0 B22R3.12627361 C#CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000688953 [0,0,0,0,0,0|2,0,2]=4 1 B22R3.12627361 C/C=C/COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100102629194 [0,0,0,0,0,0|2,0,2]=4 2 B22R3.12627361 C=CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000754431 [0,0,0,0,0,0|2,0,2]=4 3 B22R3.12627361 CC#CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000748600 [0,0,0,0,0,0|2,0,2]=4 4 B22R3.12627361 CC=CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000070051 [0,0,0,0,0,0|2,0,2]=4 5 B22R3.12627361 COCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000233755 [0,0,0,0,0,0|2,0,1]=3 6 B22R3.12627361 CSCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000212216 [0,0,0,0,0,0|2,0,1]=3 7 B22R3.12627361 FCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011934791 [0,0,0,0,0,0|3,0,1]=4 8 B22R3.12627361 N#CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000184422 [0,0,0,0,0,0|3,0,1]=4 9 B22R3.12627361 OCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011215043 [0,0,0,0,0,0|3,0,1]=4 10 B23R3.21774393 COCC(C)OC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000765312 [0,1,0,0,0,0|2,0,1]=4 11 B23R3.24909647 CCC(O)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011218378 [0,1,0,0,0,0|2,0,1]=4 12 B23R3.24909647 CNC(=O)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000183359 [0,1,0,0,0,0|1,0,2]=4 13 B23R3.25657126 CCOCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011215890 [0,1,0,0,0,0|2,0,1]=4 14 B23R3.25657126 COCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000740836 [0,1,0,0,0,0|1,0,2]=4 15 B23R3.25657126 OCCCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210776 [0,1,0,0,0,0|2,0,1]=4 16 B23R3.26139327 CC(=O)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000053229 [0,1,0,0,0,0|2,0,1]=4 17 B23R3.26139327 CC(O)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100012276601 [0,1,0,0,0,0|2,0,1]=4 18 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200000210301 [0,1,0,0,0,0|0,0,2]=3 19 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200000210301 [0,1,0,0,0,0|0,0,2]=3 20 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200000210301 [0,1,0,0,0,0|0,0,2]=3 21 B23R3.26139327 CN(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000755713 [0,1,0,0,0,0|1,0,1]=3 22 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200025704644 [0,1,0,0,0,0|0,0,2]=3 23 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200025704644 [0,1,0,0,0,0|0,0,2]=3 24 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200025704644 [0,1,0,0,0,0|0,0,2]=3 25 B23R3.32306063 CNCCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_106832991635_200020598663 [0,1,0,0,0,0|1,0,2]=4 26 B23R3.32306063 CNCCC(=O)N1c2ccccc2CCc3c1cccc3 7a_106832991635_200020598663 [0,1,0,0,0,0|1,0,2]=4 27 B21R2.14087 CNCCCOc1ccccc1C=Cc2ccccc2 271570a_100102527694_100015186278 [0,0,1,0,0,0|1,0,1]=3 28 B21R2.14087 CNCCCOc1ccccc1C=Cc2cccnc2 271570a_100102525586_100015186278 [0,0,1,0,0,0|2,0,1]=4 29 B23R4.1541467 C1=Cc2ccccc2C(c3c1cccc3)OCC4CC4 7a_100000036585_100000742324 [0,0,0,1,0,0|2,0,1]=4 30 B23R4.1541467 C1=Cc2ccccc2C(c3c1cccc3)OCC4CO4 7a_100000036585_102125554688 [0,0,0,1,0,0|2,0,1]=4 31 B23R4.1541467 C1=Cc2ccccc2C(c3c1cccc3)OCC4CS4 7a_100000036585_100000031435 [0,0,0,1,0,0|2,0,1]=4 32 B23R4.1541467 C1=Cc2ccccc2C(c3c1cccc3)OC[C@@H]4CO4 7a_100000036585_100000745022 [0,0,0,1,0,0|2,0,1]=4 33 B23R4.1541468 C1=Cc2ccccc2C(c3c1cccc3)OC4COC4 7a_100000036585_100009818527 [0,0,0,1,0,0|2,0,1]=4 34 B22R2.1877 CCCCNC(=O)c1ccccc1C=Cc2ccccc2 271570a_100102527694_200000154865 [0,1,1,0,0,0|2,0,0]=4 35 B22R2.8832 