,0]=4 128 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)Br 1626a_100000746373_100000185839 [0,1,0,0,0,0|3,0,0]=4 129 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)Br 240690a_100000746373_100000185839 [0,1,0,0,0,0|3,0,0]=4 130 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)Br 527a_100000746373_100000185839 [0,1,0,0,0,0|3,0,0]=4 131 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)Cl 11a_100000746373_100000210187 [0,1,0,0,0,0|3,0,0]=4 132 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)Cl 1626a_100000746373_100000210187 [0,1,0,0,0,0|3,0,0]=4 133 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)Cl 240690a_100000746373_100000210187 [0,1,0,0,0,0|3,0,0]=4 134 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)Cl 527a_100000746373_100000210187 [0,1,0,0,0,0|3,0,0]=4 135 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)F 11a_100000746373_100000187176 [0,1,0,0,0,0|3,0,0]=4 136 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)F 1626a_100000746373_100000187176 [0,1,0,0,0,0|3,0,0]=4 137 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)F 240690a_100000746373_100000187176 [0,1,0,0,0,0|3,0,0]=4 138 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)F 527a_100000746373_100000187176 [0,1,0,0,0,0|3,0,0]=4 139 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)I 11a_100000746373_100000187904 [0,1,0,0,0,0|3,0,0]=4 140 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)I 1626a_100000746373_100000187904 [0,1,0,0,0,0|3,0,0]=4 141 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)I 240690a_100000746373_100000187904 [0,1,0,0,0,0|3,0,0]=4 142 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)I 527a_100000746373_100000187904 [0,1,0,0,0,0|3,0,0]=4 143 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)O 240690a_100000746373_100000212099 [0,1,0,0,0,0|3,0,0]=4 144 B18R2.253 O=C(NCC1CCOCC1)c2ccc(cc2)O 527a_100000746373_100000212099 [0,1,0,0,0,0|3,0,0]=4 145 B18R2.253 O=C(NN=C1CCCCC1)c2cnc(cn2)Cl 4a_200012021860_100000210434 [0,1,0,0,0,0|3,0,0]=4 146 B18R2.253 O=C(NN=C1CCOCC1)c2ccc(cn2)Br 4a_100011781063_100011217826 [0,1,0,0,0,0|3,0,0]=4 147 B18R2.253 O=C(NN=C1CCOCC1)c2ccc(cn2)Cl 4a_100012017650_100011217826 [0,1,0,0,0,0|3,0,0]=4 148 B18R2.253 O=C(NN=C1CCOCC1)c2ccc(cn2)F 4a_100012021870_100011217826 [0,1,0,0,0,0|3,0,0]=4 149 B18R2.253 O=C(NN=C1CCOCC1)c2ccc(nc2)Cl 4a_100000189807_100011217826 [0,1,0,0,0,0|3,0,0]=4 150 B18R2.253 O=C(NN=C1CCOCC1)c2cnc(cn2)Cl 4a_200012021860_100011217826 [0,1,0,0,0,0|2,0,0]=3 151 B18R2.253 O=C(NN=C1CCSCC1)c2cnc(cn2)Cl 4a_200012021860_100000203788 [0,1,0,0,0,0|2,1,0]=4 152 B18R2.257 C=C1CCC(=NNC(=O)c2cnccn2)CC1 4a_100000189795_100010272673 [0,1,0,0,0,0|3,0,0]=4 153 B18R2.257 CC1CCC(=NNC(=O)c2cnccn2)CC1 4a_100000189795_100000185489 [0,1,0,0,0,0|3,0,0]=4 154 B18R2.257 O=C(NN=C1CCC(CC1)O)c2cnccn2 4a_100000189795_100000764474 [0,1,0,0,0,0|3,0,0]=4 155 B18R2.257 O=C(NN=C1CCS(=O)CC1)c2cnccn2 4a_100000189795_100000054990 [0,1,0,0,0,0|2,1,0]=4 156 B18R2.3606 CCC(NCC1CCOCC1)c2cnccn2 2230a_200016994365_100000754603 [0,1,0,0,0,0|2,0,1]=4 157 B18R2.3606 CCC(NCC1CCOCC1)c2cnccn2 269862a_200016994365_100000749017 [0,1,0,0,0,0|2,0,1]=4 158 B18R2.3634 CC(CN(C)c1cnccn1)N2CCOCC2 27a_100011673044_100000211759 [0,1,0,0,0,0|3,0,0]=4 159 B18R2.3634 CC(N[C@H](C)c1cnccn1)C2CCOCC2 269862a_100020589798_100000759496 [0,1,0,0,0,0|2,0,1]=4 160 B18R2.3634 C[C@@H](NC(=O)N1CCOCC1)c2cnccn2 2708a_100020589798_100015191051 [0,1,0,0,0,0|1,0,2]=4 161 B18R2.3634 C[C@@H](NC(=O)N1CCOCC1)c2cnccn2 273464a_100020589798_100015191051 [0,1,0,0,0,0|1,0,2]=4 162 B18R2.3990 CC1CCCCC1=NNC(=O)c2cnccn2 4a_100000189795_100000210921 [0,1,0,0,0,0|3,0,0]=4 163 B18R2.3990 CC1CNCCC1=NNC(=O)c2cnccn2 4a_100000189795_100000703950 [0,1,0,0,0,0|3,0,0]=4 164 B18R2.3990 CC1COCCC1=NNC(=O)c2ccccn2 4a_100000184044_100000755695 [0,1,0,0,0,0|3,0,0]=4 165 B18R2.3990 CC1COCCC1=NNC(=O)c2cccnc2 4a_100000189771_100000755695 [0,1,0,0,0,0|3,0,0]=4 166 B18R2.3990 CC1COCCC1=NNC(=O)c2cnccn2 4a_100000189795_100000755695 [0,1,0,0,0,0|2,0,0]=3 167 B18R2.3990 C[C@H]1COCCN1CCC(=O)c2ccccc2 2230a_100009815349_100000750707 [0,1,0,0,0,0|3,0,0]=4 168 B18R2.3990 C[C@H]1COCCN1CCC(=O)c2ccccc2 269982a_100009815349_100000750707 [0,1,0,0,0,0|3,0,0]=4 169 B18R2.3990 C[C@H]1COCCN1COC(=O)c2ccccc2 269982a_100009815349_100000073877 [0,1,0,0,0,0|3,0,0]=4 170 B18R2.3990 O=C(NN=C1CCCCC1F)c2cnccn2 4a_100000189795_100000061856 [0,1,0,0,0,0|3,0,0]=4 171 B18R2.3990 O=C(NN=C1CCCCC1O)c2cnccn2 4a_100000189795_100011214950 [0,1,0,0,0,0|3,0,0]=4 172 B18R2.3990 O=C(NN=C1CCOCC1F)c2ccccn2 4a_100000184044_100000117712 [0,1,0,0,0,0|3,0,0]=4 173 B18R2.3990 O=C(NN=C1CCOCC1F)c2cccnc2 4a_100000189771_100000117712 [0,1,0,0,0,0|3,0,0]=4 174 B18R2.3990 O=C(NN=C1CCOCC1F)c2cnccn2 4a_100000189795_100000117712 [0,1,0,0,0,0|2,0,0]=3 175 B18R2.4001 CC(NCC1CCOCC1)c2nccnc2Cl 269862a_100000746373_100000099859 [0,1,0,0,0,0|2,0,1]=4 176 B18R2.4001 CN(CCN1CCOCC1)c2nccnc2F 27a_100000225678_200010125657 [0,1,0,0,0,0|3,0,0]=4 177 B18R2.4001 Cc1ccccc1C(=O)CCN2CCOCC2 1458a_100000212026_100000753993 [0,1,0,0,0,0|3,0,0]=4 178 B18R2.4001 Cc1ccccc1C(=O)NCC2CCOCC2 11a_100000746373_100000212026 [0,1,0,0,0,0|3,0,0]=4 179 B18R2.4001 Cc1ccccc1C(=O)NCC2CCOCC2 1626a_100000746373_100000212026 [0,1,0,0,0,0|3,0,0]=4 180 B18R2.4001 Cc1ccccc1C(=O)NCC2CCOCC2 240690a_100000746373_100000212026 [0,1,0,0,0,0|3,0,0]=4 181 B18R2.4001 Cc1ccccc1C(=O)NCC2CCOCC2 527a_100000746373_100000212026 [0,1,0,0,0,0|3,0,0]=4 182 B18R2.4001 Cc1ncccc1C(=O)NN=C2CCOCC2 4a_100012021714_100011217826 [0,1,0,0,0,0|3,0,0]=4 183 B18R2.4001 Cc1nccnc1C(=O)NN=C2CCCCC2 4a_100011104864_100000210434 [0,1,0,0,0,0|3,0,0]=4 184 B18R2.4001 Cc1nccnc1C(=O)NN=C2CCOCC2 4a_100011104864_100011217826 [0,1,0,0,0,0|2,0,0]=3 185 B18R2.4001 Cc1nccnc1C(=O)NN=C2CCSCC2 4a_100011104864_100000203788 [0,1,0,0,0,0|2,1,0]=4 186 B18R2.4001 Cc1nccnc1C(C)NCC2CCOCC2 269862a_100000746373_100000702048 [0,1,0,0,0,0|2,0,1]=4 187 B18R2.4001 Cc1nccnc1N(C)CCN2CCOCC2 27a_100000225678_100011999405 [0,1,0,0,0,0|3,0,0]=4 188 B18R2.4001 O=C(CCN1CCOCC1)c2ccccc2Br 1458a_100000188424_100000753993 [0,1,0,0,0,0|3,0,0]=4 189 B18R2.4001 O=C(CCN1CCOCC1)c2ccccc2Cl 1458a_100000185844_100000753993 [0,1,0,0,0,0|3,0,0]=4 190 B18R2.4001 O=C(CCN1CCOCC1)c2ccccc2F 1458a_100000188656_100000753993 [0,1,0,0,0,0|3,0,0]=4 191 B18R2.4001 O=C(CCN1CCOCC1)c2ccccc2F 2230a_100015191051_100000086012 [0,1,0,0,0,0|3,0,0]=4 192 B18R2.4001 O=C(CCN1CCOCC1)c2ccccc2F 269982a_100015191051_100000086012 [0,1,0,0,0,0|3,0,0]=4 193 B18R2.4001 O=C(CCN1CCOCC1)c2ccccc2I 1458a_100000187884_100000753993 [0,1,0,0,0,0|3,0,0]=4 194 B18R2.4001 O=C(CCN1CCOCC1)c2ccccc2O 1458a_100015234032_100000753993 [0,1,0,0,0,0|3,0,0]=4 195 B18R2.4001 O=C(CCN1CCOCC1)c2ccccc2O 269982a_100015191051_100009873196 [0,1,0,0,0,0|3,0,0]=4 196 B18R2.4001 O=C(CCN1CCOCC1)c2ccccc2[O-] 1458a_100009911694_100000753993 [0,1,0,0,0,0|3,0,0]=4 197 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2Br 11a_100000746373_100000188424 [0,1,0,0,0,0|3,0,0]=4 198 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2Br 1626a_100000746373_100000188424 [0,1,0,0,0,0|3,0,0]=4 199 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2Br 240690a_100000746373_100000188424 [0,1,0,0,0,0|3,0,0]=4 200 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2Br 527a_100000746373_100000188424 [0,1,0,0,0,0|3,0,0]=4 201 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2Cl 11a_100000746373_100000185844 [0,1,0,0,0,0|3,0,0]=4 202 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2Cl 1626a_100000746373_100000185844 [0,1,0,0,0,0|3,0,0]=4 203 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2Cl 240690a_100000746373_100000185844 [0,1,0,0,0,0|3,0,0]=4 204 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2Cl 527a_100000746373_100000185844 [0,1,0,0,0,0|3,0,0]=4 205 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2F 11a_100000746373_100000188656 [0,1,0,0,0,0|3,0,0]=4 206 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2F 1626a_100000746373_100000188656 [0,1,0,0,0,0|3,0,0]=4 207 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2F 240690a_100000746373_100000188656 [0,1,0,0,0,0|3,0,0]=4 208 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2F 527a_100000746373_100000188656 [0,1,0,0,0,0|3,0,0]=4 209 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2I 11a_100000746373_100000187884 [0,1,0,0,0,0|3,0,0]=4 210 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2I 1626a_100000746373_100000187884 [0,1,0,0,0,0|3,0,0]=4 211 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2I 240690a_100000746373_100000187884 [0,1,0,0,0,0|3,0,0]=4 212 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2I 527a_100000746373_100000187884 [0,1,0,0,0,0|3,0,0]=4 213 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2O 240690a_100000746373_100015234032 [0,1,0,0,0,0|3,0,0]=4 214 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2[O-] 1626a_100000746373_100009911694 [0,1,0,0,0,0|3,0,0]=4 215 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2[O-] 240690a_100000746373_100009911694 [0,1,0,0,0,0|3,0,0]=4 216 B18R2.4001 O=C(NCC1CCOCC1)c2ccccc2[O-] 527a_100000746373_100009911694 [0,1,0,0,0,0|3,0,0]=4 217 B18R2.6463 CN(CCN1CCOCC1)c2cncc(n2)Cl 27a_100000225678_100010892449 [0,1,0,0,0,0|3,0,0]=4 218 B18R2.6463 CN(CCN1CCOCC1)c2cncc(n2)F 27a_100000225678_200009863489 [0,1,0,0,0,0|3,0,0]=4 219 B18R2.6463 Cc1cccc(c1)C(=O)CCN2CCOCC2 1458a_100000189346_100000753993 [0,1,0,0,0,0|3,0,0]=4 220 B18R2.6463 Cc1cccc(c1)C(=O)NCC2CCOCC2 11a_100000746373_100000189346 [0,1,0,0,0,0|3,0,0]=4 221 B18R2.6463 Cc1cccc(c1)C(=O)NCC2CCOCC2 1626a_100000746373_100000189346 [0,1,0,0,0,0|3,0,0]=4 222 B18R2.6463 Cc1cccc(c1)C(=O)NCC2CCOCC2 240690a_100000746373_100000189346 [0,1,0,0,0,0|3,0,0]=4 223 B18R2.6463 Cc1cccc(c1)C(=O)NCC2CCOCC2 527a_100000746373_100000189346 [0,1,0,0,0,0|3,0,0]=4 224 B18R2.6463 Cc1cccc(n1)C(=O)NN=C2CCOCC2 4a_100000724394_100011217826 [0,1,0,0,0,0|3,0,0]=4 225 B18R2.6463 Cc1cncc(n1)N(C)CCN2CCOCC2 27a_100000225678_100000754123 [0,1,0,0,0,0|3,0,0]=4 226 B18R2.6463 O=C(CCN1CCOCC1)c2cccc(c2)Br 1458a_100000210664_100000753993 [0,1,0,0,0,0|3,0,0]=4 227 B18R2.6463 O=C(CCN1CCOCC1)c2cccc(c2)Cl 1458a_100000210390_100000753993 [0,1,0,0,0,0|3,0,0]=4 228 B18R2.6463 O=C(CCN1CCOCC1)c2cccc(c2)F 1458a_100000210950_100000753993 [0,1,0,0,0,0|3,0,0]=4 229 B18R2.6463 O=C(CCN1CCOCC1)c2cccc(c2)I 1458a_100000184098_100000753993 [0,1,0,0,0,0|3,0,0]=4 230 B18R2.6463 O=C(CCN1CCOCC1)c2cccc(c2)O 1458a_100000183914_100000753993 [0,1,0,0,0,0|3,0,0]=4 231 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)Br 11a_100000746373_100000210664 [0,1,0,0,0,0|3,0,0]=4 232 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)Br 1626a_100000746373_100000210664 [0,1,0,0,0,0|3,0,0]=4 233 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)Br 240690a_100000746373_100000210664 [0,1,0,0,0,0|3,0,0]=4 234 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)Br 527a_100000746373_100000210664 [0,1,0,0,0,0|3,0,0]=4 235 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)Cl 11a_100000746373_100000210390 [0,1,0,0,0,0|3,0,0]=4 236 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)Cl 1626a_100000746373_100000210390 [0,1,0,0,0,0|3,0,0]=4 237 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)Cl 240690a_100000746373_100000210390 [0,1,0,0,0,0|3,0,0]=4 238 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)Cl 527a_100000746373_100000210390 [0,1,0,0,0,0|3,0,0]=4 239 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)F 11a_100000746373_100000210950 [0,1,0,0,0,0|3,0,0]=4 240 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)F 1626a_100000746373_100000210950 [0,1,0,0,0,0|3,0,0]=4 241 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)F 240690a_100000746373_100000210950 [0,1,0,0,0,0|3,0,0]=4 242 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)F 527a_100000746373_100000210950 [0,1,0,0,0,0|3,0,0]=4 243 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)I 11a_100000746373_100000184098 [0,1,0,0,0,0|3,0,0]=4 244 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)I 1626a_100000746373_100000184098 [0,1,0,0,0,0|3,0,0]=4 245 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)I 240690a_100000746373_100000184098 [0,1,0,0,0,0|3,0,0]=4 246 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)I 527a_100000746373_100000184098 [0,1,0,0,0,0|3,0,0]=4 247 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)O 240690a_100000746373_100000183914 [0,1,0,0,0,0|3,0,0]=4 248 B18R2.6463 O=C(NCC1CCOCC1)c2cccc(c2)O 527a_100000746373_100000183914 [0,1,0,0,0,0|3,0,0]=4 249 B18R2.6463 O=C(NN=C1CCOCC1)c2cc(ccn2)Br 4a_100010175343_100011217826 [0,1,0,0,0,0|3,0,0]=4 250 B18R2.6463 O=C(NN=C1CCOCC1)c2cc(ccn2)Cl 4a_100000017052_100011217826 [0,1,0,0,0,0|3,0,0]=4 251 B18R2.6463 O=C(NN=C1CCOCC1)c2cccc(n2)Cl 4a_100011631096_100011217826 [0,1,0,0,0,0|3,0,0]=4 252 B18R2.6463 O=C(NN=C1CCOCC1)c2cccc(n2)F 4a_100025773536_100011217826 [0,1,0,0,0,0|3,0,0]=4 253 B18R2.6463 O=C(NN=C1CCOCC1)c2cncc(c2)Br 4a_100000189809_100011217826 [0,1,0,0,0,0|3,0,0]=4 254 B18R2.6467 CC1CC(=NNC(=O)c2ccccn2)CCO1 4a_100000184044_100000755752 [0,1,0,0,0,0|3,0,0]=4 255 B18R2.6467 CC1CC(=NNC(=O)c2cccnc2)CCO1 4a_100000189771_100000755752 [0,1,0,0,0,0|3,0,0]=4 256 B18R2.6467 CC1CC(=NNC(=O)c2cnccn2)CCO1 4a_100000189795_100000755752 [0,1,0,0,0,0|2,0,0]=3 257 B18R2.6467 CC1CCCC(=NNC(=O)c2cnccn2)C1 4a_100000189795_100000183594 [0,1,0,0,0,0|3,0,0]=4 258 B18R2.6467 CC1CN(CCO1)CCC(=O)c2ccccc2 2230a_100000729577_100000750707 [0,1,0,0,0,0|3,0,0]=4 259 B18R2.6467 CC1CN(CCO1)CCC(=O)c2ccccc2 269982a_100000729577_100000750707 [0,1,0,0,0,0|3,0,0]=4 260 B18R2.6467 CC1CN(CCO1)COC(=O)c2ccccc2 269982a_100000729577_100000073877 [0,1,0,0,0,0|3,0,0]=4 261 B18R2.6467 O=C(CCN1CCOC(C1)O)c2ccccc2 2230a_100000688207_100000750707 [0,1,0,0,0,0|3,0,0]=4 262 B18R2.6467 O=C(CCN1CCOC(C1)O)c2ccccc2 269982a_100000688207_100000750707 [0,1,0,0,0,0|3,0,0]=4 263 B18R2.6467 O=C(NN=C1CCCC(C1)O)c2cnccn2 4a_100000189795_100012613340 [0,1,0,0,0,0|3,0,0]=4 264 B18R2.6467 O=C(OCN1CCOC(C1)O)c2ccccc2 269982a_100000688207_100000073877 [0,1,0,0,0,0|3,0,0]=4 265 B18R2.7204 CC(C(=O)CN1CCOCC1)c2cnccn2 1458a_100000740321_200000703233 [0,1,0,0,0,0|2,0,1]=4 266 B18R2.7204 CC(c1cnccn1)N(C)CC2CCOCC2 2230a_100025706683_200000703233 [0,1,0,0,0,0|2,0,1]=4 267 B18R2.7204 CC(c1cnccn1)N(C)CC2CCOCC2 269982a_100025706683_200000703233 [0,1,0,0,0,0|2,0,1]=4 268 B18R2.7204 CN(CC1CCOCC1)C(=O)c2ccccc2 11a_100025706683_100000185807 [0,1,0,0,0,0|3,0,0]=4 269 B18R2.7204 CN(CC1CCOCC1)C(=O)c2ccccc2 1626a_100025706683_100000185807 [0,1,0,0,0,0|3,0,0]=4 270 B18R2.7204 CN(CC1CCOCC1)C(=O)c2ccccc2 240690a_100025706683_100000185807 [0,1,0,0,0,0|3,0,0]=4 271 B18R2.7204 CN(CC1CCOCC1)C(=O)c2ccccc2 527a_100025706683_100000185807 [0,1,0,0,0,0|3,0,0]=4 272 B18R2.32237 O=S(=O)(NCC1CCOCC1)c2ccccn2 270084a_100000746373_100016994956 [0,1,0,0,0,0|3,0,0]=4 273 B18R2.32237 O=S(=O)(NCC1CCOCC1)c2ccccn2 274078a_100000746373_100016994956 [0,1,0,0,0,0|3,0,0]=4 274 B18R2.32237 O=S(=O)(NCC1CCOCC1)c2ccccn2 40a_100000746373_100000070048 [0,1,0,0,0,0|3,0,0]=4 275 B18R2.32237 O=S(=O)(NCC1CCOCC1)c2cccnc2 270084a_100000746373_100000736704 [0,1,0,0,0,0|3,0,0]=4 276 B18R2.32237 O=S(=O)(NCC1CCOCC1)c2cccnc2 274078a_100000746373_100000736704 [0,1,0,0,0,0|3,0,0]=4 277 B18R2.566542 CC(NCC1(CCOCC1)C)c2cnccn2 2230a_100000695556_200000703233 [0,1,0,0,0,0|2,0,1]=4 278 B18R2.566542 CC(NCC1(CCOCC1)C)c2cnccn2 269862a_100000695556_100000751083 [0,1,0,0,0,0|2,0,1]=4 279 B18R2.566542 CC(NCC1(CCOCC1)F)c2cnccn2 2230a_100016991512_200000703233 [0,1,0,0,0,0|2,0,1]=4 280 B18R2.566542 CC(NCC1(CCOCC1)F)c2cnccn2 269862a_100016991512_100000751083 [0,1,0,0,0,0|2,0,1]=4 281 B18R2.566542 CC(NCC1(CCOCC1)O)c2cnccn2 2230a_100000704115_200000703233 [0,1,0,0,0,0|2,0,1]=4 282 B18R2.566542 CC(NCC1(CCOCC1)O)c2cnccn2 269862a_100000704115_100000751083 [0,1,0,0,0,0|2,0,1]=4 283 B18R2.566542 CC1(CCOCC1)CNC(=O)c2ccccc2 11a_100000695556_100000185807 [0,1,0,0,0,0|3,0,0]=4 284 B18R2.566542 CC1(CCOCC1)CNC(=O)c2ccccc2 1626a_100000695556_100000185807 [0,1,0,0,0,0|3,0,0]=4 285 B18R2.566542 CC1(CCOCC1)CNC(=O)c2ccccc2 240690a_100000695556_100000185807 [0,1,0,0,0,0|3,0,0]=4 286 B18R2.566542 CC1(CCOCC1)CNC(=O)c2ccccc2 527a_100000695556_100000185807 [0,1,0,0,0,0|3,0,0]=4 287 B18R2.566542 C[C@@H](NCC1(CCOCC1)C)c2cnccn2 269862a_100020589798_100000701351 [0,1,0,0,0,0|2,0,1]=4 288 B18R2.566542 O=C(NCC1(CCOCC1)F)c2ccccc2 11a_100016991512_100000185807 [0,1,0,0,0,0|3,0,0]=4 289 B18R2.566542 O=C(NCC1(CCOCC1)F)c2ccccc2 1626a_100016991512_100000185807 [0,1,0,0,0,0|3,0,0]=4 290 B18R2.566542 O=C(NCC1(CCOCC1)F)c2ccccc2 240690a_100016991512_100000185807 [0,1,0,0,0,0|3,0,0]=4 291 B18R2.566542 O=C(NCC1(CCOCC1)F)c2ccccc2 527a_100016991512_100000185807 [0,1,0,0,0,0|3,0,0]=4 292 B18R2.566542 O=C(NCC1(CCOCC1)O)c2ccccc2 11a_100000704115_100000185807 [0,1,0,0,0,0|3,0,0]=4 293 B18R2.566542 O=C(NCC1(CCOCC1)O)c2ccccc2 240690a_100000704115_100000185807 [0,1,0,0,0,0|3,0,0]=4 294 B18R2.566542 O=C(NCC1(CCOCC1)O)c2ccccc2 527a_100000704115_100000185807 [0,1,0,0,0,0|3,0,0]=4 295 B16R1.64 CCCCCC=NNC(=O)c1cnccn1 4a_100000189795_100000737632 [0,0,1,0,0,0|3,0,0]=4 296 B16R1.64 CCOCCNCCC(=O)c1ccccc1 2230a_102516460346_100000750707 [0,0,1,0,0,0|3,0,0]=4 297 B16R1.700 CCCCC(=NNC(=O)c1cnccn1)C 4a_100000189795_100000210087 [0,0,1,0,0,0|3,0,0]=4 298 B16R1.700 COCCC(=NNC(=O)c1ccccn1)C 4a_100000184044_100000742357 [0,0,1,0,0,0|3,0,0]=4 299 B16R1.700 COCCC(=NNC(=O)c1cccnc1)C 4a_100000189771_100000742357 [0,0,1,0,0,0|3,0,0]=4 300 B16R1.700 COCCC(=NNC(=O)c1cnccn1)C 4a_100000189795_100000742357 [0,0,1,0,0,0|2,0,0]=3 301 B16R1.700 COCCC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100000233755 [0,0,1,0,0,0|3,0,0]=4 302 B16R1.700 COCCN(C)CCC(=O)c1ccccc1 2230a_100000743101_100000750707 [0,0,1,0,0,0|3,0,0]=4 303 B16R1.700 COCCN(C)CCC(=O)c1ccccc1 269982a_100000743101_100000750707 [0,0,1,0,0,0|3,0,0]=4 304 B16R1.700 COCCN(C)COC(=O)c1ccccc1 269982a_100000743101_100000073877 [0,0,1,0,0,0|3,0,0]=4 305 B16R1.700 CSCCC(=NNC(=O)c1cnccn1)C 4a_100000189795_100011217047 [0,0,1,0,0,0|2,1,0]=4 306 B16R1.1582 CCCC(=NNC(=O)c1cnccn1)CC 4a_100000189795_100000687865 [0,0,1,0,0,0|3,0,0]=4 307 B16R1.1582 CCN(CCO)CCC(=O)c1ccccc1 2230a_100000210973_100000750707 [0,0,1,0,0,0|3,0,0]=4 308 B16R1.1582 CCN(CCO)CCC(=O)c1ccccc1 269982a_100000210973_100000750707 [0,0,1,0,0,0|3,0,0]=4 309 B16R1.1582 CCN(CCO)COC(=O)c1ccccc1 269982a_100000210973_100000073877 [0,0,1,0,0,0|3,0,0]=4 310 B18R3.2109 c1cnc(cn1)N2CC(C2)N3CCOCC3 27a_100020589372_100000211759 [0,0,0,1,0,0|3,0,0]=4 311 B18R3.2123 c1cnc(cn1)N2CCN3CCOC[C@@H]3C2 27a_100016992982_100000211759 [0,0,0,1,0,0|3,0,0]=4 312 B18R3.11551 O=C1CC(c2c1cccc2)N3CCOCC3 2230a_100015191051_100010208147 [0,0,0,1,0,0|3,0,0]=4 313 B18R3.11551 O=C1CC(c2c1cccc2)N3CCOCC3 269982a_100015191051_100010208147 [0,0,0,1,0,0|3,0,0]=4 314 B18R3.11551 O=C1OC(c2c1cccc2)N3CCOCC3 2230a_100015191051_100009813457 [0,0,0,1,0,0|3,0,0]=4 315 B18R3.11551 O=C1OC(c2c1cccc2)N3CCOCC3 269982a_100015191051_100009813457 [0,0,0,1,0,0|3,0,0]=4 316 B18R3.119179 O=C(NN=C1CCC2C1C2)c3cnccn3 4a_100000189795_100000692480 [0,0,0,1,0,0|3,0,0]=4 317 B18R3.1020033 O=C(NN=C1CC2CC2C1)c3cnccn3 4a_100000189795_100010340937 [0,0,0,1,0,0|3,0,0]=4 318 B16R2.88 CC(NC1CCOCC1)c2cnccn2 2230a_100000741149_200000703233 [0,0,0,0,1,0|2,0,1]=4 319 B16R2.88 CC(NC1CCOCC1)c2cnccn2 269862a_100000741149_100000751083 [0,0,0,0,1,0|2,0,1]=4 320 B16R2.88 CN(CC1CCOCC1)c2cnccn2 27a_100025706683_100000211759 [0,0,0,0,1,0|3,0,0]=4 321 B16R2.88 C[C@@H](NC1CCOCC1)c2cnccn2 270004a_100020589798_100011217826 [0,0,0,0,1,0|2,0,1]=4 322 B16R2.88 O=C(CC1CCOCC1)c2ccccc2 1458a_100000185807_100000754603 [0,0,0,0,1,0|3,0,0]=4 323 B16R2.88 O=C(CN1CC=CCC1)c2ccccn2 269982a_100000698166_100000027445 [0,0,0,0,1,0|2,0,1]=4 324 B16R2.88 O=C(CN1CC=CCC1)c2ccccn2 34a_100000698166_100000027445 [0,0,0,0,1,0|2,0,1]=4 325 B16R2.88 O=C(CN1CC=CCC1)c2cccnc2 269982a_100000698166_100000757877 [0,0,0,0,1,0|2,0,1]=4 326 B16R2.88 O=C(CN1CCCOC1)c2ccccn2 269982a_100000131196_100000027445 [0,0,0,0,1,0|3,0,0]=4 327 B16R2.88 O=C(CN1CCCOC1)c2ccccn2 34a_100000131196_100000027445 [0,0,0,0,1,0|3,0,0]=4 328 B16R2.88 O=C(CN1CCCOC1)c2cccnc2 269982a_100000131196_100000757877 [0,0,0,0,1,0|3,0,0]=4 329 B16R2.88 O=C(CN1CCOCC1)c2ccccc2 269982a_100015191051_100000211460 [0,0,0,0,1,0|2,0,0]=3 330 B16R2.88 O=C(CN1CCOCC1)c2ccccn2 269982a_100015191051_100000027445 [0,0,0,0,1,0|1,0,0]=2 331 B16R2.88 O=C(CN1CCOCC1)c2ccccn2 34a_100015191051_100000027445 [0,0,0,0,1,0|1,0,0]=2 332 B16R2.88 O=C(CN1CCOCC1)c2cccnc2 269982a_100015191051_100000757877 [0,0,0,0,1,0|1,0,0]=2 333 B16R2.88 O=C(CN1CCOCC1)c2ccncc2 269982a_100015191051_100000027454 [0,0,0,0,1,0|3,0,0]=4 334 B16R2.88 O=C(CN1CCSCC1)c2ccccc2 269982a_100000737611_100000211460 [0,0,0,0,1,0|2,1,0]=4 335 B16R2.88 O=C(CN1CCSCC1)c2ccccn2 269982a_100000737611_100000027445 [0,0,0,0,1,0|1,1,0]=3 336 B16R2.88 O=C(CN1CCSCC1)c2cccnc2 269982a_100000737611_100000757877 [0,0,0,0,1,0|1,1,0]=3 337 B16R2.88 O=C(NC1CCOCC1)c2ccccc2 11a_100000741149_100000185807 [0,0,0,0,1,0|3,0,0]=4 338 B16R2.88 O=C(NC1CCOCC1)c2ccccc2 1626a_100000741149_100000185807 [0,0,0,0,1,0|3,0,0]=4 339 B16R2.88 O=C(NC1CCOCC1)c2ccccc2 240690a_100000741149_100000185807 [0,0,0,0,1,0|3,0,0]=4 340 B16R2.88 O=C(NC1CCOCC1)c2ccccc2 527a_100000741149_100000185807 [0,0,0,0,1,0|3,0,0]=4 341 B16R2.88 O=S(CN1CCOCC1)c2ccccc2 269982a_100015191051_100000031784 [0,0,0,0,1,0|3,0,0]=4 342 B16R2.2238 O=C(CCN1CCOCC1)c2cccs2 2230a_100015191051_100011290775 [0,0,0,0,1,0|2,0,0]=3 343 B16R2.2238 O=C(CCN1CCOCC1)c2cccs2 269982a_100015191051_100011290775 [0,0,0,0,1,0|2,0,0]=3 344 B16R2.2238 O=C(CCN1CCSCC1)c2cccs2 2230a_100000737611_100011290775 [0,0,0,0,1,0|2,1,0]=4 345 B16R2.2238 O=C(CCN1CCSCC1)c2cccs2 269982a_100000737611_100011290775 [0,0,0,0,1,0|2,1,0]=4 346 B16R2.2238 O=C(NN=C1CCOCC1)c2cc[nH]n2 4a_100011273208_100011217826 [0,0,0,0,1,0|3,0,0]=4 347 B16R2.2238 O=C(NN=C1CCOCC1)c2ccc[nH]2 4a_100000018271_100011217826 [0,0,0,0,1,0|2,0,1]=4 348 B16R2.2238 O=C(NN=C1CCOCC1)c2ccco2 4a_100000185077_100011217826 [0,0,0,0,1,0|3,0,0]=4 349 B16R2.2238 O=C(NN=C1CCOCC1)c2cccs2 4a_100000184746_100011217826 [0,0,0,0,1,0|3,0,0]=4 350 B16R2.2238 O=C(NN=C1CCOCC1)c2ccoc2 4a_100000233958_100011217826 [0,0,0,0,1,0|3,0,0]=4 351 B16R2.2238 O=C(NN=C1CCOCC1)c2ccsc2 4a_100000193922_100011217826 [0,0,0,0,1,0|3,0,0]=4 352 B16R2.2238 O=C(NN=C1CCOCC1)c2cn[nH]c2 4a_100011317056_100011217826 [0,0,0,0,1,0|3,0,0]=4 353 B16R2.2238 O=C(NN=C1CCOCC1)c2cnco2 4a_100000081316_100011217826 [0,0,0,0,1,0|3,0,0]=4 354 B16R2.2238 O=C(NN=C1CCOCC1)c2cncs2 4a_200000241815_100011217826 [0,0,0,0,1,0|3,0,0]=4 355 B16R2.2238 O=C(NN=C1CCOCC1)c2cocn2 4a_100000084333_100011217826 [0,0,0,0,1,0|3,0,0]=4 356 B16R2.2238 O=C(NN=C1CCOCC1)c2cscn2 4a_100011794543_100011217826 [0,0,0,0,1,0|3,0,0]=4 357 B16R2.2238 O=C(NN=C1CCOCC1)c2nccs2 4a_100000077877_100011217826 [0,0,0,0,1,0|3,0,0]=4 358 B16R2.5767 CC(NCC1CCCC1)c2cnccn2 2230a_100000737975_200000703233 [0,0,0,0,1,0|2,0,1]=4 359 B16R2.5767 CC(NCC1CCCC1)c2cnccn2 269862a_100000737975_100000751083 [0,0,0,0,1,0|2,0,1]=4 360 B16R2.5767 CC(NCC1CCOC1)c2cnccn2 2230a_100000737293_200000703233 [0,0,0,0,1,0|2,0,1]=4 361 B16R2.5767 CC(NCC1CCOC1)c2cnccn2 269862a_100000737293_100000751083 [0,0,0,0,1,0|2,0,1]=4 362 B16R2.5767 CN(CCN1CCCC1)c2cnccn2 27a_100000225677_100000211759 [0,0,0,0,1,0|3,0,0]=4 363 B16R2.5767 C[C@@H](NCC1CCCC1)c2cnccn2 2230a_100020589798_100000740388 [0,0,0,0,1,0|2,0,1]=4 364 B16R2.5767 C[C@@H](NCC1CCCC1)c2cnccn2 269862a_100020589798_100000746403 [0,0,0,0,1,0|2,0,1]=4 365 B16R2.5767 C[C@@H](NCC1CCOC1)c2cnccn2 2230a_100020589798_100000702531 [0,0,0,0,1,0|2,0,1]=4 366 B16R2.5767 O=C(CCN1CCCC1)c2ccccc2 1458a_100000185807_100000004467 [0,0,0,0,1,0|3,0,0]=4 367 B16R2.5767 O=C(CCN1CCCC1)c2ccccc2 2230a_100000188435_100000750707 [0,0,0,0,1,0|3,0,0]=4 368 B16R2.5767 O=C(CCN1CCCC1)c2ccccc2 269982a_100000188435_100000750707 [0,0,0,0,1,0|3,0,0]=4 369 B16R2.5767 O=C(NCC1CCCC1)c2ccccc2 11a_100000737975_100000185807 [0,0,0,0,1,0|3,0,0]=4 370 B16R2.5767 O=C(NCC1CCCC1)c2ccccc2 1626a_100000737975_100000185807 [0,0,0,0,1,0|3,0,0]=4 371 B16R2.5767 O=C(NCC1CCCC1)c2ccccc2 240690a_100000737975_100000185807 [0,0,0,0,1,0|3,0,0]=4 372 B16R2.5767 O=C(NCC1CCCC1)c2ccccc2 527a_100000737975_100000185807 [0,0,0,0,1,0|3,0,0]=4 373 B16R2.5767 O=C(NCC1CCOC1)c2ccccc2 11a_100000737293_100000185807 [0,0,0,0,1,0|3,0,0]=4 374 B16R2.5767 O=C(NCC1CCOC1)c2ccccc2 1626a_100000737293_100000185807 [0,0,0,0,1,0|3,0,0]=4 375 B16R2.5767 O=C(NCC1CCOC1)c2ccccc2 240690a_100000737293_100000185807 [0,0,0,0,1,0|3,0,0]=4 376 B16R2.5767 O=C(NCC1CCOC1)c2ccccc2 527a_100000737293_100000185807 [0,0,0,0,1,0|3,0,0]=4 377 B16R2.5767 O=C(NN=C1CCCC1)c2ccccn2 4a_100000184044_100000210133 [0,0,0,0,1,0|3,0,0]=4 378 B16R2.5767 O=C(NN=C1CCCC1)c2cccnc2 4a_100000189771_100000210133 [0,0,0,0,1,0|3,0,0]=4 379 B16R2.5767 O=C(NN=C1CCCC1)c2cnccn2 4a_100000189795_100000210133 [0,0,0,0,1,0|2,0,0]=3 380 B16R2.5767 O=C(NN=C1CCOC1)c2ccccn2 4a_100000184044_100000752484 [0,0,0,0,1,0|3,0,0]=4 381 B16R2.5767 O=C(NN=C1CCOC1)c2cccnc2 4a_100000189771_100000752484 [0,0,0,0,1,0|3,0,0]=4 382 B16R2.5767 O=C(NN=C1CCOC1)c2cnccn2 4a_100000189795_100000752484 [0,0,0,0,1,0|2,0,0]=3 383 B16R2.5767 O=C(NN=C1CCSC1)c2cnccn2 4a_100000189795_100000212027 [0,0,0,0,1,0|2,1,0]=4 384 B16R2.5767 O=C(OCN1CCCC1)c2ccccc2 269982a_100000188435_100000073877 [0,0,0,0,1,0|3,0,0]=4 385 B18R2.2429 CC(CCN1CCOCC1)Nc2cnccn2 27a_100000705125_100000211759 [0,0,0,0,0,1|2,0,1]=4 386 B18R2.2429 CC(Cc1cnccn1)NCC2CCOCC2 2230a_100011277835_100000754603 [0,0,0,0,0,1|2,0,1]=4 387 B18R2.2429 CC(Cc1cnccn1)NCC2CCOCC2 269862a_100011277835_100000749017 [0,0,0,0,0,1|2,0,1]=4 388 B18R2.2429 CC(Cc1cnccn1)NCC2CCOCC2 270004a_100000746373_100015184882 [0,0,0,0,0,1|2,0,1]=4 389 B18R2.2429 CN(CCN1CCOCC1)Cc2cnccn2 2230a_100000225678_100016995436 [0,0,0,0,0,1|3,0,0]=4 390 B18R2.2429 CN(CCN1CCOCC1)Cc2cnccn2 2230a_100011269079_100025781966 [0,0,0,0,0,1|3,0,0]=4 391 B18R2.2429 CN(CCN1CCOCC1)Cc2cnccn2 269982a_100000225678_100016995436 [0,0,0,0,0,1|3,0,0]=4 392 B18R2.2429 CN(CCN1CCOCC1)Cc2cnccn2 269982a_100011269079_100000753993 [0,0,0,0,0,1|3,0,0]=4 393 B18R2.2429 CN(CCN1CCOCC1)Cc2cnccn2 270004a_100000225678_100000749867 [0,0,0,0,0,1|3,0,0]=4 394 B18R2.2429 O=C(CCC1CCCCC1)Cc2cnccn2 1458a_100000211375_100016995436 [0,0,0,0,0,1|3,0,0]=4 395 B18R2.2429 O=C(CCC1CCOCC1)Cc2ccccn2 1458a_100000233486_100011934994 [0,0,0,0,0,1|3,0,0]=4 396 B18R2.2429 O=C(CCC1CCOCC1)Cc2cccnc2 1458a_100000737805_100011934994 [0,0,0,0,0,1|3,0,0]=4 397 B18R2.2429 O=C(CCN1CCCCC1)Cc2ccccn2 1458a_100000233486_100000739454 [0,0,0,0,0,1|3,0,0]=4 398 B18R2.2429 O=C(CCN1CCCCC1)Cc2ccccn2 1458a_100000743487_100000721315 [0,0,0,0,0,1|3,0,0]=4 399 B18R2.2429 O=C(CCN1CCCCC1)Cc2cccnc2 1458a_100000737805_100000739454 [0,0,0,0,0,1|3,0,0]=4 400 B18R2.2429 O=C(CCN1CCCCC1)Cc2cccnc2 1458a_100000743487_100000733263 [0,0,0,0,0,1|3,0,0]=4 401 B18R2.2429 O=C(CCN1CCCCC1)Cc2cnccn2 1458a_100000743487_100016995436 [0,0,0,0,0,1|2,0,0]=3 402 B18R2.2429 O=C(CCN1CCCCO1)Cc2cnccn2 1458a_200015184090_100016995436 [0,0,0,0,0,1|3,0,0]=4 403 B18R2.2429 O=C(CCN1CCOCC1)Cc2ccccc2 1458a_100000749337_100015291786 [0,0,0,0,0,1|3,0,0]=4 404 B18R2.2429 O=C(CCN1CCOCC1)Cc2ccccn2 1458a_100000233486_100000753993 [0,0,0,0,0,1|2,0,0]=3 405 B18R2.2429 O=C(CCN1CCOCC1)Cc2ccccn2 1458a_100000749337_100000721315 [0,0,0,0,0,1|2,0,0]=3 406 B18R2.2429 O=C(CCN1CCOCC1)Cc2cccnc2 1458a_100000737805_100000753993 [0,0,0,0,0,1|2,0,0]=3 407 B18R2.2429 O=C(CCN1CCOCC1)Cc2cccnc2 1458a_100000749337_100000733263 [0,0,0,0,0,1|2,0,0]=3 408 B18R2.2429 O=C(CCN1CCOCC1)Cc2cccnn2 1458a_100000749337_100016990269 [0,0,0,0,0,1|3,0,0]=4 409 B18R2.2429 O=C(CCN1CCOCC1)Cc2cnccn2 1458a_100000749337_100016995436 [0,0,0,0,0,1|1,0,0]=2 410 B18R2.2429 O=C(CCN1CCOCC1)Cc2cncnc2 1458a_100000721575_100000753993 [0,0,0,0,0,1|3,0,0]=4 411 B18R2.2429 O=C(CCN1CCOCC1)Cc2cncnc2 1458a_100000749337_100015196519 [0,0,0,0,0,1|3,0,0]=4 412 B18R2.2429 O=C(CCN1CCOCC1)Cc2ncccn2 1458a_100000749337_100000703007 [0,0,0,0,0,1|3,0,0]=4 413 B18R2.2429 O=C(CCN1CCOCC1)Nc2ccccc2 2230a_100015191051_100000242058 [0,0,0,0,0,1|3,0,0]=4 414 B18R2.2429 O=C(CCN1CCOCC1)Nc2ccccc2 22a_100000106764_100000749337 [0,0,0,0,0,1|3,0,0]=4 415 B18R2.2429 O=C(CCN1CCOCC1)Nc2ccccc2 269982a_100015191051_100000242058 [0,0,0,0,0,1|3,0,0]=4 416 B18R2.2429 O=C(CCN1CCOCC1)Nc2ccccc2 34a_100015191051_100000242058 [0,0,0,0,0,1|3,0,0]=4 417 B18R2.2429 O=C(CCN1CCOCC1)Nc2ccccc2 527a_100000106764_100000749337 [0,0,0,0,0,1|3,0,0]=4 418 B18R2.2429 O=C(CCN1CCOCC1)Nc2cccnc2 2230a_100015191051_200015187043 [0,0,0,0,0,1|2,0,0]=3 419 B18R2.2429 O=C(CCN1CCOCC1)Nc2cccnc2 269982a_100015191051_200015187043 [0,0,0,0,0,1|2,0,0]=3 420 