0 B15R2.1428 C#CCSC1CC(=O)c2c1cccc2 62a_100000038162_100010208147 [0,0,0,0,0,0|2,0,2]=4 1 B15R2.1428 C#CCSC1OC(=O)c2c1cccc2 62a_100000038162_100009813457 [0,0,0,0,0,0|1,0,2]=3 2 B15R2.1428 C=CCNC1CC(=O)c2c1cccc2 2230a_100020586998_100010208147 [0,0,0,0,0,0|2,0,2]=4 3 B15R2.1428 C=CCNC1OC(=O)c2c1cccc2 2230a_100020586998_100009813457 [0,0,0,0,0,0|1,0,2]=3 4 B15R2.1428 C=CCSC1CC(=O)c2c1cccc2 62a_100000210623_100010208147 [0,0,0,0,0,0|2,0,2]=4 5 B15R2.1428 C=CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210623 [0,0,0,0,0,0|2,0,2]=4 6 B15R2.1428 C=CCSC1OC(=O)c2c1cccc2 62a_100000210623_100009813457 [0,0,0,0,0,0|1,0,2]=3 7 B15R2.1428 CCCCc1nn(c2c1cccc2)C 271570a_100020621405_100009817141 [0,0,0,0,0,0|3,0,1]=4 8 B15R2.1428 CCCNC1CC(c2c1cccc2)C 269862a_100020643023_100000750356 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.1428 CCCSC1CC(=O)c2c1cccc2 62a_100000210303_100010208147 [0,0,0,0,0,0|2,0,0]=2 10 B15R2.1428 CCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210303 [0,0,0,0,0,0|2,0,0]=2 11 B15R2.1428 CCCSC1OC(=O)c2c1cccc2 62a_100000210303_100009813457 [0,0,0,0,0,0|1,0,0]=1 12 B15R2.1428 COCSC1CC(=O)c2c1cccc2 62a_100000766300_100010208147 [0,0,0,0,0,0|3,0,0]=3 13 B15R2.1428 COCSC1CC(=O)c2c1cccc2 62a_100010208147_100000766300 [0,0,0,0,0,0|3,0,0]=3 14 B15R2.1428 COCSC1OC(=O)c2c1cccc2 62a_100000766300_100009813457 [0,0,0,0,0,0|2,0,0]=2 15 B15R2.1428 CSCSC1CC(=O)c2c1cccc2 62a_100010208147_100011218213 [0,0,0,0,0,0|3,0,0]=3 16 B15R2.1428 CSCSC1CC(=O)c2c1cccc2 62a_100011218213_100010208147 [0,0,0,0,0,0|3,0,0]=3 17 B15R2.1428 CSCSC1OC(=O)c2c1cccc2 62a_100011218213_100009813457 [0,0,0,0,0,0|2,0,0]=2 18 B15R2.1428 N#CCSC1CC(=O)c2c1cccc2 62a_100010208147_100011215382 [0,0,0,0,0,0|3,0,1]=4 19 B15R2.1428 N#CCSC1CC(=O)c2c1cccc2 62a_100011215382_100010208147 [0,0,0,0,0,0|3,0,1]=4 20 B15R2.1428 N#CCSC1OC(=O)c2c1cccc2 62a_100011215382_100009813457 [0,0,0,0,0,0|2,0,1]=3 21 B15R2.1428 O=C1CC(c2c1cccc2)NCCO 2230a_100016997473_100010208147 [0,0,0,0,0,0|3,0,0]=3 22 B15R2.1428 O=C1CC(c2c1cccc2)SCCF 62a_100010208147_100011217306 [0,0,0,0,0,0|3,0,0]=3 23 B15R2.1428 O=C1CC(c2c1cccc2)SCCF 62a_100011217306_100010208147 [0,0,0,0,0,0|3,0,0]=3 24 B15R2.1428 O=C1CC(c2c1cccc2)SCCO 62a_100000211926_100010208147 [0,0,0,0,0,0|3,0,0]=3 25 B15R2.1428 O=C1CC(c2c1cccc2)SCCO 62a_100010208147_100000211926 [0,0,0,0,0,0|3,0,0]=3 26 B15R2.1428 O=C1OC(c2c1cccc2)NCCO 2230a_100016997473_100009813457 [0,0,0,0,0,0|2,0,0]=2 27 B15R2.1428 O=C1OC(c2c1cccc2)SCCF 62a_100011217306_100009813457 [0,0,0,0,0,0|2,0,0]=2 28 B15R2.1428 O=C1OC(c2c1cccc2)SCCO 62a_100000211926_100009813457 [0,0,0,0,0,0|2,0,0]=2 29 B15R2.1428 O=CCSC1CC(=O)c2c1cccc2 62a_100010208147_200015260668 [0,0,0,0,0,0|3,0,1]=4 30 B15R2.1428 O=CCSC1CC(=O)c2c1cccc2 62a_200015260668_100010208147 [0,0,0,0,0,0|3,0,1]=4 31 B15R2.1428 O=CCSC1OC(=O)c2c1cccc2 62a_200015260668_100009813457 [0,0,0,0,0,0|2,0,1]=3 32 B14R2.3 CCCCc1coc2c1cccc2 271570a_100020621405_100009812202 [1,0,0,0,0,0|2,0,1]=4 33 B14R2.3 CCCCc1csc2c1cccc2 271570a_100020621405_100009813928 [1,0,0,0,0,0|2,0,1]=4 34 B14R2.3 CCCCc1n[nH]c2c1cccc2 271570a_100020621405_100000050141 [1,0,0,0,0,0|2,0,1]=4 35 B14R2.3 CCCCc1ncn2c1cccc2 271570a_100020621405_100000688344 [1,0,0,0,0,0|2,0,1]=4 36 B14R2.3 CCCNC1CCc2c1cccc2 269862a_100020643023_100000212051 [1,0,0,0,0,0|2,0,1]=4 37 B14R2.3 CCCNC1COc2c1cccc2 2230a_100000747519_100000210303 [1,0,0,0,0,0|3,0,0]=4 38 B14R2.3 CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210303 [1,0,0,0,0,0|2,0,1]=4 39 B14R2.3 CCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210303 [1,0,0,0,0,0|2,0,1]=4 40 B14R2.3 CCCOC1CCc2c1cccc2 34a_100000212247_100000210303 [1,0,0,0,0,0|2,0,1]=4 41 B14R2.3 CCCOC1CCc2c1cccc2 7a_100000212247_100000210303 [1,0,0,0,0,0|2,0,1]=4 42 B14R2.3 CCCSC1CCc2c1cccc2 62a_100000210303_200000721974 [1,0,0,0,0,0|2,0,1]=4 43 B14R2.3 CCNCC1CCc2c1cccc2 2230a_100020632452_100000210202 [1,0,0,0,0,0|2,0,1]=4 44 B14R2.3 CCNCC1CCc2c1cccc2 34a_100020632452_100000210202 [1,0,0,0,0,0|2,0,1]=4 45 B14R2.3 COCCn1ccc2c1cccc2 34a_100011926976_200000210301 [1,0,0,0,0,0|3,0,0]=4 46 B14R2.3 [13CH3]OCCn1ccc2c1cccc2 34a_100011926976_200025704644 [1,0,0,0,0,0|3,0,0]=4 47 B14R2.510 CCNC1CC(=O)c2c1cccc2 2230a_100015525214_100010208147 [1,0,0,0,0,0|2,0,0]=3 48 B14R2.510 CCNC1OC(=O)c2c1cccc2 2230a_100015525214_100009813457 [1,0,0,0,0,0|1,0,0]=2 49 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100000210202_100010208147 [1,0,0,0,0,0|2,0,0]=3 50 B14R2.510 CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210202 [1,0,0,0,0,0|2,0,0]=3 51 B14R2.510 CCSC1OC(=O)c2c1cccc2 62a_100000210202_100009813457 [1,0,0,0,0,0|1,0,0]=2 52 B14R2.510 O=C1CC(c2c1cccc2)SCF 62a_100010208147_100015361967 [1,0,0,0,0,0|3,0,0]=4 53 B14R2.510 O=C1CC(c2c1cccc2)SCF 62a_100015361967_100010208147 [1,0,0,0,0,0|3,0,0]=4 54 B14R2.510 O=C1OC(c2c1cccc2)SCF 62a_100015361967_100009813457 [1,0,0,0,0,0|2,0,0]=3 55 B16R2.6329 C#CCCSC1CC(=O)c2c1cccc2 62a_100000688953_100010208147 [0,1,0,0,0,0|1,0,2]=4 56 B16R2.6329 C#CCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000688953 [0,1,0,0,0,0|1,0,2]=4 57 B16R2.6329 C#CCCSC1OC(=O)c2c1cccc2 62a_100000688953_100009813457 [0,1,0,0,0,0|0,0,2]=3 58 B16R2.6329 C/C=C/CSC1CC(=O)c2c1cccc2 62a_100010208147_100102629194 [0,1,0,0,0,0|1,0,2]=4 59 B16R2.6329 C/C=C/CSC1CC(=O)c2c1cccc2 62a_100102629194_100010208147 [0,1,0,0,0,0|1,0,2]=4 60 B16R2.6329 C/C=C/CSC1OC(=O)c2c1cccc2 62a_100102629194_100009813457 [0,1,0,0,0,0|0,0,2]=3 61 B16R2.6329 C=CCCNC1CC(=O)c2c1cccc2 2230a_100015191253_100010208147 [0,1,0,0,0,0|1,0,2]=4 62 B16R2.6329 C=CCCNC1OC(=O)c2c1cccc2 2230a_100015191253_100009813457 [0,1,0,0,0,0|0,0,2]=3 63 B16R2.6329 C=CCCSC1CC(=O)c2c1cccc2 62a_100000754431_100010208147 [0,1,0,0,0,0|1,0,2]=4 64 B16R2.6329 C=CCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000754431 [0,1,0,0,0,0|1,0,2]=4 65 B16R2.6329 C=CCCSC1OC(=O)c2c1cccc2 62a_100000754431_100009813457 [0,1,0,0,0,0|0,0,2]=3 66 B16R2.6329 CC#CCNC1CC(=O)c2c1cccc2 2230a_100000685387_100010208147 [0,1,0,0,0,0|1,0,2]=4 67 B16R2.6329 CC#CCNC1OC(=O)c2c1cccc2 2230a_100000685387_100009813457 [0,1,0,0,0,0|0,0,2]=3 68 B16R2.6329 CC#CCSC1CC(=O)c2c1cccc2 62a_100000748600_100010208147 [0,1,0,0,0,0|1,0,2]=4 69 B16R2.6329 CC#CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000748600 [0,1,0,0,0,0|1,0,2]=4 70 B16R2.6329 CC#CCSC1OC(=O)c2c1cccc2 62a_100000748600_100009813457 [0,1,0,0,0,0|0,0,2]=3 71 B16R2.6329 CC=CCSC1CC(=O)c2c1cccc2 62a_100000070051_100010208147 [0,1,0,0,0,0|1,0,2]=4 72 B16R2.6329 CC=CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000070051 [0,1,0,0,0,0|1,0,2]=4 73 B16R2.6329 CC=CCSC1OC(=O)c2c1cccc2 62a_100000070051_100009813457 [0,1,0,0,0,0|0,0,2]=3 74 B16R2.6329 CCCCNC1CC(=O)c2c1cccc2 2230a_100000102301_100010208147 [0,1,0,0,0,0|1,0,0]=2 75 B16R2.6329 CCCCNC1CC(=O)c2c1cccc2 7a_106832991798_100010208147 [0,1,0,0,0,0|1,0,0]=2 76 B16R2.6329 CCCCNC1CC(c2c1cccc2)C 269862a_100000102301_100000750356 [0,1,0,0,0,0|2,0,1]=4 77 B16R2.6329 CCCCNC1OC(=O)c2c1cccc2 2230a_100000102301_100009813457 [0,1,0,0,0,0|0,0,0]=1 78 B16R2.6329 CCCCOC1CC(=O)c2c1cccc2 7a_100000210227_100010208147 [0,1,0,0,0,0|1,0,0]=2 79 B16R2.6329 CCCCSC1CC(=O)c2c1cccc2 62a_100000210211_100010208147 [0,1,0,0,0,0|1,0,0]=2 80 B16R2.6329 CCCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210210 [0,1,0,0,0,0|1,0,0]=2 81 B16R2.6329 CCCCSC1OC(=O)c2c1cccc2 62a_100000210211_100009813457 [0,1,0,0,0,0|0,0,0]=1 82 B16R2.6329 CCOCSC1CC(=O)c2c1cccc2 62a_100000739092_100010208147 [0,1,0,0,0,0|2,0,0]=3 83 B16R2.6329 CCOCSC1CC(=O)c2c1cccc2 62a_100010208147_100000739092 [0,1,0,0,0,0|2,0,0]=3 84 B16R2.6329 CCOCSC1OC(=O)c2c1cccc2 62a_100000739092_100009813457 [0,1,0,0,0,0|1,0,0]=2 85 B16R2.6329 COCCNC1CC(=O)c2c1cccc2 2230a_100000209980_100010208147 [0,1,0,0,0,0|2,0,0]=3 86 B16R2.6329 COCCNC1OC(=O)c2c1cccc2 2230a_100000209980_100009813457 [0,1,0,0,0,0|1,0,0]=2 87 B16R2.6329 COCCSC1CC(=O)c2c1cccc2 62a_100000233755_100010208147 [0,1,0,0,0,0|2,0,0]=3 88 B16R2.6329 COCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000233755 [0,1,0,0,0,0|2,0,0]=3 89 B16R2.6329 COCCSC1OC(=O)c2c1cccc2 62a_100000233755_100009813457 [0,1,0,0,0,0|1,0,0]=2 90 B16R2.6329 CSCCNC1CC(=O)c2c1cccc2 2230a_100020590264_100010208147 [0,1,0,0,0,0|2,0,0]=3 91 B16R2.6329 CSCCNC1OC(=O)c2c1cccc2 2230a_100020590264_100009813457 [0,1,0,0,0,0|1,0,0]=2 92 B16R2.6329 CSCCOC1CC(=O)c2c1cccc2 7a_100000230434_100010208147 [0,1,0,0,0,0|2,0,0]=3 93 B16R2.6329 CSCCSC1CC(=O)c2c1cccc2 62a_100000212216_100010208147 [0,1,0,0,0,0|2,0,0]=3 94 B16R2.6329 CSCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000751147 [0,1,0,0,0,0|2,0,0]=3 95 B16R2.6329 CSCCSC1OC(=O)c2c1cccc2 62a_100000212216_100009813457 [0,1,0,0,0,0|1,0,0]=2 96 B16R2.6329 N#CCCSC1CC(=O)c2c1cccc2 62a_100010208147_100011215226 [0,1,0,0,0,0|2,0,1]=4 97 B16R2.6329 N#CCCSC1CC(=O)c2c1cccc2 62a_100011215226_100010208147 [0,1,0,0,0,0|2,0,1]=4 98 B16R2.6329 N#CCCSC1OC(=O)c2c1cccc2 62a_100011215226_100009813457 [0,1,0,0,0,0|1,0,1]=3 99 B16R2.6329 N#CSCSC1OC(=O)c2c1cccc2 62a_100000211825_100009813457 [0,1,0,0,0,0|2,0,1]=4 100 B16R2.6329 O=C1CC(c2c1cccc2)NCCCF 2230a_100015189416_100010208147 [0,1,0,0,0,0|2,0,0]=3 101 B16R2.6329 O=C1CC(c2c1cccc2)SCCCF 62a_100010208147_100011934791 [0,1,0,0,0,0|2,0,0]=3 102 B16R2.6329 O=C1CC(c2c1cccc2)SCCCF 62a_100011934791_100010208147 [0,1,0,0,0,0|2,0,0]=3 103 B16R2.6329 O=C1CC(c2c1cccc2)SCCCO 62a_100010208147_100011215043 [0,1,0,0,0,0|2,0,0]=3 104 B16R2.6329 O=C1CC(c2c1cccc2)SCCCO 62a_100011215043_100010208147 [0,1,0,0,0,0|2,0,0]=3 105 B16R2.6329 O=C1OC(c2c1cccc2)NCCCF 2230a_100015189416_100009813457 [0,1,0,0,0,0|1,0,0]=2 106 B16R2.6329 O=C1OC(c2c1cccc2)SCCCF 62a_100011934791_100009813457 [0,1,0,0,0,0|1,0,0]=2 107 B16R2.6329 O=C1OC(c2c1cccc2)SCCCO 62a_100011215043_100009813457 [0,1,0,0,0,0|1,0,0]=2 108 B16R2.33556 C#CC(C)NC1OC(=O)c2c1cccc2 2230a_100000707721_100009813457 [0,1,0,0,0,0|1,0,2]=4 109 B16R2.33556 C#CC(C)SC1OC(=O)c2c1cccc2 62a_200000035995_100009813457 [0,1,0,0,0,0|1,0,2]=4 110 B16R2.33556 C=CC(C)SC1OC(=O)c2c1cccc2 62a_100011215867_100009813457 [0,1,0,0,0,0|1,0,2]=4 111 B16R2.33556 CC(C#N)NC1OC(=O)c2c1cccc2 2230a_100000737613_100009813457 [0,1,0,0,0,0|2,0,1]=4 112 B16R2.33556 CC(C#N)SC1OC(=O)c2c1cccc2 62a_100000703298_100009813457 [0,1,0,0,0,0|2,0,1]=4 113 B16R2.33556 CC(CF)OC1CC(=O)c2c1cccc2 7a_100016041109_100010208147 [0,1,0,0,0,0|3,0,0]=4 114 B16R2.33556 CC(CO)SC1CC(=O)c2c1cccc2 62a_100012180447_100010208147 [0,1,0,0,0,0|3,0,0]=4 115 B16R2.33556 CC(CO)SC1OC(=O)c2c1cccc2 62a_100012180447_100009813457 [0,1,0,0,0,0|2,0,0]=3 116 B16R2.33556 CCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210202 [0,1,0,0,0,0|0,0,3]=4 117 B16R2.33556 CCC(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_100000210202 [0,1,0,0,0,0|1,0,1]=3 118 B16R2.33556 CCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210202 [0,1,0,0,0,0|0,0,1]=2 119 B16R2.33556 CCC(=O)NC1NC(=O)c2c1cccc2 1626a_100016086272_100000210414 [0,1,0,0,0,0|2,0,1]=4 120 B16R2.33556 CCC(=O)NC1NC(=O)c2c1cccc2 240690a_100016086272_100000210414 [0,1,0,0,0,0|2,0,1]=4 121 B16R2.33556 CCC(=O)NC1NC(=O)c2c1cccc2 527a_100016086272_100000210414 [0,1,0,0,0,0|2,0,1]=4 122 B16R2.33556 CCC(C)NC1CC(=O)c2c1cccc2 2230a_100000209981_100010208147 [0,1,0,0,0,0|2,0,0]=3 123 B16R2.33556 CCC(C)NC1OC(=O)c2c1cccc2 2230a_100000209981_100009813457 [0,1,0,0,0,0|1,0,0]=2 124 B16R2.33556 CCC(C)OC1CC(=O)c2c1cccc2 7a_100000210228_100010208147 [0,1,0,0,0,0|2,0,0]=3 125 B16R2.33556 CCC(C)SC1CC(=O)c2c1cccc2 62a_100000758301_100010208147 [0,1,0,0,0,0|2,0,0]=3 126 B16R2.33556 CCC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000758301 [0,1,0,0,0,0|2,0,0]=3 127 B16R2.33556 CCC(C)SC1OC(=O)c2c1cccc2 62a_100000758301_100009813457 [0,1,0,0,0,0|1,0,0]=2 128 B16R2.33556 CNC(=O)CC1NC(=O)c2c1cccc2 11a_106832991635_100000066322 [0,1,0,0,0,0|2,0,1]=4 129 B16R2.33556 CNC(=O)CC1NC(=O)c2c1cccc2 1626a_100102657272_100000066322 [0,1,0,0,0,0|2,0,1]=4 130 B16R2.33556 CNC(=O)CC1NC(=O)c2c1cccc2 240690a_100102657272_100000066322 [0,1,0,0,0,0|2,0,1]=4 131 B16R2.33556 CNC(=O)CC1NC(=O)c2c1cccc2 527a_100102657272_100000066322 [0,1,0,0,0,0|2,0,1]=4 132 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 11a_106832991635_100000185305 [0,1,0,0,0,0|1,0,1]=3 133 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 1626a_100102657272_100000185305 [0,1,0,0,0,0|1,0,1]=3 134 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 240690a_100102657272_100000185305 [0,1,0,0,0,0|1,0,1]=3 135 B16R2.33556 CNC(=O)CC1OC(=O)c2c1cccc2 527a_100102657272_100000185305 [0,1,0,0,0,0|1,0,1]=3 136 B16R2.33556 COC(C)SC1CC(=O)c2c1cccc2 62a_100009879195_100010208147 [0,1,0,0,0,0|3,0,0]=4 137 B16R2.33556 COC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100009879195 [0,1,0,0,0,0|3,0,0]=4 138 B16R2.33556 COC(C)SC1OC(=O)c2c1cccc2 62a_100009879195_100009813457 [0,1,0,0,0,0|2,0,0]=3 139 B16R2.33556 C[C@H](CO)NC1CC(=O)c2c1cccc2 2230a_100000737577_100010208147 [0,1,0,0,0,0|3,0,0]=4 140 B16R2.33556 C[C@H](CO)NC1OC(=O)c2c1cccc2 2230a_100000737577_100009813457 [0,1,0,0,0,0|2,0,0]=3 141 B16R2.33556 C[C@H](CO)SC1CC(=O)c2c1cccc2 62a_100010208147_100016084084 [0,1,0,0,0,0|3,0,0]=4 142 B16R2.33556 C[C@H](CO)SC1CC(=O)c2c1cccc2 62a_100016084084_100010208147 [0,1,0,0,0,0|3,0,0]=4 143 B16R2.33556 C[C@H](CO)SC1OC(=O)c2c1cccc2 62a_100016084084_100009813457 [0,1,0,0,0,0|2,0,0]=3 144 B16R2.33556 N#CC(F)SC1OC(=O)c2c1cccc2 62a_200000117898_100009813457 [0,1,0,0,0,0|2,0,1]=4 145 B16R2.33556 O=C(CF)CC1NC(=O)c2c1cccc2 1458a_100000066322_100015361967 [0,1,0,0,0,0|2,0,1]=4 146 B16R2.33556 O=C(CF)CC1OC(=O)c2c1cccc2 1458a_100000185305_100015361967 [0,1,0,0,0,0|1,0,1]=3 