CNCCCOc1ccccc1C=Cc2cccc(c2)C 271570a_200135466880_100015186278 [0,1,1,0,0,0|1,0,1]=4 36 B22R2.8832 CNCCCOc1ccccc1C=Cc2cccc(c2)Cl 271570a_100102525933_100015186278 [0,1,1,0,0,0|1,0,1]=4 37 B22R2.8832 CNCCCOc1ccccc1C=Cc2cccc(c2)F 271570a_100102525537_100015186278 [0,1,1,0,0,0|1,0,1]=4 38 B22R2.16649 CNCCCOc1ccccc1C=Cc2ccc(cc2)Br 271570a_100102527914_100015186278 [0,1,1,0,0,0|1,0,1]=4 39 B22R2.16649 CNCCCOc1ccccc1C=Cc2ccc(cc2)C 271570a_100102527916_100015186278 [0,1,1,0,0,0|1,0,1]=4 40 B22R2.16649 CNCCCOc1ccccc1C=Cc2ccc(cc2)Cl 271570a_100102527930_100015186278 [0,1,1,0,0,0|1,0,1]=4 41 B22R2.16649 CNCCCOc1ccccc1C=Cc2ccc(cc2)F 271570a_100102525539_100015186278 [0,1,1,0,0,0|1,0,1]=4 42 B22R2.191292 CNCCCOc1ccccc1C=Cc2ccccc2F 271570a_200102527919_100015186278 [0,1,1,0,0,0|1,0,1]=4 43 B22R3.12307660 CC(C)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000210760 [1,1,0,0,0,0|1,0,1]=4 44 B22R3.12307660 CC(O)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100011218427 [1,1,0,0,0,0|1,0,1]=4 45 B22R3.12307660 C[C@@H](O)COC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100009817552 [1,1,0,0,0,0|1,0,1]=4 46 B22R3.2033379 C#CCCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000753159 [0,1,0,0,1,0|1,0,1]=4 47 B22R3.2033379 CC#CCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000748600 [0,1,0,0,1,0|1,0,1]=4 48 B22R3.2033379 CCCNC(=O)c1c2ccccc2cc3c1cccc3 11a_100020643023_100000610644 [0,1,0,0,1,0|2,0,0]=4 49 B22R3.2033379 CCCNC(=O)c1c2ccccc2cc3c1cccc3 1626a_100020643023_100000610644 [0,1,0,0,1,0|2,0,0]=4 50 B22R3.2033379 CCCNC(=O)c1c2ccccc2cc3c1cccc3 240690a_100020643023_100000610644 [0,1,0,0,1,0|2,0,0]=4 51 B22R3.2033379 CNCCC(=O)N1c2ccccc2Sc3c1cccc3 2230a_106832991635_200015341630 [0,1,0,0,1,0|2,0,0]=4 52 B22R3.2033379 CNCCC(=O)N1c2ccccc2Sc3c1cccc3 7a_106832991635_200015341630 [0,1,0,0,1,0|2,0,0]=4 53 B22R3.2033379 COCCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000233755 [0,1,0,0,1,0|1,0,0]=3 54 B22R3.2033379 CSCCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100000751147 [0,1,0,0,1,0|1,0,0]=3 55 B22R3.2033379 N#CCCC(=O)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100011215226 [0,1,0,0,1,0|2,0,0]=4 56 B22R3.2033379 O=C(CCCF)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100011934791 [0,1,0,0,1,0|2,0,0]=4 57 B22R3.2033379 O=C(CCCO)c1c2ccccc2cc3c1cccc3 1458a_100000610644_100011215043 [0,1,0,0,1,0|2,0,0]=4 58 B22R3.13749479 COCC(C)Nc1c2ccccc2cc3c1cccc3 34a_100009882017_100000765312 [0,1,0,0,1,0|2,0,0]=4 59 B22R3.15498781 CCC(O)CNc1c2ccccc2cc3c1cccc3 34a_100009882017_100011218378 [0,1,0,0,1,0|2,0,0]=4 60 B22R3.15498781 CCC(O)CSc1c2ccccc2cc3c1cccc3 62a_100011218378_100000185772 [0,1,0,0,1,0|2,0,0]=4 61 B22R3.15498781 CNC(=O)C=Cc1c2ccccc2cc3c1cccc3 11a_106832991635_100016998482 [0,1,0,0,1,0|0,0,2]=4 62 B22R3.15498781 CNC(=O)C=Cc1c2ccccc2cc3c1cccc3 240690a_100102657272_100016998482 [0,1,0,0,1,0|0,0,2]=4 63 B22R3.15498781 CNC(=O)CCc1c2ccccc2cc3c1cccc3 11a_106832991635_100000136548 [0,1,0,0,1,0|0,0,2]=4 64 B22R3.15498781 CNC(=O)CCc1c2ccccc2cc3c1cccc3 1626a_100102657272_100000136548 [0,1,0,0,1,0|0,0,2]=4 65 B22R3.15498781 CNC(=O)CCc1c2ccccc2cc3c1cccc3 240690a_100102657272_100000136548 [0,1,0,0,1,0|0,0,2]=4 66 B22R3.15498781 CNC(=O)CCc1c2ccccc2cc3c1cccc3 527a_100102657272_100000136548 [0,1,0,0,1,0|0,0,2]=4 67 B22R3.15498781 CNC(=O)CNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000183359 [0,1,0,0,1,0|1,0,1]=4 68 B22R3.15498781 CNC(=O)CSc1c2ccccc2cc3c1cccc3 62a_100000183359_100000185772 [0,1,0,0,1,0|1,0,1]=4 69 B22R3.15927150 CCCCNCc1c2ccccc2cc3c1cccc3 207a_100000102301_100000261405 [0,1,0,0,1,0|1,0,1]=4 70 B22R3.15927150 CCCCNCc1c2ccccc2cc3c1cccc3 