B18R2.2429 O=C(CCN1CCOCC1)Oc2ccccc2 2230a_100015191051_200000035796 [0,0,0,0,0,1|3,0,0]=4 421 B18R2.2429 O=C(CCN1CCOCC1)Oc2ccccc2 269982a_100015191051_200000035796 [0,0,0,0,0,1|3,0,0]=4 422 B18R2.2429 O=C(CCN1CCSCC1)Nc2cccnc2 2230a_100000737611_200015187043 [0,0,0,0,0,1|2,1,0]=4 423 B18R2.2429 O=C(CCN1CCSCC1)Nc2cccnc2 269982a_100000737611_200015187043 [0,0,0,0,0,1|2,1,0]=4 424 B18R2.2429 O=C(Cc1ccccn1)NCC2CCCCC2 11a_100000210473_100000233486 [0,0,0,0,0,1|3,0,0]=4 425 B18R2.2429 O=C(Cc1ccccn1)NCC2CCOCC2 11a_100000746373_100000233486 [0,0,0,0,0,1|2,0,0]=3 426 B18R2.2429 O=C(Cc1ccccn1)NCC2CCSCC2 11a_100015188806_100000233486 [0,0,0,0,0,1|2,1,0]=4 427 B18R2.2429 O=C(Cc1ccccn1)NN=C2CCOCC2 4a_200000059813_100011217826 [0,0,0,0,0,1|3,0,0]=4 428 B18R2.2429 O=C(Cc1ccccn1)NNC2CCOCC2 22a_100000687383_100000233486 [0,0,0,0,0,1|3,0,0]=4 429 B18R2.2429 O=C(Cc1cccnc1)NCC2CCCCC2 11a_100000210473_100000737805 [0,0,0,0,0,1|3,0,0]=4 430 B18R2.2429 O=C(Cc1cccnc1)NCC2CCCCC2 240690a_100000210473_100000737805 [0,0,0,0,0,1|3,0,0]=4 431 B18R2.2429 O=C(Cc1cccnc1)NCC2CCCCC2 527a_100000210473_100000737805 [0,0,0,0,0,1|3,0,0]=4 432 B18R2.2429 O=C(Cc1cccnc1)NCC2CCOCC2 11a_100000746373_100000737805 [0,0,0,0,0,1|2,0,0]=3 433 B18R2.2429 O=C(Cc1cccnc1)NCC2CCOCC2 240690a_100000746373_100000737805 [0,0,0,0,0,1|2,0,0]=3 434 B18R2.2429 O=C(Cc1cccnc1)NCC2CCOCC2 527a_100000746373_100000737805 [0,0,0,0,0,1|2,0,0]=3 435 B18R2.2429 O=C(Cc1cccnc1)NCC2CCSCC2 11a_100015188806_100000737805 [0,0,0,0,0,1|2,1,0]=4 436 B18R2.2429 O=C(Cc1cccnc1)NCC2CCSCC2 240690a_100015188806_100000737805 [0,0,0,0,0,1|2,1,0]=4 437 B18R2.2429 O=C(Cc1cccnc1)NCC2CCSCC2 527a_100015188806_100000737805 [0,0,0,0,0,1|2,1,0]=4 438 B18R2.2429 O=C(Cc1cccnc1)NNC2CCOCC2 22a_100000687383_100000737805 [0,0,0,0,0,1|3,0,0]=4 439 B18R2.2429 O=C(Cc1cnccn1)NCC2CCCCC2 11a_100000210473_100000726051 [0,0,0,0,0,1|2,0,0]=3 440 B18R2.2429 O=C(Cc1cnccn1)NCC2CCCCC2 240690a_100000210473_100000726051 [0,0,0,0,0,1|2,0,0]=3 441 B18R2.2429 O=C(Cc1cnccn1)NCC2CCCCC2 527a_100000210473_100000726051 [0,0,0,0,0,1|2,0,0]=3 442 B18R2.2429 O=C(Cc1cnccn1)NCC2CCCCO2 11a_100000174945_100000726051 [0,0,0,0,0,1|3,0,0]=4 443 B18R2.2429 O=C(Cc1cnccn1)NCC2CCCCO2 240690a_100000174945_100000726051 [0,0,0,0,0,1|3,0,0]=4 444 B18R2.2429 O=C(Cc1cnccn1)NCC2CCCCO2 527a_100000174945_100000726051 [0,0,0,0,0,1|3,0,0]=4 445 B18R2.2429 O=C(Cc1cnccn1)NCC2CCCOC2 11a_100000720124_100000726051 [0,0,0,0,0,1|3,0,0]=4 446 B18R2.2429 O=C(Cc1cnccn1)NCC2CCCOC2 240690a_100000720124_100000726051 [0,0,0,0,0,1|3,0,0]=4 447 B18R2.2429 O=C(Cc1cnccn1)NCC2CCCOC2 527a_100000720124_100000726051 [0,0,0,0,0,1|3,0,0]=4 448 B18R2.2429 O=C(Cc1cnccn1)NCC2CCOCC2 11a_100000746373_100000726051 [0,0,0,0,0,1|1,0,0]=2 449 B18R2.2429 O=C(Cc1cnccn1)NCC2CCOCC2 240690a_100000746373_100000726051 [0,0,0,0,0,1|1,0,0]=2 450 B18R2.2429 O=C(Cc1cnccn1)NCC2CCOCC2 527a_100000746373_100000726051 [0,0,0,0,0,1|1,0,0]=2 451 B18R2.2429 O=C(Cc1cnccn1)NCC2CCSCC2 11a_100015188806_100000726051 [0,0,0,0,0,1|1,1,0]=3 452 B18R2.2429 O=C(Cc1cnccn1)NCC2CCSCC2 240690a_100015188806_100000726051 [0,0,0,0,0,1|1,1,0]=3 453 B18R2.2429 O=C(Cc1cnccn1)NCC2CCSCC2 527a_100015188806_100000726051 [0,0,0,0,0,1|1,1,0]=3 454 B18R2.2429 O=C(Cc1cnccn1)NNC2CCCCC2 22a_100000709804_100000726051 [0,0,0,0,0,1|3,0,0]=4 455 B18R2.2429 O=C(Cc1cnccn1)NNC2CCOCC2 22a_100000687383_100000726051 [0,0,0,0,0,1|2,0,0]=3 456 B18R2.2429 O=C(Cc1cncnc1)NCC2CCOCC2 11a_100000746373_100000721575 [0,0,0,0,0,1|3,0,0]=4 457 B18R2.2429 O=C(Cc1cncnc1)NCC2CCOCC2 240690a_100000746373_100000721575 [0,0,0,0,0,1|3,0,0]=4 458 B18R2.2429 O=C(Cc1cncnc1)NCC2CCOCC2 527a_100000746373_100000721575 [0,0,0,0,0,1|3,0,0]=4 459 B18R2.2429 O=C(NCC1CCOCC1)Nc2ccccc2 2430a_100000106764_100000746373 [0,0,0,0,0,1|3,0,0]=4 460 B18R2.7189 CC(=NNCC1CCCCC1)c2cnccn2 4a_100000740227_100000751083 [0,0,0,0,0,1|3,0,0]=4 461 B18R2.7189 CC(=NNCC1CCOCC1)c2ccccn2 4a_200000757053_100000210467 [0,0,0,0,0,1|3,0,0]=4 462 B18R2.7189 CC(=NNCC1CCOCC1)c2cccnc2 4a_200000757053_100000210468 [0,0,0,0,0,1|3,0,0]=4 463 B18R2.7189 CC(=NNCC1CCOCC1)c2cnccn2 4a_200000757053_100000751083 [0,0,0,0,0,1|2,0,0]=3 464 B18R2.7189 CC(NCCC1CCOCC1)c2cnccn2 2230a_100000755988_200000703233 [0,0,0,0,0,1|2,0,1]=4 465 B18R2.7189 CC(NCCC1CCOCC1)c2cnccn2 269862a_100000755988_100000751083 [0,0,0,0,0,1|2,0,1]=4 466 B18R2.7189 CC(NCCN1CCCCC1)c2cnccn2 269862a_100000216509_100000751083 [0,0,0,0,0,1|2,0,1]=4 467 B18R2.7189 CC(NCCN1CCOCC1)c2ccccn2 2230a_100000181244_100025781966 [0,0,0,0,0,1|2,0,1]=4 468 B18R2.7189 CC(NCCN1CCOCC1)c2ccccn2 269862a_100000211067_100000210467 [0,0,0,0,0,1|2,0,1]=4 469 B18R2.7189 CC(NCCN1CCOCC1)c2cccnc2 2230a_100000195435_100025781966 [0,0,0,0,0,1|2,0,1]=4 470 B18R2.7189 CC(NCCN1CCOCC1)c2cccnc2 269862a_100000211067_100000210468 [0,0,0,0,0,1|2,0,1]=4 471 B18R2.7189 CC(NCCN1CCOCC1)c2cnccn2 269862a_100000211067_100000751083 [0,0,0,0,0,1|1,0,1]=3 472 B18R2.7189 CC(NCCN1CCSCC1)c2cnccn2 2230a_100000755026_200000703233 [0,0,0,0,0,1|1,1,1]=4 473 B18R2.7189 CC(NCCN1CCSCC1)c2cnccn2 269862a_100000755026_100000751083 [0,0,0,0,0,1|1,1,1]=4 474 B18R2.7189 CC(SCCN1CCOCC1)c2cnccn2 62a_200000703233_100000211760 [0,0,0,0,0,1|2,0,1]=4 475 B18R2.7189 CN(CCCN1CCOCC1)c2cnccn2 27a_100000224819_100000211759 [0,0,0,0,0,1|3,0,0]=4 476 B18R2.7189 C[C@@H](NCCC1CCOCC1)c2cnccn2 2230a_100020589798_100011934994 [0,0,0,0,0,1|2,0,1]=4 477 B18R2.7189 C[C@@H](NCCN1CCCCC1)c2cnccn2 2230a_100020589798_100000739454 [0,0,0,0,0,1|2,0,1]=4 478 B18R2.7189 C[C@@H](NCCN1CCOCC1)c2cnccn2 2230a_100020589798_100025781966 [0,0,0,0,0,1|1,0,1]=3 479 B18R2.7189 O=C(CCCN1CCOCC1)c2ccccc2 1458a_100000185807_100000748698 [0,0,0,0,0,1|3,0,0]=4 480 B18R2.7189 O=C(CCCN1CCOCC1)c2ccccc2 2230a_100015191051_100000211006 [0,0,0,0,0,1|3,0,0]=4 481 B18R2.7189 O=C(CCCN1CCOCC1)c2ccccc2 269982a_100015191051_100000211006 [0,0,0,0,0,1|3,0,0]=4 482 B18R2.7189 O=C(CNCC1CCCCC1)c2ccccn2 34a_100000210473_100000027445 [0,0,0,0,0,1|3,0,0]=4 483 B18R2.7189 O=C(CNCC1CCOCC1)c2ccccn2 34a_100000746373_100000027445 [0,0,0,0,0,1|2,0,0]=3 484 B18R2.7189 O=C(CNCC1CCSCC1)c2ccccn2 34a_100015188806_100000027445 [0,0,0,0,0,1|2,1,0]=4 485 B18R2.7189 O=C(COCC1CCOCC1)c2ccccn2 34a_100000749013_100000027445 [0,0,0,0,0,1|3,0,0]=4 486 B18R2.7189 O=C(CSCC1CCOCC1)c2ccccn2 62a_100000027445_100000749018 [0,0,0,0,0,1|3,0,0]=4 487 B18R2.7189 O=C(CSCC1CCOCC1)c2ccccn2 62a_100000754603_100000027445 [0,0,0,0,0,1|3,0,0]=4 488 B18R2.7189 O=C(CSCC1CCOCC1)c2cccnc2 62a_100000754603_100000757877 [0,0,0,0,0,1|3,0,0]=4 489 B18R2.7189 O=C(CSCC1CCOCC1)c2cccnc2 62a_100000757877_100000749018 [0,0,0,0,0,1|3,0,0]=4 490 B18R2.7189 O=C(NCCC1CCOCC1)c2ccccc2 11a_100000755988_100000185807 [0,0,0,0,0,1|3,0,0]=4 491 B18R2.7189 O=C(NCCC1CCOCC1)c2ccccc2 1626a_100000755988_100000185807 [0,0,0,0,0,1|3,0,0]=4 492 B18R2.7189 O=C(NCCC1CCOCC1)c2ccccc2 240690a_100000755988_100000185807 [0,0,0,0,0,1|3,0,0]=4 493 B18R2.7189 O=C(NCCC1CCOCC1)c2ccccc2 527a_100000755988_100000185807 [0,0,0,0,0,1|3,0,0]=4 494 B18R2.7189 O=C(NCCN1CCCCC1)c2ccccc2 240690a_100000216509_100000185807 [0,0,0,0,0,1|3,0,0]=4 495 B18R2.7189 O=C(NCCN1CCCCC1)c2ccccc2 527a_100000216509_100000185807 [0,0,0,0,0,1|3,0,0]=4 496 B18R2.7189 O=C(NCCN1CCOCC1)c2ccccc2 11a_100000211067_100000185807 [0,0,0,0,0,1|2,0,0]=3 497 B18R2.7189 O=C(NCCN1CCOCC1)c2ccccc2 240690a_100000211067_100000185807 [0,0,0,0,0,1|2,0,0]=3 498 B18R2.7189 O=C(NCCN1CCOCC1)c2ccccc2 269982a_100015191051_200011215302 [0,0,0,0,0,1|2,0,0]=3 499 B18R2.7189 O=C(NCCN1CCOCC1)c2ccccc2 527a_100000211067_100000185807 [0,0,0,0,0,1|2,0,0]=3 500 B18R2.7189 O=C(NCCN1CCSCC1)c2ccccc2 240690a_100000755026_100000185807 [0,0,0,0,0,1|2,1,0]=4 501 B18R2.7189 O=C(NCCN1CCSCC1)c2ccccc2 269982a_100000737611_200011215302 [0,0,0,0,0,1|2,1,0]=4 502 B18R2.7189 O=C(NCCN1CCSCC1)c2ccccc2 527a_100000755026_100000185807 [0,0,0,0,0,1|2,1,0]=4 503 B18R2.7189 O=C(NN=CC1CCCCC1)c2cnccn2 4a_100000189795_100000211278 [0,0,0,0,0,1|2,0,1]=4 504 B18R2.7189 O=C(NN=CC1CCOCC1)c2ccccn2 4a_100000184044_100000749017 [0,0,0,0,0,1|2,0,1]=4 505 B18R2.7189 O=C(NN=CC1CCOCC1)c2cccnc2 4a_100000189771_100000749017 [0,0,0,0,0,1|2,0,1]=4 506 B18R2.7189 O=C(NN=CC1CCOCC1)c2cnccn2 4a_100000189795_100000749017 [0,0,0,0,0,1|1,0,1]=3 507 B18R2.7189 O=C(NN=CC1CCSCC1)c2cnccn2 4a_100000189795_100000067145 [0,0,0,0,0,1|1,1,1]=4 508 B18R2.7189 O=C(NNCC1CCOCC1)c2ccccc2 22a_200000757053_100000185807 [0,0,0,0,0,1|3,0,0]=4 509 B18R2.7189 O=C(OCCN1CCOCC1)c2ccccc2 269982a_100015191051_100009812718 [0,0,0,0,0,1|3,0,0]=4 510 B18R2.7189 O=C(OCCN1CCOCC1)c2ccccc2 34a_100015191051_100009812718 [0,0,0,0,0,1|3,0,0]=4 511 B18R2.72819 O=C(CCN1CCCOCC1)c2ccccc2 2230a_100000685342_100000750707 [0,0,0,0,0,1|3,0,0]=4 512 B18R2.72819 O=C(CCN1CCCOCC1)c2ccccc2 269982a_100000685342_100000750707 [0,0,0,0,0,1|3,0,0]=4 513 B18R2.72819 O=C(NN=C1CCCCCC1)c2cnccn2 4a_100000189795_100000210131 [0,0,0,0,0,1|3,0,0]=4 514 B18R2.72819 O=C(OCN1CCCOCC1)c2ccccc2 269982a_100000685342_100000073877 [0,0,0,0,0,1|3,0,0]=4 515 B15R1.138 CCCCC=NNC(=O)c1cnccn1 4a_100000189795_100000210104 [1,0,1,0,0,0|2,0,0]=4 516 B15R1.138 CCOCCCNC(=O)c1ccccc1 11a_100000210961_100000185807 [1,0,1,0,0,0|2,0,0]=4 517 B15R1.138 CCOCCCNC(=O)c1ccccc1 1626a_100000210961_100000185807 [1,0,1,0,0,0|2,0,0]=4 518 B15R1.138 CCOCCCNC(=O)c1ccccc1 240690a_100000210961_100000185807 [1,0,1,0,0,0|2,0,0]=4 519 B15R1.138 CCOCCCNC(=O)c1ccccc1 527a_100000210961_100000185807 [1,0,1,0,0,0|2,0,0]=4 520 B15R1.138 CCOCCCNC(C)c1cnccn1 2230a_100000210961_200000703233 [1,0,1,0,0,0|1,0,1]=4 521 B15R1.138 CCOCCCNC(C)c1cnccn1 269862a_100000210961_100000751083 [1,0,1,0,0,0|1,0,1]=4 522 B15R1.138 CCOCCCN[C@H](C)c1cnccn1 2230a_100020589798_100012232248 [1,0,1,0,0,0|1,0,1]=4 523 B15R1.138 CCOCCNCC(=O)c1ccccn1 34a_102516460346_100000027445 [1,0,1,0,0,0|1,0,0]=3 524 B15R1.138 CCOCCNN=C(C)c1cnccn1 4a_100000732670_100000751083 [1,0,1,0,0,0|1,0,1]=4 525 B15R1.138 CCOCCNNC(=O)c1ccccc1 22a_100000732670_100000185807 [1,0,1,0,0,0|2,0,0]=4 526 B15R1.138 CCOCCOCC(=O)c1ccccn1 34a_100000210136_100000027445 [1,0,1,0,0,0|2,0,0]=4 527 B15R1.138 CCOCCOCC(=O)c1ccccn1 7a_100000210136_100000027445 [1,0,1,0,0,0|2,0,0]=4 528 B15R1.138 CCOCCSCC(=O)c1ccccn1 62a_100000027445_100011215890 [1,0,1,0,0,0|2,0,0]=4 529 B15R1.138 CCOCCSCC(=O)c1ccccn1 62a_100000210147_100000027445 [1,0,1,0,0,0|2,0,0]=4 530 B15R1.138 CCOCCSCC(=O)c1cccnc1 62a_100000210147_100000757877 [1,0,1,0,0,0|2,0,0]=4 531 B15R1.138 CCOCCSCC(=O)c1cccnc1 62a_100000757877_100011215890 [1,0,1,0,0,0|2,0,0]=4 532 B15R1.78 C/C=C/C=CC(=O)CCN1CCOCC1 1458a_100000185730_100000753993 [1,0,1,0,0,0|2,0,0]=4 533 B15R1.78 C/C=C/C=CC(=O)NCC1CCOCC1 11a_100000746373_100000185730 [1,0,1,0,0,0|2,0,0]=4 534 B15R1.78 C/C=C/C=CC(=O)NCC1CCOCC1 1626a_100000746373_100000185730 [1,0,1,0,0,0|2,0,0]=4 535 B15R1.78 C/C=C/C=CC(=O)NCC1CCOCC1 240690a_100000746373_100000185730 [1,0,1,0,0,0|2,0,0]=4 536 B15R1.89 CCCC(=NNC(=O)c1cnccn1)C 4a_100000189795_100000211909 [1,0,1,0,0,0|2,0,0]=4 537 B15R1.89 COCC(=NNC(=O)c1cnccn1)C 4a_100000189795_100000749346 [1,0,1,0,0,0|2,0,0]=4 538 B15R1.652 CCC(=NNC(=O)c1cnccn1)CC 4a_100000189795_100000210860 [1,0,1,0,0,0|2,0,0]=4 539 B15R1.652 CCC(=NNC(=O)c1cnccn1)CO 4a_100000189795_100000725409 [1,0,1,0,0,0|2,0,0]=4 540 B17R1.754 CCOCCNCCNC(=O)c1ccccc1 2230a_100000736134_100011215890 [0,1,1,0,0,0|2,0,0]=4 541 B17R1.1299 CCOCCC(=NNC(=O)c1cnccn1)C 4a_100000189795_200011216536 [0,1,1,0,0,0|2,0,0]=4 542 B17R1.1299 CCOCCC(=O)CNC(=O)c1cccnc1 1458a_100000688122_100011215890 [0,1,1,0,0,0|2,0,0]=4 543 B17R1.748 COCCC(=NNC(=O)c1cnc(cn1)C)C 4a_100000189800_100000742357 [0,1,1,0,0,0|2,0,0]=4 544 B17R1.748 COCCC(=NNC(=O)c1cnc(cn1)Cl)C 4a_200012021860_100000742357 [0,1,1,0,0,0|2,0,0]=4 545 B17R1.18156 COCCC(=NNC(=O)c1nccnc1C)C 4a_100011104864_100000742357 [0,1,1,0,0,0|2,0,0]=4 546 B17R2.143 CC(CN1CCOCC1)Nc2cnccn2 27a_100000739823_100000211759 [1,1,0,0,0,0|2,0,0]=4 547 B17R2.143 CN(Cc1cnccn1)CC2CCOCC2 2230a_100011269079_100000754603 [1,1,0,0,0,0|1,0,1]=4 548 B17R2.143 CN(Cc1cnccn1)CC2CCOCC2 2230a_100025706683_100016995436 [1,1,0,0,0,0|1,0,1]=4 549 B17R2.143 CN(Cc1cnccn1)CC2CCOCC2 269982a_100011269079_100000754603 [1,1,0,0,0,0|1,0,1]=4 550 B17R2.143 CN(Cc1cnccn1)CC2CCOCC2 269982a_100025706683_100016995436 [1,1,0,0,0,0|1,0,1]=4 551 B17R2.143 CN(Cc1cnccn1)CC2CCOCC2 270004a_100025706683_100000749867 [1,1,0,0,0,0|1,0,1]=4 552 B17R2.143 CN(Cc1cnccn1)CC2CCOCC2 34a_100025706683_100016995436 [1,1,0,0,0,0|1,0,1]=4 553 B17R2.143 O=C(Cc1cnccn1)CN2CCOCC2 1458a_100000740321_100016995436 [1,1,0,0,0,0|1,0,1]=4 554 B17R2.216 Brc1cnc(cn1)NCCN2CCOCC2 27a_100000211067_100010187541 [1,1,0,0,0,0|2,0,0]=4 555 B17R2.216 Brc1cnc(cn1)SCCN2CCOCC2 62a_100010187541_100000211760 [1,1,0,0,0,0|2,0,0]=4 556 B17R2.216 Cc1cnc(cn1)CNCC2CCOCC2 2230a_100000746373_100000752025 [1,1,0,0,0,0|1,0,1]=4 557 B17R2.216 Cc1cnc(cn1)CNCC2CCOCC2 270004a_100000746373_100000685221 [1,1,0,0,0,0|1,0,1]=4 558 B17R2.216 Cc1cnc(cn1)CNCC2CCOCC2 34a_100132314150_100000754603 [1,1,0,0,0,0|1,0,1]=4 559 B17R2.216 Cc1cnc(cn1)NCCN2CCOCC2 27a_100000211067_100000074397 [1,1,0,0,0,0|2,0,0]=4 560 B17R2.216 Cc1cnc(cn1)SCCN2CCOCC2 62a_100011999403_100000211760 [1,1,0,0,0,0|2,0,0]=4 561 B17R2.216 Clc1cnc(cn1)CNCC2CCOCC2 270004a_100000746373_100012001714 [1,1,0,0,0,0|1,0,1]=4 562 B17R2.216 Clc1cnc(cn1)SCCN2CCOCC2 62a_100010214907_100000211760 [1,1,0,0,0,0|2,0,0]=4 563 B17R2.216 Fc1cnc(cn1)NCCN2CCOCC2 27a_100000211067_100009856528 [1,1,0,0,0,0|2,0,0]=4 564 B17R2.216 Fc1cnc(cn1)SCCN2CCOCC2 62a_100009856528_100000211760 [1,1,0,0,0,0|2,0,0]=4 565 B17R2.216 Nc1cnc(cn1)SCCN2CCOCC2 62a_100000744751_100000211760 [1,1,0,0,0,0|2,0,0]=4 566 B17R2.216 Oc1cnc(cn1)SCCN2CCOCC2 62a_100011934580_100000211760 [1,1,0,0,0,0|2,0,0]=4 567 B17R2.3956 Cc1nccnc1CNCC2CCOCC2 2230a_100020641712_100000754603 [1,1,0,0,0,0|1,0,1]=4 568 B17R2.3956 Cc1nccnc1CNCC2CCOCC2 270004a_100000746373_100000050726 [1,1,0,0,0,0|1,0,1]=4 569 B17R2.3956 Cc1nccnc1CNCC2CCOCC2 34a_100020641712_100000754603 [1,1,0,0,0,0|1,0,1]=4 570 B17R2.3956 Cc1nccnc1NCCN2CCOCC2 27a_100000211067_100011999405 [1,1,0,0,0,0|2,0,0]=4 571 B17R2.3956 Cc1nccnc1SCCN2CCOCC2 62a_100011999405_100000211760 [1,1,0,0,0,0|2,0,0]=4 572 B17R2.3956 Clc1nccnc1CNCC2CCOCC2 2230a_100000729963_100000754603 [1,1,0,0,0,0|1,0,1]=4 573 B17R2.3956 Clc1nccnc1SCCN2CCOCC2 62a_100010886584_100000211760 [1,1,0,0,0,0|2,0,0]=4 574 B17R2.3956 Fc1nccnc1NCCN2CCOCC2 27a_100000211067_200010125657 [1,1,0,0,0,0|2,0,0]=4 575 B17R2.3956 Fc1nccnc1SCCN2CCOCC2 62a_200010125657_100000211760 [1,1,0,0,0,0|2,0,0]=4 576 B17R2.3956 Nc1nccnc1SCCN2CCOCC2 62a_100000747729_100000211760 [1,1,0,0,0,0|2,0,0]=4 577 B17R2.5301 Cc1cncc(n1)CNCC2CCOCC2 207a_100000746373_100000100294 [1,1,0,0,0,0|1,0,1]=4 578 B17R2.5301 Cc1cncc(n1)CNCC2CCOCC2 270004a_100000746373_100000100294 [1,1,0,0,0,0|1,0,1]=4 579 B17R2.5301 Cc1cncc(n1)NCCN2CCOCC2 27a_100000211067_100000754123 [1,1,0,0,0,0|2,0,0]=4 580 B17R2.5301 Cc1cncc(n1)SCCN2CCOCC2 62a_100000754123_100000211760 [1,1,0,0,0,0|2,0,0]=4 581 B17R2.5301 Clc1cncc(n1)NCCN2CCOCC2 27a_100000211067_100010892449 [1,1,0,0,0,0|2,0,0]=4 582 B17R2.5301 Clc1cncc(n1)SCCN2CCOCC2 62a_100010892449_100000211760 [1,1,0,0,0,0|2,0,0]=4 583 B17R2.5301 Fc1cncc(n1)NCCN2CCOCC2 27a_100000211067_200009863489 [1,1,0,0,0,0|2,0,0]=4 584 B17R2.5301 Fc1cncc(n1)SCCN2CCOCC2 62a_200009863489_100000211760 [1,1,0,0,0,0|2,0,0]=4 585 B17R2.5301 Nc1cncc(n1)SCCN2CCOCC2 62a_100000747728_100000211760 [1,1,0,0,0,0|2,0,0]=4 586 B17R2.24812 CC1(CCOCC1)CNCc2cnccn2 2230a_100000695556_100016995436 [1,1,0,0,0,0|1,0,1]=4 587 B17R2.24812 CC1(CCOCC1)CNCc2cnccn2 270004a_100000695556_100000749867 [1,1,0,0,0,0|1,0,1]=4 588 B17R2.24812 CC1(CCOCC1)CNCc2cnccn2 34a_100000695556_100016995436 [1,1,0,0,0,0|1,0,1]=4 589 B17R2.24812 FC1(CCOCC1)CNCc2cnccn2 2230a_100016991512_100016995436 [1,1,0,0,0,0|1,0,1]=4 590 B17R2.24812 FC1(CCOCC1)CNCc2cnccn2 270004a_100016991512_100000749867 [1,1,0,0,0,0|1,0,1]=4 591 B17R2.24812 FC1(CCOCC1)CNCc2cnccn2 34a_100016991512_100016995436 [1,1,0,0,0,0|1,0,1]=4 592 B17R2.24812 OC1(CCOCC1)CNCc2cnccn2 2230a_100000704115_100016995436 [1,1,0,0,0,0|1,0,1]=4 593 B17R2.24812 OC1(CCOCC1)CNCc2cnccn2 270004a_100000704115_100000749867 [1,1,0,0,0,0|1,0,1]=4 594 B17R2.24812 OC1(CCOCC1)CNCc2cnccn2 34a_100000704115_100016995436 [1,1,0,0,0,0|1,0,1]=4 595 B17R2.192 Cc1ccc(cc1)C(=O)CN2CCOCC2 2230a_100015191051_100000211441 [0,1,0,0,1,0|2,0,0]=4 596 B17R2.192 Cc1ccc(cc1)C(=O)CN2CCOCC2 269982a_100015191051_100000211441 [0,1,0,0,1,0|2,0,0]=4 597 B17R2.192 Cc1ccc(cc1)C(=O)CN2CCOCC2 34a_100015191051_100000211441 [0,1,0,0,1,0|2,0,0]=4 598 B17R2.192 Cc1ccc(cn1)C(=O)CN2CCOCC2 269982a_100015191051_100012027583 [0,1,0,0,1,0|1,0,0]=3 599 B17R2.192 Cc1ccc(cn1)C(=O)CN2CCSCC2 269982a_100000737611_100012027583 [0,1,0,0,1,0|1,1,0]=4 600 B17R2.192 O=C(CN1CCOCC1)c2ccc(cc2)Br 269982a_100015191051_100000188085 [0,1,0,0,1,0|2,0,0]=4 601 B17R2.192 O=C(CN1CCOCC1)c2ccc(cc2)Br 34a_100015191051_100000188085 [0,1,0,0,1,0|2,0,0]=4 602 B17R2.192 O=C(CN1CCOCC1)c2ccc(cc2)Cl 269982a_100015191051_100000211071 [0,1,0,0,1,0|2,0,0]=4 603 B17R2.192 O=C(CN1CCOCC1)c2ccc(cc2)F 269982a_100015191051_100000211279 [0,1,0,0,1,0|2,0,0]=4 604 B17R2.192 O=C(CN1CCOCC1)c2ccc(cc2)I 269982a_100015191051_100011216261 [0,1,0,0,1,0|2,0,0]=4 605 B17R2.192 O=C(CN1CCOCC1)c2ccc(cc2)I 34a_100015191051_100011216261 [0,1,0,0,1,0|2,0,0]=4 606 B17R2.192 O=C(CN1CCOCC1)c2ccc(cc2)O 269982a_100015191051_100009814261 [0,1,0,0,1,0|2,0,0]=4 607 B17R2.192 O=C(CN1CCOCC1)c2ccc(cc2)O 34a_100015191051_100009814261 [0,1,0,0,1,0|2,0,0]=4 608 B17R2.192 O=C(CN1CCOCC1)c2ccc(cn2)Cl 269982a_100015191051_100016989621 [0,1,0,0,1,0|1,0,0]=3 609 B17R2.192 O=C(CN1CCOCC1)c2ccc(nc2)Cl 269982a_100015191051_100009864725 [0,1,0,0,1,0|1,0,0]=3 610 B17R2.192 O=C(CN1CCSCC1)c2ccc(cn2)Cl 269982a_100000737611_100016989621 [0,1,0,0,1,0|1,1,0]=4 611 B17R2.192 O=C(CN1CCSCC1)c2ccc(nc2)Cl 269982a_100000737611_100009864725 [0,1,0,0,1,0|1,1,0]=4 612 B17R2.209 C=C1CCN(CC1)CC(=O)c2ccccn2 269982a_100000752442_100000027445 [0,1,0,0,1,0|2,0,0]=4 613 B17R2.209 C=C1CCN(CC1)CC(=O)c2ccccn2 34a_100000752442_100000027445 [0,1,0,0,1,0|2,0,0]=4 614 B17R2.209 C=C1CCN(CC1)CC(=O)c2cccnc2 269982a_100000752442_100000757877 [0,1,0,0,1,0|2,0,0]=4 615 B17R2.209 CC1CCN(CC1)CC(=O)c2ccccn2 269982a_100000188429_100000027445 [0,1,0,0,1,0|2,0,0]=4 616 B17R2.209 CC1CCN(CC1)CC(=O)c2ccccn2 34a_100000188429_100000027445 [0,1,0,0,1,0|2,0,0]=4 617 B17R2.209 CC1CCN(CC1)CC(=O)c2cccnc2 269982a_100000188429_100000757877 [0,1,0,0,1,0|2,0,0]=4 618 B17R2.209 CN1CCN(CC1)CC(=O)c2ccccn2 269982a_100000188432_100000027445 [0,1,0,0,1,0|2,0,0]=4 619 B17R2.209 CN1CCN(CC1)CC(=O)c2cccnc2 269982a_100000188432_100000757877 [0,1,0,0,1,0|2,0,0]=4 620 B17R2.209 O=C(CN1CCC(CC1)F)c2ccccn2 269982a_100015193889_100000027445 [0,1,0,0,1,0|2,0,0]=4 621 B17R2.209 O=C(CN1CCC(CC1)F)c2ccccn2 34a_100015193889_100000027445 [0,1,0,0,1,0|2,0,0]=4 622 B17R2.209 O=C(CN1CCC(CC1)F)c2cccnc2 269982a_100015193889_100000757877 [0,1,0,0,1,0|2,0,0]=4 623 B17R2.209 O=C(CN1CCC(CC1)O)c2ccccn2 269982a_100025773856_100000027445 [0,1,0,0,1,0|2,0,0]=4 624 B17R2.209 O=C(CN1CCC(CC1)O)c2cccnc2 269982a_100025773856_100000757877 [0,1,0,0,1,0|2,0,0]=4 625 B17R2.209 O=C(CN1CCS(=O)CC1)c2ccccn2 269982a_100000752083_100000027445 [0,1,0,0,1,0|1,1,0]=4 626 B17R2.209 O=C(CN1CCS(=O)CC1)c2cccnc2 269982a_100000752083_100000757877 [0,1,0,0,1,0|1,1,0]=4 627 B17R2.3417 Cc1ccccc1C(=O)CN2CCOCC2 2230a_100015191051_100000741374 [0,1,0,0,1,0|2,0,0]=4 628 B17R2.3417 Cc1ccccc1C(=O)CN2CCOCC2 269982a_100015191051_100000741374 [0,1,0,0,1,0|2,0,0]=4 629 B17R2.3417 Cc1ccccc1C(=O)CN2CCOCC2 34a_100015191051_100000741374 [0,1,0,0,1,0|2,0,0]=4 630 B17R2.3417 O=C(CN1CCOCC1)c2ccccc2Br 269982a_100015191051_100000199116 [0,1,0,0,1,0|2,0,0]=4 631 B17R2.3417 O=C(CN1CCOCC1)c2ccccc2Br 34a_100015191051_100000199116 [0,1,0,0,1,0|2,0,0]=4 632 B17R2.3417 O=C(CN1CCOCC1)c2ccccc2Cl 269982a_100015191051_100000211432 [0,1,0,0,1,0|2,0,0]=4 633 B17R2.3417 O=C(CN1CCOCC1)c2ccccc2Cl 34a_100015191051_100000211432 [0,1,0,0,1,0|2,0,0]=4 634 B17R2.3417 O=C(CN1CCOCC1)c2ccccc2F 269982a_100015191051_100000204681 [0,1,0,0,1,0|2,0,0]=4 635 B17R2.3417 O=C(CN1CCOCC1)c2ccccc2F 34a_100015191051_100000204681 [0,1,0,0,1,0|2,0,0]=4 636 B17R2.3417 O=C(CN1CCOCC1)c2ccccc2O 269982a_100015191051_100000188908 [0,1,0,0,1,0|2,0,0]=4 637 B17R2.3426 CC1CCCCN1CC(=O)c2ccccn2 269982a_100000211376_100000027445 [0,1,0,0,1,0|2,0,0]=4 638 B17R2.3426 CC1CCCCN1CC(=O)c2ccccn2 34a_100000211376_100000027445 [0,1,0,0,1,0|2,0,0]=4 639 B17R2.3426 CC1CCCCN1CC(=O)c2cccnc2 269982a_100000211376_100000757877 [0,1,0,0,1,0|2,0,0]=4 640 B17R2.3426 C[C@H]1COCCN1CC(=O)c2ccccc2 269982a_100009815349_100000211460 [0,1,0,0,1,0|2,0,0]=4 641 B17R2.3426 C[C@H]1COCCN1CC(=O)c2ccccn2 269982a_100009815349_100000027445 [0,1,0,0,1,0|1,0,0]=3 642 B17R2.3426 C[C@H]1COCCN1CC(=O)c2ccccn2 34a_100009815349_100000027445 [0,1,0,0,1,0|1,0,0]=3 643 B17R2.3426 C[C@H]1COCCN1CC(=O)c2cccnc2 269982a_100009815349_100000757877 [0,1,0,0,1,0|1,0,0]=3 644 B17R2.5273 Cc1cccc(c1)C(=O)CN2CCOCC2 2230a_100015191051_100000739480 [0,1,0,0,1,0|2,0,0]=4 645 B17R2.5273 Cc1cccc(c1)C(=O)CN2CCOCC2 269982a_100015191051_100000739480 [0,1,0,0,1,0|2,0,0]=4 646 B17R2.5273 Cc1cccc(c1)C(=O)CN2CCOCC2 34a_100015191051_100000739480 [0,1,0,0,1,0|2,0,0]=4 647 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)Br 2230a_100015191051_100000212080 [0,1,0,0,1,0|2,0,0]=4 648 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)Br 269982a_100015191051_100000212080 [0,1,0,0,1,0|2,0,0]=4 649 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)Br 34a_100015191051_100000212080 [0,1,0,0,1,0|2,0,0]=4 650 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)Cl 2230a_100015191051_100000211444 [0,1,0,0,1,0|2,0,0]=4 651 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)Cl 269982a_100015191051_100000211444 [0,1,0,0,1,0|2,0,0]=4 652 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)Cl 34a_100015191051_100000211444 [0,1,0,0,1,0|2,0,0]=4 653 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)F 2230a_100015191051_100000215616 [0,1,0,0,1,0|2,0,0]=4 654 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)F 269982a_100015191051_100000215616 [0,1,0,0,1,0|2,0,0]=4 655 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)F 34a_100015191051_100000215616 [0,1,0,0,1,0|2,0,0]=4 656 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)O 269982a_100015191051_100009813753 [0,1,0,0,1,0|2,0,0]=4 657 B17R2.5273 O=C(CN1CCOCC1)c2cccc(c2)O 34a_100015191051_100009813753 [0,1,0,0,1,0|2,0,0]=4 658 B17R2.5293 CC1CN(CCO1)CC(=O)c2ccccc2 269982a_100000729577_100000211460 [0,1,0,0,1,0|2,0,0]=4 659 B17R2.5293 CC1CN(CCO1)CC(=O)c2ccccn2 269982a_100000729577_100000027445 [0,1,0,0,1,0|1,0,0]=3 660 B17R2.5293 CC1CN(CCO1)CC(=O)c2ccccn2 34a_100000729577_100000027445 [0,1,0,0,1,0|1,0,0]=3 661 B17R2.5293 CC1CN(CCO1)CC(=O)c2cccnc2 269982a_100000729577_100000757877 [0,1,0,0,1,0|1,0,0]=3 662 B17R2.5293 C[C@H]1CCCN(C1)CC(=O)c2ccccn2 269982a_100000717927_100000027445 [0,1,0,0,1,0|2,0,0]=4 663 B17R2.5293 C[C@H]1CCCN(C1)CC(=O)c2ccccn2 34a_100000717927_100000027445 [0,1,0,0,1,0|2,0,0]=4 664 B17R2.5293 C[C@H]1CCCN(C1)CC(=O)c2cccnc2 269982a_100000717927_100000757877 [0,1,0,0,1,0|2,0,0]=4 665 B17R2.5293 O=C(CN1CCCC(C1)F)c2ccccn2 269982a_100000697950_100000027445 [0,1,0,0,1,0|2,0,0]=4 666 B17R2.5293 O=C(CN1CCCC(C1)F)c2ccccn2 34a_100000697950_100000027445 [0,1,0,0,1,0|2,0,0]=4 667 B17R2.5293 O=C(CN1CCCC(C1)F)c2cccnc2 269982a_100000697950_100000757877 [0,1,0,0,1,0|2,0,0]=4 668 B17R2.5293 O=C(CN1CCCC(C1)O)c2ccccn2 269982a_100000211013_100000027445 [0,1,0,0,1,0|2,0,0]=4 669 B17R2.5293 O=C(CN1CCCC(C1)O)c2cccnc2 269982a_100000211013_100000757877 [0,1,0,0,1,0|2,0,0]=4 670 B17R2.5293 O=C(CN1CCOC(C1)O)c2ccccc2 269982a_100000688207_100000211460 [0,1,0,0,1,0|2,0,0]=4 671 B17R2.5293 O=C(CN1CCOC(C1)O)c2ccccn2 269982a_100000688207_100000027445 [0,1,0,0,1,0|1,0,0]=3 672 B17R2.5293 O=C(CN1CCOC(C1)O)c2cccnc2 269982a_100000688207_100000757877 [0,1,0,0,1,0|1,0,0]=3 673 B17R2.10205 CC(C(=O)c1ccccc1)N2CCOCC2 2230a_100015191051_100000239700 [0,1,0,0,1,0|2,0,0]=4 674 B17R2.10205 CC(C(=O)c1ccccc1)N2CCOCC2 269982a_100015191051_100000239700 [0,1,0,0,1,0|2,0,0]=4 675 B17R2.3429 C[C@H]1COCCN1CCC(=O)c2cccs2 2230a_100009815349_100011290775 [0,1,0,0,1,0|2,0,0]=4 676 B17R2.3429 C[C@H]1COCCN1CCC(=O)c2cccs2 269982a_100009815349_100011290775 [0,1,0,0,1,0|2,0,0]=4 677 B17R2.5287 CC1CN(CCO1)CCC(=O)c2cccs2 2230a_100000729577_100011290775 [0,1,0,0,1,0|2,0,0]=4 678 B17R2.5287 CC1CN(CCO1)CCC(=O)c2cccs2 269982a_100000729577_100011290775 [0,1,0,0,1,0|2,0,0]=4 679 B17R2.5287 O=C(CCN1CCOC(C1)O)c2cccs2 2230a_100000688207_100011290775 [0,1,0,0,1,0|2,0,0]=4 680 B17R2.5287 O=C(CCN1CCOC(C1)O)c2cccs2 269982a_100000688207_100011290775 [0,1,0,0,1,0|2,0,0]=4 681 B17R2.3241 CC1CCC(=NNC(=O)c2cnccn2)C1 4a_100000189795_100011215218 [0,1,0,0,1,0|2,0,0]=4 682 B17R2.3241 O=C(NN=C1CCC(C1)O)c2cnccn2 4a_100000189795_100012614533 [0,1,0,0,1,0|2,0,0]=4 683 B17R2.3283 Cc1cnc(cn1)C(=O)NN=C2CCCC2 4a_100000189800_100000210133 [0,1,0,0,1,0|2,0,0]=4 684 B17R2.3283 Cc1cnc(cn1)C(=O)NN=C2CCOC2 4a_100000189800_100000752484 [0,1,0,0,1,0|2,0,0]=4 685 B17R2.3283 O=C(NN=C1CCCC1)c2cnc(cn2)Cl 4a_200012021860_100000210133 [0,1,0,0,1,0|2,0,0]=4 686 B17R2.3283 O=C(NN=C1CCOC1)c2cnc(cn2)Cl 4a_200012021860_100000752484 [0,1,0,0,1,0|2,0,0]=4 687 B17R2.3519 CC1CCCC1=NNC(=O)c2cnccn2 4a_100000189795_100000752053 [0,1,0,0,1,0|2,0,0]=4 688 B17R2.3519 CC1OCCC1=NNC(=O)c2cnccn2 4a_100000189795_100000691750 [0,1,0,0,1,0|2,0,0]=4 689 B17R2.3519 O=C(NN=C1CCCC1O)c2cnccn2 4a_100000189795_200000719330 [0,1,0,0,1,0|2,0,0]=4 690 B17R2.3950 Cc1nccnc1C(=O)NN=C2CCCC2 4a_100011104864_100000210133 [0,1,0,0,1,0|2,0,0]=4 691 B17R2.3950 Cc1nccnc1C(=O)NN=C2CCOC2 4a_100011104864_100000752484 [0,1,0,0,1,0|2,0,0]=4 692 B19R2.286 CC1CCC(CC1)CNC(=O)Cc2cnccn2 11a_103436935547_100000726051 [0,1,0,0,0,1|2,0,0]=4 693 B19R2.286 CC1CCC(CC1)CNC(=O)Cc2cnccn2 240690a_103436935547_100000726051 [0,1,0,0,0,1|2,0,0]=4 694 B19R2.286 CC1CCC(CC1)CNC(=O)Cc2cnccn2 527a_103436935547_100000726051 [0,1,0,0,0,1|2,0,0]=4 695 B19R2.286 CC1CCN(CC1)CCC(=O)Cc2cnccn2 1458a_100000740328_100016995436 [0,1,0,0,0,1|2,0,0]=4 696 B19R2.286 CN1CCC(CC1)CNC(=O)Cc2cnccn2 240690a_100000746316_100000726051 [0,1,0,0,0,1|2,0,0]=4 697 B19R2.286 CN1CCC(CC1)CNC(=O)Cc2cnccn2 527a_100000746316_100000726051 [0,1,0,0,0,1|2,0,0]=4 698 B19R2.286 CN1CCN(CC1)CCC(=O)Cc2cnccn2 1458a_100020627268_100016995436 [0,1,0,0,0,1|2,0,0]=4 699 B19R2.4385 Cc1cccc(n1)CC(=O)CCN2CCOCC2 1458a_100000749337_100000757606 [0,1,0,0,0,1|2,0,0]=4 700 B19R2.4385 Cc1cccc(n1)CC(=O)CCN2CCOCC2 1458a_100012001110_100000753993 [0,1,0,0,0,1|2,0,0]=4 701 B19R2.4385 Cc1cccc(n1)CC(=O)NCC2CCOCC2 11a_100000746373_100012001110 [0,1,0,0,0,1|2,0,0]=4 702 B19R2.4385 Cc1cccc(n1)CC(=O)NCC2CCOCC2 1626a_100000746373_100012001110 [0,1,0,0,0,1|2,0,0]=4 703 B19R2.4385 Cc1cccc(n1)CC(=O)NCC2CCOCC2 240690a_100000746373_100012001110 [0,1,0,0,0,1|2,0,0]=4 704 B19R2.4385 Cc1cccc(n1)CC(=O)NCC2CCOCC2 527a_100000746373_100012001110 [0,1,0,0,0,1|2,0,0]=4 705 B19R2.4385 Cc1ccnc(c1)CC(=O)CCN2CCOCC2 1458a_100000749337_100000718516 [0,1,0,0,0,1|2,0,0]=4 706 B19R2.4385 Cc1cncc(c1)CC(=O)CCN2CCOCC2 1458a_100000749337_100000716715 [0,1,0,0,0,1|2,0,0]=4 707 B19R2.4385 O=C(CCN1CCOCC1)Cc2cc(ccn2)Br 1458a_100000749337_100010173614 [0,1,0,0,0,1|2,0,0]=4 708 B19R2.4385 O=C(CCN1CCOCC1)Cc2cc(ccn2)Cl 1458a_100000749337_100016988179 [0,1,0,0,0,1|2,0,0]=4 709 B19R2.4385 O=C(CCN1CCOCC1)Cc2cccc(n2)Br 1458a_100000749337_100009889011 [0,1,0,0,0,1|2,0,0]=4 710 B19R2.4385 O=C(CCN1CCOCC1)Cc2cccc(n2)Br 1458a_100010201708_100000753993 [0,1,0,0,0,1|2,0,0]=4 711 B19R2.4385 O=C(CCN1CCOCC1)Cc2cccc(n2)Cl 1458a_100000090259_100000753993 [0,1,0,0,0,1|2,0,0]=4 712 B19R2.4385 O=C(CCN1CCOCC1)Cc2cccc(n2)Cl 1458a_100000749337_100000086093 [0,1,0,0,0,1|2,0,0]=4 713 B19R2.4385 O=C(CCN1CCOCC1)Cc2cccc(n2)F 1458a_100000096803_100000753993 [0,1,0,0,0,1|2,0,0]=4 714 B19R2.4385 O=C(CCN1CCOCC1)Cc2cccc(n2)F 1458a_100000749337_100009819644 [0,1,0,0,0,1|2,0,0]=4 715 B19R2.4385 O=C(CCN1CCOCC1)Cc2cncc(c2)Br 1458a_100000239331_100000753993 [0,1,0,0,0,1|2,0,0]=4 716 B19R2.4385 O=C(CCN1CCOCC1)Cc2cncc(c2)Br 1458a_100000749337_100011740620 [0,1,0,0,0,1|2,0,0]=4 717 B19R2.4385 O=C(CCN1CCOCC1)Cc2cncc(c2)Cl 1458a_100000749337_100016992070 [0,1,0,0,0,1|2,0,0]=4 718 B19R2.4385 O=C(CCN1CCOCC1)Cc2cncc(c2)F 1458a_100000749337_100000725299 [0,1,0,0,0,1|2,0,0]=4 719 B19R2.4385 O=C(CCN1CCOCC1)Cc2cncc(c2)F 1458a_100011667516_100000753993 [0,1,0,0,0,1|2,0,0]=4 720 B19R2.4385 O=C(Cc1cccc(n1)Br)NCC2CCOCC2 11a_100000746373_100010201708 [0,1,0,0,0,1|2,0,0]=4 721 B19R2.4385 O=C(Cc1cccc(n1)Br)NCC2CCOCC2 240690a_100000746373_100010201708 [0,1,0,0,0,1|2,0,0]=4 722 B19R2.4385 O=C(Cc1cccc(n1)Br)NCC2CCOCC2 527a_100000746373_100010201708 [0,1,0,0,0,1|2,0,0]=4 723 B19R2.4385 O=C(Cc1cccc(n1)Cl)NCC2CCOCC2 11a_100000746373_100000090259 [0,1,0,0,0,1|2,0,0]=4 724 B19R2.4385 O=C(Cc1cccc(n1)Cl)NCC2CCOCC2 1626a_100000746373_100000090259 [0,1,0,0,0,1|2,0,0]=4 725 B19R2.4385 O=C(Cc1cccc(n1)Cl)NCC2CCOCC2 240690a_100000746373_100000090259 [0,1,0,0,0,1|2,0,0]=4 726 B19R2.4385 O=C(Cc1cccc(n1)F)NCC2CCOCC2 11a_100000746373_100000096803 [0,1,0,0,0,1|2,0,0]=4 727 B19R2.4385 O=C(Cc1cccc(n1)F)NCC2CCOCC2 1626a_100000746373_100000096803 [0,1,0,0,0,1|2,0,0]=4 728 B19R2.4385 O=C(Cc1cccc(n1)F)NCC2CCOCC2 240690a_100000746373_100000096803 [0,1,0,0,0,1|2,0,0]=4 729 B19R2.4385 O=C(Cc1cncc(c1)Br)NCC2CCOCC2 11a_100000746373_100000239331 [0,1,0,0,0,1|2,0,0]=4 730 B19R2.4385 O=C(Cc1cncc(c1)Br)NCC2CCOCC2 240690a_100000746373_100000239331 [0,1,0,0,0,1|2,0,0]=4 731 B19R2.4385 O=C(Cc1cncc(c1)Br)NCC2CCOCC2 527a_100000746373_100000239331 [0,1,0,0,0,1|2,0,0]=4 732 B19R2.4385 O=C(Cc1cncc(c1)F)NCC2CCOCC2 11a_100000746373_100011667516 [0,1,0,0,0,1|2,0,0]=4 733 B19R2.4385 O=C(Cc1cncc(c1)F)NCC2CCOCC2 240690a_100000746373_100011667516 [0,1,0,0,0,1|2,0,0]=4 734 B19R2.4385 O=C(Cc1cncc(c1)F)NCC2CCOCC2 527a_100000746373_100011667516 [0,1,0,0,0,1|2,0,0]=4 735 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCCCC2 11a_100000210473_100000095580 [0,1,0,0,0,1|2,0,0]=4 736 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCCCC2 1626a_100000210473_100000095580 [0,1,0,0,0,1|2,0,0]=4 737 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCCCC2 240690a_100000210473_100000095580 [0,1,0,0,0,1|2,0,0]=4 738 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCCCC2 527a_100000210473_100000095580 [0,1,0,0,0,1|2,0,0]=4 739 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCOCC2 11a_100000746373_100000095580 [0,1,0,0,0,1|1,0,0]=3 740 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCOCC2 1626a_100000746373_100000095580 [0,1,0,0,0,1|1,0,0]=3 741 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCOCC2 240690a_100000746373_100000095580 [0,1,0,0,0,1|1,0,0]=3 742 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCOCC2 527a_100000746373_100000095580 [0,1,0,0,0,1|1,0,0]=3 743 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCSCC2 11a_100015188806_100000095580 [0,1,0,0,0,1|1,1,0]=4 744 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCSCC2 240690a_100015188806_100000095580 [0,1,0,0,0,1|1,1,0]=4 745 B19R2.4385 O=C(Cc1cncc(n1)Cl)NCC2CCSCC2 527a_100015188806_100000095580 [0,1,0,0,0,1|1,1,0]=4 746 B19R2.4482 C[C@H]1COCCN1CCC(=O)Nc2cccnc2 2230a_100009815349_200015187043 [0,1,0,0,0,1|2,0,0]=4 747 B19R2.4482 C[C@H]1COCCN1CCC(=O)Nc2cccnc2 269982a_100009815349_200015187043 [0,1,0,0,0,1|2,0,0]=4 748 B19R2.4482 O=C(Cc1cnccn1)NCC2CCCCC2O 240690a_100011216029_100000726051 [0,1,0,0,0,1|2,0,0]=4 749 B19R2.4482 O=C(Cc1cnccn1)NCC2CCCCC2O 527a_100011216029_100000726051 [0,1,0,0,0,1|2,0,0]=4 750 B19R2.4485 Cc1cccnc1CC(=O)CCN2CCOCC2 1458a_100000749337_100000696600 [0,1,0,0,0,1|2,0,0]=4 751 B19R2.4485 Cc1cccnc1CC(=O)CCN2CCOCC2 1458a_200000722269_100000753993 [0,1,0,0,0,1|2,0,0]=4 752 B19R2.4485 Cc1cccnc1CC(=O)NCC2CCOCC2 11a_100000746373_200000722269 [0,1,0,0,0,1|2,0,0]=4 753 B19R2.4485 Cc1cccnc1CC(=O)NCC2CCOCC2 1626a_100000746373_200000722269 [0,1,0,0,0,1|2,0,0]=4 754 B19R2.4485 Cc1cccnc1CC(=O)NCC2CCOCC2 240690a_100000746373_200000722269 [0,1,0,0,0,1|2,0,0]=4 755 B19R2.4485 Cc1ccncc1CC(=O)CCN2CCOCC2 1458a_100000749337_100000690890 [0,1,0,0,0,1|2,0,0]=4 756 B19R2.4485 Cc1ncccc1CC(=O)CCN2CCOCC2 1458a_100000749337_100000732876 [0,1,0,0,0,1|2,0,0]=4 757 B19R2.4485 O=C(CCN1CCOCC1)Cc2cccnc2Br 1458a_100000749337_100010140945 [0,1,0,0,0,1|2,0,0]=4 758 B19R2.4485 O=C(CCN1CCOCC1)Cc2cccnc2Cl 1458a_100000093521_100000753993 [0,1,0,0,0,1|2,0,0]=4 759 B19R2.4485 O=C(CCN1CCOCC1)Cc2cccnc2Cl 1458a_100000749337_100000045678 [0,1,0,0,0,1|2,0,0]=4 760 B19R2.4485 O=C(CCN1CCOCC1)Cc2cccnc2F 1458a_100000749337_100000099810 [0,1,0,0,0,1|2,0,0]=4 761 B19R2.4485 O=C(CCN1CCOCC1)Cc2ncccc2Br 1458a_100000749337_100025702911 [0,1,0,0,0,1|2,0,0]=4 762 B19R2.4485 O=C(CCN1CCOCC1)Cc2ncccc2Br 1458a_200012357574_100000753993 [0,1,0,0,0,1|2,0,0]=4 763 B19R2.4485 O=C(CCN1CCOCC1)Cc2ncccc2Cl 1458a_100000749337_100000099807 [0,1,0,0,0,1|2,0,0]=4 764 B19R2.4485 O=C(CCN1CCOCC1)Cc2ncccc2Cl 1458a_100011998755_100000753993 [0,1,0,0,0,1|2,0,0]=4 765 B19R2.4485 O=C(CCN1CCOCC1)Cc2ncccc2F 1458a_100000749337_100000104219 [0,1,0,0,0,1|2,0,0]=4 766 B19R2.4485 O=C(CCN1CCOCC1)Cc2ncccc2O 1458a_100000749337_200020655725 [0,1,0,0,0,1|2,0,0]=4 767 B19R2.4485 O=C(Cc1cccnc1Cl)NCC2CCOCC2 11a_100000746373_100000093521 [0,1,0,0,0,1|2,0,0]=4 768 B19R2.4485 O=C(Cc1cccnc1Cl)NCC2CCOCC2 1626a_100000746373_100000093521 [0,1,0,0,0,1|2,0,0]=4 769 B19R2.4485 O=C(Cc1cccnc1Cl)NCC2CCOCC2 240690a_100000746373_100000093521 [0,1,0,0,0,1|2,0,0]=4 770 B19R2.4485 O=C(Cc1cccnc1Cl)NCC2CCOCC2 527a_100000746373_100000093521 [0,1,0,0,0,1|2,0,0]=4 771 B19R2.4485 O=C(Cc1ncccc1Br)NCC2CCOCC2 11a_100000746373_200012357574 [0,1,0,0,0,1|2,0,0]=4 772 B19R2.4485 O=C(Cc1ncccc1Br)NCC2CCOCC2 240690a_100000746373_200012357574 [0,1,0,0,0,1|2,0,0]=4 773 B19R2.4485 O=C(Cc1ncccc1Cl)NCC2CCOCC2 11a_100000746373_100011998755 [0,1,0,0,0,1|2,0,0]=4 774 B19R2.4485 O=C(Cc1ncccc1Cl)NCC2CCOCC2 240690a_100000746373_100011998755 [0,1,0,0,0,1|2,0,0]=4 775 B19R2.4485 O=C(Cc1ncccc1Cl)NCC2CCOCC2 527a_100000746373_100011998755 [0,1,0,0,0,1|2,0,0]=4 776 B19R2.7672 CC1CCCN(C1)CCC(=O)Cc2cnccn2 1458a_200000177587_100016995436 [0,1,0,0,0,1|2,0,0]=4 777 B19R2.7672 CC1CN(CCO1)CCC(=O)Nc2cccnc2 2230a_100000729577_200015187043 [0,1,0,0,0,1|2,0,0]=4 778 B19R2.7672 CC1CN(CCO1)CCC(=O)Nc2cccnc2 269982a_100000729577_200015187043 [0,1,0,0,0,1|2,0,0]=4 779 B19R2.7672 O=C(CCN1CCOC(C1)O)Nc2cccnc2 2230a_100000688207_200015187043 [0,1,0,0,0,1|2,0,0]=4 780 B19R2.7672 O=C(CCN1CCOC(C1)O)Nc2cccnc2 269982a_100000688207_200015187043 [0,1,0,0,0,1|2,0,0]=4 781 B19R2.7672 O=C(Cc1cnccn1)NCC2CCCC(C2)O 240690a_100011254705_100000726051 [0,1,0,0,0,1|2,0,0]=4 782 B19R2.7672 O=C(Cc1cnccn1)NCC2CCCC(C2)O 527a_100011254705_100000726051 [0,1,0,0,0,1|2,0,0]=4 783 B19R2.8924 C=C(CN1CCOCC1)C(=O)Cc2ccccn2 1458a_100011356479_100000721315 [0,1,0,0,0,1|2,0,0]=4 784 B19R2.8924 C=C(CN1CCOCC1)C(=O)Cc2cccnc2 1458a_100011356479_100000733263 [0,1,0,0,0,1|2,0,0]=4 785 B19R2.8924 C=C(CN1CCOCC1)C(=O)Cc2cnccn2 1458a_100011356479_100016995436 [0,1,0,0,0,1|1,0,0]=3 786 B19R2.8924 CC(CN1CCCCC1)C(=O)Cc2cnccn2 1458a_100000740234_100016995436 [0,1,0,0,0,1|2,0,0]=4 787 B19R2.8924 CC(CN1CCOCC1)C(=O)Cc2ccccn2 1458a_100000740327_100000721315 [0,1,0,0,0,1|2,0,0]=4 788 B19R2.8924 CC(CN1CCOCC1)C(=O)Cc2cccnc2 1458a_100000740327_100000733263 [0,1,0,0,0,1|2,0,0]=4 789 B19R2.8924 CC(CN1CCOCC1)C(=O)Cc2cnccn2 1458a_100000740327_100016995436 [0,1,0,0,0,1|1,0,0]=3 790 B19R2.8924 CN(CC1CCCCC1)C(=O)Cc2cnccn2 11a_100000736448_100000726051 [0,1,0,0,0,1|2,0,0]=4 791 B19R2.8924 CN(CC1CCCCC1)C(=O)Cc2cnccn2 240690a_100000736448_100000726051 [0,1,0,0,0,1|2,0,0]=4 792 B19R2.8924 CN(CC1CCCCC1)C(=O)Cc2cnccn2 527a_100000736448_100000726051 [0,1,0,0,0,1|2,0,0]=4 793 B19R2.8924 CN(CC1CCOCC1)C(=O)Cc2ccccn2 11a_100025706683_100000233486 [0,1,0,0,0,1|2,0,0]=4 794 B19R2.8924 CN(CC1CCOCC1)C(=O)Cc2cccnc2 11a_100025706683_100000737805 [0,1,0,0,0,1|2,0,0]=4 795 B19R2.8924 CN(CC1CCOCC1)C(=O)Cc2cccnc2 240690a_100025706683_100000737805 [0,1,0,0,0,1|2,0,0]=4 796 B19R2.8924 CN(CC1CCOCC1)C(=O)Cc2cccnc2 527a_100025706683_100000737805 [0,1,0,0,0,1|2,0,0]=4 797 B19R2.8924 CN(CC1CCOCC1)C(=O)Cc2cnccn2 11a_100025706683_100000726051 [0,1,0,0,0,1|1,0,0]=3 798 B19R2.8924 CN(CC1CCOCC1)C(=O)Cc2cnccn2 240690a_100025706683_100000726051 [0,1,0,0,0,1|1,0,0]=3 799 B19R2.8924 CN(CC1CCOCC1)C(=O)Cc2cnccn2 527a_100025706683_100000726051 [0,1,0,0,0,1|1,0,0]=3 800 B19R2.8924 CN(CC1CCSCC1)C(=O)Cc2cnccn2 11a_100011935259_100000726051 [0,1,0,0,0,1|1,1,0]=4 801 B19R2.8924 CN(CC1CCSCC1)C(=O)Cc2cnccn2 240690a_100011935259_100000726051 [0,1,0,0,0,1|1,1,0]=4 802 B19R2.8924 CN(CC1CCSCC1)C(=O)Cc2cnccn2 527a_100011935259_100000726051 [0,1,0,0,0,1|1,1,0]=4 803 B19R2.8929 CC(CC(=O)Cc1cnccn1)N2CCCCC2 1458a_100015187720_100016995436 [0,1,0,0,0,1|2,0,0]=4 804 B19R2.8929 C[C@@H](NC(=O)Cc1cnccn1)C2CCCCC2 11a_100025707633_100000726051 [0,1,0,0,0,1|2,0,0]=4 805 B19R2.8929 C[C@@H](NC(=O)Cc1cnccn1)C2CCCCC2 240690a_100025707633_100000726051 [0,1,0,0,0,1|2,0,0]=4 806 B19R2.8929 C[C@@H](NC(=O)Cc1cnccn1)C2CCCCC2 527a_100025707633_100000726051 [0,1,0,0,0,1|2,0,0]=4 807 B19R2.8929 O=C(CC(=O)N1CCOCC1)Cc2cnccn2 1458a_100011623754_100016995436 [0,1,0,0,0,1|1,0,1]=4 808 B19R2.11857 Cc1ccc(cn1)CC(=O)CCN2CCOCC2 1458a_100000740413_100000753993 [0,1,0,0,0,1|2,0,0]=4 809 B19R2.11857 Cc1ccc(cn1)CC(=O)CCN2CCOCC2 1458a_100000749337_100016987292 [0,1,0,0,0,1|2,0,0]=4 810 B19R2.11857 Cc1ccc(cn1)CC(=O)NCC2CCOCC2 11a_100000746373_100000740413 [0,1,0,0,0,1|2,0,0]=4 811 B19R2.11857 Cc1ccc(cn1)CC(=O)NCC2CCOCC2 1626a_100000746373_100000740413 [0,1,0,0,0,1|2,0,0]=4 812 B19R2.11857 Cc1ccc(cn1)CC(=O)NCC2CCOCC2 240690a_100000746373_100000740413 [0,1,0,0,0,1|2,0,0]=4 813 B19R2.11857 Cc1ccc(cn1)CC(=O)NCC2CCOCC2 527a_100000746373_100000740413 [0,1,0,0,0,1|2,0,0]=4 814 B19R2.11857 Cc1ccc(nc1)CC(=O)CCN2CCOCC2 1458a_100000749337_100000691093 [0,1,0,0,0,1|2,0,0]=4 815 B19R2.11857 Cc1ccc(nc1)CC(=O)CCN2CCOCC2 1458a_100025705728_100000753993 [0,1,0,0,0,1|2,0,0]=4 816 B19R2.11857 Cc1ccc(nc1)CC(=O)NCC2CCOCC2 11a_100000746373_100025705728 [0,1,0,0,0,1|2,0,0]=4 817 B19R2.11857 Cc1ccc(nc1)CC(=O)NCC2CCOCC2 1626a_100000746373_100025705728 [0,1,0,0,0,1|2,0,0]=4 818 B19R2.11857 Cc1ccc(nc1)CC(=O)NCC2CCOCC2 240690a_100000746373_100025705728 [0,1,0,0,0,1|2,0,0]=4 819 B19R2.11857 Cc1cnc(cn1)CC(=O)CCN2CCCCC2 1458a_100000743487_100000752025 [0,1,0,0,0,1|2,0,0]=4 820 B19R2.11857 Cc1cnc(cn1)CC(=O)CCN2CCOCC2 1458a_100000749337_100000752025 [0,1,0,0,0,1|1,0,0]=3 821 B19R2.11857 O=C(CCN1CCOCC1)Cc2ccc(cn2)Br 1458a_100000749337_100000702658 [0,1,0,0,0,1|2,0,0]=4 822 B19R2.11857 O=C(CCN1CCOCC1)Cc2ccc(cn2)Br 1458a_100020629044_100000753993 [0,1,0,0,0,1|2,0,0]=4 823 B19R2.11857 O=C(CCN1CCOCC1)Cc2ccc(cn2)Cl 1458a_100000728320_100000753993 [0,1,0,0,0,1|2,0,0]=4 824 B19R2.11857 O=C(CCN1CCOCC1)Cc2ccc(cn2)Cl 1458a_100000749337_100012066911 [0,1,0,0,0,1|2,0,0]=4 825 B19R2.11857 O=C(CCN1CCOCC1)Cc2ccc(cn2)F 1458a_100000749337_100000703193 [0,1,0,0,0,1|2,0,0]=4 826 B19R2.11857 O=C(CCN1CCOCC1)Cc2ccc(nc2)Br 1458a_100000749337_100009831999 [0,1,0,0,0,1|2,0,0]=4 827 B19R2.11857 O=C(CCN1CCOCC1)Cc2ccc(nc2)Br 1458a_100010067268_100000753993 [0,1,0,0,0,1|2,0,0]=4 828 B19R2.11857 O=C(CCN1CCOCC1)Cc2ccc(nc2)Cl 1458a_100000061944_100000753993 [0,1,0,0,0,1|2,0,0]=4 829 B19R2.11857 O=C(CCN1CCOCC1)Cc2ccc(nc2)Cl 1458a_100000749337_100000735431 [0,1,0,0,0,1|2,0,0]=4 830 B19R2.11857 O=C(CCN1CCOCC1)Cc2ccc(nc2)F 1458a_100000749337_100009820150 [0,1,0,0,0,1|2,0,0]=4 831 B19R2.11857 O=C(Cc1ccc(cn1)Br)NCC2CCOCC2 11a_100000746373_100020629044 [0,1,0,0,0,1|2,0,0]=4 832 B19R2.11857 O=C(Cc1ccc(cn1)Br)NCC2CCOCC2 240690a_100000746373_100020629044 [0,1,0,0,0,1|2,0,0]=4 833 B19R2.11857 O=C(Cc1ccc(cn1)Cl)NCC2CCOCC2 11a_100000746373_100000728320 [0,1,0,0,0,1|2,0,0]=4 834 B19R2.11857 O=C(Cc1ccc(cn1)Cl)NCC2CCOCC2 1626a_100000746373_100000728320 [0,1,0,0,0,1|2,0,0]=4 835 B19R2.11857 O=C(Cc1ccc(cn1)Cl)NCC2CCOCC2 240690a_100000746373_100000728320 [0,1,0,0,0,1|2,0,0]=4 836 B19R2.11857 O=C(Cc1ccc(cn1)Cl)NCC2CCOCC2 527a_100000746373_100000728320 [0,1,0,0,0,1|2,0,0]=4 837 B19R2.11857 O=C(Cc1ccc(nc1)Br)NCC2CCOCC2 11a_100000746373_100010067268 [0,1,0,0,0,1|2,0,0]=4 838 B19R2.11857 O=C(Cc1ccc(nc1)Br)NCC2CCOCC2 240690a_100000746373_100010067268 [0,1,0,0,0,1|2,0,0]=4 839 B19R2.11857 O=C(Cc1ccc(nc1)Br)NCC2CCOCC2 527a_100000746373_100010067268 [0,1,0,0,0,1|2,0,0]=4 840 B19R2.11857 O=C(Cc1ccc(nc1)Cl)NCC2CCOCC2 11a_100000746373_100000061944 [0,1,0,0,0,1|2,0,0]=4 841 B19R2.11857 O=C(Cc1ccc(nc1)Cl)NCC2CCOCC2 1626a_100000746373_100000061944 [0,1,0,0,0,1|2,0,0]=4 842 B19R2.11857 O=C(Cc1ccc(nc1)Cl)NCC2CCOCC2 240690a_100000746373_100000061944 [0,1,0,0,0,1|2,0,0]=4 843 B19R2.11857 O=C(Cc1ccc(nc1)Cl)NCC2CCOCC2 527a_100000746373_100000061944 [0,1,0,0,0,1|2,0,0]=4 844 B19R2.16158 CC(C(=O)CCN1CCCCC1)c2cnccn2 1458a_100000743487_200000703233 [0,1,0,0,0,1|2,0,0]=4 845 B19R2.16158 CC(C(=O)CCN1CCOCC1)c2ccccn2 1458a_100000722050_100000753993 [0,1,0,0,0,1|2,0,0]=4 846 B19R2.16158 CC(C(=O)CCN1CCOCC1)c2cnccn2 1458a_100000749337_200000703233 [0,1,0,0,0,1|1,0,0]=3 847 B19R2.16158 CC(C(=O)NCC1CCOCC1)c2ccccn2 11a_100000746373_100000722050 [0,1,0,0,0,1|2,0,0]=4 848 B19R2.16158 CC(C(=O)NCC1CCOCC1)c2ccccn2 1626a_100000746373_100000722050 [0,1,0,0,0,1|2,0,0]=4 849 B19R2.16158 CC(C(=O)NCC1CCOCC1)c2ccccn2 240690a_100000746373_100000722050 [0,1,0,0,0,1|2,0,0]=4 850 B19R2.16158 CC(C(=O)NCC1CCOCC1)c2ccccn2 527a_100000746373_100000722050 [0,1,0,0,0,1|2,0,0]=4 851 B19R2.1035566 CC1(CCCCC1)CNC(=O)Cc2cnccn2 11a_100000706052_100000726051 [0,1,0,0,0,1|2,0,0]=4 852 B19R2.1035566 CC1(CCCCC1)CNC(=O)Cc2cnccn2 240690a_100000706052_100000726051 [0,1,0,0,0,1|2,0,0]=4 853 B19R2.1035566 CC1(CCCCC1)CNC(=O)Cc2cnccn2 527a_100000706052_100000726051 [0,1,0,0,0,1|2,0,0]=4 854 B19R2.1035566 CC1(CCOCC1)CNC(=O)Cc2ccccn2 11a_100000695556_100000233486 [0,1,0,0,0,1|2,0,0]=4 855 B19R2.1035566 CC1(CCOCC1)CNC(=O)Cc2cccnc2 11a_100000695556_100000737805 [0,1,0,0,0,1|2,0,0]=4 856 B19R2.1035566 CC1(CCOCC1)CNC(=O)Cc2cccnc2 240690a_100000695556_100000737805 [0,1,0,0,0,1|2,0,0]=4 857 B19R2.1035566 CC1(CCOCC1)CNC(=O)Cc2cccnc2 527a_100000695556_100000737805 [0,1,0,0,0,1|2,0,0]=4 858 B19R2.1035566 CC1(CCOCC1)CNC(=O)Cc2cnccn2 11a_100000695556_100000726051 [0,1,0,0,0,1|1,0,0]=3 859 B19R2.1035566 CC1(CCOCC1)CNC(=O)Cc2cnccn2 240690a_100000695556_100000726051 [0,1,0,0,0,1|1,0,0]=3 860 B19R2.1035566 CC1(CCOCC1)CNC(=O)Cc2cnccn2 527a_100000695556_100000726051 [0,1,0,0,0,1|1,0,0]=3 861 B19R2.1035566 O=C(Cc1ccccn1)NCC2(CCOCC2)F 11a_100016991512_100000233486 [0,1,0,0,0,1|2,0,0]=4 862 B19R2.1035566 O=C(Cc1ccccn1)NCC2(CCOCC2)O 11a_100000704115_100000233486 [0,1,0,0,0,1|2,0,0]=4 863 B19R2.1035566 O=C(Cc1cccnc1)NCC2(CCOCC2)F 11a_100016991512_100000737805 [0,1,0,0,0,1|2,0,0]=4 864 B19R2.1035566 O=C(Cc1cccnc1)NCC2(CCOCC2)F 240690a_100016991512_100000737805 [0,1,0,0,0,1|2,0,0]=4 865 B19R2.1035566 O=C(Cc1cccnc1)NCC2(CCOCC2)F 527a_100016991512_100000737805 [0,1,0,0,0,1|2,0,0]=4 866 B19R2.1035566 O=C(Cc1cccnc1)NCC2(CCOCC2)O 11a_100000704115_100000737805 [0,1,0,0,0,1|2,0,0]=4 867 B19R2.1035566 O=C(Cc1cccnc1)NCC2(CCOCC2)O 240690a_100000704115_100000737805 [0,1,0,0,0,1|2,0,0]=4 868 B19R2.1035566 O=C(Cc1cccnc1)NCC2(CCOCC2)O 527a_100000704115_100000737805 [0,1,0,0,0,1|2,0,0]=4 869 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCCCC2)O 11a_100000748649_100000726051 [0,1,0,0,0,1|2,0,0]=4 870 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCCCC2)O 240690a_100000748649_100000726051 [0,1,0,0,0,1|2,0,0]=4 871 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCCCC2)O 527a_100000748649_100000726051 [0,1,0,0,0,1|2,0,0]=4 872 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCOCC2)F 11a_100016991512_100000726051 [0,1,0,0,0,1|1,0,0]=3 873 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCOCC2)F 240690a_100016991512_100000726051 [0,1,0,0,0,1|1,0,0]=3 874 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCOCC2)F 527a_100016991512_100000726051 [0,1,0,0,0,1|1,0,0]=3 875 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCOCC2)O 11a_100000704115_100000726051 [0,1,0,0,0,1|1,0,0]=3 876 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCOCC2)O 240690a_100000704115_100000726051 [0,1,0,0,0,1|1,0,0]=3 877 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCOCC2)O 527a_100000704115_100000726051 [0,1,0,0,0,1|1,0,0]=3 878 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCSCC2)O 11a_100000758141_100000726051 [0,1,0,0,0,1|1,1,0]=4 879 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCSCC2)O 240690a_100000758141_100000726051 [0,1,0,0,0,1|1,1,0]=4 880 B19R2.1035566 O=C(Cc1cnccn1)NCC2(CCSCC2)O 527a_100000758141_100000726051 [0,1,0,0,0,1|1,1,0]=4 881 B19R2.2116 CCC(NCCN1CCOCC1)c2cnccn2 2230a_200016994365_100025781966 [0,1,0,0,0,1|1,0,1]=4 882 B19R2.4201 CC(=NNCC1CCOCC1)c2cnc(cn2)Cl 4a_200000757053_100009883172 [0,1,0,0,0,1|2,0,0]=4 883 B19R2.4201 CC(=NNCC1CCOCC1)c2cnc(cn2)O 4a_200000757053_200009840582 [0,1,0,0,0,1|2,0,0]=4 884 B19R2.4201 CC(NCCN1CCOCC1)c2cnc(cn2)Cl 269862a_100000211067_100009883172 [0,1,0,0,0,1|1,0,1]=4 885 B19R2.4201 CC(NCCN1CCOCC1)c2cnc(cn2)Cl 270004a_100000211067_100009883172 [0,1,0,0,0,1|1,0,1]=4 886 B19R2.4201 Cc1ccc(cc1)C(=O)NCCN2CCOCC2 11a_100000211067_100000188618 [0,1,0,0,0,1|2,0,0]=4 887 B19R2.4201 Cc1ccc(cc1)C(=O)NCCN2CCOCC2 240690a_100000211067_100000188618 [0,1,0,0,0,1|2,0,0]=4 888 B19R2.4201 Cc1ccc(cc1)C(=O)NCCN2CCOCC2 527a_100000211067_100000188618 [0,1,0,0,0,1|2,0,0]=4 889 B19R2.4201 Cc1cnc(cn1)C(=O)NN=CC2CCOCC2 4a_100000189800_100000749017 [0,1,0,0,0,1|1,0,1]=4 890 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)Br 11a_100000211067_100000185839 [0,1,0,0,0,1|2,0,0]=4 891 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)Br 240690a_100000211067_100000185839 [0,1,0,0,0,1|2,0,0]=4 892 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)Br 527a_100000211067_100000185839 [0,1,0,0,0,1|2,0,0]=4 893 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)Cl 11a_100000211067_100000210187 [0,1,0,0,0,1|2,0,0]=4 894 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)Cl 240690a_100000211067_100000210187 [0,1,0,0,0,1|2,0,0]=4 895 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)Cl 527a_100000211067_100000210187 [0,1,0,0,0,1|2,0,0]=4 896 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)F 11a_100000211067_100000187176 [0,1,0,0,0,1|2,0,0]=4 897 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)F 240690a_100000211067_100000187176 [0,1,0,0,0,1|2,0,0]=4 898 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)F 527a_100000211067_100000187176 [0,1,0,0,0,1|2,0,0]=4 899 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)I 11a_100000211067_100000187904 [0,1,0,0,0,1|2,0,0]=4 900 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)I 240690a_100000211067_100000187904 [0,1,0,0,0,1|2,0,0]=4 901 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)I 527a_100000211067_100000187904 [0,1,0,0,0,1|2,0,0]=4 902 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)O 240690a_100000211067_100000212099 [0,1,0,0,0,1|2,0,0]=4 903 B19R2.4201 O=C(NCCN1CCOCC1)c2ccc(cc2)O 527a_100000211067_100000212099 [0,1,0,0,0,1|2,0,0]=4 904 B19R2.4201 O=C(NN=CC1CCOCC1)c2cnc(cn2)Cl 4a_200012021860_100000749017 [0,1,0,0,0,1|1,0,1]=4 905 B19R2.4369 CC1CN(CCO1)CCNC(=O)c2ccccc2 269982a_100000729577_200011215302 [0,1,0,0,0,1|2,0,0]=4 906 B19R2.4369 O=C(NCCN1CCOC(C1)O)c2ccccc2 269982a_100000688207_200011215302 [0,1,0,0,0,1|2,0,0]=4 907 B19R2.4394 Cc1cccc(c1)C(=O)NCCN2CCOCC2 11a_100000211067_100000189346 [0,1,0,0,0,1|2,0,0]=4 908 B19R2.4394 Cc1cccc(c1)C(=O)NCCN2CCOCC2 240690a_100000211067_100000189346 [0,1,0,0,0,1|2,0,0]=4 909 B19R2.4394 Cc1cccc(c1)C(=O)NCCN2CCOCC2 527a_100000211067_100000189346 [0,1,0,0,0,1|2,0,0]=4 910 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)Br 11a_100000211067_100000210664 [0,1,0,0,0,1|2,0,0]=4 911 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)Br 240690a_100000211067_100000210664 [0,1,0,0,0,1|2,0,0]=4 912 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)Br 527a_100000211067_100000210664 [0,1,0,0,0,1|2,0,0]=4 913 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)Cl 11a_100000211067_100000210390 [0,1,0,0,0,1|2,0,0]=4 914 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)Cl 240690a_100000211067_100000210390 [0,1,0,0,0,1|2,0,0]=4 915 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)Cl 527a_100000211067_100000210390 [0,1,0,0,0,1|2,0,0]=4 916 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)F 11a_100000211067_100000210950 [0,1,0,0,0,1|2,0,0]=4 917 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)F 240690a_100000211067_100000210950 [0,1,0,0,0,1|2,0,0]=4 918 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)F 527a_100000211067_100000210950 [0,1,0,0,0,1|2,0,0]=4 919 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)I 11a_100000211067_100000184098 [0,1,0,0,0,1|2,0,0]=4 920 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)I 240690a_100000211067_100000184098 [0,1,0,0,0,1|2,0,0]=4 921 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)I 527a_100000211067_100000184098 [0,1,0,0,0,1|2,0,0]=4 922 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)O 240690a_100000211067_100000183914 [0,1,0,0,0,1|2,0,0]=4 923 B19R2.4394 O=C(NCCN1CCOCC1)c2cccc(c2)O 527a_100000211067_100000183914 [0,1,0,0,0,1|2,0,0]=4 924 B19R2.4481 C[C@H]1COCCN1CCNC(=O)c2ccccc2 269982a_100009815349_200011215302 [0,1,0,0,0,1|2,0,0]=4 925 B19R2.5666 CC(=NNCC1CCOCC1)c2nccnc2C 4a_200000757053_100000702048 [0,1,0,0,0,1|2,0,0]=4 926 B19R2.5666 CC(=NNCC1CCOCC1)c2nccnc2Cl 4a_200000757053_100000099859 [0,1,0,0,0,1|2,0,0]=4 927 B19R2.5666 CC(NCCN1CCOCC1)c2nccnc2Cl 269862a_100000211067_100000099859 [0,1,0,0,0,1|1,0,1]=4 928 B19R2.5666 Cc1ccccc1C(=O)NCCN2CCOCC2 11a_100000211067_100000212026 [0,1,0,0,0,1|2,0,0]=4 929 B19R2.5666 Cc1ccccc1C(=O)NCCN2CCOCC2 240690a_100000211067_100000212026 [0,1,0,0,0,1|2,0,0]=4 930 B19R2.5666 Cc1ccccc1C(=O)NCCN2CCOCC2 527a_100000211067_100000212026 [0,1,0,0,0,1|2,0,0]=4 931 B19R2.5666 Cc1nccnc1C(=O)NN=CC2CCOCC2 4a_100011104864_100000749017 [0,1,0,0,0,1|1,0,1]=4 932 B19R2.5666 Cc1nccnc1C(C)NCCN2CCOCC2 269862a_100000211067_100000702048 [0,1,0,0,0,1|1,0,1]=4 933 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2Br 11a_100000211067_100000188424 [0,1,0,0,0,1|2,0,0]=4 934 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2Br 240690a_100000211067_100000188424 [0,1,0,0,0,1|2,0,0]=4 935 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2Br 527a_100000211067_100000188424 [0,1,0,0,0,1|2,0,0]=4 936 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2Cl 11a_100000211067_100000185844 [0,1,0,0,0,1|2,0,0]=4 937 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2Cl 240690a_100000211067_100000185844 [0,1,0,0,0,1|2,0,0]=4 938 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2Cl 527a_100000211067_100000185844 [0,1,0,0,0,1|2,0,0]=4 939 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2F 11a_100000211067_100000188656 [0,1,0,0,0,1|2,0,0]=4 940 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2F 240690a_100000211067_100000188656 [0,1,0,0,0,1|2,0,0]=4 941 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2F 527a_100000211067_100000188656 [0,1,0,0,0,1|2,0,0]=4 942 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2I 11a_100000211067_100000187884 [0,1,0,0,0,1|2,0,0]=4 943 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2I 240690a_100000211067_100000187884 [0,1,0,0,0,1|2,0,0]=4 944 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2I 527a_100000211067_100000187884 [0,1,0,0,0,1|2,0,0]=4 945 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2O 240690a_100000211067_100015234032 [0,1,0,0,0,1|2,0,0]=4 946 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2[O-] 240690a_100000211067_100009911694 [0,1,0,0,0,1|2,0,0]=4 947 B19R2.5666 O=C(NCCN1CCOCC1)c2ccccc2[O-] 527a_100000211067_100009911694 [0,1,0,0,0,1|2,0,0]=4 948 B19R2.8898 CC(=NNC(=O)c1cnccn1)C2CCOCC2 4a_100000189795_100000759496 [0,1,0,0,0,1|1,0,1]=4 949 B19R2.8898 CC(NCC(=O)N1CCOCC1)c2cnccn2 2230a_100000697423_200000703233 [0,1,0,0,0,1|1,0,1]=4 950 B19R2.8898 CC(NCC(=O)N1CCOCC1)c2cnccn2 269862a_100000697423_100000751083 [0,1,0,0,0,1|1,0,1]=4 951 B19R2.8898 C[C@@H](NCC(=O)N1CCOCC1)c2cnccn2 2230a_100020589798_100000183410 [0,1,0,0,0,1|1,0,1]=4 952 B19R2.8898 O=C(NCC(=O)C1CCOCC1)c2cccnc2 1458a_100000688122_100011324220 [0,1,0,0,0,1|2,0,0]=4 953 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2ccccc2 11a_100000697423_100000185807 [0,1,0,0,0,1|2,0,0]=4 954 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2ccccc2 11a_100015191051_100000182045 [0,1,0,0,0,1|2,0,0]=4 955 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2ccccc2 1626a_100000697423_100000185807 [0,1,0,0,0,1|2,0,0]=4 956 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2ccccc2 1626a_100015191051_100000182045 [0,1,0,0,0,1|2,0,0]=4 957 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2ccccc2 240690a_100000697423_100000185807 [0,1,0,0,0,1|2,0,0]=4 958 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2ccccc2 240690a_100015191051_100000182045 [0,1,0,0,0,1|2,0,0]=4 959 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2ccccc2 527a_100000697423_100000185807 [0,1,0,0,0,1|2,0,0]=4 960 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2ccccc2 527a_100015191051_100000182045 [0,1,0,0,0,1|2,0,0]=4 961 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2cccnc2 11a_100015191051_100000688122 [0,1,0,0,0,1|1,0,0]=3 962 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2cccnc2 240690a_100015191051_100000688122 [0,1,0,0,0,1|1,0,0]=3 963 B19R2.8898 O=C(NCC(=O)N1CCOCC1)c2cccnc2 527a_100015191051_100000688122 [0,1,0,0,0,1|1,0,0]=3 964 B19R2.8898 O=C(NCC(=O)N1CCSCC1)c2cccnc2 11a_100000737611_100000688122 [0,1,0,0,0,1|1,1,0]=4 965 B19R2.8898 O=C(NCC(=O)N1CCSCC1)c2cccnc2 240690a_100000737611_100000688122 [0,1,0,0,0,1|1,1,0]=4 966 B19R2.8898 O=C(NCC(=O)N1CCSCC1)c2cccnc2 527a_100000737611_100000688122 [0,1,0,0,0,1|1,1,0]=4 967 B19R2.49526 O=S(=O)(NCCN1CCOCC1)c2ccccn2 270084a_100000211067_100016994956 [0,1,0,0,0,1|2,0,0]=4 968 B19R2.49526 O=S(=O)(NCCN1CCOCC1)c2ccccn2 274078a_100000211067_100016994956 [0,1,0,0,0,1|2,0,0]=4 969 B19R2.49526 O=S(=O)(NCCN1CCOCC1)c2ccccn2 40a_100000211067_100000070048 [0,1,0,0,0,1|2,0,0]=4 970 B19R2.49526 O=S(=O)(NCCN1CCOCC1)c2cccnc2 270084a_100000211067_100000736704 [0,1,0,0,0,1|2,0,0]=4 971 B19R2.49526 O=S(=O)(NCCN1CCOCC1)c2cccnc2 274078a_100000211067_100000736704 [0,1,0,0,0,1|2,0,0]=4 972 B19R2.1033792 CC1(CCOCC1)C=NNC(=O)c2cnccn2 4a_100000189795_100000701351 [0,1,0,0,0,1|1,0,1]=4 973 B19R2.1033792 CC1(CCOCC1)CNCC(=O)c2ccccn2 34a_100000695556_100000027445 [0,1,0,0,0,1|2,0,0]=4 974 B19R2.1033792 O=C(CNCC1(CCOCC1)F)c2ccccn2 34a_100016991512_100000027445 [0,1,0,0,0,1|2,0,0]=4 975 B19R2.1033792 O=C(CNCC1(CCOCC1)O)c2ccccn2 34a_100000704115_100000027445 [0,1,0,0,0,1|2,0,0]=4 976 B19R2.4200 CC1CC(=NNC(=O)c2cnc(cn2)Cl)CCO1 4a_200012021860_100000755752 [0,2,0,0,0,0|2,0,0]=4 977 B19R2.4200 Cc1cnc(cn1)C(=O)NN=C2CCOC(C2)C 4a_100000189800_100000755752 [0,2,0,0,0,0|2,0,0]=4 978 B19R2.12067 CC1COCCC1=NNC(=O)c2cnc(cn2)Cl 4a_200012021860_100000755695 [0,2,0,0,0,0|2,0,0]=4 979 B19R2.12067 Cc1cnc(cn1)C(=O)NN=C2CCOCC2C 4a_100000189800_100000755695 [0,2,0,0,0,0|2,0,0]=4 980 B19R2.12067 Cc1cnc(cn1)C(=O)NN=C2CCOCC2F 4a_100000189800_100000117712 [0,2,0,0,0,0|2,0,0]=4 981 B19R2.12067 O=C(NN=C1CCOCC1F)c2cnc(cn2)Cl 4a_200012021860_100000117712 [0,2,0,0,0,0|2,0,0]=4 982 B19R2.3397 COC1COCCC1=NNC(=O)c2cnccn2 4a_100000189795_100000095984 [0,2,0,0,0,0|2,0,0]=4 983 B19R2.50154 Cc1nccnc1C(=O)NN=C2CCOCC2C 4a_100011104864_100000755695 [0,2,0,0,0,0|2,0,0]=4 984 B19R2.50154 Cc1nccnc1C(=O)NN=C2CCOCC2F 4a_100011104864_100000117712 [0,2,0,0,0,0|2,0,0]=4 985 B19R2.101351 Cc1nccnc1C(=O)NN=C2CCOC(C2)C 4a_100011104864_100000755752 [0,2,0,0,0,0|2,0,0]=4 986 B19R2.4101 CC1CC(=NNC(=O)c2cnccn2)CC(O1)C 4a_100000189795_200102525066 [0,2,0,0,0,0|2,0,0]=4 987 B19R2.444010 CC1(CC(=NNC(=O)c2cnccn2)CCO1)C 4a_100000189795_100000755756 [0,2,0,0,0,0|2,0,0]=4 988 B17R2.45544 O=C(NN=CC1CCOC1)c2cnccn2 4a_100000189795_100000239508 [0,0,1,1,0,0|2,0,0]=4 989 B17R3.67305 O=C(CN1CC2CC2C1)c3ccccn3 269982a_100000741873_100000027445 [0,0,0,1,1,0|2,0,0]=4 990 B17R3.67305 O=C(CN1CC2CC2C1)c3ccccn3 34a_100000741873_100000027445 [0,0,0,1,1,0|2,0,0]=4 991 B17R3.67305 O=C(CN1CC2CC2C1)c3cccnc3 269982a_100000741873_100000757877 [0,0,0,1,1,0|2,0,0]=4 992 B19R3.10800 O=C(Cc1cnccn1)C2CC23CCOCC3 1458a_100000766831_100016995436 [0,0,0,1,0,1|2,0,0]=4 993 B19R3.202343 O=C(Cc1cnccn1)N2CC3CCC2CC3 11a_100000750499_100000726051 [0,0,0,1,0,1|2,0,0]=4 994 B19R3.202343 O=C(Cc1cnccn1)N2CC3CCC2CC3 240690a_100000750499_100000726051 [0,0,0,1,0,1|2,0,0]=4 995 B19R3.202343 O=C(Cc1cnccn1)N2CC3CCC2CC3 527a_100000750499_100000726051 [0,0,0,1,0,1|2,0,0]=4 996 B19R3.9008 O=c1[nH]cc(c2c1nccn2)N3CCOCC3 27a_100015191051_100020993077 [0,0,0,1,0,1|0,0,1]=3 997 B19R3.9008 O=c1[nH]cc(c2c1nccn2)N3CCSCC3 27a_100000737611_100020993077 [0,0,0,1,0,1|0,1,1]=4 998 B19R3.9008 O=c1[nH]nc(c2c1cccn2)N3CCOCC3 27a_100015191051_200021304518 [0,0,0,1,0,1|1,0,1]=4 999 B19R3.9008 O=c1[nH]nc(c2c1nccc2)N3CCOCC3 27a_100015191051_100021647086 [0,0,0,1,0,1|1,0,1]=4 1000 B19R3.2370 c1cnc2c(csc2n1)NCC3CCOCC3 27a_100000746373_100010174841 [0,1,0,1,0,0|1,1,0]=4 1001 B19R3.2370 c1cnc2c(n[nH]c2n1)NCC3CCOCC3 27a_100000746373_100009819591 [0,1,0,1,0,0|2,0,0]=4 