147 B16R2.104522 C=C(C)CSC1CC(=O)c2c1cccc2 62a_100000748629_100010208147 [0,1,0,0,0,0|2,0,1]=4 148 B16R2.104522 C=C(C)CSC1CC(=O)c2c1cccc2 62a_100010208147_100000211660 [0,1,0,0,0,0|2,0,1]=4 149 B16R2.104522 C=C(C)CSC1OC(=O)c2c1cccc2 62a_100000748629_100009813457 [0,1,0,0,0,0|1,0,1]=3 150 B16R2.104522 C=C(F)CSC1OC(=O)c2c1cccc2 62a_100000042424_100009813457 [0,1,0,0,0,0|1,0,2]=4 151 B16R2.104522 CC(C)CNC1CC(=O)c2c1cccc2 2230a_100000210953_100010208147 [0,1,0,0,0,0|2,0,0]=3 152 B16R2.104522 CC(C)CNC1OC(=O)c2c1cccc2 2230a_100000210953_100009813457 [0,1,0,0,0,0|1,0,0]=2 153 B16R2.104522 CC(C)CSC1CC(=O)c2c1cccc2 62a_100000210624_100010208147 [0,1,0,0,0,0|2,0,0]=3 154 B16R2.104522 CC(C)CSC1CC(=O)c2c1cccc2 62a_100010208147_100000210760 [0,1,0,0,0,0|2,0,0]=3 155 B16R2.104522 CC(C)CSC1OC(=O)c2c1cccc2 62a_100000210624_100009813457 [0,1,0,0,0,0|1,0,0]=2 156 B16R2.104522 CC(O)CNC1CC(=O)c2c1cccc2 2230a_100000210904_100010208147 [0,1,0,0,0,0|2,0,0]=3 157 B16R2.104522 CC(O)CNC1OC(=O)c2c1cccc2 2230a_100000210904_100009813457 [0,1,0,0,0,0|1,0,0]=2 158 B16R2.104522 CC(O)CSC1CC(=O)c2c1cccc2 62a_100010208147_100011218427 [0,1,0,0,0,0|2,0,0]=3 159 B16R2.104522 CC(O)CSC1CC(=O)c2c1cccc2 62a_100011218427_100010208147 [0,1,0,0,0,0|2,0,0]=3 160 B16R2.104522 CC(O)CSC1OC(=O)c2c1cccc2 62a_100011218427_100009813457 [0,1,0,0,0,0|1,0,0]=2 161 B16R2.104522 C[C@@H](O)CSC1CC(=O)c2c1cccc2 62a_100009817552_100010208147 [0,1,0,0,0,0|2,0,0]=3 162 B16R2.104522 C[C@@H](O)CSC1CC(=O)c2c1cccc2 62a_100010208147_100009817552 [0,1,0,0,0,0|2,0,0]=3 163 B16R2.104522 C[C@@H](O)CSC1OC(=O)c2c1cccc2 62a_100009817552_100009813457 [0,1,0,0,0,0|1,0,0]=2 164 B16R2.104522 NC(=O)CNC1OC(=O)c2c1cccc2 2230a_100000711301_100009813457 [0,1,0,0,0,0|2,0,1]=4 165 B16R2.104522 NC(=O)CSC1OC(=O)c2c1cccc2 62a_100000747473_100009813457 [0,1,0,0,0,0|2,0,1]=4 166 B16R2.104522 O=C(O)CNC1OC(=O)c2c1cccc2 269956a_100016091260_100009813457 [0,1,0,0,0,0|2,0,1]=4 167 B16R2.104522 O=C([O-])CSC1OC(=O)c2c1cccc2 62a_100020667443_100009813457 [0,1,0,0,0,0|2,0,1]=4 168 B16R2.104522 O=C1CC(c2c1cccc2)SCC(F)F 62a_100010208147_100011934356 [0,1,0,0,0,0|3,0,0]=4 169 B16R2.104522 O=C1CC(c2c1cccc2)SCC(F)F 62a_100011934356_100010208147 [0,1,0,0,0,0|3,0,0]=4 170 B16R2.104522 O=C1OC(c2c1cccc2)SCC(F)F 62a_100011934356_100009813457 [0,1,0,0,0,0|2,0,0]=3 171 B16R2.154585 C#CCN(C)C1OC(=O)c2c1cccc2 2230a_100000225692_100009813457 [0,1,0,0,0,0|1,0,2]=4 172 B16R2.154585 C=CCN(C)C1OC(=O)c2c1cccc2 2230a_100000225617_100009813457 [0,1,0,0,0,0|1,0,2]=4 173 B16R2.154585 C=CCN(C)C1OC(=O)c2c1cccc2 269982a_100000225617_100009813457 [0,1,0,0,0,0|1,0,2]=4 174 B16R2.154585 CCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000211992_100010208147 [0,1,0,0,0,0|1,0,1]=3 175 B16R2.154585 CCCN(C)C1CC(=O)c2c1cccc2 2230a_100000747261_100010208147 [0,1,0,0,0,0|2,0,0]=3 176 B16R2.154585 CCCN(C)C1CC(=O)c2c1cccc2 269982a_100000747261_100010208147 [0,1,0,0,0,0|2,0,0]=3 177 B16R2.154585 CCCN(C)C1OC(=O)c2c1cccc2 2230a_100000747261_100009813457 [0,1,0,0,0,0|1,0,0]=2 178 B16R2.154585 CCCN(C)C1OC(=O)c2c1cccc2 269982a_100000747261_100009813457 [0,1,0,0,0,0|1,0,0]=2 179 B16R2.154585 CN(CC#N)C1OC(=O)c2c1cccc2 2230a_100000748184_100009813457 [0,1,0,0,0,0|2,0,1]=4 180 B16R2.154585 CN(CCO)C1CC(=O)c2c1cccc2 2230a_100000210263_100010208147 [0,1,0,0,0,0|3,0,0]=4 181 B16R2.154585 CN(CCO)C1CC(=O)c2c1cccc2 269982a_100000210263_100010208147 [0,1,0,0,0,0|3,0,0]=4 182 B16R2.154585 CN(CCO)C1OC(=O)c2c1cccc2 2230a_100000210263_100009813457 [0,1,0,0,0,0|2,0,0]=3 183 B16R2.154585 CN(CCO)C1OC(=O)c2c1cccc2 269982a_100000210263_100009813457 [0,1,0,0,0,0|2,0,0]=3 184 B16R2.154585 COCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210968_100010208147 [0,1,0,0,0,0|2,0,1]=4 185 B16R2.154585 CSCC(=O)C1CC(=O)c2c1cccc2 1458a_100000184570_100010208147 [0,1,0,0,0,0|2,0,1]=4 186 B16R2.154585 O=C1CC(c2c1cccc2)C(=O)CCO 1458a_100011216618_100010208147 [0,1,0,0,0,0|2,0,1]=4 187 B14R1.38 C#CCCCCC(=O)c1ccccc1 1458a_100000185807_100010269958 [0,0,1,0,0,0|1,0,2]=4 188 B14R1.38 C#CCCCNC(=O)c1ccccc1 11a_100000718082_100000185807 [0,0,1,0,0,0|1,0,2]=4 189 B14R1.38 C#CCCCNC(=O)c1ccccc1 1626a_100000718082_100000185807 [0,0,1,0,0,0|1,0,2]=4 190 B14R1.38 C#CCCCNC(=O)c1ccccc1 240690a_100000718082_100000185807 [0,0,1,0,0,0|1,0,2]=4 191 B14R1.38 C#CCCCNC(=O)c1ccccc1 527a_100000718082_100000185807 [0,0,1,0,0,0|1,0,2]=4 192 B14R1.38 C#CCSCOC(=O)c1ccccc1 62a_100000038162_100000073877 [0,0,1,0,0,0|1,0,2]=4 193 B14R1.38 C=CCCCCC(=O)c1ccccc1 1458a_100000185807_100011215482 [0,0,1,0,0,0|1,0,2]=4 194 B14R1.38 C=CCCCNC(=O)c1ccccc1 11a_100000700776_100000185807 [0,0,1,0,0,0|1,0,2]=4 195 B14R1.38 C=CCCCNC(=O)c1ccccc1 1626a_100000700776_100000185807 [0,0,1,0,0,0|1,0,2]=4 196 B14R1.38 C=CCCCNC(=O)c1ccccc1 240690a_100000700776_100000185807 [0,0,1,0,0,0|1,0,2]=4 197 B14R1.38 C=CCCCNC(=O)c1ccccc1 527a_100000700776_100000185807 [0,0,1,0,0,0|1,0,2]=4 198 B14R1.38 C=CCSCOC(=O)c1ccccc1 62a_100000073877_100000210623 [0,0,1,0,0,0|1,0,2]=4 199 B14R1.38 C=CCSCOC(=O)c1ccccc1 62a_100000210623_100000073877 [0,0,1,0,0,0|1,0,2]=4 200 B14R1.38 CC(OCCCCBr)c1ccccc1 34a_100011216708_100000211855 [0,0,1,0,0,0|2,0,1]=4 201 B14R1.38 CC(OCCCCCl)c1ccccc1 34a_100000210776_100000211855 [0,0,1,0,0,0|2,0,1]=4 202 B14R1.38 CC(OCCCCCl)c1ccccc1 7a_100000210776_100000230085 [0,0,1,0,0,0|2,0,1]=4 203 B14R1.38 CC(OCCCCF)c1ccccc1 34a_100011995726_100000211855 [0,0,1,0,0,0|2,0,1]=4 204 B14R1.38 CC(OCCCCF)c1ccccc1 7a_100011995726_100000230085 [0,0,1,0,0,0|2,0,1]=4 205 B14R1.38 CC(OCCCCI)c1ccccc1 34a_200012148704_100000211855 [0,0,1,0,0,0|2,0,1]=4 206 B14R1.38 CC(OCCCCN)c1ccccc1 34a_100000750430_100000211855 [0,0,1,0,0,0|2,0,1]=4 207 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 2230a_100000206020_200025704644 [0,0,1,0,0,0|2,0,1]=4 208 B14R1.38 CC(OCCCN[13CH3])c1ccccc1 34a_100000206020_200025704644 [0,0,1,0,0,0|2,0,1]=4 209 B14R1.38 CC/C=C\CCC(=O)c1ccccc1 1458a_100000185807_100015370543 [0,0,1,0,0,0|1,0,2]=4 210 B14R1.38 CCCC=NNC(=O)c1ccccc1 4a_100000184135_100000185831 [0,0,1,0,0,0|2,0,1]=4 211 B14R1.38 CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210757 [0,0,1,0,0,0|1,0,0]=2 212 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_100000210012_100000210314 [0,0,1,0,0,0|3,0,0]=4 213 B14R1.38 CCCCCCN(C)c1ccccc1 2230a_200000219565_200000210301 [0,0,1,0,0,0|3,0,0]=4 214 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_100000210012_100000210757 [0,0,1,0,0,0|3,0,0]=4 215 B14R1.38 CCCCCCN(C)c1ccccc1 269982a_200000219565_200000210301 [0,0,1,0,0,0|3,0,0]=4 216 B14R1.38 CCCCCCN(C)c1ccccc1 34a_100000210012_100000210314 [0,0,1,0,0,0|3,0,0]=4 217 B14R1.38 CCCCCCN(C)c1ccccc1 34a_200000219565_200000210301 [0,0,1,0,0,0|3,0,0]=4 218 B14R1.38 CCCCCCN(C)c1ccccc1 7a_200000219565_200000210301 [0,0,1,0,0,0|3,0,0]=4 219 B14R1.38 CCCCCCN([13CH3])c1ccccc1 2230a_200000219565_200025704644 [0,0,1,0,0,0|3,0,0]=4 220 B14R1.38 CCCCCCN([13CH3])c1ccccc1 269982a_200000219565_200025704644 [0,0,1,0,0,0|3,0,0]=4 221 B14R1.38 CCCCCCN([13CH3])c1ccccc1 34a_200000219565_200025704644 [0,0,1,0,0,0|3,0,0]=4 222 B14R1.38 CCCCCCN([13CH3])c1ccccc1 7a_200000219565_200025704644 [0,0,1,0,0,0|3,0,0]=4 223 B14R1.38 CCCCCNC(=O)c1ccccc1 11a_100000209983_100000185807 [0,0,1,0,0,0|1,0,0]=2 224 B14R1.38 CCCCCNC(=O)c1ccccc1 1626a_100000209983_100000185807 [0,0,1,0,0,0|1,0,0]=2 225 B14R1.38 CCCCCNC(=O)c1ccccc1 240690a_100000209983_100000185807 [0,0,1,0,0,0|1,0,0]=2 226 B14R1.38 CCCCCNC(=O)c1ccccc1 527a_100000209983_100000185807 [0,0,1,0,0,0|1,0,0]=2 227 B14R1.38 CCCCCNC(C)c1ccccc1 2230a_100000209983_100000230085 [0,0,1,0,0,0|2,0,1]=4 228 B14R1.38 CCCCCNC(C)c1ccccc1 269862a_100000209983_100000185851 [0,0,1,0,0,0|2,0,1]=4 229 B14R1.38 CCCCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210326 [0,0,1,0,0,0|2,0,1]=4 230 B14R1.38 CCCCCOC(C)c1ccccc1 34a_100000210253_100000211855 [0,0,1,0,0,0|1,0,1]=3 231 B14R1.38 CCCCCOC(C)c1ccccc1 7a_100000210253_100000230085 [0,0,1,0,0,0|1,0,1]=3 232 B14R1.38 CCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000718602 [0,0,1,0,0,0|1,0,1]=3 233 B14R1.38 CCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210326 [0,0,1,0,0,0|1,0,1]=3 234 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000210326_100000230085 [0,0,1,0,0,0|1,1,1]=4 235 B14R1.38 CCCCCSC(C)c1ccccc1 62a_100000230085_100000210326 [0,0,1,0,0,0|1,1,1]=4 236 B14R1.38 CCCCNCC(=O)c1ccccc1 7a_106832991798_100000211460 [0,0,1,0,0,0|2,0,0]=3 237 B14R1.38 CCCCNCC(=O)c1ccccn1 7a_106832991798_100000027445 [0,0,1,0,0,0|3,0,0]=4 238 B14R1.38 CCCCNCC(=O)c1ccncc1 7a_106832991798_100015248511 [0,0,1,0,0,0|3,0,0]=4 239 B14R1.38 CCCCNN=C(C)c1ccccc1 4a_100025702795_100000185851 [0,0,1,0,0,0|3,0,0]=4 240 B14R1.38 CCCCNNC(=O)c1ccccc1 22a_100025702795_100000185807 [0,0,1,0,0,0|2,0,0]=3 241 B14R1.38 CCCCOCC(=O)c1ccccc1 1458a_100000185807_100011995733 [0,0,1,0,0,0|2,0,0]=3 242 B14R1.38 CCCCOCC(=O)c1ccccc1 7a_100000210227_100000211460 [0,0,1,0,0,0|2,0,0]=3 243 B14R1.38 CCCCOCC(=O)c1ccccn1 34a_100000210227_100000027445 [0,0,1,0,0,0|3,0,0]=4 244 B14R1.38 CCCCOCC(=O)c1ccccn1 7a_100000210227_100000027445 [0,0,1,0,0,0|3,0,0]=4 245 B14R1.38 CCCCOCC(=O)c1ccncc1 7a_100000210227_100015248511 [0,0,1,0,0,0|3,0,0]=4 246 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000210211_100000211460 [0,0,1,0,0,0|2,0,0]=3 247 B14R1.38 CCCCSCC(=O)c1ccccc1 62a_100000211460_100000210210 [0,0,1,0,0,0|2,0,0]=3 248 B14R1.38 CCCCSCC(=O)c1ccccn1 62a_100000027445_100000210210 [0,0,1,0,0,0|3,0,0]=4 249 B14R1.38 CCCCSCC(=O)c1ccccn1 62a_100000210211_100000027445 [0,0,1,0,0,0|3,0,0]=4 250 B14R1.38 CCCCSCC(=O)c1cccnc1 62a_100000210211_100000757877 [0,0,1,0,0,0|3,0,0]=4 251 B14R1.38 CCCCSCC(=O)c1cccnc1 62a_100000757877_100000210210 [0,0,1,0,0,0|3,0,0]=4 252 B14R1.38 CCCCSCC(=O)c1ccncc1 62a_100000027454_100000210210 [0,0,1,0,0,0|3,0,0]=4 253 B14R1.38 CCCCSCC(=O)c1ccncc1 62a_100000210211_100000027454 [0,0,1,0,0,0|3,0,0]=4 254 B14R1.38 CCCCSCS(=O)c1ccccc1 62a_100000210211_100000031784 [0,0,1,0,0,0|3,0,0]=4 255 B14R1.38 CCCOCCC(=O)c1ccccc1 1458a_100000185807_100011215938 [0,0,1,0,0,0|2,0,0]=3 256 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000210303_100000750707 [0,0,1,0,0,0|2,0,0]=3 257 B14R1.38 CCCSCCC(=O)c1ccccc1 62a_100000750707_100000210303 [0,0,1,0,0,0|2,0,0]=3 258 B14R1.38 CCCSCCS(=O)c1ccccc1 62a_100000210303_100000740319 [0,0,1,0,0,0|3,0,0]=4 259 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000073877_100000210303 [0,0,1,0,0,0|1,0,0]=2 260 B14R1.38 CCCSCOC(=O)c1ccccc1 62a_100000210303_100000073877 [0,0,1,0,0,0|1,0,0]=2 261 B14R1.38 CCNCCCC(=O)c1ccccc1 2230a_100015525214_100000211006 [0,0,1,0,0,0|2,0,0]=3 262 B14R1.38 CCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210202 [0,0,1,0,0,0|2,0,0]=3 263 B14R1.38 CCNCCNC(=O)c1ccncc1 2230a_200011198449_100000210202 [0,0,1,0,0,0|3,0,0]=4 264 B14R1.38 CCOCCCC(=O)c1ccccc1 1458a_100000185807_100012232248 [0,0,1,0,0,0|2,0,0]=3 265 B14R1.38 CCOCCNC(=O)c1ccccc1 11a_100011200944_100000185807 [0,0,1,0,0,0|2,0,0]=3 266 B14R1.38 CCOCCNC(=O)c1ccccc1 1626a_102516460346_100000185807 [0,0,1,0,0,0|2,0,0]=3 267 B14R1.38 CCOCCNC(=O)c1ccccc1 240690a_100011200944_100000185807 [0,0,1,0,0,0|2,0,0]=3 268 B14R1.38 CCOCCNC(=O)c1ccccc1 34a_200000158897_100000210202 [0,0,1,0,0,0|2,0,0]=3 269 B14R1.38 CCOCCNC(=O)c1ccccc1 527a_100011200944_100000185807 [0,0,1,0,0,0|2,0,0]=3 270 B14R1.38 CCOCCNC(=O)c1ccccc1 7a_200000158897_100000210202 [0,0,1,0,0,0|2,0,0]=3 271 B14R1.38 CCOCCOC(=O)c1ccccc1 34a_100121572206_100009812718 [0,0,1,0,0,0|1,0,0]=2 272 B14R1.38 CCOCCOC(=O)c1ccccc1 7a_100000025465_100000210202 [0,0,1,0,0,0|1,0,0]=2 273 B14R1.38 CCOCCOC(C)c1ccccc1 34a_100000210136_100000211855 [0,0,1,0,0,0|2,0,1]=4 274 B14R1.38 CCOCCOC(C)c1ccccc1 7a_100000210136_100000230085 [0,0,1,0,0,0|2,0,1]=4 275 B14R1.38 CCOCCO[C@H](C)c1ccccc1 34a_100000761318_100000210147 [0,0,1,0,0,0|2,0,1]=4 276 B14R1.38 CCOCCO[C@H](C)c1ccccc1 7a_100000761318_100011215890 [0,0,1,0,0,0|2,0,1]=4 277 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000211460_100000739092 [0,0,1,0,0,0|3,0,0]=4 278 B14R1.38 CCOCSCC(=O)c1ccccc1 62a_100000739092_100000211460 [0,0,1,0,0,0|3,0,0]=4 279 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000210202_100000211006 [0,0,1,0,0,0|2,0,0]=3 280 B14R1.38 CCSCCCC(=O)c1ccccc1 62a_100000211006_100000210202 [0,0,1,0,0,0|2,0,0]=3 281 B14R1.38 CCSCCNC(=O)c1ccccc1 11a_100000106463_100000185807 [0,0,1,0,0,0|2,0,0]=3 282 B14R1.38 CCSCCNC(=O)c1ccccc1 1626a_100000106463_100000185807 [0,0,1,0,0,0|2,0,0]=3 283 B14R1.38 CCSCCNC(=O)c1ccccc1 240690a_100000106463_100000185807 [0,0,1,0,0,0|2,0,0]=3 284 B14R1.38 CCSCCNC(=O)c1ccccc1 527a_100000106463_100000185807 [0,0,1,0,0,0|2,0,0]=3 285 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_100000210202_200011215302 [0,0,1,0,0,0|2,0,0]=3 286 B14R1.38 CCSCCNC(=O)c1ccccc1 62a_200011215302_100000210202 [0,0,1,0,0,0|2,0,0]=3 287 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100000210202_100009812718 [0,0,1,0,0,0|1,0,0]=2 288 B14R1.38 CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210202 [0,0,1,0,0,0|1,0,0]=2 289 B14R1.38 CCSCCOC(C)c1ccccc1 34a_100000212035_100000211855 [0,0,1,0,0,0|2,0,1]=4 290 B14R1.38 CCSCCOC(C)c1ccccc1 7a_100000212035_100000230085 [0,0,1,0,0,0|2,0,1]=4 291 B14R1.38 CCSCCO[C@H](C)c1ccccc1 34a_100000761318_100000757381 [0,0,1,0,0,0|2,0,1]=4 292 B14R1.38 CCSCCO[C@H](C)c1ccccc1 7a_100000761318_100000757381 [0,0,1,0,0,0|2,0,1]=4 293 B14R1.38 CNCCCOC(=O)c1ccccc1 34a_100102657272_200009892979 [0,0,1,0,0,0|1,0,0]=2 294 B14R1.38 CNCCCOC(=O)c1ccccc1 7a_106832991635_200009892979 [0,0,1,0,0,0|1,0,0]=2 295 B14R1.38 CNCCCOC(C)c1ccccc1 2230a_100000206020_200000210301 [0,0,1,0,0,0|2,0,1]=4 