2230a_100000102301_100009992879 [0,1,0,0,1,0|1,0,1]=4 71 B22R3.15927150 CCCCNCc1c2ccccc2cc3c1cccc3 270004a_100000102301_100000261405 [0,1,0,0,1,0|1,0,1]=4 72 B22R3.15927150 CCCCNCc1c2ccccc2cc3c1cccc3 7a_106832991798_100009992879 [0,1,0,0,1,0|1,0,1]=4 73 B22R3.15927150 CCCNN=Cc1c2ccccc2cc3c1cccc3 4a_100000740057_100000261405 [0,1,0,0,1,0|2,0,0]=4 74 B22R3.15927150 CCOCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000210147 [0,1,0,0,1,0|2,0,0]=4 75 B22R3.15927150 COCCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100000740836 [0,1,0,0,1,0|1,0,1]=4 76 B22R3.15927150 COCCNCc1c2ccccc2cc3c1cccc3 207a_100000209980_100000261405 [0,1,0,0,1,0|1,0,1]=4 77 B22R3.15927150 COCCNCc1c2ccccc2cc3c1cccc3 2230a_100000209980_100009992879 [0,1,0,0,1,0|1,0,1]=4 78 B22R3.15927150 COCCNCc1c2ccccc2cc3c1cccc3 270004a_100000209980_100000261405 [0,1,0,0,1,0|1,0,1]=4 79 B22R3.15927150 COCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100011201679 [0,1,0,0,1,0|1,0,1]=4 80 B22R3.15927150 COCCOCc1c2ccccc2cc3c1cccc3 34a_100000210237_100009992879 [0,1,0,0,1,0|1,0,1]=4 81 B22R3.15927150 COCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000233755 [0,1,0,0,1,0|1,0,1]=4 82 B22R3.15927150 COCCSCc1c2ccccc2cc3c1cccc3 62a_100000233755_100009992879 [0,1,0,0,1,0|1,0,1]=4 83 B22R3.15927150 COCCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000233755 [0,1,0,0,1,0|1,0,1]=4 84 B22R3.15927150 CSCCNCc1c2ccccc2cc3c1cccc3 207a_100020590264_100000261405 [0,1,0,0,1,0|1,0,1]=4 85 B22R3.15927150 CSCCNCc1c2ccccc2cc3c1cccc3 2230a_100020590264_100009992879 [0,1,0,0,1,0|1,0,1]=4 86 B22R3.15927150 CSCCNCc1c2ccccc2cc3c1cccc3 270004a_100020590264_100000261405 [0,1,0,0,1,0|1,0,1]=4 87 B22R3.15927150 CSCCOCc1c2ccccc2cc3c1cccc3 34a_100000025838_100000212216 [0,1,0,0,1,0|1,0,1]=4 88 B22R3.15927150 CSCCOCc1c2ccccc2cc3c1cccc3 34a_100000230434_100009992879 [0,1,0,0,1,0|1,0,1]=4 89 B22R3.15927150 CSCCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000212216 [0,1,0,0,1,0|1,0,1]=4 90 B22R3.15927150 CSCCOCc1c2ccccc2cc3c1cccc3 7a_100000230434_100009992879 [0,1,0,0,1,0|1,0,1]=4 91 B22R3.15927150 OCCCCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100011216708 [0,1,0,0,1,0|2,0,0]=4 92 B22R3.15927150 OCCCCSc1c2ccccc2cc3c1cccc3 62a_100000210776_100000185772 [0,1,0,0,1,0|2,0,0]=4 93 B22R3.16182945 CC(O)CCNc1c2ccccc2cc3c1cccc3 34a_100009882017_100012276601 [0,1,0,0,1,0|2,0,0]=4 94 B22R3.16182945 CC(O)CCSc1c2ccccc2cc3c1cccc3 62a_100012276601_100000185772 [0,1,0,0,1,0|2,0,0]=4 95 B22R3.16182945 CN(C)CCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000755713 [0,1,0,0,1,0|2,0,0]=4 96 B24R3.28516359 CC(=O)NCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000189650 [0,2,0,0,0,0|1,0,1]=4 97 B24R3.28516359 CN(C)CCCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000757444 [0,2,0,0,0,0|0,0,2]=4 98 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000210202 [0,2,0,0,0,0|0,0,2]=4 99 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000204670 [0,2,0,0,0,0|0,0,2]=4 100 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000210202 [0,2,0,0,0,0|0,0,2]=4 101 B24R3.40764905 CN(CF)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100015361967 [0,2,0,0,0,0|0,0,2]=4 102 B24R3.40764905 CN(CF)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100015361967 [0,2,0,0,0,0|0,0,2]=4 103 B24R3.40764905 CNC(=O)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000737683 [0,2,0,0,0,0|1,0,1]=4 104 B22R3.3704 C(=Cc1ccccc1C2CNCCN2)c3ccccc3 271570a_100102527694_200010178367 [0,0,1,1,0,0|1,0,1]=4 105 B22R2.8833 CNCCCOc1ccccc1C=CCc2ccccc2 271570a_200016263579_100015186278 [0,0,1,0,0,1|1,0,1]=4