1002 B15R1.96 CCOCCNCCC(=O)c1cccs1 2230a_102516460346_100011290775 [0,0,1,0,1,0|2,0,0]=4 1003 B15R1.115 CCCCN(C)CC(=O)c1ccccn1 269982a_100000207549_100000027445 [0,0,1,0,1,0|2,0,0]=4 1004 B15R1.115 CCCCN(C)CC(=O)c1cccnc1 269982a_100000207549_100000757877 [0,0,1,0,1,0|2,0,0]=4 1005 B15R1.115 COCCN(C)CC(=O)c1ccccc1 269982a_100000743101_100000211460 [0,0,1,0,1,0|2,0,0]=4 1006 B15R1.115 COCCN(C)CC(=O)c1ccccn1 269982a_100000743101_100000027445 [0,0,1,0,1,0|1,0,0]=3 1007 B15R1.115 COCCN(C)CC(=O)c1cccnc1 269982a_100000743101_100000757877 [0,0,1,0,1,0|1,0,0]=3 1008 B15R1.115 CSCCN(C)CC(=O)c1ccccn1 269982a_100000686725_100000027445 [0,0,1,0,1,0|1,1,0]=4 1009 B15R1.115 CSCCN(C)CC(=O)c1cccnc1 269982a_100000686725_100000757877 [0,0,1,0,1,0|1,1,0]=4 1010 B15R1.593 COCCN(C)CCC(=O)c1cccs1 2230a_100000743101_100011290775 [0,0,1,0,1,0|2,0,0]=4 1011 B15R1.593 COCCN(C)CCC(=O)c1cccs1 269982a_100000743101_100011290775 [0,0,1,0,1,0|2,0,0]=4 1012 B15R1.549 CCCN(CC)CC(=O)c1ccccn1 269982a_100000226822_100000027445 [0,0,1,0,1,0|2,0,0]=4 1013 B15R1.549 CCCN(CC)CC(=O)c1cccnc1 269982a_100000226822_100000757877 [0,0,1,0,1,0|2,0,0]=4 1014 B15R1.549 CCN(CCO)CC(=O)c1ccccc1 269982a_100000210973_100000211460 [0,0,1,0,1,0|2,0,0]=4 1015 B15R1.549 CCN(CCO)CC(=O)c1ccccn1 269982a_100000210973_100000027445 [0,0,1,0,1,0|1,0,0]=3 1016 B15R1.549 CCN(CCO)CC(=O)c1cccnc1 269982a_100000210973_100000757877 [0,0,1,0,1,0|1,0,0]=3 1017 B15R1.1290 CCN(CCO)CCC(=O)c1cccs1 2230a_100000210973_100011290775 [0,0,1,0,1,0|2,0,0]=4 1018 B15R1.1290 CCN(CCO)CCC(=O)c1cccs1 269982a_100000210973_100011290775 [0,0,1,0,1,0|2,0,0]=4 1019 B15R2.2195 c1ccc(nc1)CCN2CCOCC2 2230a_100015191051_100015183660 [1,0,0,0,1,0|1,0,1]=4 1020 B15R2.2195 c1ccc(nc1)CCN2CCOCC2 269982a_100015191051_100015183660 [1,0,0,0,1,0|1,0,1]=4 1021 B15R2.2195 c1cnc(cn1)CNC2CCOCC2 2230a_100000741149_100016995436 [1,0,0,0,1,0|1,0,1]=4 1022 B15R2.2195 c1cnc(cn1)CNC2CCOCC2 270004a_100000741149_100000749867 [1,0,0,0,1,0|1,0,1]=4 1023 B15R2.2195 c1cnc(cn1)CNC2CCOCC2 34a_100000741149_100016995436 [1,0,0,0,1,0|1,0,1]=4 1024 B15R2.2195 c1cnc(cn1)NCC2CCCCC2 27a_100000210473_100000211759 [1,0,0,0,1,0|2,0,0]=4 1025 B15R2.2195 c1cnc(cn1)NCC2CCOCC2 27a_100000746373_100000211759 [1,0,0,0,1,0|1,0,0]=3 1026 B15R2.2195 c1cnc(cn1)NCC2CCSCC2 27a_100015188806_100000211759 [1,0,0,0,1,0|1,1,0]=4 1027 B15R2.2195 c1cnc(cn1)NN=C2CCOCC2 4a_100000736894_100011217826 [1,0,0,0,1,0|2,0,0]=4 1028 B15R2.2195 c1cnc(cn1)SCC2CCOCC2 62a_100000211759_100000749018 [1,0,0,0,1,0|2,0,0]=4 1029 B15R2.2195 c1cnc(cn1)SCC2CCOCC2 62a_100000754603_100000211759 [1,0,0,0,1,0|2,0,0]=4 1030 B15R2.2195 c1cncc(c1)CCN2CCOCC2 2230a_100015191051_200011713674 [1,0,0,0,1,0|1,0,1]=4 1031 B15R2.2195 c1cncc(c1)CCN2CCOCC2 269982a_100015191051_200011713674 [1,0,0,0,1,0|1,0,1]=4 1032 B15R2.2196 C(=Cc1ccco1)CN2CCOCC2 270004a_100015191051_100000185671 [1,0,0,0,1,0|2,0,0]=4 1033 B15R2.2196 C(=Cc1cnccn1)CC2CCCC2 271570a_200000069456_100000758340 [1,0,0,0,1,0|2,0,0]=4 1034 B15R2.2196 c1cnc(cn1)CNCC2CCCC2 2230a_100000737975_100016995436 [1,0,0,0,1,0|1,0,1]=4 1035 B15R2.2196 c1cnc(cn1)CNCC2CCCC2 270004a_100000737975_100000749867 [1,0,0,0,1,0|1,0,1]=4 1036 B15R2.2196 c1cnc(cn1)CNCC2CCCC2 34a_100000737975_100016995436 [1,0,0,0,1,0|1,0,1]=4 1037 B15R2.2196 c1cnc(cn1)CNCC2CCOC2 2230a_100000737293_100016995436 [1,0,0,0,1,0|1,0,1]=4 1038 B15R2.2196 c1cnc(cn1)CNCC2CCOC2 270004a_100000737293_100000749867 [1,0,0,0,1,0|1,0,1]=4 1039 B15R2.2196 c1cnc(cn1)CNCC2CCOC2 34a_100000737293_100016995436 [1,0,0,0,1,0|1,0,1]=4 1040 B15R2.2196 c1cnc(cn1)NCCN2CCCC2 27a_100000212299_100000211759 [1,0,0,0,1,0|2,0,0]=4 1041 B15R2.2196 c1cnc(cn1)SCCN2CCCC2 62a_100000211759_100000004467 [1,0,0,0,1,0|2,0,0]=4 1042 B15R2.2196 c1cnc(cn1)SCCN2CCCC2 62a_100000700749_100000211759 [1,0,0,0,1,0|2,0,0]=4 1043 B15R2.64 O=C(CN1CCOCC1)c2ccc[nH]2 269982a_100015191051_200011262396 [0,0,0,0,2,0|0,0,1]=3 1044 B15R2.64 O=C(CN1CCOCC1)c2ccco2 269982a_100015191051_100000211439 [0,0,0,0,2,0|1,0,0]=3 1045 B15R2.64 O=C(CN1CCOCC1)c2cccs2 2230a_100015191051_100000211436 [0,0,0,0,2,0|1,0,0]=3 1046 B15R2.64 O=C(CN1CCOCC1)c2cccs2 269982a_100015191051_100000211436 [0,0,0,0,2,0|1,0,0]=3 1047 B15R2.64 O=C(CN1CCOCC1)c2ccsc2 2230a_100015191051_100011219462 [0,0,0,0,2,0|1,0,0]=3 1048 B15R2.64 O=C(CN1CCOCC1)c2ccsc2 269982a_100015191051_100011219462 [0,0,0,0,2,0|1,0,0]=3 1049 B15R2.64 O=C(CN1CCOCC1)c2ccsc2 34a_100015191051_100011219462 [0,0,0,0,2,0|1,0,0]=3 1050 B15R2.64 O=C(CN1CCOCC1)c2nccs2 269982a_100015191051_100000718653 [0,0,0,0,2,0|1,0,0]=3 1051 B15R2.64 O=C(CN1CCOCC1)n2cccn2 2230a_100015191051_100000077511 [0,0,0,0,2,0|1,0,0]=3 1052 B15R2.64 O=C(CN1CCOCC1)n2cccn2 269982a_100015191051_100000077511 [0,0,0,0,2,0|1,0,0]=3 1053 B15R2.64 O=C(CN1CCSCC1)c2ccc[nH]2 269982a_100000737611_200011262396 [0,0,0,0,2,0|0,1,1]=4 1054 B15R2.64 O=C(CN1CCSCC1)c2ccco2 269982a_100000737611_100000211439 [0,0,0,0,2,0|1,1,0]=4 1055 B15R2.64 O=C(CN1CCSCC1)c2cccs2 2230a_100000737611_100000211436 [0,0,0,0,2,0|1,1,0]=4 1056 B15R2.64 O=C(CN1CCSCC1)c2cccs2 269982a_100000737611_100000211436 [0,0,0,0,2,0|1,1,0]=4 1057 B15R2.64 O=C(CN1CCSCC1)c2ccsc2 2230a_100000737611_100011219462 [0,0,0,0,2,0|1,1,0]=4 1058 B15R2.64 O=C(CN1CCSCC1)c2ccsc2 269982a_100000737611_100011219462 [0,0,0,0,2,0|1,1,0]=4 1059 B15R2.64 O=C(CN1CCSCC1)c2nccs2 269982a_100000737611_100000718653 [0,0,0,0,2,0|1,1,0]=4 1060 B15R2.64 O=C(CN1CCSCC1)n2cccn2 2230a_100000737611_100000077511 [0,0,0,0,2,0|1,1,0]=4 1061 B15R2.64 O=C(CN1CCSCC1)n2cccn2 269982a_100000737611_100000077511 [0,0,0,0,2,0|1,1,0]=4 1062 B15R2.1259 O=C(CN1CCCC1)c2ccccc2 269982a_100000188435_100000211460 [0,0,0,0,2,0|2,0,0]=4 1063 B15R2.1259 O=C(CN1CCCC1)c2ccccn2 269982a_100000188435_100000027445 [0,0,0,0,2,0|1,0,0]=3 1064 B15R2.1259 O=C(CN1CCCC1)c2cccnc2 269982a_100000188435_100000757877 [0,0,0,0,2,0|1,0,0]=3 1065 B15R2.1259 O=C(CN1CCSC1)c2ccccn2 269982a_100011215254_100000027445 [0,0,0,0,2,0|1,1,0]=4 1066 B15R2.1259 O=C(CN1CCSC1)c2cccnc2 269982a_100011215254_100000757877 [0,0,0,0,2,0|1,1,0]=4 1067 B15R2.2226 CC(c1cnccn1)N2CCOCC2 2230a_100015191051_200000703233 [0,0,0,0,2,0|1,0,1]=4 1068 B15R2.2226 CC(c1cnccn1)N2CCOCC2 269982a_100015191051_200000703233 [0,0,0,0,2,0|1,0,1]=4 1069 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 11a_100015191051_100000185807 [0,0,0,0,2,0|2,0,0]=4 1070 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 1626a_100015191051_100000185807 [0,0,0,0,2,0|2,0,0]=4 1071 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 240690a_100015191051_100000185807 [0,0,0,0,2,0|2,0,0]=4 1072 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 527a_100015191051_100000185807 [0,0,0,0,2,0|2,0,0]=4 1073 B15R2.3989 O=C(CCN1CCCC1)c2cccs2 2230a_100000188435_100011290775 [0,0,0,0,2,0|2,0,0]=4 1074 B15R2.3989 O=C(CCN1CCCC1)c2cccs2 269982a_100000188435_100011290775 [0,0,0,0,2,0|2,0,0]=4 1075 B15R2.16439 O=C(NN=C1CCC1)c2cnccn2 4a_100000189795_100000241760 [0,0,0,0,2,0|2,0,0]=4 1076 B15R2.16439 O=C(NN=C1COC1)c2cnccn2 4a_100000189795_100000058695 [0,0,0,0,2,0|2,0,0]=4 1077 B17R1.1292 CCCCCCCNC(=O)Cc1cnccn1 11a_100000229938_100000726051 [0,0,1,0,0,1|2,0,0]=4 1078 B17R1.1292 CCCCCCCNC(=O)Cc1cnccn1 240690a_100000229938_100000726051 [0,0,1,0,0,1|2,0,0]=4 1079 B17R1.1292 CCCCCCCNC(=O)Cc1cnccn1 527a_100000229938_100000726051 [0,0,1,0,0,1|2,0,0]=4 1080 B17R1.1292 CCOCCNCCC(=O)Nc1cccnc1 2230a_102516460346_200015187043 [0,0,1,0,0,1|2,0,0]=4 1081 B17R1.1292 CCOCCNCCC(=O)Nc1cccnc1 34a_100000748795_100000210147 [0,0,1,0,0,1|2,0,0]=4 1082 B17R1.1561 COCCN(C)CCC(=O)Cc1ccccn1 1458a_200103286627_100000721315 [0,0,1,0,0,1|2,0,0]=4 1083 B17R1.1561 COCCN(C)CCC(=O)Cc1cccnc1 1458a_200103286627_100000733263 [0,0,1,0,0,1|2,0,0]=4 1084 B17R1.1561 COCCN(C)CCC(=O)Cc1cnccn1 1458a_200103286627_100016995436 [0,0,1,0,0,1|1,0,0]=3 1085 B17R1.1561 COCCN(C)CCC(=O)Nc1cccnc1 2230a_100000743101_200015187043 [0,0,1,0,0,1|2,0,0]=4 1086 B17R1.1561 COCCN(C)CCC(=O)Nc1cccnc1 269982a_100000743101_200015187043 [0,0,1,0,0,1|2,0,0]=4 1087 B17R1.140 CCN(CCO)CCNC(=O)c1ccccc1 269982a_100000210973_200011215302 [0,0,1,0,0,1|2,0,0]=4 1088 B17R1.145 CCN(CCO)CCC(=O)Nc1cccnc1 2230a_100000210973_200015187043 [0,0,1,0,0,1|2,0,0]=4 1089 B17R1.145 CCN(CCO)CCC(=O)Nc1cccnc1 269982a_100000210973_200015187043 [0,0,1,0,0,1|2,0,0]=4 1090 B17R2.2382 C(=NNCC1CCCCC1)c2cnccn2 4a_100000740227_100000749867 [1,0,0,0,0,1|2,0,0]=4 1091 B17R2.2382 C(=NNCC1CCOCC1)c2ccccn2 4a_200000757053_100000209966 [1,0,0,0,0,1|2,0,0]=4 1092 B17R2.2382 C(=NNCC1CCOCC1)c2cccnc2 4a_200000757053_100000209961 [1,0,0,0,0,1|2,0,0]=4 1093 B17R2.2382 C(=NNCC1CCOCC1)c2cnccn2 4a_200000757053_100000749867 [1,0,0,0,0,1|1,0,0]=3 1094 B17R2.2382 c1ccc(nc1)CNCCN2CCOCC2 207a_100000211067_100000209966 [1,0,0,0,0,1|1,0,1]=4 1095 B17R2.2382 c1ccc(nc1)CNCCN2CCOCC2 270004a_100000211067_100000209966 [1,0,0,0,0,1|1,0,1]=4 1096 B17R2.2382 c1cnc(cn1)CCNCC2CCOCC2 269862a_100000723456_100000749017 [1,0,0,0,0,1|1,0,1]=4 1097 B17R2.2382 c1cnc(cn1)CNCCC2CCOCC2 2230a_100000755988_100016995436 [1,0,0,0,0,1|1,0,1]=4 1098 B17R2.2382 c1cnc(cn1)CNCCC2CCOCC2 270004a_100000755988_100000749867 [1,0,0,0,0,1|1,0,1]=4 1099 B17R2.2382 c1cnc(cn1)CNCCC2CCOCC2 34a_100000755988_100016995436 [1,0,0,0,0,1|1,0,1]=4 1100 B17R2.2382 c1cnc(cn1)CNCCN2CCCCC2 270004a_100000216509_100000749867 [1,0,0,0,0,1|1,0,1]=4 1101 B17R2.2382 c1cnc(cn1)CNCCN2CCOCC2 270004a_100000211067_100000749867 [1,0,0,0,0,1|0,0,1]=3 1102 B17R2.2382 c1cnc(cn1)CNCCN2CCSCC2 2230a_100000755026_100016995436 [1,0,0,0,0,1|0,1,1]=4 1103 B17R2.2382 c1cnc(cn1)CNCCN2CCSCC2 270004a_100000755026_100000749867 [1,0,0,0,0,1|0,1,1]=4 1104 B17R2.2382 c1cnc(cn1)CSCCN2CCOCC2 62a_100016995436_100000211760 [1,0,0,0,0,1|1,0,1]=4 1105 B17R2.2382 c1cnc(cn1)NCCCN2CCOCC2 27a_100000210481_100000211759 [1,0,0,0,0,1|1,0,1]=4 1106 B17R2.2382 c1cnc(cn1)SCCCN2CCOCC2 62a_100000211759_100000748698 [1,0,0,0,0,1|1,0,1]=4 1107 B17R2.2382 c1cncc(c1)CNCCN2CCOCC2 207a_100000211067_100000209961 [1,0,0,0,0,1|1,0,1]=4 1108 B17R2.2382 c1cncc(c1)CNCCN2CCOCC2 270004a_100000211067_100000209961 [1,0,0,0,0,1|1,0,1]=4 1109 B17R2.5714 O=C(CNCC1CCOCC1)c2cccs2 2230a_100000746373_100000211436 [0,0,0,0,1,1|2,0,0]=4 1110 B17R2.5714 O=C(CNCC1CCOCC1)c2ccsc2 2230a_100000746373_100011219462 [0,0,0,0,1,1|2,0,0]=4 1111 B17R2.5714 O=C(CNCC1CCOCC1)c2ccsc2 34a_100000746373_100011219462 [0,0,0,0,1,1|2,0,0]=4 1112 B17R2.5714 O=C(CNCC1CCOCC1)n2cccn2 2230a_100000746373_100000077511 [0,0,0,0,1,1|2,0,0]=4 1113 B17R2.5714 O=C(NCCN1CCOCC1)n2cccn2 2230a_100015191051_100000070358 [0,0,0,0,1,1|1,0,0]=3 1114 B17R2.5714 O=C(NCCN1CCOCC1)n2cccn2 269982a_100015191051_100000070358 [0,0,0,0,1,1|1,0,0]=3 1115 B17R2.5714 O=C(NCCN1CCSCC1)n2cccn2 2230a_100000737611_100000070358 [0,0,0,0,1,1|1,1,0]=4 1116 B17R2.5714 O=C(NCCN1CCSCC1)n2cccn2 269982a_100000737611_100000070358 [0,0,0,0,1,1|1,1,0]=4 1117 B17R2.45682 O=C(CCN1CCCOCC1)c2cccs2 2230a_100000685342_100011290775 [0,0,0,0,1,1|2,0,0]=4 1118 B17R2.45682 O=C(CCN1CCCOCC1)c2cccs2 269982a_100000685342_100011290775 [0,0,0,0,1,1|2,0,0]=4 1119 B17R2.8341 O=C(CCC1CCCC1)Cc2cnccn2 1458a_100000211120_100016995436 [0,0,0,0,1,1|2,0,0]=4 1120 B17R2.8341 O=C(CCN1CCCC1)Cc2ccccn2 1458a_100000233486_100000004467 [0,0,0,0,1,1|2,0,0]=4 1121 B17R2.8341 O=C(CCN1CCCC1)Cc2ccccn2 1458a_100000738983_100000721315 [0,0,0,0,1,1|2,0,0]=4 1122 B17R2.8341 O=C(CCN1CCCC1)Cc2cccnc2 1458a_100000737805_100000004467 [0,0,0,0,1,1|2,0,0]=4 1123 B17R2.8341 O=C(CCN1CCCC1)Cc2cccnc2 1458a_100000738983_100000733263 [0,0,0,0,1,1|2,0,0]=4 1124 B17R2.8341 O=C(CCN1CCCC1)Cc2cnccn2 1458a_100000738983_100016995436 [0,0,0,0,1,1|1,0,0]=3 1125 B17R2.8341 O=C(CCN1CCCC1)Nc2cccnc2 2230a_100000188435_200015187043 [0,0,0,0,1,1|2,0,0]=4 1126 B17R2.8341 O=C(CCN1CCCC1)Nc2cccnc2 269982a_100000188435_200015187043 [0,0,0,0,1,1|2,0,0]=4 1127 B17R2.8341 O=C(CCN1CCCO1)Cc2cnccn2 1458a_200015187630_100016995436 [0,0,0,0,1,1|2,0,0]=4 1128 B17R2.8341 O=C(Cc1ccccn1)NCC2CCCC2 11a_100000737975_100000233486 [0,0,0,0,1,1|2,0,0]=4 1129 B17R2.8341 O=C(Cc1ccccn1)NCC2CCOC2 11a_100000737293_100000233486 [0,0,0,0,1,1|2,0,0]=4 1130 B17R2.8341 O=C(Cc1cccnc1)NCC2CCCC2 11a_100000737975_100000737805 [0,0,0,0,1,1|2,0,0]=4 1131 B17R2.8341 O=C(Cc1cccnc1)NCC2CCCC2 240690a_100000737975_100000737805 [0,0,0,0,1,1|2,0,0]=4 1132 B17R2.8341 O=C(Cc1cccnc1)NCC2CCCC2 527a_100000737975_100000737805 [0,0,0,0,1,1|2,0,0]=4 1133 B17R2.8341 O=C(Cc1cccnc1)NCC2CCOC2 11a_100000737293_100000737805 [0,0,0,0,1,1|2,0,0]=4 1134 B17R2.8341 O=C(Cc1cccnc1)NCC2CCOC2 240690a_100000737293_100000737805 [0,0,0,0,1,1|2,0,0]=4 1135 B17R2.8341 O=C(Cc1cccnc1)NCC2CCOC2 527a_100000737293_100000737805 [0,0,0,0,1,1|2,0,0]=4 1136 B17R2.8341 O=C(Cc1cnccn1)NCC2CCCC2 11a_100000737975_100000726051 [0,0,0,0,1,1|1,0,0]=3 1137 B17R2.8341 O=C(Cc1cnccn1)NCC2CCCC2 240690a_100000737975_100000726051 [0,0,0,0,1,1|1,0,0]=3 1138 B17R2.8341 O=C(Cc1cnccn1)NCC2CCCC2 527a_100000737975_100000726051 [0,0,0,0,1,1|1,0,0]=3 1139 B17R2.8341 O=C(Cc1cnccn1)NCC2CCOC2 11a_100000737293_100000726051 [0,0,0,0,1,1|1,0,0]=3 1140 B17R2.8341 O=C(Cc1cnccn1)NCC2CCOC2 240690a_100000737293_100000726051 [0,0,0,0,1,1|1,0,0]=3 1141 B17R2.8341 O=C(Cc1cnccn1)NCC2CCOC2 527a_100000737293_100000726051 [0,0,0,0,1,1|1,0,0]=3 1142 B17R2.8341 O=C(Cc1cnccn1)NC[C@@H]2CCCO2 11a_100020590478_100000726051 [0,0,0,0,1,1|2,0,0]=4 1143 B17R2.8341 O=C(Cc1cnccn1)NC[C@@H]2CCCO2 240690a_100020590478_100000726051 [0,0,0,0,1,1|2,0,0]=4 1144 B17R2.8341 O=C(Cc1cnccn1)NC[C@@H]2CCCO2 527a_100020590478_100000726051 [0,0,0,0,1,1|2,0,0]=4 1145 B17R2.8341 O=C(Cc1cnccn1)NNC2CCCC2 22a_100000737850_100000726051 [0,0,0,0,1,1|2,0,0]=4 1146 B17R2.8341 O=C(Cc1cnccn1)NNC2CCOC2 22a_100000690549_100000726051 [0,0,0,0,1,1|2,0,0]=4 1147 B19R2.8900 CC(Cc1cnccn1)NCCN2CCOCC2 2230a_100011277835_100025781966 [0,0,0,0,0,2|1,0,1]=4 1148 B19R2.8900 CC(Cc1cnccn1)NCCN2CCOCC2 270004a_100000211067_100015184882 [0,0,0,0,0,2|1,0,1]=4 1149 B19R2.8900 O=C(C=CCN1CCCCC1)Cc2cnccn2 1458a_100015232380_100016995436 [0,0,0,0,0,2|2,0,0]=4 1150 B19R2.8900 O=C(C=CCN1CCOCC1)Cc2ccccn2 1458a_100134615786_100000721315 [0,0,0,0,0,2|2,0,0]=4 1151 B19R2.8900 O=C(C=CCN1CCOCC1)Cc2cccnc2 1458a_100134615786_100000733263 [0,0,0,0,0,2|2,0,0]=4 1152 B19R2.8900 O=C(C=CCN1CCOCC1)Cc2cnccn2 1458a_100134615786_100016995436 [0,0,0,0,0,2|1,0,0]=3 1153 B19R2.8900 O=C(CCCN1CCCCC1)Cc2cnccn2 1458a_100000742516_100016995436 [0,0,0,0,0,2|2,0,0]=4 1154 B19R2.8900 O=C(CCCN1CCOCC1)Cc2ccccn2 