296 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000206020_200000210301 [0,0,1,0,0,0|2,0,1]=4 297 B14R1.38 CNCCCOC(C)c1ccccc1 34a_100000213112_100000211855 [0,0,1,0,0,0|2,0,1]=4 298 B14R1.38 COCCCCC(=O)c1ccccc1 1458a_100000185807_100000755781 [0,0,1,0,0,0|2,0,0]=3 299 B14R1.38 COCCCNC(=O)c1ccccc1 1626a_100150723488_100000185807 [0,0,1,0,0,0|2,0,0]=3 300 B14R1.38 COCCCNC(=O)c1ccccc1 240690a_100150723488_100000185807 [0,0,1,0,0,0|2,0,0]=3 301 B14R1.38 COCCCNC(=O)c1ccccc1 527a_100150723488_100000185807 [0,0,1,0,0,0|2,0,0]=3 302 B14R1.38 COCCCOC(=O)c1ccccc1 34a_100138415774_200009892979 [0,0,1,0,0,0|1,0,0]=2 303 B14R1.38 COCCCOC(C)c1ccccc1 34a_100000740835_100000211855 [0,0,1,0,0,0|2,0,1]=4 304 B14R1.38 COCCCO[C@H](C)c1ccccc1 34a_100000761318_100000740836 [0,0,1,0,0,0|2,0,1]=4 305 B14R1.38 COCCCO[C@H](C)c1ccccc1 7a_100000761318_100000740836 [0,0,1,0,0,0|2,0,1]=4 306 B14R1.38 COCCNNC(=O)c1ccccc1 22a_100000741390_100000185807 [0,0,1,0,0,0|3,0,0]=4 307 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000211460_100000233755 [0,0,1,0,0,0|3,0,0]=4 308 B14R1.38 COCCSCC(=O)c1ccccc1 62a_100000233755_100000211460 [0,0,1,0,0,0|3,0,0]=4 309 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000750707_100000766300 [0,0,1,0,0,0|3,0,0]=4 310 B14R1.38 COCSCCC(=O)c1ccccc1 62a_100000766300_100000750707 [0,0,1,0,0,0|3,0,0]=4 311 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000073877_100000766300 [0,0,1,0,0,0|2,0,0]=3 312 B14R1.38 COCSCOC(=O)c1ccccc1 62a_100000766300_100000073877 [0,0,1,0,0,0|2,0,0]=3 313 B14R1.38 CSCCCNC(=O)c1ccccc1 11a_100000749238_100000185807 [0,0,1,0,0,0|2,0,0]=3 314 B14R1.38 CSCCCNC(=O)c1ccccc1 1626a_100000749238_100000185807 [0,0,1,0,0,0|2,0,0]=3 315 B14R1.38 CSCCCNC(=O)c1ccccc1 240690a_100000749238_100000185807 [0,0,1,0,0,0|2,0,0]=3 316 B14R1.38 CSCCCNC(=O)c1ccccc1 527a_100000749238_100000185807 [0,0,1,0,0,0|2,0,0]=3 317 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200000210301_200009892979 [0,0,1,0,0,0|1,0,0]=2 318 B14R1.38 CSCCCOC(=O)c1ccccc1 62a_200009892979_200000210301 [0,0,1,0,0,0|1,0,0]=2 319 B14R1.38 CSCCCOC(C)c1ccccc1 34a_100000690336_100000211855 [0,0,1,0,0,0|2,0,1]=4 320 B14R1.38 CSCCCOC(C)c1ccccc1 7a_100000690336_100000230085 [0,0,1,0,0,0|2,0,1]=4 321 B14R1.38 CSCCOCC(=O)c1ccccc1 7a_100000230434_100000211460 [0,0,1,0,0,0|3,0,0]=4 322 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000211460_100000751147 [0,0,1,0,0,0|3,0,0]=4 323 B14R1.38 CSCCSCC(=O)c1ccccc1 62a_100000212216_100000211460 [0,0,1,0,0,0|3,0,0]=4 324 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100000750707_100011218213 [0,0,1,0,0,0|3,0,0]=4 325 B14R1.38 CSCSCCC(=O)c1ccccc1 62a_100011218213_100000750707 [0,0,1,0,0,0|3,0,0]=4 326 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100000073877_100011218213 [0,0,1,0,0,0|2,0,0]=3 327 B14R1.38 CSCSCOC(=O)c1ccccc1 62a_100011218213_100000073877 [0,0,1,0,0,0|2,0,0]=3 328 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 34a_100000761318_100000729493 [0,0,1,0,0,0|2,0,1]=4 329 B14R1.38 C[C@@H](OCCCCF)c1ccccc1 7a_100000761318_100000729493 [0,0,1,0,0,0|2,0,1]=4 330 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 34a_100000761318_100011216708 [0,0,1,0,0,0|2,0,1]=4 331 B14R1.38 C[C@@H](OCCCCO)c1ccccc1 7a_100000761318_100000210776 [0,0,1,0,0,0|2,0,1]=4 332 B14R1.38 N#CCCCCC(=O)c1ccccc1 1458a_100000185807_100000211819 [0,0,1,0,0,0|2,0,1]=4 333 B14R1.38 N#CCSCOC(=O)c1ccccc1 62a_100000073877_100011215382 [0,0,1,0,0,0|2,0,1]=4 334 B14R1.38 N#CCSCOC(=O)c1ccccc1 62a_100011215382_100000073877 [0,0,1,0,0,0|2,0,1]=4 335 B14R1.38 O=C(CCCCCF)c1ccccc1 1458a_100000185807_100000729378 [0,0,1,0,0,0|2,0,0]=3 336 B14R1.38 O=C(CCCCCO)c1ccccc1 1458a_100000185807_100000746330 [0,0,1,0,0,0|2,0,0]=3 337 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100000211006_100015361967 [0,0,1,0,0,0|3,0,0]=4 338 B14R1.38 O=C(CCCSCF)c1ccccc1 62a_100015361967_100000211006 [0,0,1,0,0,0|3,0,0]=4 339 B14R1.38 O=C(CCNCCO)c1ccccc1 2230a_100016997473_100000750707 [0,0,1,0,0,0|3,0,0]=4 340 B14R1.38 O=C(CCOCCO)c1ccccc1 1458a_100000185807_100011215305 [0,0,1,0,0,0|3,0,0]=4 341 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100000750707_100011217306 [0,0,1,0,0,0|3,0,0]=4 342 B14R1.38 O=C(CCSCCF)c1ccccc1 62a_100011217306_100000750707 [0,0,1,0,0,0|3,0,0]=4 343 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000211926_100000750707 [0,0,1,0,0,0|3,0,0]=4 344 B14R1.38 O=C(CCSCCO)c1ccccc1 62a_100000750707_100000211926 [0,0,1,0,0,0|3,0,0]=4 345 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100000211460_100011934791 [0,0,1,0,0,0|3,0,0]=4 346 B14R1.38 O=C(CSCCCF)c1ccccc1 62a_100011934791_100000211460 [0,0,1,0,0,0|3,0,0]=4 347 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100000211460_100011215043 [0,0,1,0,0,0|3,0,0]=4 348 B14R1.38 O=C(CSCCCO)c1ccccc1 62a_100011215043_100000211460 [0,0,1,0,0,0|3,0,0]=4 349 B14R1.38 O=C(NCCCCO)c1ccccc1 240690a_100000750430_100000185807 [0,0,1,0,0,0|2,0,0]=3 350 B14R1.38 O=C(NCCCCO)c1ccccc1 527a_100000750430_100000185807 [0,0,1,0,0,0|2,0,0]=3 351 B14R1.38 O=C(NCCOCF)c1ccccc1 34a_200000158897_100015361967 [0,0,1,0,0,0|3,0,0]=4 352 B14R1.38 O=C(NCCOCF)c1ccccc1 7a_200000158897_100015361967 [0,0,1,0,0,0|3,0,0]=4 353 B14R1.38 O=C(NCCSCF)c1ccccc1 62a_100015361967_200011215302 [0,0,1,0,0,0|3,0,0]=4 354 B14R1.38 O=C(NCCSCF)c1ccccc1 62a_200011215302_100015361967 [0,0,1,0,0,0|3,0,0]=4 355 B14R1.38 O=C(OCCOCF)c1ccccc1 7a_100000025465_100015361967 [0,0,1,0,0,0|2,0,0]=3 356 B14R1.38 O=C(OCCSCF)c1ccccc1 62a_100009812718_100015361967 [0,0,1,0,0,0|2,0,0]=3 357 B14R1.38 O=C(OCCSCF)c1ccccc1 62a_100015361967_100009812718 [0,0,1,0,0,0|2,0,0]=3 358 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100000073877_100011217306 [0,0,1,0,0,0|2,0,0]=3 359 B14R1.38 O=C(OCSCCF)c1ccccc1 62a_100011217306_100000073877 [0,0,1,0,0,0|2,0,0]=3 360 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000073877_100000211926 [0,0,1,0,0,0|2,0,0]=3 361 B14R1.38 O=C(OCSCCO)c1ccccc1 62a_100000211926_100000073877 [0,0,1,0,0,0|2,0,0]=3 362 B14R1.38 O=CCSCOC(=O)c1ccccc1 62a_100000073877_200015260668 [0,0,1,0,0,0|2,0,1]=4 363 B14R1.38 O=CCSCOC(=O)c1ccccc1 62a_200015260668_100000073877 [0,0,1,0,0,0|2,0,1]=4 364 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200009892979_200025704644 [0,0,1,0,0,0|1,0,0]=2 365 B14R1.38 [13CH3]SCCCOC(=O)c1ccccc1 62a_200025704644_200009892979 [0,0,1,0,0,0|1,0,0]=2 366 B14R1.171 C=CCC(OCCC)c1ccccc1 34a_100000687291_100000210303 [0,0,1,0,0,0|3,0,0]=4 367 B14R1.171 C=CCC(OCCC)c1ccccc1 7a_100000687291_100000210303 [0,0,1,0,0,0|3,0,0]=4 368 B14R1.171 C=CCN(CCCC)c1ccccc1 2230a_100000211623_100000210623 [0,0,1,0,0,0|3,0,0]=4 369 B14R1.171 C=CCN(CCCC)c1ccccc1 2230a_100000211662_100000210211 [0,0,1,0,0,0|3,0,0]=4 370 B14R1.171 C=CCN(CCCC)c1ccccc1 269982a_100000211623_100000210623 [0,0,1,0,0,0|3,0,0]=4 371 B14R1.171 C=CCN(CCCC)c1ccccc1 269982a_100000211662_100000210211 [0,0,1,0,0,0|3,0,0]=4 372 B14R1.171 C=CCN(CCCC)c1ccccc1 34a_100000211623_100015514636 [0,0,1,0,0,0|3,0,0]=4 373 B14R1.171 C=CCN(CCCC)c1ccccc1 34a_100000211662_100000210210 [0,0,1,0,0,0|3,0,0]=4 374 B14R1.171 CCCCC(NCC)c1ccccc1 269862a_100015525214_100000211663 [0,0,1,0,0,0|2,0,1]=4 375 B14R1.171 CCCCC(OCC)c1ccccc1 34a_100000698411_100000210202 [0,0,1,0,0,0|1,0,1]=3 376 B14R1.171 CCCCC(OCC)c1ccccc1 7a_100000698411_100000210202 [0,0,1,0,0,0|1,0,1]=3 377 B14R1.171 CCCCC(OCF)c1ccccc1 34a_100000698411_100015361967 [0,0,1,0,0,0|1,0,1]=3 378 B14R1.171 CCCCC(OCF)c1ccccc1 7a_100000698411_100015361967 [0,0,1,0,0,0|1,0,1]=3 379 B14R1.171 CCCCN(CC=O)c1ccccc1 2230a_100000211623_200015260668 [0,0,1,0,0,0|2,0,0]=3 380 B14R1.171 CCCCN(CC=O)c1ccccc1 269982a_100000211623_200015260668 [0,0,1,0,0,0|2,0,0]=3 381 B14R1.171 CCCCN(CC=O)c1ccccc1 34a_100000211623_200009817547 [0,0,1,0,0,0|2,0,0]=3 382 B14R1.171 O=CCN(CCCO)c1ccccc1 2230a_100000212590_200015260668 [0,0,1,0,0,0|3,0,0]=4 383 B14R1.171 O=CCN(CCCO)c1ccccc1 269982a_100000212590_200015260668 [0,0,1,0,0,0|3,0,0]=4 384 B14R1.171 O=CCN(CCCO)c1ccccc1 34a_100000212590_200009817547 [0,0,1,0,0,0|3,0,0]=4 385 B14R1.903 C#CCCSc1ccccc1C(=O)O 62a_100000688953_100000734275 [0,0,1,0,0,0|1,0,2]=4 386 B14R1.903 C#CCCSc1ccccc1C(=O)O 62a_202125556159_100000688953 [0,0,1,0,0,0|1,0,2]=4 387 B14R1.903 C#CCNCc1ccccc1C(=O)O 269956a_100015183376_100000184674 [0,0,1,0,0,0|1,0,2]=4 388 B14R1.903 C/C=C/CSc1ccccc1C(=O)O 62a_100102629194_100000734275 [0,0,1,0,0,0|1,0,2]=4 389 B14R1.903 C/C=C/CSc1ccccc1C(=O)O 62a_202125556159_100102629194 [0,0,1,0,0,0|1,0,2]=4 390 B14R1.903 C=C(C)c1ccccc1CCCCO 271570a_100000694244_100012092669 [0,0,1,0,0,0|3,0,0]=4 391 B14R1.903 C=C(C)c1ccccc1CNCCC 271570a_100000694244_100000196483 [0,0,1,0,0,0|3,0,0]=4 392 B14R1.903 C=C(C)c1ccccc1CSCCC 271570a_100000694244_200000173363 [0,0,1,0,0,0|3,0,0]=4 393 B14R1.903 C=C(C)c1ccccc1NCCCC 34a_100000037685_100000210210 [0,0,1,0,0,0|3,0,0]=4 394 B14R1.903 C=C(C)c1ccccc1OCCCC 271570a_100000694244_100000230755 [0,0,1,0,0,0|3,0,0]=4 395 B14R1.903 C=CCCSc1ccccc1C(=O)O 62a_100000754431_100000734275 [0,0,1,0,0,0|1,0,2]=4 396 B14R1.903 C=CCCSc1ccccc1C(=O)O 62a_202125556159_100000754431 [0,0,1,0,0,0|1,0,2]=4 397 B14R1.903 C=CCNCc1ccccc1C(=O)O 269956a_100015183376_100000210623 [0,0,1,0,0,0|1,0,2]=4 398 B14R1.903 CC#CCSc1ccccc1C(=O)O 62a_100000748600_100000734275 [0,0,1,0,0,0|1,0,2]=4 399 B14R1.903 CC#CCSc1ccccc1C(=O)O 62a_202125556159_100000748600 [0,0,1,0,0,0|1,0,2]=4 400 B14R1.903 CC(=O)c1ccccc1OCCS[13CH3] 62a_100000184561_200025704644 [0,0,1,0,0,0|3,0,0]=4 401 B14R1.903 CC(=O)c1ccccc1OCCS[13CH3] 62a_200025704644_100000184561 [0,0,1,0,0,0|3,0,0]=4 402 B14R1.903 CC(=O)c1ccccc1SCCCF 62a_100000751169_100011934791 [0,0,1,0,0,0|3,0,0]=4 403 B14R1.903 CC(=O)c1ccccc1SCCCO 62a_100000751169_100011215043 [0,0,1,0,0,0|3,0,0]=4 404 B14R1.903 CC=CCSc1ccccc1C(=O)O 62a_100000070051_100000734275 [0,0,1,0,0,0|1,0,2]=4 405 B14R1.903 CC=CCSc1ccccc1C(=O)O 62a_202125556159_100000070051 [0,0,1,0,0,0|1,0,2]=4 406 B14R1.903 CCCC=Cc1ccccc1C(=O)C 271570a_100016258520_100000751169 [0,0,1,0,0,0|1,0,2]=4 407 B14R1.903 CCCC=Cc1ccccc1C(=O)N 271570a_100016258520_100000162227 [0,0,1,0,0,0|1,0,2]=4 408 B14R1.903 CCCCNc1ccccc1C(=O)N 34a_100000185089_100000210210 [0,0,1,0,0,0|2,0,0]=3 409 B14R1.903 CCCCNc1ccccc1C(C)O 2230a_100011405641_100000210211 [0,0,1,0,0,0|2,0,1]=4 410 B14R1.903 CCCCNc1cccnc1C(=O)N 27a_100000102301_200012359670 [0,0,1,0,0,0|3,0,0]=4 411 B14R1.903 CCCCNc1ccncc1C(=O)C 27a_100000102301_100160469449 [0,0,1,0,0,0|3,0,0]=4 412 B14R1.903 CCCCNc1ccncc1C(=O)N 27a_100000102301_100000697804 [0,0,1,0,0,0|3,0,0]=4 413 B14R1.903 CCCCNc1ncccc1C(=O)C 27a_100000102301_100009816689 [0,0,1,0,0,0|3,0,0]=4 414 B14R1.903 CCCCNc1ncccc1C(=O)N 27a_100000102301_100000162199 [0,0,1,0,0,0|3,0,0]=4 415 B14R1.903 CCCCOc1ccccc1C(=O)C 1458a_100000215687_200000210301 [0,0,1,0,0,0|2,0,0]=3 416 B14R1.903 CCCCOc1ccccc1C(=O)N 34a_100000192804_100000210210 [0,0,1,0,0,0|2,0,0]=3 417 B14R1.903 CCCCOc1ccccc1C(=O)N 7a_100000192804_100000210211 [0,0,1,0,0,0|2,0,0]=3 418 B14R1.903 CCCCOc1ccccc1C(=O)[13CH3] 1458a_100000215687_200025704644 [0,0,1,0,0,0|2,0,0]=3 419 B14R1.903 CCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210211 [0,0,1,0,0,0|1,0,1]=3 420 B14R1.903 CCCCOc1ccccc1C(=S)N 7a_100000745089_100000210211 [0,0,1,0,0,0|2,1,0]=4 421 B14R1.903 CCCCOc1ccccc1C(C)O 34a_200011232679_100000210210 [0,0,1,0,0,0|2,0,1]=4 422 B14R1.903 CCCCOc1ccccc1C(C)O 7a_200011232679_100000210211 [0,0,1,0,0,0|2,0,1]=4 423 B14R1.903 CCCCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000210210 [0,0,1,0,0,0|2,0,1]=4 424 B14R1.903 CCCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210211 [0,0,1,0,0,0|2,0,1]=4 425 B14R1.903 CCCCOc1cccnc1C(=O)C 34a_100000087166_100000210210 [0,0,1,0,0,0|3,0,0]=4 426 B14R1.903 CCCCOc1cccnc1C(=O)C 7a_100000087166_100000210211 [0,0,1,0,0,0|3,0,0]=4 427 B14R1.903 CCCCOc1cccnc1C(=O)N 34a_200011215183_100000210210 [0,0,1,0,0,0|3,0,0]=4 428 B14R1.903 CCCCOc1cccnc1C(=O)N 7a_200011215183_100000210211 [0,0,1,0,0,0|3,0,0]=4 429 B14R1.903 CCCCOc1ccncc1C(=O)N 34a_200011998761_100000210210 [0,0,1,0,0,0|3,0,0]=4 430 B14R1.903 CCCCOc1cnccc1C(=O)C 7a_100009872882_100000210211 [0,0,1,0,0,0|3,0,0]=4 431 B14R1.903 CCCCOc1cnccc1C(=O)N 7a_100012022987_100000210211 [0,0,1,0,0,0|3,0,0]=4 432 B14R1.903 CCCCSc1ccccc1B(O)O 62a_100000210211_100000693059 [0,0,1,0,0,0|2,0,1]=4 433 B14R1.903 CCCCSc1ccccc1B(O)O 62a_100000693059_100000210210 [0,0,1,0,0,0|2,0,1]=4 434 B14R1.903 CCCCSc1ccccc1C(=O)C 1458a_200000217314_200000210301 [0,0,1,0,0,0|2,0,0]=3 435 B14R1.903 CCCCSc1ccccc1C(=O)C 62a_100000751169_100000210210 [0,0,1,0,0,0|2,0,0]=3 436 B14R1.903 CCCCSc1ccccc1C(=O)N 62a_100000162227_100000210210 [0,0,1,0,0,0|2,0,0]=3 437 B14R1.903 CCCCSc1ccccc1C(=O)N 62a_100000210211_100000162227 [0,0,1,0,0,0|2,0,0]=3 438 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_100000210211_100000734275 [0,0,1,0,0,0|1,0,0]=2 439 B14R1.903 CCCCSc1ccccc1C(=O)O 62a_202125556159_100000210210 [0,0,1,0,0,0|1,0,0]=2 440 B14R1.903 CCCCSc1ccccc1C(=O)[13CH3] 1458a_200000217314_200025704644 [0,0,1,0,0,0|2,0,0]=3 441 B14R1.903 CCCCSc1ccccc1C(C)O 62a_100000210211_100000702211 [0,0,1,0,0,0|2,0,1]=4 442 B14R1.903 CCCCSc1ccccc1C(C)O 62a_100000702211_100000210210 [0,0,1,0,0,0|2,0,1]=4 443 B14R1.903 CCCCSc1ccccc1S(=O)C 62a_100000734199_100000210210 [0,0,1,0,0,0|3,0,0]=4 444 B14R1.903 CCCCSc1cccnc1C(=O)C 62a_100000210211_100012348690 [0,0,1,0,0,0|3,0,0]=4 445 B14R1.903 CCCCSc1cccnc1C(=O)C 62a_100012348690_100000210210 [0,0,1,0,0,0|3,0,0]=4 446 B14R1.903 CCCCSc1cccnc1C(=O)N 62a_100000210211_200012359670 [0,0,1,0,0,0|3,0,0]=4 447 B14R1.903 CCCCSc1cccnc1C(=O)N 62a_200012359670_100000210210 [0,0,1,0,0,0|3,0,0]=4 448 B14R1.903 CCCCSc1ccncc1C(=O)C 62a_100000210211_100160469449 [0,0,1,0,0,0|3,0,0]=4 449 B14R1.903 CCCCSc1ccncc1C(=O)C 62a_100160469449_100000210210 [0,0,1,0,0,0|3,0,0]=4 450 B14R1.903 CCCCSc1ccncc1C(=O)N 62a_100000210211_100000697804 [0,0,1,0,0,0|3,0,0]=4 451 B14R1.903 CCCCSc1ccncc1C(=O)N 62a_100000697804_100000210210 [0,0,1,0,0,0|3,0,0]=4 452 B14R1.903 CCCCSc1cnccc1C(=O)C 62a_100000210211_100009993184 [0,0,1,0,0,0|3,0,0]=4 453 B14R1.903 CCCCSc1cnccc1C(=O)C 62a_100009993184_100000210210 [0,0,1,0,0,0|3,0,0]=4 454 B14R1.903 CCCCSc1cnccc1C(=O)N 62a_100000210211_100010205435 [0,0,1,0,0,0|3,0,0]=4 455 B14R1.903 CCCCSc1cnccc1C(=O)N 62a_100010205435_100000210210 [0,0,1,0,0,0|3,0,0]=4 456 B14R1.903 CCCCSc1ncccc1C(=O)C 62a_100000210211_100000753718 [0,0,1,0,0,0|3,0,0]=4 457 B14R1.903 CCCCSc1ncccc1C(=O)C 62a_100000753718_100000210210 [0,0,1,0,0,0|3,0,0]=4 458 B14R1.903 CCCCSc1ncccc1C(=O)N 62a_100000162199_100000210210 [0,0,1,0,0,0|3,0,0]=4 459 B14R1.903 CCCCSc1ncccc1C(=O)N 62a_100000210211_100000162199 [0,0,1,0,0,0|3,0,0]=4 460 B14R1.903 CCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210207 [0,0,1,0,0,0|1,0,0]=2 461 B14R1.903 CCCNCc1ccccc1[N+](=O)[O-] 270004a_100020643023_100000186027 [0,0,1,0,0,0|2,0,1]=4 462 B14R1.903 CCCOCc1ccccc1B(O)O 34a_100000210258_100009814197 [0,0,1,0,0,0|2,0,1]=4 463 B14R1.903 CCCOCc1ccccc1[N+](=O)[O-] 34a_100000210258_100000181388 [0,0,1,0,0,0|2,0,1]=4 464 B14R1.903 CCCOCc1ccccc1[N+](=O)[O-] 7a_100011218404_100000210303 [0,0,1,0,0,0|2,0,1]=4 465 B14R1.903 CCCSCc1ccccc1B(O)O 62a_100000210303_100009814197 [0,0,1,0,0,0|2,0,1]=4 466 B14R1.903 CCCSCc1ccccc1B(O)O 62a_100009814197_100000210303 [0,0,1,0,0,0|2,0,1]=4 467 B14R1.903 CCCSCc1ccccc1[N+](=O)[O-] 62a_100000210303_100000181388 [0,0,1,0,0,0|2,0,1]=4 468 B14R1.903 CCNCCc1ccccc1[N+](=O)[O-] 2230a_100000723993_100000210202 [0,0,1,0,0,0|2,0,1]=4 469 B14R1.903 CCNCCc1ccccc1[N+](=O)[O-] 2230a_100015525214_200011934512 [0,0,1,0,0,0|2,0,1]=4 470 B14R1.903 CCOCCc1ccccc1[N+](=O)[O-] 34a_100000749287_100000210202 [0,0,1,0,0,0|2,0,1]=4 471 B14R1.903 CCOCCc1ccccc1[N+](=O)[O-] 34a_100121572206_200011934512 [0,0,1,0,0,0|2,0,1]=4 472 B14R1.903 CCOCCc1ccccc1[N+](=O)[O-] 7a_100000749287_100000210202 [0,0,1,0,0,0|2,0,1]=4 473 B14R1.903 CCOCSc1ccccc1C(=O)C 62a_100000751169_100000739092 [0,0,1,0,0,0|3,0,0]=4 474 B14R1.903 CCOCSc1ccccc1C(=O)N 62a_100000162227_100000739092 [0,0,1,0,0,0|3,0,0]=4 475 B14R1.903 CCOCSc1ccccc1C(=O)N 62a_100000739092_100000162227 [0,0,1,0,0,0|3,0,0]=4 476 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_100000739092_100000734275 [0,0,1,0,0,0|2,0,0]=3 477 B14R1.903 CCOCSc1ccccc1C(=O)O 62a_202125556159_100000739092 [0,0,1,0,0,0|2,0,0]=3 478 B14R1.903 CNCCOc1ccccc1C(=O)C 2230a_106832991635_100000184561 [0,0,1,0,0,0|3,0,0]=4 479 B14R1.903 CNCCOc1ccccc1C(=O)C 34a_100102657272_100000184561 [0,0,1,0,0,0|3,0,0]=4 480 B14R1.903 CNCCOc1ccccc1C(=O)C 7a_106832991635_100000184561 [0,0,1,0,0,0|3,0,0]=4 481 B14R1.903 COCCCc1ccccc1[N+](=O)[O-] 34a_100000090589_200000210301 [0,0,1,0,0,0|2,0,1]=4 482 B14R1.903 COCCCc1ccccc1[N+](=O)[O-] 7a_100000090589_200000210301 [0,0,1,0,0,0|2,0,1]=4 483 B14R1.903 COCCNc1ccccc1C(=O)N 34a_100000185089_100011201679 [0,0,1,0,0,0|3,0,0]=4 484 B14R1.903 COCCOc1ccccc1C(=O)C 1458a_100000244650_200000210301 [0,0,1,0,0,0|3,0,0]=4 485 B14R1.903 COCCOc1ccccc1C(=O)C 34a_100138415774_100000184561 [0,0,1,0,0,0|3,0,0]=4 486 B14R1.903 COCCOc1ccccc1C(=O)N 34a_100000192804_100011201679 [0,0,1,0,0,0|3,0,0]=4 487 B14R1.903 COCCOc1ccccc1C(=O)N 7a_100000192804_100000233755 [0,0,1,0,0,0|3,0,0]=4 488 B14R1.903 COCCOc1ccccc1C(=O)[13CH3] 1458a_100000244650_200025704644 [0,0,1,0,0,0|3,0,0]=4 489 B14R1.903 COCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000233755 [0,0,1,0,0,0|2,0,1]=4 490 B14R1.903 COCCSc1ccccc1C(=O)C 62a_100000751169_100000233755 [0,0,1,0,0,0|3,0,0]=4 491 B14R1.903 COCCSc1ccccc1C(=O)N 62a_100000162227_100000233755 [0,0,1,0,0,0|3,0,0]=4 492 B14R1.903 COCCSc1ccccc1C(=O)N 62a_100000233755_100000162227 [0,0,1,0,0,0|3,0,0]=4 493 B14R1.903 COCCSc1ccccc1C(=O)O 62a_100000233755_100000734275 [0,0,1,0,0,0|2,0,0]=3 494 B14R1.903 COCCSc1ccccc1C(=O)O 62a_202125556159_100000233755 [0,0,1,0,0,0|2,0,0]=3 495 B14R1.903 COCNCc1ccccc1C(=O)O 269956a_100015183376_100000766300 [0,0,1,0,0,0|2,0,0]=3 496 B14R1.903 CSCCNc1ccccc1C(=O)N 34a_100000185089_100000212216 [0,0,1,0,0,0|3,0,0]=4 497 B14R1.903 CSCCOc1ccccc1C(=O)C 62a_100000184561_200000210301 [0,0,1,0,0,0|3,0,0]=4 498 B14R1.903 CSCCOc1ccccc1C(=O)C 62a_200000210301_100000184561 [0,0,1,0,0,0|3,0,0]=4 499 B14R1.903 CSCCOc1ccccc1C(=O)N 34a_100000192804_100000212216 [0,0,1,0,0,0|3,0,0]=4 500 B14R1.903 CSCCOc1ccccc1C(=O)N 7a_100000192804_100000212216 [0,0,1,0,0,0|3,0,0]=4 501 B14R1.903 CSCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000212216 [0,0,1,0,0,0|2,0,1]=4 502 B14R1.903 CSCCSc1ccccc1C(=O)C 62a_100000751169_100000751147 [0,0,1,0,0,0|3,0,0]=4 503 B14R1.903 CSCCSc1ccccc1C(=O)N 62a_100000162227_100000751147 [0,0,1,0,0,0|3,0,0]=4 504 B14R1.903 CSCCSc1ccccc1C(=O)N 62a_100000212216_100000162227 [0,0,1,0,0,0|3,0,0]=4 505 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_100000212216_100000734275 [0,0,1,0,0,0|2,0,0]=3 506 B14R1.903 CSCCSc1ccccc1C(=O)O 62a_202125556159_100000751147 [0,0,1,0,0,0|2,0,0]=3 507 B14R1.903 CSCNCc1ccccc1C(=O)O 269956a_100015183376_100011218213 [0,0,1,0,0,0|2,0,0]=3 508 B14R1.903 N#CCCSc1ccccc1C(=O)O 62a_100011215226_100000734275 [0,0,1,0,0,0|2,0,1]=4 509 B14R1.903 N#CCCSc1ccccc1C(=O)O 62a_202125556159_100011215226 [0,0,1,0,0,0|2,0,1]=4 510 B14R1.903 N#CCNCc1ccccc1C(=O)O 269956a_100015183376_100011215382 [0,0,1,0,0,0|2,0,1]=4 511 B14R1.903 NC(=O)c1ccccc1NCCCF 34a_100000185089_100011934791 [0,0,1,0,0,0|3,0,0]=4 512 B14R1.903 NC(=O)c1ccccc1NCCCO 34a_100000185089_100000230001 [0,0,1,0,0,0|3,0,0]=4 513 B14R1.903 NC(=O)c1ccccc1OCCCF 34a_100000192804_100011934791 [0,0,1,0,0,0|3,0,0]=4 514 B14R1.903 NC(=O)c1ccccc1OCCCF 7a_100000192804_100011934791 [0,0,1,0,0,0|3,0,0]=4 515 B14R1.903 NC(=O)c1ccccc1OCCCO 34a_100000192804_100000230001 [0,0,1,0,0,0|3,0,0]=4 516 B14R1.903 NC(=O)c1ccccc1OCCCO 7a_100000192804_100011215043 [0,0,1,0,0,0|3,0,0]=4 517 B14R1.903 NC(=O)c1ccccc1SCCCF 62a_100000162227_100011934791 [0,0,1,0,0,0|3,0,0]=4 518 B14R1.903 NC(=O)c1ccccc1SCCCF 62a_100011934791_100000162227 [0,0,1,0,0,0|3,0,0]=4 519 B14R1.903 NC(=O)c1ccccc1SCCCO 62a_100000162227_100011215043 [0,0,1,0,0,0|3,0,0]=4 520 B14R1.903 NC(=O)c1ccccc1SCCCO 62a_100011215043_100000162227 [0,0,1,0,0,0|3,0,0]=4 521 B14R1.903 O=C(O)c1ccccc1CNCCF 269956a_100015183376_100011217306 [0,0,1,0,0,0|2,0,0]=3 522 B14R1.903 O=C(O)c1ccccc1CNCCO 269956a_100015183376_100000211926 [0,0,1,0,0,0|2,0,0]=3 523 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_100011934791_100000734275 [0,0,1,0,0,0|2,0,0]=3 524 B14R1.903 O=C(O)c1ccccc1SCCCF 62a_202125556159_100011934791 [0,0,1,0,0,0|2,0,0]=3 525 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_100011215043_100000734275 [0,0,1,0,0,0|2,0,0]=3 526 B14R1.903 O=C(O)c1ccccc1SCCCO 62a_202125556159_100011215043 [0,0,1,0,0,0|2,0,0]=3 527 B14R1.903 O=C([O-])c1ccccc1OCCCF 7a_100015234032_100011934791 [0,0,1,0,0,0|2,0,1]=4 528 B14R1.903 O=C([O-])c1ccccc1OCCCO 7a_100015234032_100011215043 [0,0,1,0,0,0|2,0,1]=4 529 B14R1.903 O=CCNCc1ccccc1C(=O)O 269956a_100015183376_200015260668 [0,0,1,0,0,0|2,0,1]=4 530 B14R1.903 [13CH3]OCCCc1ccccc1[N+](=O)[O-] 34a_100000090589_200025704644 [0,0,1,0,0,0|2,0,1]=4 531 B14R1.903 [13CH3]OCCCc1ccccc1[N+](=O)[O-] 7a_100000090589_200025704644 [0,0,1,0,0,0|2,0,1]=4 532 B14R1.939 C=Cc1ccccc1C(=O)CCCC 1458a_100011830265_100000210211 [0,0,1,0,0,0|1,0,2]=4 533 B14R1.939 C=Cc1ccccc1C(C)NCCC 271570a_100011290941_100000741022 [0,0,1,0,0,0|3,0,0]=4 534 B14R1.939 CCCCC(=O)c1ccccc1I=O 1458a_100000032414_100000210211 [0,0,1,0,0,0|1,0,2]=4 535 B16R3.52766 O=C1CC(c2c1cccc2)N3CCC3 269982a_100000754969_100010208147 [0,0,0,1,0,0|2,0,0]=3 536 B16R3.52766 O=C1OC(c2c1cccc2)N3CCC3 269982a_100000754969_100009813457 [0,0,0,1,0,0|1,0,0]=2 537 B16R3.52767 O=C1CC(c2c1cccc2)SC3CC3 62a_100010208147_100000211595 [0,0,0,1,0,0|2,0,0]=3 538 B16R2.1054 CCCCc1cc(=O)c2ccccc2[nH]1 271570a_100020621405_100000090176 [0,0,0,0,0,1|1,0,1]=3 539 B16R2.1054 CCCCc1cc(=O)n2ccccc2n1 271570a_100020621405_100000707704 [0,0,0,0,0,1|2,0,1]=4 540 B16R2.1054 CCCCc1cc(c2ccccc2c1)N 271570a_100020621405_100010171453 [0,0,0,0,0,1|2,0,1]=4 541 B16R2.1054 CCCCc1cc(c2ccccc2c1)O 271570a_100020621405_100010089979 [0,0,0,0,0,1|1,0,2]=4 542 B16R2.1054 CCCCc1cc(c2ccccc2n1)C 271570a_100020621405_100012354972 [0,0,0,0,0,1|2,0,1]=4 543 B16R2.1054 CCCCc1cc(c2ccccc2n1)N 271570a_100020621405_100010197925 [0,0,0,0,0,1|2,0,1]=4 544 B16R2.1054 CCCCc1cc2ccccc2c(n1)N 271570a_100020621405_100009957331 [0,0,0,0,0,1|2,0,1]=4 545 B16R2.1054 CCCCc1nc(c2ccccc2n1)C 271570a_100020621405_100000046098 [0,0,0,0,0,1|2,0,1]=4 546 B16R2.1054 CCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210303_100000090176 [0,0,0,0,0,1|2,0,1]=4 547 B16R2.1054 CCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210303_200015811170 [0,0,0,0,0,1|2,0,1]=4 548 B16R2.1054 CCNCc1nc2ccccc2c(=O)[nH]1 2230a_100015525214_100000182789 [0,0,0,0,0,1|2,0,1]=4 549 B16R2.12192 CCCCc1c[nH]c(=O)c2c1ccnc2 271570a_100020621405_100010090797 [0,0,0,0,0,1|2,0,1]=4 550 B16R2.12192 CCCCc1ccc(c2c1cccc2)Br 271570a_100020621405_100012339872 [0,0,0,0,0,1|2,0,1]=4 551 B16R2.12192 CCCCc1ccc(c2c1cccc2)C 271570a_100020621405_100011215156 [0,0,0,0,0,1|2,0,1]=4 552 B16R2.12192 CCCCc1ccc(c2c1cccc2)F 271570a_100020621405_100011218216 [0,0,0,0,0,1|2,0,1]=4 553 B16R2.12192 CCCCc1ccc(c2c1cccc2)N 271570a_100020621405_100000766797 [0,0,0,0,0,1|2,0,1]=4 554 B16R2.12192 CCCCc1ccc(c2c1cccc2)O 271570a_100020621405_100000186334 [0,0,0,0,0,1|1,0,2]=4 555 B16R2.12192 CCCCc1cnc(c2c1cccc2)C 271570a_100020621405_100010239772 [0,0,0,0,0,1|2,0,1]=4 556 B16R2.12192 CCCCc1cnc(c2c1cccc2)N 271570a_100020621405_100010158575 [0,0,0,0,0,1|2,0,1]=4 557 B16R2.12192 CCCCc1cnc(c2c1cccc2)O 271570a_100020621405_100009816523 [0,0,0,0,0,1|1,0,2]=4 558 B16R2.12192 CCCCc1n[nH]c(=O)c2c1cccc2 271570a_100020621405_100010235092 [0,0,0,0,0,1|1,0,1]=3 559 B16R2.12192 CCCCc1n[nH]c(=O)c2c1cccn2 271570a_100020621405_100021647086 [0,0,0,0,0,1|2,0,1]=4 560 B16R2.12192 CCCCc1n[nH]c(=O)c2c1nccc2 271570a_100020621405_200021304518 [0,0,0,0,0,1|2,0,1]=4 561 B16R2.12192 CCCCc1ncc(c2c1cccc2)C 271570a_100020621405_100000112005 [0,0,0,0,0,1|2,0,1]=4 562 B16R2.12192 CCCCc1ncc(c2c1cccc2)N 271570a_100020621405_200009868590 [0,0,0,0,0,1|2,0,1]=4 563 B16R2.12192 CCCCc1ncc(c2c1cccc2)O 271570a_100020621405_100000067196 [0,0,0,0,0,1|1,0,2]=4 564 B16R2.12192 CCCCc1nnc(c2c1cccc2)C 271570a_100020621405_100000189618 [0,0,0,0,0,1|2,0,1]=4 565 B16R2.12192 CCCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000210303 [0,0,0,0,0,1|2,0,0]=3 566 B16R2.12192 CCCSc1n[nH]c(=O)c2c1cccc2 62a_100000210303_100010235092 [0,0,0,0,0,1|2,0,1]=4 567 B16R2.12192 CCNCc1c[nH]c(=O)c2c1cccc2 270004a_100015525214_100009868339 [0,0,0,0,0,1|2,0,1]=4 568 B16R2.12192 CCNN=C1COC(=O)c2c1cccc2 4a_100000756455_200010632819 [0,0,0,0,0,1|2,0,1]=4 569 B16R2.12192 O=C1CCC(c2c1cccc2)OCCF 7a_100000100557_100011217306 [0,0,0,0,0,1|3,0,0]=4 570 B16R2.12192 O=C1CCC(c2c1cccc2)OCCO 7a_100000100557_100000211926 [0,0,0,0,0,1|3,0,0]=4 571 B16R2.12202 CCCCc1cc(=O)[nH]c2c1cccc2 271570a_100020621405_100000075698 [0,0,0,0,0,1|1,0,1]=3 572 B16R2.12202 CCCCc1cc(=O)[nH]c2c1cccn2 271570a_100020621405_100010499609 [0,0,0,0,0,1|2,0,1]=4 573 B16R2.12202 CCCCc1cc(cc2c1cccc2)N 271570a_100020621405_100010089974 [0,0,0,0,0,1|2,0,1]=4 574 B16R2.12202 CCCCc1cc(cc2c1cccc2)O 271570a_100020621405_100010001680 [0,0,0,0,0,1|1,0,2]=4 575 B16R2.12202 CCCCc1cc(nc2c1cccc2)C 271570a_100020621405_100000764982 [0,0,0,0,0,1|2,0,1]=4 576 B16R2.12202 CCCCc1nc(cc2c1cccc2)C 271570a_100020621405_100000698243 [0,0,0,0,0,1|2,0,1]=4 577 B16R2.12202 CCCCc1nc(cc2c1cccc2)N 271570a_100020621405_100009814382 [0,0,0,0,0,1|2,0,1]=4 578 B16R2.12202 CCCCc1nc(nc2c1cccc2)C 271570a_100020621405_100000230251 [0,0,0,0,0,1|2,0,1]=4 579 B16R2.12202 CCCSc1cc(=O)[nH]c2c1cccc2 62a_100000210303_100000075698 [0,0,0,0,0,1|2,0,1]=4 580 B13R1.24 C#CCCCC(=O)c1ccccc1 1458a_100000185807_100000731252 [1,0,1,0,0,0|0,0,2]=4 581 B13R1.24 C=CCCCC(=O)c1ccccc1 1458a_100000185807_100000757094 [1,0,1,0,0,0|0,0,2]=4 582 B13R1.24 CC/C=C\CC(=O)c1ccccc1 1458a_100000185807_100103147603 [1,0,1,0,0,0|0,0,2]=4 583 B13R1.24 CCC#CCC(=O)c1ccccc1 1458a_100000185807_100009813939 [1,0,1,0,0,0|0,0,2]=4 584 B13R1.24 CCCCCC(=O)c1ccccc1 1458a_100000185807_100000210326 [1,0,1,0,0,0|0,0,0]=2 585 B13R1.24 CCCCCN(C)c1ccccc1 2230a_100000210012_100000210326 [1,0,1,0,0,0|2,0,0]=4 586 B13R1.24 CCCCCN(C)c1ccccc1 2230a_200000219563_200000210301 [1,0,1,0,0,0|2,0,0]=4 587 B13R1.24 CCCCCN(C)c1ccccc1 269982a_100000210012_100000210215 [1,0,1,0,0,0|2,0,0]=4 588 B13R1.24 CCCCCN(C)c1ccccc1 269982a_200000219563_200000210301 [1,0,1,0,0,0|2,0,0]=4 589 B13R1.24 CCCCCN(C)c1ccccc1 34a_100000210012_100000718602 [1,0,1,0,0,0|2,0,0]=4 590 B13R1.24 CCCCCN(C)c1ccccc1 34a_200000219563_200000210301 [1,0,1,0,0,0|2,0,0]=4 591 B13R1.24 CCCCCN(C)c1ccccc1 7a_200000219563_200000210301 [1,0,1,0,0,0|2,0,0]=4 592 B13R1.24 CCCCCN([13CH3])c1ccccc1 2230a_200000219563_200025704644 [1,0,1,0,0,0|2,0,0]=4 593 B13R1.24 CCCCCN([13CH3])c1ccccc1 269982a_200000219563_200025704644 [1,0,1,0,0,0|2,0,0]=4 594 B13R1.24 CCCCCN([13CH3])c1ccccc1 34a_200000219563_200025704644 [1,0,1,0,0,0|2,0,0]=4 595 B13R1.24 CCCCCN([13CH3])c1ccccc1 7a_200000219563_200025704644 [1,0,1,0,0,0|2,0,0]=4 596 B13R1.24 CCCCNC(=O)c1ccccc1 11a_100000102301_100000185807 [1,0,1,0,0,0|1,0,0]=3 597 B13R1.24 CCCCNC(=O)c1ccccc1 1626a_100000102301_100000185807 [1,0,1,0,0,0|1,0,0]=3 598 B13R1.24 CCCCNC(=O)c1ccccc1 240690a_100000102301_100000185807 [1,0,1,0,0,0|1,0,0]=3 599 B13R1.24 CCCCNC(=O)c1ccccc1 527a_100000102301_100000185807 [1,0,1,0,0,0|1,0,0]=3 600 B13R1.24 CCCCOC(C)c1ccccc1 34a_100000210227_100000211855 [1,0,1,0,0,0|1,0,1]=4 601 B13R1.24 CCCCOC(C)c1ccccc1 7a_100000210227_100000230085 [1,0,1,0,0,0|1,0,1]=4 602 B13R1.24 CCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210210 [1,0,1,0,0,0|1,0,1]=4 603 B13R1.24 CCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210211 [1,0,1,0,0,0|1,0,1]=4 604 B13R1.24 CCCNNC(=O)c1ccccc1 22a_100000740057_100000185807 [1,0,1,0,0,0|2,0,0]=4 605 B13R1.24 CCCOCC(=O)c1ccccn1 34a_100000210258_100000027445 [1,0,1,0,0,0|2,0,0]=4 606 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000210303_100000211460 [1,0,1,0,0,0|1,0,0]=3 607 B13R1.24 CCCSCC(=O)c1ccccc1 62a_100000211460_100000210303 [1,0,1,0,0,0|1,0,0]=3 608 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000027445_100000210303 [1,0,1,0,0,0|2,0,0]=4 609 B13R1.24 CCCSCC(=O)c1ccccn1 62a_100000210303_100000027445 [1,0,1,0,0,0|2,0,0]=4 610 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000210303_100000757877 [1,0,1,0,0,0|2,0,0]=4 611 B13R1.24 CCCSCC(=O)c1cccnc1 62a_100000757877_100000210303 [1,0,1,0,0,0|2,0,0]=4 612 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000027454_100000210303 [1,0,1,0,0,0|2,0,0]=4 613 B13R1.24 CCCSCC(=O)c1ccncc1 62a_100000210303_100000027454 [1,0,1,0,0,0|2,0,0]=4 614 B13R1.24 CCCSCS(=O)c1ccccc1 62a_100000210303_100000031784 [1,0,1,0,0,0|2,0,0]=4 615 B13R1.24 CCNCCC(=O)c1ccccc1 2230a_100015525214_100000750707 [1,0,1,0,0,0|1,0,0]=3 616 B13R1.24 CCNCCS(=O)c1ccccc1 2230a_100015525214_100000740319 [1,0,1,0,0,0|2,0,0]=4 617 B13R1.24 CCOCCC(=O)c1ccccc1 1458a_100000185807_100011215890 [1,0,1,0,0,0|1,0,0]=3 618 B13R1.24 CCSCCC(=O)c1ccccc1 1458a_100000185807_100000757381 [1,0,1,0,0,0|1,0,0]=3 619 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000210202_100000750707 [1,0,1,0,0,0|1,0,0]=3 620 B13R1.24 CCSCCC(=O)c1ccccc1 62a_100000750707_100000210202 [1,0,1,0,0,0|1,0,0]=3 621 B13R1.24 CCSCCS(=O)c1ccccc1 62a_100000210202_100000740319 [1,0,1,0,0,0|2,0,0]=4 622 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000073877_100000210202 [1,0,1,0,0,0|1,0,0]=3 623 B13R1.24 CCSCOC(=O)c1ccccc1 62a_100000210202_100000073877 [1,0,1,0,0,0|1,0,0]=3 624 B13R1.24 CNCCCC(=O)c1ccccc1 2230a_106832991635_100000211006 [1,0,1,0,0,0|1,0,0]=3 625 B13R1.24 CNCCCC(=O)c1ccccc1 7a_106832991635_100000211006 [1,0,1,0,0,0|1,0,0]=3 626 B13R1.24 CNCCNC(=O)c1ccccc1 2230a_100000736134_200000210301 [1,0,1,0,0,0|2,0,0]=4 627 B13R1.24 CNCCNC(=O)c1ccccc1 7a_106832991635_200011215302 [1,0,1,0,0,0|2,0,0]=4 628 B13R1.24 CNCCOC(=O)c1ccccc1 34a_100102657272_100009812718 [1,0,1,0,0,0|1,0,0]=3 629 B13R1.24 CNCCOC(=O)c1ccccc1 7a_106832991635_100000184176 [1,0,1,0,0,0|1,0,0]=3 630 B13R1.24 COCCCC(=O)c1ccccc1 1458a_100000185807_100000740836 [1,0,1,0,0,0|1,0,0]=3 631 B13R1.24 COCCNC(=O)c1ccccc1 1626a_100000209980_100000185807 [1,0,1,0,0,0|2,0,0]=4 632 B13R1.24 COCCNC(=O)c1ccccc1 240690a_100000209980_100000185807 [1,0,1,0,0,0|2,0,0]=4 633 B13R1.24 COCCNC(=O)c1ccccc1 34a_200000158897_200000210301 [1,0,1,0,0,0|2,0,0]=4 634 B13R1.24 COCCNC(=O)c1ccccc1 527a_100000209980_100000185807 [1,0,1,0,0,0|2,0,0]=4 635 B13R1.24 COCCNC(=O)c1ccccc1 7a_200000158897_200000210301 [1,0,1,0,0,0|2,0,0]=4 636 B13R1.24 COCCOC(=O)c1ccccc1 34a_100138415774_100009812718 [1,0,1,0,0,0|1,0,0]=3 637 B13R1.24 COCCOC(=O)c1ccccc1 7a_100000025465_200000210301 [1,0,1,0,0,0|1,0,0]=3 638 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000211460_100000766300 [1,0,1,0,0,0|2,0,0]=4 639 B13R1.24 COCSCC(=O)c1ccccc1 62a_100000766300_100000211460 [1,0,1,0,0,0|2,0,0]=4 640 B13R1.24 CSCCCC(=O)c1ccccc1 62a_100000211006_200000210301 [1,0,1,0,0,0|1,0,0]=3 641 B13R1.24 CSCCCC(=O)c1ccccc1 62a_200000210301_100000211006 [1,0,1,0,0,0|1,0,0]=3 642 B13R1.24 CSCCNC(=O)c1ccccc1 11a_100020590264_100000185807 [1,0,1,0,0,0|2,0,0]=4 643 B13R1.24 CSCCNC(=O)c1ccccc1 1626a_100020590264_100000185807 [1,0,1,0,0,0|2,0,0]=4 644 B13R1.24 CSCCNC(=O)c1ccccc1 240690a_100020590264_100000185807 [1,0,1,0,0,0|2,0,0]=4 645 B13R1.24 CSCCNC(=O)c1ccccc1 527a_100020590264_100000185807 [1,0,1,0,0,0|2,0,0]=4 646 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200000210301_200011215302 [1,0,1,0,0,0|2,0,0]=4 647 B13R1.24 CSCCNC(=O)c1ccccc1 62a_200011215302_200000210301 [1,0,1,0,0,0|2,0,0]=4 648 B13R1.24 CSCCOC(=O)c1ccccc1 62a_100009812718_200000210301 [1,0,1,0,0,0|1,0,0]=3 649 B13R1.24 CSCCOC(=O)c1ccccc1 62a_200000210301_100009812718 [1,0,1,0,0,0|1,0,0]=3 650 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100000211460_100011218213 [1,0,1,0,0,0|2,0,0]=4 651 B13R1.24 CSCSCC(=O)c1ccccc1 62a_100011218213_100000211460 [1,0,1,0,0,0|2,0,0]=4 652 B13R1.24 N#CCCCC(=O)c1ccccc1 1458a_100000185807_100000211468 [1,0,1,0,0,0|1,0,1]=4 653 B13R1.24 O=C(CCCCF)c1ccccc1 1458a_100000185807_100000729493 [1,0,1,0,0,0|1,0,0]=3 654 B13R1.24 O=C(CCCCO)c1ccccc1 1458a_100000185807_100000210776 [1,0,1,0,0,0|1,0,0]=3 655 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100000750707_100015361967 [1,0,1,0,0,0|2,0,0]=4 656 B13R1.24 O=C(CCSCF)c1ccccc1 62a_100015361967_100000750707 [1,0,1,0,0,0|2,0,0]=4 657 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100000211460_100011217306 [1,0,1,0,0,0|2,0,0]=4 658 B13R1.24 O=C(CSCCF)c1ccccc1 62a_100011217306_100000211460 [1,0,1,0,0,0|2,0,0]=4 659 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211460_100000211926 [1,0,1,0,0,0|2,0,0]=4 660 B13R1.24 O=C(CSCCO)c1ccccc1 62a_100000211926_100000211460 [1,0,1,0,0,0|2,0,0]=4 661 B13R1.24 O=C(NCCCF)c1ccccc1 11a_100015189416_100000185807 [1,0,1,0,0,0|2,0,0]=4 662 B13R1.24 O=C(NCCCF)c1ccccc1 1626a_100015189416_100000185807 [1,0,1,0,0,0|2,0,0]=4 663 B13R1.24 O=C(NCCCF)c1ccccc1 240690a_100015189416_100000185807 [1,0,1,0,0,0|2,0,0]=4 664 B13R1.24 O=C(NCCCF)c1ccccc1 527a_100015189416_100000185807 [1,0,1,0,0,0|2,0,0]=4 665 B13R1.24 O=C(NCCCO)c1ccccc1 240690a_100000182051_100000185807 [1,0,1,0,0,0|2,0,0]=4 666 B13R1.24 O=C(NCCCO)c1ccccc1 527a_100000182051_100000185807 [1,0,1,0,0,0|2,0,0]=4 667 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100000073877_100015361967 [1,0,1,0,0,0|2,0,0]=4 668 B13R1.24 O=C(OCSCF)c1ccccc1 62a_100015361967_100000073877 [1,0,1,0,0,0|2,0,0]=4 669 B13R1.24 [13CH3]NCCNC(=O)c1ccccc1 2230a_100000736134_200025704644 [1,0,1,0,0,0|2,0,0]=4 670 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 34a_200000158897_200025704644 [1,0,1,0,0,0|2,0,0]=4 671 B13R1.24 [13CH3]OCCNC(=O)c1ccccc1 7a_200000158897_200025704644 [1,0,1,0,0,0|2,0,0]=4 672 B13R1.24 [13CH3]OCCOC(=O)c1ccccc1 7a_100000025465_200025704644 [1,0,1,0,0,0|1,0,0]=3 673 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_100000211006_200025704644 [1,0,1,0,0,0|1,0,0]=3 674 B13R1.24 [13CH3]SCCCC(=O)c1ccccc1 62a_200025704644_100000211006 [1,0,1,0,0,0|1,0,0]=3 675 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200011215302_200025704644 [1,0,1,0,0,0|2,0,0]=4 676 B13R1.24 [13CH3]SCCNC(=O)c1ccccc1 62a_200025704644_200011215302 [1,0,1,0,0,0|2,0,0]=4 677 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_100009812718_200025704644 [1,0,1,0,0,0|1,0,0]=3 678 B13R1.24 [13CH3]SCCOC(=O)c1ccccc1 62a_200025704644_100009812718 [1,0,1,0,0,0|1,0,0]=3 679 B13R1.28 BrCCCCOCc1ccccc1 34a_100011216708_100015291786 [1,0,1,0,0,0|1,0,1]=4 680 B13R1.28 CCCCCC=Cc1ccccc1 271570a_100000062253_100000210277 [1,0,1,0,0,0|1,0,0]=3 681 B13R1.28 CCCCCC=Cc1ccccn1 271570a_100000062253_100011216584 [1,0,1,0,0,0|2,0,0]=4 682 B13R1.28 CCCCCC=Cc1cccnc1 271570a_100000062253_100000752921 [1,0,1,0,0,0|2,0,0]=4 683 B13R1.28 CCCCCC=Cc1ccncc1 271570a_100000062253_100000035832 [1,0,1,0,0,0|2,0,0]=4 684 B13R1.28 CCCCCCNc1ccccc1 34a_100000106764_100000210314 [1,0,1,0,0,0|2,0,0]=4 685 B13R1.28 CCCCCCOc1ccccc1 34a_100000210340_100000210314 [1,0,1,0,0,0|2,0,0]=4 686 B13R1.28 CCCCCCOc1ccccc1 7a_100000210340_100000210314 [1,0,1,0,0,0|2,0,0]=4 687 B13R1.28 CCCCCCSc1ccccc1 62a_100000210314_100000041952 [1,0,1,0,0,0|2,0,0]=4 688 B13R1.28 CCCCCCSc1ccccc1 62a_100000719477_100000210757 [1,0,1,0,0,0|2,0,0]=4 689 B13R1.28 CCCCCNCc1ccccc1 207a_100000209983_100015611070 [1,0,1,0,0,0|1,0,1]=4 690 B13R1.28 CCCCCNCc1ccccc1 2230a_100000209983_100015291786 [1,0,1,0,0,0|1,0,1]=4 691 B13R1.28 CCCCCNCc1ccccc1 2230a_100015324214_100000210326 [1,0,1,0,0,0|1,0,1]=4 692 B13R1.28 CCCCCNCc1ccccc1 270004a_100000209983_100015611070 [1,0,1,0,0,0|1,0,1]=4 693 B13R1.28 CCCCCNCc1ccccc1 34a_100015324214_100000718602 [1,0,1,0,0,0|1,0,1]=4 694 B13R1.28 CCCCCOCc1ccccc1 34a_100000210253_100015291786 [1,0,1,0,0,0|0,0,1]=3 695 B13R1.28 CCCCCOCc1ccccc1 34a_100000210790_100000718602 [1,0,1,0,0,0|0,0,1]=3 696 B13R1.28 CCCCCOCc1ccccc1 7a_100000210253_100000211182 [1,0,1,0,0,0|0,0,1]=3 697 B13R1.28 CCCCCOCc1ccccc1 7a_100000210790_100000210326 [1,0,1,0,0,0|0,0,1]=3 698 B13R1.28 CCCCCOCc1ccccn1 34a_100000210253_100000721315 [1,0,1,0,0,0|1,0,1]=4 699 B13R1.28 CCCCCOCc1ccccn1 7a_100000210253_100000721315 [1,0,1,0,0,0|1,0,1]=4 700 B13R1.28 CCCCCOCc1cccnc1 34a_100000210253_100000733263 [1,0,1,0,0,0|1,0,1]=4 701 B13R1.28 CCCCCOCc1cccnc1 7a_100000210253_100000741622 [1,0,1,0,0,0|1,0,1]=4 702 B13R1.28 CCCCCOCc1ccncc1 7a_100000210253_100015193705 [1,0,1,0,0,0|1,0,1]=4 703 B13R1.28 CCCCCSCc1ccccc1 62a_100000210326_100015291786 [1,0,1,0,0,0|0,1,1]=4 704 B13R1.28 CCCCCSCc1ccccc1 62a_100000211182_100000210326 [1,0,1,0,0,0|0,1,1]=4 705 B13R1.28 CCCCNN=Cc1ccccc1 4a_100025702795_100015611070 [1,0,1,0,0,0|2,0,0]=4 706 B13R1.28 CCCNC/C=C/c1ccccc1 2230a_100020603302_100000210303 [1,0,1,0,0,0|2,0,0]=4 707 B13R1.28 CCCNC/C=C/c1ccccc1 34a_100020603302_100000210303 [1,0,1,0,0,0|2,0,0]=4 708 B13R1.28 CCCNCC=Cc1ccccc1 270004a_100020643023_100000210105 [1,0,1,0,0,0|2,0,0]=4 709 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210256_100000210303 [1,0,1,0,0,0|2,0,0]=4 710 B13R1.28 CCCOC/C=C/c1ccccc1 34a_100000210258_100016265936 [1,0,1,0,0,0|2,0,0]=4 711 B13R1.28 CCCOCOCc1ccccc1 34a_100000210258_100000763385 [1,0,1,0,0,0|1,0,1]=4 712 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100000210303_100016265936 [1,0,1,0,0,0|2,0,0]=4 713 B13R1.28 CCCSC/C=C/c1ccccc1 62a_100016265936_100000210303 [1,0,1,0,0,0|2,0,0]=4 714 B13R1.28 CCCSCOCc1ccccc1 62a_100000210303_100000763385 [1,0,1,0,0,0|1,0,1]=4 715 B13R1.28 CCCSCOCc1ccccc1 62a_100000763385_100000210303 [1,0,1,0,0,0|1,0,1]=4 716 B13R1.28 CCNCCOCc1ccccc1 2230a_100000753106_100000210202 [1,0,1,0,0,0|1,0,1]=4 717 B13R1.28 CCNCCOCc1ccccc1 2230a_100015525214_100000234347 [1,0,1,0,0,0|1,0,1]=4 718 B13R1.28 CCNCCOCc1ccccc1 34a_100000753106_100000210202 [1,0,1,0,0,0|1,0,1]=4 719 B13R1.28 CCOCCOCc1ccccc1 34a_100000210136_100015291786 [1,0,1,0,0,0|1,0,1]=4 720 B13R1.28 CCOCCOCc1ccccc1 34a_100000210790_100000210147 [1,0,1,0,0,0|1,0,1]=4 721 B13R1.28 CCOCCOCc1ccccc1 34a_100000759325_100000210202 [1,0,1,0,0,0|1,0,1]=4 722 B13R1.28 CCOCCOCc1ccccc1 34a_100121572206_100000234347 [1,0,1,0,0,0|1,0,1]=4 723 B13R1.28 CCOCCOCc1ccccc1 7a_100000210136_100000211182 [1,0,1,0,0,0|1,0,1]=4 724 B13R1.28 CCOCCOCc1ccccc1 7a_100000210790_100011215890 [1,0,1,0,0,0|1,0,1]=4 725 B13R1.28 CCOCCOCc1ccccc1 7a_100000759325_100000210202 [1,0,1,0,0,0|1,0,1]=4 726 B13R1.28 CCSCCOCc1ccccc1 34a_100000210790_100000757381 [1,0,1,0,0,0|1,0,1]=4 727 B13R1.28 CCSCCOCc1ccccc1 34a_100000212035_100015291786 [1,0,1,0,0,0|1,0,1]=4 728 B13R1.28 CCSCCOCc1ccccc1 62a_100000210202_100000234347 [1,0,1,0,0,0|1,0,1]=4 729 B13R1.28 CCSCCOCc1ccccc1 62a_100000234347_100000210202 [1,0,1,0,0,0|1,0,1]=4 730 B13R1.28 CCSCCOCc1ccccc1 7a_100000210790_100000757381 [1,0,1,0,0,0|1,0,1]=4 731 B13R1.28 CCSCCOCc1ccccc1 7a_100000212035_100000211182 [1,0,1,0,0,0|1,0,1]=4 732 B13R1.28 CNCCCOCc1ccccc1 2230a_106832991635_100011215529 [1,0,1,0,0,0|1,0,1]=4 733 B13R1.28 CNCCCOCc1ccccc1 2230a_200000206031_200000210301 [1,0,1,0,0,0|1,0,1]=4 734 B13R1.28 CNCCCOCc1ccccc1 34a_100000213112_100015291786 [1,0,1,0,0,0|1,0,1]=4 735 B13R1.28 CNCCCOCc1ccccc1 34a_100102657272_100011215529 [1,0,1,0,0,0|1,0,1]=4 736 B13R1.28 CNCCCOCc1ccccc1 34a_200000206031_200000210301 [1,0,1,0,0,0|1,0,1]=4 737 B13R1.28 CNCCCOCc1ccccc1 7a_106832991635_100011215529 [1,0,1,0,0,0|1,0,1]=4 738 B13R1.28 COCCCOCc1ccccc1 34a_100000210790_100000740836 [1,0,1,0,0,0|1,0,1]=4 739 B13R1.28 COCCCOCc1ccccc1 34a_100000691849_200000210301 [1,0,1,0,0,0|1,0,1]=4 740 B13R1.28 COCCCOCc1ccccc1 34a_100000740835_100015291786 [1,0,1,0,0,0|1,0,1]=4 741 B13R1.28 COCCCOCc1ccccc1 34a_100138415774_100011215529 [1,0,1,0,0,0|1,0,1]=4 742 B13R1.28 COCCCOCc1ccccc1 7a_100000210790_100000740836 [1,0,1,0,0,0|1,0,1]=4 743 B13R1.28 COCCCOCc1ccccc1 7a_100000691849_200000210301 [1,0,1,0,0,0|1,0,1]=4 744 B13R1.28 CSCCCOCc1ccccc1 34a_100000690336_100015291786 [1,0,1,0,0,0|1,0,1]=4 745 B13R1.28 CSCCCOCc1ccccc1 62a_100011215529_200000210301 [1,0,1,0,0,0|1,0,1]=4 746 B13R1.28 CSCCCOCc1ccccc1 62a_200000210301_100011215529 [1,0,1,0,0,0|1,0,1]=4 747 B13R1.28 CSCCCOCc1ccccc1 7a_100000690336_100000211182 [1,0,1,0,0,0|1,0,1]=4 748 B13R1.28 ClCCCCOCc1ccccc1 34a_100000210776_100015291786 [1,0,1,0,0,0|1,0,1]=4 749 B13R1.28 ClCCCCOCc1ccccc1 7a_100000210776_100000211182 [1,0,1,0,0,0|1,0,1]=4 750 B13R1.28 FCCCCOCc1ccccc1 34a_100000210790_100000729493 [1,0,1,0,0,0|1,0,1]=4 751 B13R1.28 FCCCCOCc1ccccc1 34a_100011995726_100015291786 [1,0,1,0,0,0|1,0,1]=4 752 B13R1.28 FCCCCOCc1ccccc1 7a_100000210790_100000729493 [1,0,1,0,0,0|1,0,1]=4 753 B13R1.28 FCCCCOCc1ccccc1 7a_100011995726_100000211182 [1,0,1,0,0,0|1,0,1]=4 754 B13R1.28 ICCCCOCc1ccccc1 