1458a_100000233486_100000748698 [0,0,0,0,0,2|2,0,0]=4 1155 B19R2.8900 O=C(CCCN1CCOCC1)Cc2cccnc2 1458a_100000737805_100000748698 [0,0,0,0,0,2|2,0,0]=4 1156 B19R2.8900 O=C(CNCC1CCOCC1)Nc2ccccn2 2230a_100000746373_100020662008 [0,0,0,0,0,2|2,0,0]=4 1157 B19R2.8900 O=C(Cc1ccccn1)NCCC2CCOCC2 11a_100000755988_100000233486 [0,0,0,0,0,2|2,0,0]=4 1158 B19R2.8900 O=C(Cc1ccccn1)NCCN2CCOCC2 11a_100000211067_100000233486 [0,0,0,0,0,2|1,0,0]=3 1159 B19R2.8900 O=C(Cc1ccccn1)NNCC2CCOCC2 22a_200000757053_100000233486 [0,0,0,0,0,2|2,0,0]=4 1160 B19R2.8900 O=C(Cc1cccnc1)NCCC2CCOCC2 11a_100000755988_100000737805 [0,0,0,0,0,2|2,0,0]=4 1161 B19R2.8900 O=C(Cc1cccnc1)NCCC2CCOCC2 240690a_100000755988_100000737805 [0,0,0,0,0,2|2,0,0]=4 1162 B19R2.8900 O=C(Cc1cccnc1)NCCC2CCOCC2 527a_100000755988_100000737805 [0,0,0,0,0,2|2,0,0]=4 1163 B19R2.8900 O=C(Cc1cccnc1)NCCN2CCCCC2 240690a_100000216509_100000737805 [0,0,0,0,0,2|2,0,0]=4 1164 B19R2.8900 O=C(Cc1cccnc1)NCCN2CCCCC2 527a_100000216509_100000737805 [0,0,0,0,0,2|2,0,0]=4 1165 B19R2.8900 O=C(Cc1cccnc1)NCCN2CCOCC2 11a_100000211067_100000737805 [0,0,0,0,0,2|1,0,0]=3 1166 B19R2.8900 O=C(Cc1cccnc1)NCCN2CCOCC2 240690a_100000211067_100000737805 [0,0,0,0,0,2|1,0,0]=3 1167 B19R2.8900 O=C(Cc1cccnc1)NCCN2CCOCC2 527a_100000211067_100000737805 [0,0,0,0,0,2|1,0,0]=3 1168 B19R2.8900 O=C(Cc1cccnc1)NCCN2CCSCC2 240690a_100000755026_100000737805 [0,0,0,0,0,2|1,1,0]=4 1169 B19R2.8900 O=C(Cc1cccnc1)NCCN2CCSCC2 527a_100000755026_100000737805 [0,0,0,0,0,2|1,1,0]=4 1170 B19R2.8900 O=C(Cc1cccnc1)NNCC2CCOCC2 22a_200000757053_100000737805 [0,0,0,0,0,2|2,0,0]=4 1171 B19R2.8900 O=C(Cc1cnccn1)NCCC2CCCCC2 11a_100000738074_100000726051 [0,0,0,0,0,2|2,0,0]=4 1172 B19R2.8900 O=C(Cc1cnccn1)NCCC2CCCCC2 240690a_100000738074_100000726051 [0,0,0,0,0,2|2,0,0]=4 1173 B19R2.8900 O=C(Cc1cnccn1)NCCC2CCCCC2 527a_100000738074_100000726051 [0,0,0,0,0,2|2,0,0]=4 1174 B19R2.8900 O=C(Cc1cnccn1)NCCC2CCOCC2 11a_100000755988_100000726051 [0,0,0,0,0,2|1,0,0]=3 1175 B19R2.8900 O=C(Cc1cnccn1)NCCC2CCOCC2 240690a_100000755988_100000726051 [0,0,0,0,0,2|1,0,0]=3 1176 B19R2.8900 O=C(Cc1cnccn1)NCCC2CCOCC2 527a_100000755988_100000726051 [0,0,0,0,0,2|1,0,0]=3 1177 B19R2.8900 O=C(Cc1cnccn1)NCCN2CCCCC2 240690a_100000216509_100000726051 [0,0,0,0,0,2|1,0,0]=3 1178 B19R2.8900 O=C(Cc1cnccn1)NCCN2CCCCC2 527a_100000216509_100000726051 [0,0,0,0,0,2|1,0,0]=3 1179 B19R2.8900 O=C(Cc1cnccn1)NCCN2CCOCC2 11a_100000211067_100000726051 [0,0,0,0,0,2|0,0,0]=2 1180 B19R2.8900 O=C(Cc1cnccn1)NCCN2CCOCC2 240690a_100000211067_100000726051 [0,0,0,0,0,2|0,0,0]=2 1181 B19R2.8900 O=C(Cc1cnccn1)NCCN2CCOCC2 527a_100000211067_100000726051 [0,0,0,0,0,2|0,0,0]=2 1182 B19R2.8900 O=C(Cc1cnccn1)NCCN2CCSCC2 240690a_100000755026_100000726051 [0,0,0,0,0,2|0,1,0]=3 1183 B19R2.8900 O=C(Cc1cnccn1)NCCN2CCSCC2 527a_100000755026_100000726051 [0,0,0,0,0,2|0,1,0]=3 1184 B19R2.8900 O=C(Cc1cnccn1)NNCC2CCCCC2 22a_100000740227_100000726051 [0,0,0,0,0,2|2,0,0]=4 1185 B19R2.8900 O=C(Cc1cnccn1)NNCC2CCOCC2 22a_200000757053_100000726051 [0,0,0,0,0,2|1,0,0]=3 1186 B19R2.8900 O=C(Cc1cncnc1)NCCN2CCOCC2 11a_100000211067_100000721575 [0,0,0,0,0,2|2,0,0]=4 1187 B19R2.8900 O=C(Cc1cncnc1)NCCN2CCOCC2 240690a_100000211067_100000721575 [0,0,0,0,0,2|2,0,0]=4 1188 B19R2.8900 O=C(Cc1cncnc1)NCCN2CCOCC2 527a_100000211067_100000721575 [0,0,0,0,0,2|2,0,0]=4 1189 B19R2.8900 O=C(NCCN1CCOCC1)Nc2ccccc2 2430a_100000106764_100000211067 [0,0,0,0,0,2|2,0,0]=4 1190 B19R2.16162 O=C(C#Cc1ccccn1)CCN2CCOCC2 1458a_102125277312_100000753993 [0,0,0,0,0,2|2,0,0]=4 1191 B19R2.16162 O=C(C=Cc1ccccn1)CCN2CCOCC2 1458a_100000740811_100000753993 [0,0,0,0,0,2|2,0,0]=4 1192 B19R2.16162 O=C(C=Cc1ccccn1)NCC2CCOCC2 11a_100000746373_100000740811 [0,0,0,0,0,2|2,0,0]=4 1193 B19R2.16162 O=C(C=Cc1ccccn1)NCC2CCOCC2 240690a_100000746373_100000740811 [0,0,0,0,0,2|2,0,0]=4 1194 B19R2.16162 O=C(C=Cc1cccnc1)CCN2CCOCC2 1458a_100000735890_100000753993 [0,0,0,0,0,2|2,0,0]=4 1195 B19R2.16162 O=C(C=Cc1cccnc1)NCC2CCOCC2 11a_100000746373_100000735890 [0,0,0,0,0,2|2,0,0]=4 1196 B19R2.16162 O=C(C=Cc1cccnc1)NCC2CCOCC2 240690a_100000746373_100000735890 [0,0,0,0,0,2|2,0,0]=4 1197 B19R2.16162 O=C(CCN1CCCCC1)NCc2cnccn2 240690a_100000737960_100000743487 [0,0,0,0,0,2|2,0,0]=4 1198 B19R2.16162 O=C(CCN1CCCCC1)NNc2cnccn2 22a_100000736894_100000743487 [0,0,0,0,0,2|2,0,0]=4 1199 B19R2.16162 O=C(CCN1CCOCC1)COc2ccccn2 1458a_100102699861_100000753993 [0,0,0,0,0,2|2,0,0]=4 1200 B19R2.16162 O=C(CCN1CCOCC1)COc2cccnc2 1458a_100015207166_100000753993 [0,0,0,0,0,2|2,0,0]=4 1201 B19R2.16162 O=C(CCN1CCOCC1)CSc2ccccn2 1458a_100000156281_100000753993 [0,0,0,0,0,2|2,0,0]=4 1202 B19R2.16162 O=C(CCN1CCOCC1)NCc2ccccn2 240690a_100000210449_100000749337 [0,0,0,0,0,2|2,0,0]=4 1203 B19R2.16162 O=C(CCN1CCOCC1)NCc2ccccn2 527a_100000210449_100000749337 [0,0,0,0,0,2|2,0,0]=4 1204 B19R2.16162 O=C(CCN1CCOCC1)NCc2cccnc2 240690a_100000210453_100000749337 [0,0,0,0,0,2|2,0,0]=4 1205 B19R2.16162 O=C(CCN1CCOCC1)NCc2cccnc2 527a_100000210453_100000749337 [0,0,0,0,0,2|2,0,0]=4 1206 B19R2.16162 O=C(CCN1CCOCC1)NCc2cnccn2 240690a_100000737960_100000749337 [0,0,0,0,0,2|1,0,0]=3 1207 B19R2.16162 O=C(CCN1CCOCC1)NCc2cnccn2 527a_100000737960_100000749337 [0,0,0,0,0,2|1,0,0]=3 1208 B19R2.16162 O=C(CCN1CCOCC1)NNc2ccccn2 22a_100000183288_100000749337 [0,0,0,0,0,2|2,0,0]=4 1209 B19R2.16162 O=C(CCN1CCOCC1)NNc2cccnc2 22a_100000728903_100000749337 [0,0,0,0,0,2|2,0,0]=4 1210 B19R2.16162 O=C(CCN1CCOCC1)NNc2cnccn2 22a_100000736894_100000749337 [0,0,0,0,0,2|1,0,0]=3 1211 B19R2.16162 O=C(CCc1ccccn1)CCN2CCOCC2 1458a_100000749337_100015183660 [0,0,0,0,0,2|2,0,0]=4 1212 B19R2.16162 O=C(CCc1ccccn1)CCN2CCOCC2 1458a_100015195070_100000753993 [0,0,0,0,0,2|2,0,0]=4 1213 B19R2.16162 O=C(CCc1ccccn1)NCC2CCOCC2 11a_100000746373_100015195070 [0,0,0,0,0,2|2,0,0]=4 1214 B19R2.16162 O=C(CCc1ccccn1)NCC2CCOCC2 240690a_100000746373_100015195070 [0,0,0,0,0,2|2,0,0]=4 1215 B19R2.16162 O=C(CCc1ccccn1)NCC2CCOCC2 527a_100000746373_100015195070 [0,0,0,0,0,2|2,0,0]=4 1216 B19R2.16162 O=C(CCc1cccnc1)CCN2CCOCC2 1458a_100000198484_100000753993 [0,0,0,0,0,2|2,0,0]=4 1217 B19R2.16162 O=C(CCc1cccnc1)CCN2CCOCC2 1458a_100000749337_200011713674 [0,0,0,0,0,2|2,0,0]=4 1218 B19R2.16162 O=C(CCc1cccnc1)NCC2CCOCC2 11a_100000746373_100000198484 [0,0,0,0,0,2|2,0,0]=4 1219 B19R2.16162 O=C(CCc1cccnc1)NCC2CCOCC2 1626a_100000746373_100000198484 [0,0,0,0,0,2|2,0,0]=4 1220 B19R2.16162 O=C(CCc1cccnc1)NCC2CCOCC2 240690a_100000746373_100000198484 [0,0,0,0,0,2|2,0,0]=4 1221 B19R2.16162 O=C(CCc1cccnc1)NCC2CCOCC2 527a_100000746373_100000198484 [0,0,0,0,0,2|2,0,0]=4 1222 B19R2.16162 O=C(COc1ccccn1)NCC2CCOCC2 1626a_100000746373_100102699861 [0,0,0,0,0,2|2,0,0]=4 1223 B19R2.16162 O=C(COc1ccccn1)NCC2CCOCC2 240690a_100000746373_100102699861 [0,0,0,0,0,2|2,0,0]=4 1224 B19R2.16162 O=C(COc1ccccn1)NCC2CCOCC2 527a_100000746373_100102699861 [0,0,0,0,0,2|2,0,0]=4 1225 B19R2.16162 O=C(COc1cccnc1)NCC2CCOCC2 11a_100000746373_100015207166 [0,0,0,0,0,2|2,0,0]=4 1226 B19R2.16162 O=C(COc1cccnc1)NCC2CCOCC2 1626a_100000746373_100015207166 [0,0,0,0,0,2|2,0,0]=4 1227 B19R2.16162 O=C(COc1cccnc1)NCC2CCOCC2 240690a_100000746373_100015207166 [0,0,0,0,0,2|2,0,0]=4 1228 B19R2.16162 O=C(COc1cccnc1)NCC2CCOCC2 527a_100000746373_100015207166 [0,0,0,0,0,2|2,0,0]=4 1229 B19R2.16162 O=C(CSc1ccccn1)NCC2CCOCC2 11a_100000746373_100000156281 [0,0,0,0,0,2|2,0,0]=4 1230 B19R2.16162 O=C(CSc1ccccn1)NCC2CCOCC2 240690a_100000746373_100000156281 [0,0,0,0,0,2|2,0,0]=4 1231 B19R2.16162 O=C(CSc1ccccn1)NCC2CCOCC2 527a_100000746373_100000156281 [0,0,0,0,0,2|2,0,0]=4 1232 B19R2.16162 O=C(CSc1cnccn1)NCC2CCCCC2 62a_100000183341_100000211759 [0,0,0,0,0,2|2,0,0]=4 1233 B19R2.16162 O=C(CSc1cnccn1)NCC2CCCCC2 62a_100000211759_100000183341 [0,0,0,0,0,2|2,0,0]=4 1234 B19R2.16162 O=C(NCC1CCCCC1)NNc2cnccn2 273464a_100000210473_100000736894 [0,0,0,0,0,2|2,0,0]=4 1235 B19R2.16162 O=C(NCC1CCOCC1)NNc2ccccn2 273464a_100000746373_100000183288 [0,0,0,0,0,2|2,0,0]=4 1236 B19R2.16162 O=C(NCC1CCOCC1)NNc2ccccn2 512a_100000746373_100000183288 [0,0,0,0,0,2|2,0,0]=4 1237 B19R2.16162 O=C(NCC1CCOCC1)NNc2cccnc2 273464a_100000746373_100000728903 [0,0,0,0,0,2|2,0,0]=4 1238 B19R2.16162 O=C(NCC1CCOCC1)NNc2cccnc2 512a_100000746373_100000728903 [0,0,0,0,0,2|2,0,0]=4 1239 B19R2.16162 O=C(NCC1CCOCC1)NNc2cnccn2 273464a_100000746373_100000736894 [0,0,0,0,0,2|1,0,0]=3 1240 B19R2.16162 O=C(NCC1CCOCC1)NNc2cnccn2 512a_100000746373_100000736894 [0,0,0,0,0,2|1,0,0]=3 1241 B19R2.16162 O=C(NCC1CCSCC1)NNc2cnccn2 273464a_100015188806_100000736894 [0,0,0,0,0,2|1,1,0]=4 1242 B19R2.16162 O=C(NCC1CCSCC1)NNc2cnccn2 512a_100015188806_100000736894 [0,0,0,0,0,2|1,1,0]=4 1243 B19R2.16162 O=C(NCc1ccccn1)NCC2CCOCC2 2708a_100000210449_100000746373 [0,0,0,0,0,2|2,0,0]=4 1244 B19R2.16162 O=C(NCc1ccccn1)NCC2CCOCC2 2708a_100000746373_100000210449 [0,0,0,0,0,2|2,0,0]=4 1245 B19R2.16162 O=C(NCc1ccccn1)NCC2CCOCC2 273464a_100000210449_100000746373 [0,0,0,0,0,2|2,0,0]=4 1246 B19R2.16162 O=C(NCc1ccccn1)NCC2CCOCC2 273464a_100000746373_100000210449 [0,0,0,0,0,2|2,0,0]=4 1247 B19R2.16162 O=C(NCc1ccccn1)NCC2CCOCC2 512a_100000746373_100000210449 [0,0,0,0,0,2|2,0,0]=4 1248 B19R2.16162 O=C(NCc1cccnc1)NCC2CCOCC2 2708a_100000210453_100000746373 [0,0,0,0,0,2|2,0,0]=4 1249 B19R2.16162 O=C(NCc1cccnc1)NCC2CCOCC2 2708a_100000746373_100000210453 [0,0,0,0,0,2|2,0,0]=4 1250 B19R2.16162 O=C(NCc1cccnc1)NCC2CCOCC2 273464a_100000210453_100000746373 [0,0,0,0,0,2|2,0,0]=4 1251 B19R2.16162 O=C(NCc1cccnc1)NCC2CCOCC2 273464a_100000746373_100000210453 [0,0,0,0,0,2|2,0,0]=4 1252 B19R2.16162 O=C(NCc1cccnc1)NCC2CCOCC2 512a_100000210453_100000746373 [0,0,0,0,0,2|2,0,0]=4 1253 B19R2.16162 O=C(NCc1cccnc1)NCC2CCOCC2 512a_100000746373_100000210453 [0,0,0,0,0,2|2,0,0]=4 1254 B19R2.16162 O=C(NCc1cnccn1)NCC2CCCCC2 2708a_100000210473_100000737960 [0,0,0,0,0,2|2,0,0]=4 1255 B19R2.16162 O=C(NCc1cnccn1)NCC2CCCCC2 2708a_100000737960_100000210473 [0,0,0,0,0,2|2,0,0]=4 1256 B19R2.16162 O=C(NCc1cnccn1)NCC2CCCCC2 273464a_100000210473_100000737960 [0,0,0,0,0,2|2,0,0]=4 1257 B19R2.16162 O=C(NCc1cnccn1)NCC2CCCCC2 273464a_100000737960_100000210473 [0,0,0,0,0,2|2,0,0]=4 1258 B19R2.16162 O=C(NCc1cnccn1)NCC2CCCCC2 512a_100000737960_100000210473 [0,0,0,0,0,2|2,0,0]=4 1259 B19R2.16162 O=C(NCc1cnccn1)NCC2CCOCC2 2708a_100000737960_100000746373 [0,0,0,0,0,2|1,0,0]=3 1260 B19R2.16162 O=C(NCc1cnccn1)NCC2CCOCC2 2708a_100000746373_100000737960 [0,0,0,0,0,2|1,0,0]=3 1261 B19R2.16162 O=C(NCc1cnccn1)NCC2CCOCC2 273464a_100000737960_100000746373 [0,0,0,0,0,2|1,0,0]=3 1262 B19R2.16162 O=C(NCc1cnccn1)NCC2CCOCC2 273464a_100000746373_100000737960 [0,0,0,0,0,2|1,0,0]=3 1263 B19R2.16162 O=C(NCc1cnccn1)NCC2CCOCC2 512a_100000737960_100000746373 [0,0,0,0,0,2|1,0,0]=3 1264 B19R2.16162 O=C(NCc1cnccn1)NCC2CCOCC2 512a_100000746373_100000737960 [0,0,0,0,0,2|1,0,0]=3 1265 B19R2.16162 O=C(NCc1cnccn1)NCC2CCSCC2 2708a_100000737960_100015188806 [0,0,0,0,0,2|1,1,0]=4 1266 B19R2.16162 O=C(NCc1cnccn1)NCC2CCSCC2 2708a_100015188806_100000737960 [0,0,0,0,0,2|1,1,0]=4 1267 B19R2.16162 O=C(NCc1cnccn1)NCC2CCSCC2 273464a_100000737960_100015188806 [0,0,0,0,0,2|1,1,0]=4 1268 B19R2.16162 O=C(NCc1cnccn1)NCC2CCSCC2 273464a_100015188806_100000737960 [0,0,0,0,0,2|1,1,0]=4 1269 B19R2.16162 O=C(NCc1cnccn1)NCC2CCSCC2 512a_100000737960_100015188806 [0,0,0,0,0,2|1,1,0]=4 1270 B19R2.16162 O=C(NCc1cnccn1)NCC2CCSCC2 512a_100015188806_100000737960 [0,0,0,0,0,2|1,1,0]=4 1271 B19R2.16162 O=C(NCc1cnccn1)NNC2CCOCC2 273464a_100000737960_100000687383 [0,0,0,0,0,2|2,0,0]=4 1272 B19R2.16162 O=C(NCc1cnccn1)NNC2CCOCC2 512a_100000687383_100000737960 [0,0,0,0,0,2|2,0,0]=4 1273 B19R2.16162 O=C(NCc1cnccn1)NNC2CCOCC2 512a_100000737960_100000687383 [0,0,0,0,0,2|2,0,0]=4 1274 B19R2.16162 O=C(NNc1cnccn1)NNC2CCOCC2 512a_100000687383_100000736894 [0,0,0,0,0,2|2,0,0]=4 1275 B19R2.114046 O=C(CCN1CCCCCC1)Cc2cnccn2 1458a_100000740320_100016995436 [0,0,0,0,0,2|2,0,0]=4 1276 B19R2.114046 O=C(CCN1CCCOCC1)Nc2cccnc2 2230a_100000685342_200015187043 [0,0,0,0,0,2|2,0,0]=4 1277 B19R2.114046 O=C(CCN1CCCOCC1)Nc2cccnc2 269982a_100000685342_200015187043 [0,0,0,0,0,2|2,0,0]=4 1278 B19R2.114046 O=C(Cc1cnccn1)NCC2CCCCCC2 11a_100015204231_100000726051 [0,0,0,0,0,2|2,0,0]=4 1279 B19R2.114046 O=C(Cc1cnccn1)NCC2CCCCCC2 240690a_100015204231_100000726051 [0,0,0,0,0,2|2,0,0]=4 1280 B19R2.114046 O=C(Cc1cnccn1)NCC2CCCCCC2 527a_100015204231_100000726051 [0,0,0,0,0,2|2,0,0]=4 1281 B19R2.8899 CC(=NNCCN1CCCCC1)c2cnccn2 4a_100000739400_100000751083 [0,0,0,0,0,2|2,0,0]=4 1282 B19R2.8899 CC(=NNCCN1CCOCC1)c2ccccn2 4a_100000739544_100000210467 [0,0,0,0,0,2|2,0,0]=4 1283 B19R2.8899 CC(=NNCCN1CCOCC1)c2cccnc2 4a_100000739544_100000210468 [0,0,0,0,0,2|2,0,0]=4 1284 B19R2.8899 CC(=NNCCN1CCOCC1)c2cnccn2 4a_100000739544_100000751083 [0,0,0,0,0,2|1,0,0]=3 1285 B19R2.8899 CC(NCCCN1CCOCC1)c2cnccn2 269862a_100000210481_100000751083 [0,0,0,0,0,2|1,0,1]=4 1286 B19R2.8899 C[C@@H](NCCCN1CCOCC1)c2cnccn2 2230a_100020589798_100000748698 [0,0,0,0,0,2|1,0,1]=4 1287 B19R2.8899 O=C(CNCCC1CCOCC1)c2ccccn2 34a_100000755988_100000027445 [0,0,0,0,0,2|2,0,0]=4 1288 B19R2.8899 O=C(CSCCN1CCOCC1)c2ccccn2 62a_100000027445_100000211760 [0,0,0,0,0,2|2,0,0]=4 1289 B19R2.8899 O=C(CSCCN1CCOCC1)c2cccnc2 62a_100000757877_100000211760 [0,0,0,0,0,2|2,0,0]=4 1290 B19R2.8899 O=C(NCCCN1CCOCC1)c2ccccc2 240690a_100000210481_100000185807 [0,0,0,0,0,2|2,0,0]=4 1291 B19R2.8899 O=C(NCCCN1CCOCC1)c2ccccc2 527a_100000210481_100000185807 [0,0,0,0,0,2|2,0,0]=4 1292 B19R2.8899 O=C(NCCNC1CCCCC1)c2cnccn2 270004a_100025772789_100000210434 [0,0,0,0,0,2|2,0,0]=4 1293 B19R2.8899 O=C(NCCNC1CCNCC1)c2cnccn2 270004a_100025772789_100015192401 [0,0,0,0,0,2|2,0,0]=4 1294 B19R2.8899 O=C(NCCNC1CCOCC1)c2cnccn2 270004a_100025772789_100011217826 [0,0,0,0,0,2|1,0,0]=3 1295 B19R2.8899 O=C(NCCNC1CCSCC1)c2cnccn2 270004a_100025772789_100000203788 [0,0,0,0,0,2|1,1,0]=4 1296 B19R2.8899 O=C(NN=CCC1CCCCC1)c2cnccn2 4a_100000189795_100011713444 [0,0,0,0,0,2|2,0,0]=4 1297 B19R2.8899 O=C(NN=CCC1CCOCC1)c2ccccn2 4a_100000184044_100000708758 [0,0,0,0,0,2|2,0,0]=4 1298 B19R2.8899 O=C(NN=CCC1CCOCC1)c2cccnc2 4a_100000189771_100000708758 [0,0,0,0,0,2|2,0,0]=4 1299 B19R2.8899 O=C(NN=CCC1CCOCC1)c2cnccn2 4a_100000189795_100000708758 [0,0,0,0,0,2|1,0,0]=3 1300 B19R2.8899 O=C(NNCCN1CCOCC1)c2ccccc2 22a_100000739544_100000185807 [0,0,0,0,0,2|2,0,0]=4 1301 B19R2.113743 O=C(NCCN1CCCOCC1)c2ccccc2 269982a_100000685342_200011215302 [0,0,0,0,0,2|2,0,0]=4