34a_200012148704_100015291786 [1,0,1,0,0,0|1,0,1]=4 755 B13R1.28 NCCCCOCc1ccccc1 34a_100000750430_100015291786 [1,0,1,0,0,0|1,0,1]=4 756 B13R1.28 OCCCCOCc1ccccc1 34a_100000210790_100011216708 [1,0,1,0,0,0|1,0,1]=4 757 B13R1.28 OCCCCOCc1ccccc1 7a_100000210790_100000210776 [1,0,1,0,0,0|1,0,1]=4 758 B13R1.28 [13CH3]NCCCOCc1ccccc1 2230a_200000206031_200025704644 [1,0,1,0,0,0|1,0,1]=4 759 B13R1.28 [13CH3]NCCCOCc1ccccc1 34a_200000206031_200025704644 [1,0,1,0,0,0|1,0,1]=4 760 B13R1.28 [13CH3]OCCCOCc1ccccc1 34a_100000691849_200025704644 [1,0,1,0,0,0|1,0,1]=4 761 B13R1.28 [13CH3]OCCCOCc1ccccc1 7a_100000691849_200025704644 [1,0,1,0,0,0|1,0,1]=4 762 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_100011215529_200025704644 [1,0,1,0,0,0|1,0,1]=4 763 B13R1.28 [13CH3]SCCCOCc1ccccc1 62a_200025704644_100011215529 [1,0,1,0,0,0|1,0,1]=4 764 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [1,0,1,0,0,0|2,0,0]=4 765 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [1,0,1,0,0,0|2,0,0]=4 766 B13R1.26 C=CC(SCCC)c1ccccc1 62a_100000210303_200000085779 [1,0,1,0,0,0|2,0,0]=4 767 B13R1.26 C=CC(SCCC)c1ccccc1 62a_200000085779_100000210303 [1,0,1,0,0,0|2,0,0]=4 768 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [1,0,1,0,0,0|1,0,1]=4 769 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [1,0,1,0,0,0|0,0,1]=3 770 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [1,0,1,0,0,0|0,0,1]=3 771 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [1,0,1,0,0,0|0,0,1]=3 772 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [1,0,1,0,0,0|0,0,1]=3 773 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [1,0,1,0,0,0|1,0,1]=4 774 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [1,0,1,0,0,0|1,0,1]=4 775 B13R1.398 CCCC(OCC)c1ccccc1 34a_100000747916_100000210202 [1,0,1,0,0,0|1,0,1]=4 776 B13R1.398 CCCC(OCC)c1ccccc1 7a_100000747916_100000210202 [1,0,1,0,0,0|1,0,1]=4 777 B13R1.398 CCCC(OCF)c1ccccc1 34a_100000747916_100015361967 [1,0,1,0,0,0|1,0,1]=4 778 B13R1.398 CCCC(OCF)c1ccccc1 7a_100000747916_100015361967 [1,0,1,0,0,0|1,0,1]=4 779 B13R1.398 CCCN(CC=O)c1ccccc1 2230a_200011218496_200015260668 [1,0,1,0,0,0|2,0,0]=4 780 B13R1.398 CCCN(CC=O)c1ccccc1 269982a_200011218496_200015260668 [1,0,1,0,0,0|2,0,0]=4 781 B13R1.398 CCCN(CC=O)c1ccccc1 34a_200011218496_200009817547 [1,0,1,0,0,0|2,0,0]=4 782 B13R1.84 C=Cc1ccccc1CCCCO 271570a_100011290941_100012092669 [1,0,1,0,0,0|2,0,0]=4 783 B13R1.84 C=Cc1ccccc1CNCCC 271570a_100011290941_100000196483 [1,0,1,0,0,0|2,0,0]=4 784 B13R1.84 C=Cc1ccccc1COCCC 34a_200010883148_100000210303 [1,0,1,0,0,0|2,0,0]=4 785 B13R1.84 C=Cc1ccccc1COCCC 7a_200010883148_100000210303 [1,0,1,0,0,0|2,0,0]=4 786 B13R1.84 C=Cc1ccccc1CSCCC 271570a_100011290941_200000173363 [1,0,1,0,0,0|2,0,0]=4 787 B13R1.84 C=Cc1ccccc1NCCCC 34a_100012022501_100000210210 [1,0,1,0,0,0|2,0,0]=4 788 B13R1.84 C=Cc1ccccc1OCCCC 271570a_100011290941_100000230755 [1,0,1,0,0,0|2,0,0]=4 789 B13R1.84 C=Cc1ccccc1SCCCC 62a_100000210211_100011218376 [1,0,1,0,0,0|2,0,0]=4 790 B13R1.84 C=Cc1ccccc1SCCCC 62a_100011218376_100000210210 [1,0,1,0,0,0|2,0,0]=4 791 B13R1.84 CCCC=Cc1ccccc1C=O 271570a_100016258520_100000211189 [1,0,1,0,0,0|0,0,2]=4 792 B13R1.84 CCCCNc1ccccc1CO 34a_100000212039_100000210210 [1,0,1,0,0,0|1,0,1]=4 793 B13R1.84 CCCCOc1ccccc1CO 34a_100011216872_100000210210 [1,0,1,0,0,0|1,0,1]=4 794 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210073_100000210210 [1,0,1,0,0,0|1,0,0]=3 795 B13R1.84 CCCCSc1ccccc1C=O 62a_100000210211_100000210073 [1,0,1,0,0,0|1,0,0]=3 796 B13R1.84 CCCCSc1ccccc1CO 62a_100000187465_100000210210 [1,0,1,0,0,0|1,0,1]=4 797 B13R1.84 CCCCSc1ccccc1CO 62a_100000210211_100000187465 [1,0,1,0,0,0|1,0,1]=4 798 B13R1.84 CCCCSc1cccnc1C=O 62a_100000210211_100011934733 [1,0,1,0,0,0|2,0,0]=4 799 B13R1.84 CCCCSc1cccnc1C=O 62a_100011934733_100000210210 [1,0,1,0,0,0|2,0,0]=4 800 B13R1.84 CCCCSc1ccncc1C=O 62a_100000050567_100000210210 [1,0,1,0,0,0|2,0,0]=4 801 B13R1.84 CCCCSc1ccncc1C=O 62a_100000210211_100000050567 [1,0,1,0,0,0|2,0,0]=4 802 B13R1.84 CCCCSc1cnccc1C=O 62a_100000210211_100011934409 [1,0,1,0,0,0|2,0,0]=4 803 B13R1.84 CCCCSc1cnccc1C=O 62a_100011934409_100000210210 [1,0,1,0,0,0|2,0,0]=4 804 B13R1.84 CCCCSc1ncccc1C=O 62a_100000210211_100009816751 [1,0,1,0,0,0|2,0,0]=4 805 B13R1.84 CCCCSc1ncccc1C=O 62a_100009816751_100000210210 [1,0,1,0,0,0|2,0,0]=4 806 B13R1.84 CCCOCc1ccccc1C=O 34a_100000210258_200009853537 [1,0,1,0,0,0|1,0,0]=3 807 B13R1.84 CCCOCc1ccccc1CO 34a_100000210258_100009816955 [1,0,1,0,0,0|1,0,1]=4 808 B13R1.84 CCCSCc1ccccc1C=O 62a_100000210303_200009853537 [1,0,1,0,0,0|1,0,0]=3 809 B13R1.84 CCCSCc1ccccc1C=O 62a_200009853537_100000210303 [1,0,1,0,0,0|1,0,0]=3 810 B13R1.84 CCCSCc1ccccc1CO 62a_100000210303_100009816955 [1,0,1,0,0,0|1,0,1]=4 811 B13R1.84 CCCSCc1ccccc1CO 62a_100009816955_100000210303 [1,0,1,0,0,0|1,0,1]=4 812 B13R1.84 CCNCCc1ccccc1C=O 2230a_100015525214_100010186698 [1,0,1,0,0,0|1,0,0]=3 813 B13R1.84 CCOCCc1ccccc1C=O 34a_100121572206_100010186698 [1,0,1,0,0,0|1,0,0]=3 814 B13R1.84 CCOCSc1ccccc1C=O 62a_100000210073_100000739092 [1,0,1,0,0,0|2,0,0]=4 815 B13R1.84 CCOCSc1ccccc1C=O 62a_100000739092_100000210073 [1,0,1,0,0,0|2,0,0]=4 816 B13R1.84 CCSCCc1ccccc1C=O 62a_100000210202_100010186698 [1,0,1,0,0,0|1,0,0]=3 817 B13R1.84 CCSCCc1ccccc1C=O 62a_100010186698_100000210202 [1,0,1,0,0,0|1,0,0]=3 818 B13R1.84 CNCCOc1ccccc1C=O 2230a_106832991635_100009990610 [1,0,1,0,0,0|2,0,0]=4 819 B13R1.84 CNCCOc1ccccc1C=O 34a_100102657272_100009990610 [1,0,1,0,0,0|2,0,0]=4 820 B13R1.84 CNCCOc1ccccc1C=O 7a_106832991635_100009990610 [1,0,1,0,0,0|2,0,0]=4 821 B13R1.84 COCCOc1ccccc1C=O 34a_100138415774_100009990610 [1,0,1,0,0,0|2,0,0]=4 822 B13R1.84 COCCSc1ccccc1C=O 62a_100000210073_100000233755 [1,0,1,0,0,0|2,0,0]=4 823 B13R1.84 COCCSc1ccccc1C=O 62a_100000233755_100000210073 [1,0,1,0,0,0|2,0,0]=4 824 B13R1.84 COCSCc1ccccc1C=O 62a_100000766300_200009853537 [1,0,1,0,0,0|2,0,0]=4 825 B13R1.84 COCSCc1ccccc1C=O 62a_200009853537_100000766300 [1,0,1,0,0,0|2,0,0]=4 826 B13R1.84 CSCCOc1ccccc1C=O 62a_100009990610_200000210301 [1,0,1,0,0,0|2,0,0]=4 827 B13R1.84 CSCCOc1ccccc1C=O 62a_200000210301_100009990610 [1,0,1,0,0,0|2,0,0]=4 828 B13R1.84 CSCCSc1ccccc1C=O 62a_100000210073_100000751147 [1,0,1,0,0,0|2,0,0]=4 829 B13R1.84 CSCCSc1ccccc1C=O 62a_100000212216_100000210073 [1,0,1,0,0,0|2,0,0]=4 830 B13R1.84 CSCSCc1ccccc1C=O 62a_100011218213_200009853537 [1,0,1,0,0,0|2,0,0]=4 831 B13R1.84 CSCSCc1ccccc1C=O 62a_200009853537_100011218213 [1,0,1,0,0,0|2,0,0]=4 832 B13R1.84 NCCOCc1ccccc1C=O 34a_100000210304_200009853537 [1,0,1,0,0,0|2,0,0]=4 833 B13R1.84 O=Cc1ccccc1CCSCF 62a_100010186698_100015361967 [1,0,1,0,0,0|2,0,0]=4 834 B13R1.84 O=Cc1ccccc1CCSCF 62a_100015361967_100010186698 [1,0,1,0,0,0|2,0,0]=4 835 B13R1.84 O=Cc1ccccc1CNCCF 34a_100000724931_200009853537 [1,0,1,0,0,0|2,0,0]=4 836 B13R1.84 O=Cc1ccccc1CNCCO 2230a_100016997473_200009853537 [1,0,1,0,0,0|2,0,0]=4 837 B13R1.84 O=Cc1ccccc1CNCCO 34a_100016990907_200009853537 [1,0,1,0,0,0|2,0,0]=4 838 B13R1.84 O=Cc1ccccc1COCCBr 34a_100000211926_200009853537 [1,0,1,0,0,0|2,0,0]=4 839 B13R1.84 O=Cc1ccccc1CSCCF 62a_100011217306_200009853537 [1,0,1,0,0,0|2,0,0]=4 840 B13R1.84 O=Cc1ccccc1CSCCF 62a_200009853537_100011217306 [1,0,1,0,0,0|2,0,0]=4 841 B13R1.84 O=Cc1ccccc1CSCCO 62a_100000211926_200009853537 [1,0,1,0,0,0|2,0,0]=4 842 B13R1.84 O=Cc1ccccc1CSCCO 62a_200009853537_100000211926 [1,0,1,0,0,0|2,0,0]=4 843 B13R1.84 O=Cc1ccccc1SCCCF 62a_100000210073_100011934791 [1,0,1,0,0,0|2,0,0]=4 844 B13R1.84 O=Cc1ccccc1SCCCF 62a_100011934791_100000210073 [1,0,1,0,0,0|2,0,0]=4 845 B13R1.84 O=Cc1ccccc1SCCCO 62a_100000210073_100011215043 [1,0,1,0,0,0|2,0,0]=4 846 B13R1.84 O=Cc1ccccc1SCCCO 62a_100011215043_100000210073 [1,0,1,0,0,0|2,0,0]=4 847 B13R1.84 [13CH3]SCCOc1ccccc1C=O 62a_100009990610_200025704644 [1,0,1,0,0,0|2,0,0]=4 848 B13R1.84 [13CH3]SCCOc1ccccc1C=O 62a_200025704644_100009990610 [1,0,1,0,0,0|2,0,0]=4 849 B13R1.572 CCCCc1ccccc1B(O)O 271570a_100020621405_100000693059 [1,0,1,0,0,0|1,0,1]=4 850 B13R1.572 CCCCc1ccccc1C(=O)C 271570a_100020621405_100000751169 [1,0,1,0,0,0|1,0,0]=3 851 B13R1.572 CCCCc1ccccc1C(=O)N 271570a_100020621405_100000162227 [1,0,1,0,0,0|1,0,0]=3 852 B13R1.572 CCCCc1ccccc1C(C)O 271570a_100020621405_100000702211 [1,0,1,0,0,0|1,0,1]=4 853 B13R1.572 CCCCc1ccccc1S(=O)C 271570a_100020621405_100000734199 [1,0,1,0,0,0|2,0,0]=4 854 B13R1.572 CCCCc1cccnc1C(=O)C 271570a_100020621405_100012348690 [1,0,1,0,0,0|2,0,0]=4 855 B13R1.572 CCCCc1cccnc1C(=O)N 271570a_100020621405_200012359670 [1,0,1,0,0,0|2,0,0]=4 856 B13R1.572 CCCCc1ccncc1C(=O)C 271570a_100020621405_100160469449 [1,0,1,0,0,0|2,0,0]=4 857 B13R1.572 CCCCc1ccncc1C(=O)N 271570a_100020621405_100000697804 [1,0,1,0,0,0|2,0,0]=4 858 B13R1.572 CCCCc1cnccc1C(=O)C 271570a_100020621405_100009993184 [1,0,1,0,0,0|2,0,0]=4 859 B13R1.572 CCCCc1cnccc1C(=O)N 271570a_100020621405_100010205435 [1,0,1,0,0,0|2,0,0]=4 860 B13R1.572 CCCCc1ncccc1C(=O)C 271570a_100020621405_100000753718 [1,0,1,0,0,0|2,0,0]=4 861 B13R1.572 CCCCc1ncccc1C(=O)N 271570a_100020621405_100000162199 [1,0,1,0,0,0|2,0,0]=4 862 B13R1.572 CCCNc1ccccc1C(=O)N 34a_100000185089_100000210303 [1,0,1,0,0,0|2,0,0]=4 863 B13R1.572 CCCOc1ccccc1C(=O)C 1458a_100000215688_200000210301 [1,0,1,0,0,0|2,0,0]=4 864 B13R1.572 CCCOc1ccccc1C(=O)N 34a_100000192804_100000210303 [1,0,1,0,0,0|2,0,0]=4 865 B13R1.572 CCCOc1ccccc1C(=O)N 7a_100000192804_100000210303 [1,0,1,0,0,0|2,0,0]=4 866 B13R1.572 CCCOc1ccccc1C(=O)[13CH3] 1458a_100000215688_200025704644 [1,0,1,0,0,0|2,0,0]=4 867 B13R1.572 CCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210303 [1,0,1,0,0,0|1,0,1]=4 868 B13R1.572 CCCSc1ccccc1C(=O)C 1458a_100000217225_200000210301 [1,0,1,0,0,0|2,0,0]=4 869 B13R1.572 CCCSc1ccccc1C(=O)C 62a_100000751169_100000210303 [1,0,1,0,0,0|2,0,0]=4 870 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000162227_100000210303 [1,0,1,0,0,0|2,0,0]=4 871 B13R1.572 CCCSc1ccccc1C(=O)N 62a_100000210303_100000162227 [1,0,1,0,0,0|2,0,0]=4 872 B13R1.572 CCCSc1ccccc1C(=O)O 62a_100000210303_100000734275 [1,0,1,0,0,0|1,0,0]=3 873 B13R1.572 CCCSc1ccccc1C(=O)O 62a_202125556159_100000210303 [1,0,1,0,0,0|1,0,0]=3 874 B13R1.572 CCCSc1ccccc1C(=O)[13CH3] 1458a_100000217225_200025704644 [1,0,1,0,0,0|2,0,0]=4 875 B13R1.572 CCNCc1ccccc1C(=O)O 269956a_100015183376_100000210202 [1,0,1,0,0,0|1,0,0]=3 876 B13R1.572 COCSc1ccccc1C(=O)O 62a_100000766300_100000734275 [1,0,1,0,0,0|2,0,0]=4 877 B13R1.572 COCSc1ccccc1C(=O)O 62a_202125556159_100000766300 [1,0,1,0,0,0|2,0,0]=4 878 B13R1.572 CSCSc1ccccc1C(=O)O 62a_100011218213_100000734275 [1,0,1,0,0,0|2,0,0]=4 879 B13R1.572 CSCSc1ccccc1C(=O)O 62a_202125556159_100011218213 [1,0,1,0,0,0|2,0,0]=4 880 B13R1.572 O=C(O)c1ccccc1CNCF 269956a_100015183376_100015361967 [1,0,1,0,0,0|2,0,0]=4 881 B13R1.572 O=C(O)c1ccccc1SCCF 62a_100011217306_100000734275 [1,0,1,0,0,0|2,0,0]=4 882 B13R1.572 O=C(O)c1ccccc1SCCF 62a_202125556159_100011217306 [1,0,1,0,0,0|2,0,0]=4 883 B13R1.572 O=C(O)c1ccccc1SCCO 62a_100000211926_100000734275 [1,0,1,0,0,0|2,0,0]=4 884 B13R1.572 O=C(O)c1ccccc1SCCO 62a_202125556159_100000211926 [1,0,1,0,0,0|2,0,0]=4 885 B13R1.674 CCNCC(O)c1ccccc1Br 2230a_100011236429_100000210202 [1,0,1,0,0,0|2,0,0]=4 886 B13R1.674 CCNCC(O)c1ccccc1Cl 2230a_200000759403_100000210202 [1,0,1,0,0,0|2,0,0]=4 887 B13R1.674 CCNCC(O)c1ccccc1Cl 34a_200000759403_100000210202 [1,0,1,0,0,0|2,0,0]=4 888 B13R2.2931 CNC1CC(=O)c2c1cccc2 2230a_106832991635_100010208147 [2,0,0,0,0,0|2,0,0]=4 889 B13R2.2931 CNC1CC(=O)c2c1cccc2 7a_106832991635_100010208147 [2,0,0,0,0,0|2,0,0]=4 890 B13R2.2931 CNC1OC(=O)c2c1cccc2 2230a_106832991635_100009813457 [2,0,0,0,0,0|1,0,0]=3 891 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_100010208147_200000210301 [2,0,0,0,0,0|2,0,0]=4 892 B13R2.2931 CSC1CC(=O)c2c1cccc2 62a_200000210301_100010208147 [2,0,0,0,0,0|2,0,0]=4 893 B13R2.2931 CSC1OC(=O)c2c1cccc2 62a_200000210301_100009813457 [2,0,0,0,0,0|1,0,0]=3 894 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_100010208147_200025704644 [2,0,0,0,0,0|2,0,0]=4 895 B13R2.2931 [13CH3]SC1CC(=O)c2c1cccc2 62a_200025704644_100010208147 [2,0,0,0,0,0|2,0,0]=4 896 B13R2.2931 [13CH3]SC1OC(=O)c2c1cccc2 62a_200025704644_100009813457 [2,0,0,0,0,0|1,0,0]=3 897 B15R1.30 CCCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000210757 [0,1,1,0,0,0|1,0,0]=3 898 B15R1.30 CCCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000210757 [0,1,1,0,0,0|1,0,0]=3 899 B15R1.30 CCCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000210757 [0,1,1,0,0,0|1,0,0]=3 900 B15R1.30 CCCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000210757 [0,1,1,0,0,0|1,0,0]=3 901 B15R1.30 CCCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000210757 [0,1,1,0,0,0|1,0,0]=3 902 B15R1.30 CCCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000210757 [0,1,1,0,0,0|1,0,0]=3 903 B15R1.30 CCCCCCC(=O)c1ccc(cc1)O 271570a_203496583355_200011215111 [0,1,1,0,0,0|1,0,0]=3 904 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Br 11a_100000209983_100000185839 [0,1,1,0,0,0|1,0,0]=3 905 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Br 1626a_100000209983_100000185839 [0,1,1,0,0,0|1,0,0]=3 906 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Br 240690a_100000209983_100000185839 [0,1,1,0,0,0|1,0,0]=3 907 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Br 527a_100000209983_100000185839 [0,1,1,0,0,0|1,0,0]=3 908 B15R1.30 CCCCCNC(=O)c1ccc(cc1)C 11a_100000209983_100000188618 [0,1,1,0,0,0|1,0,0]=3 909 B15R1.30 CCCCCNC(=O)c1ccc(cc1)C 1626a_100000209983_100000188618 [0,1,1,0,0,0|1,0,0]=3 910 B15R1.30 CCCCCNC(=O)c1ccc(cc1)C 240690a_100000209983_100000188618 [0,1,1,0,0,0|1,0,0]=3 911 B15R1.30 CCCCCNC(=O)c1ccc(cc1)C 527a_100000209983_100000188618 [0,1,1,0,0,0|1,0,0]=3 912 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Cl 11a_100000209983_100000210187 [0,1,1,0,0,0|1,0,0]=3 913 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Cl 1626a_100000209983_100000210187 [0,1,1,0,0,0|1,0,0]=3 914 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Cl 240690a_100000209983_100000210187 [0,1,1,0,0,0|1,0,0]=3 915 B15R1.30 CCCCCNC(=O)c1ccc(cc1)Cl 527a_100000209983_100000210187 [0,1,1,0,0,0|1,0,0]=3 916 B15R1.30 CCCCCNC(=O)c1ccc(cc1)F 11a_100000209983_100000187176 [0,1,1,0,0,0|1,0,0]=3 917 B15R1.30 CCCCCNC(=O)c1ccc(cc1)F 1626a_100000209983_100000187176 [0,1,1,0,0,0|1,0,0]=3 918 B15R1.30 CCCCCNC(=O)c1ccc(cc1)F 240690a_100000209983_100000187176 [0,1,1,0,0,0|1,0,0]=3 919 B15R1.30 CCCCCNC(=O)c1ccc(cc1)F 527a_100000209983_100000187176 [0,1,1,0,0,0|1,0,0]=3 920 B15R1.30 CCCCCNC(=O)c1ccc(cc1)I 11a_100000209983_100000187904 [0,1,1,0,0,0|1,0,0]=3 921 B15R1.30 CCCCCNC(=O)c1ccc(cc1)I 1626a_100000209983_100000187904 [0,1,1,0,0,0|1,0,0]=3 922 B15R1.30 CCCCCNC(=O)c1ccc(cc1)I 240690a_100000209983_100000187904 [0,1,1,0,0,0|1,0,0]=3 923 B15R1.30 CCCCCNC(=O)c1ccc(cc1)I 527a_100000209983_100000187904 [0,1,1,0,0,0|1,0,0]=3 924 B15R1.30 CCCCCNC(=O)c1ccc(cc1)O 240690a_100000209983_100000212099 [0,1,1,0,0,0|1,0,0]=3 925 B15R1.30 CCCCCNC(=O)c1ccc(cc1)O 527a_100000209983_100000212099 [0,1,1,0,0,0|1,0,0]=3 926 B15R1.30 CCCCCOC(C)c1ccc(cc1)Br 34a_100000210253_100000755118 [0,1,1,0,0,0|1,0,1]=4 927 B15R1.30 CCCCCOC(C)c1ccc(cc1)Br 34a_100000745893_100000718602 [0,1,1,0,0,0|1,0,1]=4 928 B15R1.30 CCCCCOC(C)c1ccc(cc1)Br 7a_100000745893_100000210326 [0,1,1,0,0,0|1,0,1]=4 929 B15R1.30 CCCCCOC(C)c1ccc(cc1)C 34a_100000210253_100011261388 [0,1,1,0,0,0|1,0,1]=4 930 B15R1.30 CCCCCOC(C)c1ccc(cc1)C 7a_100000210253_100011261388 [0,1,1,0,0,0|1,0,1]=4 931 B15R1.30 CCCCCOC(C)c1ccc(cc1)Cl 7a_100000210253_100000684792 [0,1,1,0,0,0|1,0,1]=4 932 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 34a_100000181323_100000718602 [0,1,1,0,0,0|1,0,1]=4 933 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 34a_100000210253_100000743420 [0,1,1,0,0,0|1,0,1]=4 934 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 7a_100000181323_100000210326 [0,1,1,0,0,0|1,0,1]=4 935 B15R1.30 CCCCCOC(C)c1ccc(cc1)F 7a_100000210253_100000743420 [0,1,1,0,0,0|1,0,1]=4 936 B15R1.30 CCCCCOC(C)c1ccc(cc1)N 34a_100011216399_100000718602 [0,1,1,0,0,0|1,0,1]=4 937 B15R1.30 CCCCCO[C@@H](C)c1ccc(cc1)Cl 34a_100011852131_100000718602 [0,1,1,0,0,0|1,0,1]=4 938 B15R1.30 CCCCCO[C@@H](C)c1ccc(cc1)Cl 7a_100011852131_100000210326 [0,1,1,0,0,0|1,0,1]=4 939 B15R1.30 CCCCCO[C@H](C)c1ccc(cc1)C 34a_100000690690_100000718602 [0,1,1,0,0,0|1,0,1]=4 940 B15R1.30 CCCCCO[C@H](C)c1ccc(cc1)C 7a_100000690690_100000210326 [0,1,1,0,0,0|1,0,1]=4 941 B15R1.30 CCCCNCC(=O)c1ccc(cc1)Br 7a_106832991798_100000188085 [0,1,1,0,0,0|2,0,0]=4 942 B15R1.30 CCCCNCC(=O)c1ccc(cc1)C 2230a_100000102301_100000211441 [0,1,1,0,0,0|2,0,0]=4 943 B15R1.30 CCCCNCC(=O)c1ccc(cc1)C 7a_106832991798_100000211441 [0,1,1,0,0,0|2,0,0]=4 944 B15R1.30 CCCCNCC(=O)c1ccc(cc1)Cl 7a_106832991798_100000211071 [0,1,1,0,0,0|2,0,0]=4 945 B15R1.30 CCCCNCC(=O)c1ccc(cc1)F 7a_106832991798_100000211279 [0,1,1,0,0,0|2,0,0]=4 946 B15R1.30 CCCCNCC(=O)c1ccc(cc1)I 7a_106832991798_100011216261 [0,1,1,0,0,0|2,0,0]=4 947 B15R1.30 CCCCNCC(=O)c1ccc(cc1)O 7a_106832991798_100000018856 [0,1,1,0,0,0|2,0,0]=4 948 B15R1.30 CCCCNNC(=O)c1ccc(cc1)Br 22a_100025702795_100000185839 [0,1,1,0,0,0|2,0,0]=4 949 B15R1.30 CCCCNNC(=O)c1ccc(cc1)C 22a_100025702795_100000188618 [0,1,1,0,0,0|2,0,0]=4 950 B15R1.30 CCCCNNC(=O)c1ccc(cc1)Cl 22a_100025702795_100000210187 [0,1,1,0,0,0|2,0,0]=4 951 B15R1.30 CCCCNNC(=O)c1ccc(cc1)F 22a_100025702795_100000187176 [0,1,1,0,0,0|2,0,0]=4 952 B15R1.30 CCCCNNC(=O)c1ccc(cc1)I 22a_100025702795_100000187904 [0,1,1,0,0,0|2,0,0]=4 953 B15R1.30 CCCCNNC(=O)c1ccc(cc1)O 22a_100025702795_100000212099 [0,1,1,0,0,0|2,0,0]=4 954 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011995733 [0,1,1,0,0,0|2,0,0]=4 955 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Br 34a_100000210227_100000188085 [0,1,1,0,0,0|2,0,0]=4 956 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Br 7a_100000210227_100000188085 [0,1,1,0,0,0|2,0,0]=4 957 B15R1.30 CCCCOCC(=O)c1ccc(cc1)C 1458a_100000188618_100011995733 [0,1,1,0,0,0|2,0,0]=4 958 B15R1.30 CCCCOCC(=O)c1ccc(cc1)C 34a_100000210227_100000211441 [0,1,1,0,0,0|2,0,0]=4 959 B15R1.30 CCCCOCC(=O)c1ccc(cc1)C 7a_100000210227_100000211441 [0,1,1,0,0,0|2,0,0]=4 960 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011995733 [0,1,1,0,0,0|2,0,0]=4 961 B15R1.30 CCCCOCC(=O)c1ccc(cc1)Cl 7a_100000210227_100000211071 [0,1,1,0,0,0|2,0,0]=4 962 B15R1.30 CCCCOCC(=O)c1ccc(cc1)F 1458a_100000187176_100011995733 [0,1,1,0,0,0|2,0,0]=4 963 B15R1.30 CCCCOCC(=O)c1ccc(cc1)F 34a_100000246311_100000210210 [0,1,1,0,0,0|2,0,0]=4 964 B15R1.30 CCCCOCC(=O)c1ccc(cc1)F 7a_100000210227_100000211279 [0,1,1,0,0,0|2,0,0]=4 965 B15R1.30 CCCCOCC(=O)c1ccc(cc1)I 1458a_100000187904_100011995733 [0,1,1,0,0,0|2,0,0]=4 966 B15R1.30 CCCCOCC(=O)c1ccc(cc1)I 34a_100000210227_100011216261 [0,1,1,0,0,0|2,0,0]=4 967 B15R1.30 CCCCOCC(=O)c1ccc(cc1)I 7a_100000210227_100011216261 [0,1,1,0,0,0|2,0,0]=4 968 B15R1.30 CCCCOCC(=O)c1ccc(cc1)O 1458a_100000212099_100011995733 [0,1,1,0,0,0|2,0,0]=4 969 B15R1.30 CCCCOCC(=O)c1ccc(cc1)O 34a_100000210227_100009814261 [0,1,1,0,0,0|2,0,0]=4 970 B15R1.30 CCCCOCC(=O)c1ccc(cc1)O 7a_100000210227_100000018856 [0,1,1,0,0,0|2,0,0]=4 971 B15R1.30 CCCCSCC(=O)c1ccc(cc1)Br 62a_100000188085_100000210210 [0,1,1,0,0,0|2,0,0]=4 972 B15R1.30 CCCCSCC(=O)c1ccc(cc1)C 62a_100000210211_100000211441 [0,1,1,0,0,0|2,0,0]=4 973 B15R1.30 CCCCSCC(=O)c1ccc(cc1)C 62a_100000211441_100000210210 [0,1,1,0,0,0|2,0,0]=4 974 B15R1.30 CCCCSCC(=O)c1ccc(cc1)Cl 62a_100000210211_100000211071 [0,1,1,0,0,0|2,0,0]=4 975 B15R1.30 CCCCSCC(=O)c1ccc(cc1)Cl 62a_100000211071_100000210210 [0,1,1,0,0,0|2,0,0]=4 976 B15R1.30 CCCCSCC(=O)c1ccc(cc1)F 62a_100000210211_100000211279 [0,1,1,0,0,0|2,0,0]=4 977 B15R1.30 CCCCSCC(=O)c1ccc(cc1)F 62a_100000211279_100000210210 [0,1,1,0,0,0|2,0,0]=4 978 B15R1.30 CCCCSCC(=O)c1ccc(cc1)I 62a_100000210211_100011216261 [0,1,1,0,0,0|2,0,0]=4 979 B15R1.30 CCCCSCC(=O)c1ccc(cc1)I 62a_100011216261_100000210210 [0,1,1,0,0,0|2,0,0]=4 980 B15R1.30 CCCCSCC(=O)c1ccc(cc1)O 62a_100000210211_100009814261 [0,1,1,0,0,0|2,0,0]=4 981 B15R1.30 CCCCSCC(=O)c1ccc(cc1)O 62a_100009814261_100000210210 [0,1,1,0,0,0|2,0,0]=4 982 B15R1.30 CCCOCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100011215938 [0,1,1,0,0,0|2,0,0]=4 983 B15R1.30 CCCOCCC(=O)c1ccc(cc1)C 1458a_100000188618_100011215938 [0,1,1,0,0,0|2,0,0]=4 984 B15R1.30 CCCOCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100011215938 [0,1,1,0,0,0|2,0,0]=4 985 B15R1.30 CCCOCCC(=O)c1ccc(cc1)F 1458a_100000187176_100011215938 [0,1,1,0,0,0|2,0,0]=4 986 B15R1.30 CCCOCCC(=O)c1ccc(cc1)I 1458a_100000187904_100011215938 [0,1,1,0,0,0|2,0,0]=4 987 B15R1.30 CCCOCCC(=O)c1ccc(cc1)O 1458a_100000212099_100011215938 [0,1,1,0,0,0|2,0,0]=4 988 B15R1.30 CCCSCCC(=O)c1ccc(cc1)Br 62a_100000210303_100011215963 [0,1,1,0,0,0|2,0,0]=4 989 B15R1.30 CCCSCCC(=O)c1ccc(cc1)Br 62a_100011215963_100000210303 [0,1,1,0,0,0|2,0,0]=4 990 B15R1.30 CCCSCCC(=O)c1ccc(cc1)C 62a_100000210303_100000701375 [0,1,1,0,0,0|2,0,0]=4 991 B15R1.30 CCCSCCC(=O)c1ccc(cc1)C 62a_100000701375_100000210303 [0,1,1,0,0,0|2,0,0]=4 992 B15R1.30 CCCSCCC(=O)c1ccc(cc1)Cl 62a_100000210303_100011216492 [0,1,1,0,0,0|2,0,0]=4 993 B15R1.30 CCCSCCC(=O)c1ccc(cc1)Cl 62a_100011216492_100000210303 [0,1,1,0,0,0|2,0,0]=4 994 B15R1.30 CCCSCCC(=O)c1ccc(cc1)F 62a_100000210303_100000211231 [0,1,1,0,0,0|2,0,0]=4 995 B15R1.30 CCCSCCC(=O)c1ccc(cc1)F 62a_100000211231_100000210303 [0,1,1,0,0,0|2,0,0]=4 996 B15R1.30 CCCSCCC(=O)c1ccc(cc1)O 62a_100000210303_100009879949 [0,1,1,0,0,0|2,0,0]=4 997 B15R1.30 CCNCCCC(=O)c1ccc(cc1)Br 2230a_100015525214_100000211046 [0,1,1,0,0,0|2,0,0]=4 998 B15R1.30 CCNCCCC(=O)c1ccc(cc1)F 2230a_100015525214_100000211961 [0,1,1,0,0,0|2,0,0]=4 999 B15R1.30 CCNCCCC(=O)c1ccc(cc1)O 2230a_100015525214_100000039620 [0,1,1,0,0,0|2,0,0]=4 1000 B15R1.30 CCNCCNC(=O)c1ccc(cc1)Cl 2230a_100000736292_100000210202 [0,1,1,0,0,0|2,0,0]=4 1001 B15R1.30 CCNCCNC(=O)c1ccc(cc1)Cl 34a_100000736292_100000210202 [0,1,1,0,0,0|2,0,0]=4 1002 B15R1.30 CCNCCNC(=O)c1ccc(cc1)F 2230a_100000753910_100000210202 [0,1,1,0,0,0|2,0,0]=4 1003 B15R1.30 CCNCCNC(=O)c1ccc(cc1)F 34a_100000753910_100000210202 [0,1,1,0,0,0|2,0,0]=4 1004 B15R1.30 CCOCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100012232248 [0,1,1,0,0,0|2,0,0]=4 1005 B15R1.30 CCOCCCC(=O)c1ccc(cc1)Br 34a_100121572206_100000211046 [0,1,1,0,0,0|2,0,0]=4 1006 B15R1.30 CCOCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100012232248 [0,1,1,0,0,0|2,0,0]=4 1007 B15R1.30 CCOCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100012232248 [0,1,1,0,0,0|2,0,0]=4 1008 B15R1.30 CCOCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100012232248 [0,1,1,0,0,0|2,0,0]=4 1009 B15R1.30 CCOCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100012232248 [0,1,1,0,0,0|2,0,0]=4 1010 B15R1.30 CCOCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100012232248 [0,1,1,0,0,0|2,0,0]=4 1011 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br 11a_100011200944_100000185839 [0,1,1,0,0,0|2,0,0]=4 1012 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br 1626a_102516460346_100000185839 [0,1,1,0,0,0|2,0,0]=4 1013 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br 240690a_100011200944_100000185839 [0,1,1,0,0,0|2,0,0]=4 1014 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br 34a_200000158904_100000210202 [0,1,1,0,0,0|2,0,0]=4 1015 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Br 527a_100011200944_100000185839 [0,1,1,0,0,0|2,0,0]=4 1016 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 11a_100011200944_100000188618 [0,1,1,0,0,0|2,0,0]=4 1017 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 1626a_102516460346_100000188618 [0,1,1,0,0,0|2,0,0]=4 1018 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 240690a_100011200944_100000188618 [0,1,1,0,0,0|2,0,0]=4 1019 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 34a_200000158910_100000210202 [0,1,1,0,0,0|2,0,0]=4 1020 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 527a_100011200944_100000188618 [0,1,1,0,0,0|2,0,0]=4 1021 B15R1.30 CCOCCNC(=O)c1ccc(cc1)C 7a_200000158910_100000210202 [0,1,1,0,0,0|2,0,0]=4 1022 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Cl 11a_100011200944_100000210187 [0,1,1,0,0,0|2,0,0]=4 1023 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Cl 1626a_102516460346_100000210187 [0,1,1,0,0,0|2,0,0]=4 1024 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Cl 240690a_100011200944_100000210187 [0,1,1,0,0,0|2,0,0]=4 1025 B15R1.30 CCOCCNC(=O)c1ccc(cc1)Cl 527a_100011200944_100000210187 [0,1,1,0,0,0|2,0,0]=4 1026 B15R1.30 CCOCCNC(=O)c1ccc(cc1)F 11a_100011200944_100000187176 [0,1,1,0,0,0|2,0,0]=4 1027 B15R1.30 CCOCCNC(=O)c1ccc(cc1)F 1626a_102516460346_100000187176 [0,1,1,0,0,0|2,0,0]=4 1028 B15R1.30 CCOCCNC(=O)c1ccc(cc1)F 240690a_100011200944_100000187176 [0,1,1,0,0,0|2,0,0]=4 1029 B15R1.30 CCOCCNC(=O)c1ccc(cc1)F 527a_100011200944_100000187176 [0,1,1,0,0,0|2,0,0]=4 1030 B15R1.30 CCOCCNC(=O)c1ccc(cc1)I 11a_100011200944_100000187904 [0,1,1,0,0,0|2,0,0]=4 1031 B15R1.30 CCOCCNC(=O)c1ccc(cc1)I 1626a_102516460346_100000187904 [0,1,1,0,0,0|2,0,0]=4 1032 B15R1.30 CCOCCNC(=O)c1ccc(cc1)I 240690a_100011200944_100000187904 [0,1,1,0,0,0|2,0,0]=4 1033 B15R1.30 CCOCCNC(=O)c1ccc(cc1)I 527a_100011200944_100000187904 [0,1,1,0,0,0|2,0,0]=4 1034 B15R1.30 CCOCCNC(=O)c1ccc(cc1)N 34a_100000740983_100000210202 [0,1,1,0,0,0|2,0,0]=4 1035 B15R1.30 CCOCCNC(=O)c1ccc(cc1)O 240690a_100011200944_100000212099 [0,1,1,0,0,0|2,0,0]=4 1036 B15R1.30 CCOCCNC(=O)c1ccc(cc1)O 527a_100011200944_100000212099 [0,1,1,0,0,0|2,0,0]=4 1037 B15R1.30 CCOCCOC(=O)c1ccc(cc1)C 7a_200000031072_100000210202 [0,1,1,0,0,0|1,0,0]=3 1038 B15R1.30 CCSCCCC(=O)c1ccc(cc1)Br 62a_100000210202_100000211046 [0,1,1,0,0,0|2,0,0]=4 1039 B15R1.30 CCSCCCC(=O)c1ccc(cc1)Br 62a_100000211046_100000210202 [0,1,1,0,0,0|2,0,0]=4 1040 B15R1.30 CCSCCCC(=O)c1ccc(cc1)Cl 62a_100000210202_200011217871 [0,1,1,0,0,0|2,0,0]=4 1041 B15R1.30 CCSCCCC(=O)c1ccc(cc1)Cl 62a_200011217871_100000210202 [0,1,1,0,0,0|2,0,0]=4 1042 B15R1.30 CCSCCCC(=O)c1ccc(cc1)F 62a_100000210202_100000211961 [0,1,1,0,0,0|2,0,0]=4 1043 B15R1.30 CCSCCCC(=O)c1ccc(cc1)F 62a_100000211961_100000210202 [0,1,1,0,0,0|2,0,0]=4 1044 B15R1.30 CCSCCCC(=O)c1ccc(cc1)O 62a_100000210202_100000039620 [0,1,1,0,0,0|2,0,0]=4 1045 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Br 11a_100000106463_100000185839 [0,1,1,0,0,0|2,0,0]=4 1046 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Br 1626a_100000106463_100000185839 [0,1,1,0,0,0|2,0,0]=4 1047 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Br 240690a_100000106463_100000185839 [0,1,1,0,0,0|2,0,0]=4 1048 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Br 527a_100000106463_100000185839 [0,1,1,0,0,0|2,0,0]=4 1049 B15R1.30 CCSCCNC(=O)c1ccc(cc1)C 11a_100000106463_100000188618 [0,1,1,0,0,0|2,0,0]=4 1050 B15R1.30 CCSCCNC(=O)c1ccc(cc1)C 1626a_100000106463_100000188618 [0,1,1,0,0,0|2,0,0]=4 1051 B15R1.30 CCSCCNC(=O)c1ccc(cc1)C 240690a_100000106463_100000188618 [0,1,1,0,0,0|2,0,0]=4 1052 B15R1.30 CCSCCNC(=O)c1ccc(cc1)C 527a_100000106463_100000188618 [0,1,1,0,0,0|2,0,0]=4 1053 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Cl 11a_100000106463_100000210187 [0,1,1,0,0,0|2,0,0]=4 1054 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Cl 1626a_100000106463_100000210187 [0,1,1,0,0,0|2,0,0]=4 1055 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Cl 240690a_100000106463_100000210187 [0,1,1,0,0,0|2,0,0]=4 1056 B15R1.30 CCSCCNC(=O)c1ccc(cc1)Cl 527a_100000106463_100000210187 [0,1,1,0,0,0|2,0,0]=4 1057 B15R1.30 CCSCCNC(=O)c1ccc(cc1)F 11a_100000106463_100000187176 [0,1,1,0,0,0|2,0,0]=4 1058 B15R1.30 CCSCCNC(=O)c1ccc(cc1)F 1626a_100000106463_100000187176 [0,1,1,0,0,0|2,0,0]=4 1059 B15R1.30 CCSCCNC(=O)c1ccc(cc1)F 240690a_100000106463_100000187176 [0,1,1,0,0,0|2,0,0]=4 1060 B15R1.30 CCSCCNC(=O)c1ccc(cc1)F 527a_100000106463_100000187176 [0,1,1,0,0,0|2,0,0]=4 1061 B15R1.30 CCSCCNC(=O)c1ccc(cc1)I 11a_100000106463_100000187904 [0,1,1,0,0,0|2,0,0]=4 1062 B15R1.30 CCSCCNC(=O)c1ccc(cc1)I 1626a_100000106463_100000187904 [0,1,1,0,0,0|2,0,0]=4 1063 B15R1.30 CCSCCNC(=O)c1ccc(cc1)I 240690a_100000106463_100000187904 [0,1,1,0,0,0|2,0,0]=4 1064 B15R1.30 CCSCCNC(=O)c1ccc(cc1)I 527a_100000106463_100000187904 [0,1,1,0,0,0|2,0,0]=4 1065 B15R1.30 CCSCCNC(=O)c1ccc(cc1)O 240690a_100000106463_100000212099 [0,1,1,0,0,0|2,0,0]=4 1066 B15R1.30 CCSCCNC(=O)c1ccc(cc1)O 527a_100000106463_100000212099 [0,1,1,0,0,0|2,0,0]=4 1067 B15R1.30 COCCCCC(=O)c1ccc(cc1)Br 1458a_100000185839_100000755781 [0,1,1,0,0,0|2,0,0]=4 1068 B15R1.30 COCCCCC(=O)c1ccc(cc1)C 1458a_100000188618_100000755781 [0,1,1,0,0,0|2,0,0]=4 1069 B15R1.30 COCCCCC(=O)c1ccc(cc1)Cl 1458a_100000210187_100000755781 [0,1,1,0,0,0|2,0,0]=4 1070 B15R1.30 COCCCCC(=O)c1ccc(cc1)F 1458a_100000187176_100000755781 [0,1,1,0,0,0|2,0,0]=4 1071 B15R1.30 COCCCCC(=O)c1ccc(cc1)I 1458a_100000187904_100000755781 [0,1,1,0,0,0|2,0,0]=4 1072 B15R1.30 COCCCCC(=O)c1ccc(cc1)O 1458a_100000212099_100000755781 [0,1,1,0,0,0|2,0,0]=4 1073 B15R1.30 COCCCNC(=O)c1ccc(cc1)Br 1626a_100150723488_100000185839 [0,1,1,0,0,0|2,0,0]=4 1074 B15R1.30 COCCCNC(=O)c1ccc(cc1)Br 240690a_100150723488_100000185839 [0,1,1,0,0,0|2,0,0]=4 1075 B15R1.30 COCCCNC(=O)c1ccc(cc1)Br 527a_100150723488_100000185839 [0,1,1,0,0,0|2,0,0]=4 1076 B15R1.30 COCCCNC(=O)c1ccc(cc1)C 1626a_100150723488_100000188618 [0,1,1,0,0,0|2,0,0]=4 1077 B15R1.30 COCCCNC(=O)c1ccc(cc1)C 240690a_100150723488_100000188618 [0,1,1,0,0,0|2,0,0]=4 1078 B15R1.30 COCCCNC(=O)c1ccc(cc1)C 527a_100150723488_100000188618 [0,1,1,0,0,0|2,0,0]=4 1079 B15R1.30 COCCCNC(=O)c1ccc(cc1)Cl 1626a_100150723488_100000210187 [0,1,1,0,0,0|2,0,0]=4 1080 B15R1.30 COCCCNC(=O)c1ccc(cc1)Cl 240690a_100150723488_100000210187 [0,1,1,0,0,0|2,0,0]=4 1081 B15R1.30 COCCCNC(=O)c1ccc(cc1)Cl 527a_100150723488_100000210187 [0,1,1,0,0,0|2,0,0]=4 1082 B15R1.30 COCCCNC(=O)c1ccc(cc1)F 1626a_100150723488_100000187176 [0,1,1,0,0,0|2,0,0]=4 1083 B15R1.30 COCCCNC(=O)c1ccc(cc1)F 240690a_100150723488_100000187176 [0,1,1,0,0,0|2,0,0]=4 1084 B15R1.30 COCCCNC(=O)c1ccc(cc1)F 527a_100150723488_100000187176 [0,1,1,0,0,0|2,0,0]=4 1085 B15R1.30 COCCCNC(=O)c1ccc(cc1)I 1626a_100150723488_100000187904 [0,1,1,0,0,0|2,0,0]=4 1086 B15R1.30 COCCCNC(=O)c1ccc(cc1)I 240690a_100150723488_100000187904 [0,1,1,0,0,0|2,0,0]=4 1087 B15R1.30 COCCCNC(=O)c1ccc(cc1)I 527a_100150723488_100000187904 [0,1,1,0,0,0|2,0,0]=4 1088 B15R1.30 COCCCNC(=O)c1ccc(cc1)O 240690a_100150723488_100000212099 [0,1,1,0,0,0|2,0,0]=4 1089 B15R1.30 COCCCNC(=O)c1ccc(cc1)O 527a_100150723488_100000212099 [0,1,1,0,0,0|2,0,0]=4 1090 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Br 11a_100000749238_100000185839 [0,1,1,0,0,0|2,0,0]=4 1091 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Br 1626a_100000749238_100000185839 [0,1,1,0,0,0|2,0,0]=4 1092 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Br 240690a_100000749238_100000185839 [0,1,1,0,0,0|2,0,0]=4 1093 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Br 527a_100000749238_100000185839 [0,1,1,0,0,0|2,0,0]=4 1094 B15R1.30 CSCCCNC(=O)c1ccc(cc1)C 11a_100000749238_100000188618 [0,1,1,0,0,0|2,0,0]=4 1095 B15R1.30 CSCCCNC(=O)c1ccc(cc1)C 1626a_100000749238_100000188618 [0,1,1,0,0,0|2,0,0]=4 1096 B15R1.30 CSCCCNC(=O)c1ccc(cc1)C 240690a_100000749238_100000188618 [0,1,1,0,0,0|2,0,0]=4 1097 B15R1.30 CSCCCNC(=O)c1ccc(cc1)C 527a_100000749238_100000188618 [0,1,1,0,0,0|2,0,0]=4 1098 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Cl 11a_100000749238_100000210187 [0,1,1,0,0,0|2,0,0]=4 1099 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Cl 1626a_100000749238_100000210187 [0,1,1,0,0,0|2,0,0]=4 1100 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Cl 240690a_100000749238_100000210187 [0,1,1,0,0,0|2,0,0]=4 1101 B15R1.30 CSCCCNC(=O)c1ccc(cc1)Cl 527a_100000749238_100000210187 [0,1,1,0,0,0|2,0,0]=4 1102 B15R1.30 CSCCCNC(=O)c1ccc(cc1)F 11a_100000749238_100000187176 [0,1,1,0,0,0|2,0,0]=4 1103 B15R1.30 CSCCCNC(=O)c1ccc(cc1)F 1626a_100000749238_100000187176 [0,1,1,0,0,0|2,0,0]=4 1104 B15R1.30 CSCCCNC(=O)c1ccc(cc1)F 240690a_100000749238_100000187176 [0,1,1,0,0,0|2,0,0]=4 1105 B15R1.30 CSCCCNC(=O)c1ccc(cc1)F 527a_100000749238_100000187176 [0,1,1,0,0,0|2,0,0]=4 1106 B15R1.30 CSCCCNC(=O)c1ccc(cc1)I 11a_100000749238_100000187904 [0,1,1,0,0,0|2,0,0]=4 1107 B15R1.30 CSCCCNC(=O)c1ccc(cc1)I 1626a_100000749238_100000187904 [0,1,1,0,0,0|2,0,0]=4 1108 B15R1.30 CSCCCNC(=O)c1ccc(cc1)I 240690a_100000749238_100000187904 [0,1,1,0,0,0|2,0,0]=4 1109 B15R1.30 CSCCCNC(=O)c1ccc(cc1)I 527a_100000749238_100000187904 [0,1,1,0,0,0|2,0,0]=4 1110 B15R1.30 CSCCCNC(=O)c1ccc(cc1)O 240690a_100000749238_100000212099 [0,1,1,0,0,0|2,0,0]=4 1111 B15R1.30 CSCCCNC(=O)c1ccc(cc1)O 527a_100000749238_100000212099 [0,1,1,0,0,0|2,0,0]=4 1112 B15R1.30 Cc1ccc(cc1)C(=O)CCCCCF 1458a_100000188618_100000729378 [0,1,1,0,0,0|2,0,0]=4 1113 B15R1.30 Cc1ccc(cc1)C(=O)CCCCCO 1458a_100000188618_100000746330 [0,1,1,0,0,0|2,0,0]=4 1114 B15R1.30 Cc1ccc(cc1)C(=O)NCCCCO 240690a_100000750430_100000188618 [0,1,1,0,0,0|2,0,0]=4 1115 B15R1.30 Cc1ccc(cc1)C(=O)NCCCCO 527a_100000750430_100000188618 [0,1,1,0,0,0|2,0,0]=4 1116 B15R1.30 Cc1ccc(cc1)C(=O)OCCOCF 7a_200000031072_100015361967 [0,1,1,0,0,0|2,0,0]=4 1117 B15R1.30 O=C(CCCCCF)c1ccc(cc1)Br 1458a_100000185839_100000729378 [0,1,1,0,0,0|2,0,0]=4 1118 B15R1.30 O=C(CCCCCF)c1ccc(cc1)Cl 1458a_100000210187_100000729378 [0,1,1,0,0,0|2,0,0]=4 1119 B15R1.30 O=C(CCCCCF)c1ccc(cc1)F 1458a_100000187176_100000729378 [0,1,1,0,0,0|2,0,0]=4 1120 B15R1.30 O=C(CCCCCF)c1ccc(cc1)I 1458a_100000187904_100000729378 [0,1,1,0,0,0|2,0,0]=4 1121 B15R1.30 O=C(CCCCCF)c1ccc(cc1)O 1458a_100000212099_100000729378 [0,1,1,0,0,0|2,0,0]=4 1122 B15R1.30 O=C(CCCCCO)c1ccc(cc1)Br 1458a_100000185839_100000746330 [0,1,1,0,0,0|2,0,0]=4 1123 B15R1.30 O=C(CCCCCO)c1ccc(cc1)Cl 1458a_100000210187_100000746330 [0,1,1,0,0,0|2,0,0]=4 1124 B15R1.30 O=C(CCCCCO)c1ccc(cc1)F 1458a_100000187176_100000746330 [0,1,1,0,0,0|2,0,0]=4 1125 B15R1.30 O=C(CCCCCO)c1ccc(cc1)I 1458a_100000187904_100000746330 [0,1,1,0,0,0|2,0,0]=4 1126 B15R1.30 O=C(CCCCCO)c1ccc(cc1)O 1458a_100000212099_100000746330 [0,1,1,0,0,0|2,0,0]=4 1127 B15R1.30 O=C(NCCCCO)c1ccc(cc1)Br 240690a_100000750430_100000185839 [0,1,1,0,0,0|2,0,0]=4 1128 B15R1.30 O=C(NCCCCO)c1ccc(cc1)Br 527a_100000750430_100000185839 [0,1,1,0,0,0|2,0,0]=4 1129 B15R1.30 O=C(NCCCCO)c1ccc(cc1)Cl 240690a_100000750430_100000210187 [0,1,1,0,0,0|2,0,0]=4 1130 B15R1.30 O=C(NCCCCO)c1ccc(cc1)Cl 527a_100000750430_100000210187 [0,1,1,0,0,0|2,0,0]=4 1131 B15R1.30 O=C(NCCCCO)c1ccc(cc1)F 240690a_100000750430_100000187176 [0,1,1,0,0,0|2,0,0]=4 1132 B15R1.30 O=C(NCCCCO)c1ccc(cc1)F 527a_100000750430_100000187176 [0,1,1,0,0,0|2,0,0]=4 1133 B15R1.30 O=C(NCCCCO)c1ccc(cc1)I 240690a_100000750430_100000187904 [0,1,1,0,0,0|2,0,0]=4 1134 B15R1.30 O=C(NCCCCO)c1ccc(cc1)I 527a_100000750430_100000187904 [0,1,1,0,0,0|2,0,0]=4 1135 B15R1.30 O=C(NCCCCO)c1ccc(cc1)O 240690a_100000750430_100000212099 [0,1,1,0,0,0|2,0,0]=4 1136 B15R1.30 O=C(NCCCCO)c1ccc(cc1)O 527a_100000750430_100000212099 [0,1,1,0,0,0|2,0,0]=4 1137 B15R1.30 [2H]C(OCCCCC)c1ccc(cc1)F 34a_217856618577_100000718602 [0,1,1,0,0,0|1,0,1]=4 1138 B15R1.30 [2H]C(OCCCCC)c1ccc(cc1)F 7a_217856618577_100000210326 [0,1,1,0,0,0|1,0,1]=4 1139 B15R1.31 CCCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000210757 [0,1,1,0,0,0|1,0,0]=3 1140 B15R1.31 CCCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000210757 [0,1,1,0,0,0|1,0,0]=3 1141 B15R1.31 CCCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000210757 [0,1,1,0,0,0|1,0,0]=3 1142 B15R1.31 CCCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000210757 [0,1,1,0,0,0|1,0,0]=3 1143 B15R1.31 CCCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000210757 [0,1,1,0,0,0|1,0,0]=3 1144 B15R1.31 CCCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000210757 [0,1,1,0,0,0|1,0,0]=3 1145 B15R1.31 CCCCCNC(=O)c1cccc(c1)Br 11a_100000209983_100000210664 [0,1,1,0,0,0|1,0,0]=3 1146 B15R1.31 CCCCCNC(=O)c1cccc(c1)Br 1626a_100000209983_100000210664 [0,1,1,0,0,0|1,0,0]=3 1147 B15R1.31 CCCCCNC(=O)c1cccc(c1)Br 240690a_100000209983_100000210664 [0,1,1,0,0,0|1,0,0]=3 1148 B15R1.31 CCCCCNC(=O)c1cccc(c1)Br 527a_100000209983_100000210664 [0,1,1,0,0,0|1,0,0]=3 1149 B15R1.31 CCCCCNC(=O)c1cccc(c1)C 11a_100000209983_100000189346 [0,1,1,0,0,0|1,0,0]=3 1150 B15R1.31 CCCCCNC(=O)c1cccc(c1)C 1626a_100000209983_100000189346 [0,1,1,0,0,0|1,0,0]=3 1151 B15R1.31 CCCCCNC(=O)c1cccc(c1)C 240690a_100000209983_100000189346 [0,1,1,0,0,0|1,0,0]=3 1152 B15R1.31 CCCCCNC(=O)c1cccc(c1)C 527a_100000209983_100000189346 [0,1,1,0,0,0|1,0,0]=3 1153 B15R1.31 CCCCCNC(=O)c1cccc(c1)Cl 11a_100000209983_100000210390 [0,1,1,0,0,0|1,0,0]=3 1154 B15R1.31 CCCCCNC(=O)c1cccc(c1)Cl 1626a_100000209983_100000210390 [0,1,1,0,0,0|1,0,0]=3 1155 B15R1.31 CCCCCNC(=O)c1cccc(c1)Cl 240690a_100000209983_100000210390 [0,1,1,0,0,0|1,0,0]=3 1156 B15R1.31 CCCCCNC(=O)c1cccc(c1)Cl 527a_100000209983_100000210390 [0,1,1,0,0,0|1,0,0]=3 1157 B15R1.31 CCCCCNC(=O)c1cccc(c1)F 11a_100000209983_100000210950 [0,1,1,0,0,0|1,0,0]=3 1158 B15R1.31 CCCCCNC(=O)c1cccc(c1)F 1626a_100000209983_100000210950 [0,1,1,0,0,0|1,0,0]=3 1159 B15R1.31 CCCCCNC(=O)c1cccc(c1)F 240690a_100000209983_100000210950 [0,1,1,0,0,0|1,0,0]=3 1160 B15R1.31 CCCCCNC(=O)c1cccc(c1)F 527a_100000209983_100000210950 [0,1,1,0,0,0|1,0,0]=3 1161 B15R1.31 CCCCCNC(=O)c1cccc(c1)I 11a_100000209983_100000184098 [0,1,1,0,0,0|1,0,0]=3 1162 B15R1.31 CCCCCNC(=O)c1cccc(c1)I 1626a_100000209983_100000184098 [0,1,1,0,0,0|1,0,0]=3 1163 B15R1.31 CCCCCNC(=O)c1cccc(c1)I 240690a_100000209983_100000184098 [0,1,1,0,0,0|1,0,0]=3 1164 B15R1.31 CCCCCNC(=O)c1cccc(c1)I 527a_100000209983_100000184098 [0,1,1,0,0,0|1,0,0]=3 1165 B15R1.31 CCCCCNC(=O)c1cccc(c1)O 240690a_100000209983_100000183914 [0,1,1,0,0,0|1,0,0]=3 1166 B15R1.31 CCCCCNC(=O)c1cccc(c1)O 527a_100000209983_100000183914 [0,1,1,0,0,0|1,0,0]=3 1167 B15R1.31 CCCCCOC(C)c1cccc(c1)Br 34a_100000246457_100000718602 [0,1,1,0,0,0|1,0,1]=4 1168 B15R1.31 CCCCCOC(C)c1cccc(c1)Br 7a_100000246457_100000210326 [0,1,1,0,0,0|1,0,1]=4 1169 B15R1.31 CCCCCOC(C)c1cccc(c1)C 34a_100000757818_100000718602 [0,1,1,0,0,0|1,0,1]=4 1170 B15R1.31 CCCCCOC(C)c1cccc(c1)C 7a_100000757818_100000210326 [0,1,1,0,0,0|1,0,1]=4 1171 B15R1.31 CCCCCOC(C)c1cccc(c1)F 34a_100000744526_100000718602 [0,1,1,0,0,0|1,0,1]=4 1172 B15R1.31 CCCCCOC(C)c1cccc(c1)F 7a_100000744526_100000210326 [0,1,1,0,0,0|1,0,1]=4 1173 B15R1.31 CCCCCOC(C)c1cccc(c1)I 34a_100013085317_100000718602 [0,1,1,0,0,0|1,0,1]=4 1174 B15R1.31 CCCCCOC(C)c1cccc(c1)I 7a_100013085317_100000210326 [0,1,1,0,0,0|1,0,1]=4 1175 B15R1.31 CCCCCOC(C)c1cccc(c1)N 34a_100011217120_100000718602 [0,1,1,0,0,0|1,0,1]=4 1176 B15R1.31 CCCCCOC(C)c1cccc(c1)N 7a_100011217120_100000210326 [0,1,1,0,0,0|1,0,1]=4 1177 B15R1.31 CCCCCO[C@H](C)c1cccc(c1)Cl 34a_100000747380_100000718602 [0,1,1,0,0,0|1,0,1]=4 1178 B15R1.31 CCCCCO[C@H](C)c1cccc(c1)Cl 7a_100000747380_100000210326 [0,1,1,0,0,0|1,0,1]=4 1179 B15R1.31 CCCCNCC(=O)c1cccc(c1)Br 2230a_100000102301_100000212080 [0,1,1,0,0,0|2,0,0]=4 1180 B15R1.31 CCCCNCC(=O)c1cccc(c1)Br 7a_106832991798_100000212080 [0,1,1,0,0,0|2,0,0]=4 1181 B15R1.31 CCCCNCC(=O)c1cccc(c1)C 2230a_100000102301_100000739480 [0,1,1,0,0,0|2,0,0]=4 1182 B15R1.31 CCCCNCC(=O)c1cccc(c1)C 7a_106832991798_100000739480 [0,1,1,0,0,0|2,0,0]=4 1183 B15R1.31 CCCCNCC(=O)c1cccc(c1)Cl 2230a_100000102301_100000211444 [0,1,1,0,0,0|2,0,0]=4 1184 B15R1.31 CCCCNCC(=O)c1cccc(c1)Cl 7a_106832991798_100000211444 [0,1,1,0,0,0|2,0,0]=4 1185 B15R1.31 CCCCNCC(=O)c1cccc(c1)F 2230a_100000102301_100000215616 [0,1,1,0,0,0|2,0,0]=4 1186 B15R1.31 CCCCNCC(=O)c1cccc(c1)O 7a_106832991798_100009813753 [0,1,1,0,0,0|2,0,0]=4 1187 B15R1.31 CCCCNNC(=O)c1cccc(c1)Br 22a_100025702795_100000210664 [0,1,1,0,0,0|2,0,0]=4 1188 B15R1.31 CCCCNNC(=O)c1cccc(c1)C 22a_100025702795_100000189346 [0,1,1,0,0,0|2,0,0]=4 1189 B15R1.31 CCCCNNC(=O)c1cccc(c1)Cl 22a_100025702795_100000210390 [0,1,1,0,0,0|2,0,0]=4 1190 B15R1.31 CCCCNNC(=O)c1cccc(c1)F 22a_100025702795_100000210950 [0,1,1,0,0,0|2,0,0]=4 1191 B15R1.31 CCCCNNC(=O)c1cccc(c1)I 22a_100025702795_100000184098 [0,1,1,0,0,0|2,0,0]=4 1192 B15R1.31 CCCCNNC(=O)c1cccc(c1)O 22a_100025702795_100000183914 [0,1,1,0,0,0|2,0,0]=4 1193 B15R1.31 CCCCOCC(=O)c1cccc(c1)Br 1458a_100000210664_100011995733 [0,1,1,0,0,0|2,0,0]=4 1194 B15R1.31 CCCCOCC(=O)c1cccc(c1)Br 34a_100000210227_100000212080 [0,1,1,0,0,0|2,0,0]=4 1195 B15R1.31 CCCCOCC(=O)c1cccc(c1)Br 7a_100000210227_100000212080 [0,1,1,0,0,0|2,0,0]=4 1196 B15R1.31 CCCCOCC(=O)c1cccc(c1)C 1458a_100000189346_100011995733 [0,1,1,0,0,0|2,0,0]=4 1197 B15R1.31 CCCCOCC(=O)c1cccc(c1)C 34a_100000210227_100000739480 [0,1,1,0,0,0|2,0,0]=4 1198 B15R1.31 CCCCOCC(=O)c1cccc(c1)C 7a_100000210227_100000739480 [0,1,1,0,0,0|2,0,0]=4 1199 B15R1.31 CCCCOCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011995733 [0,1,1,0,0,0|2,0,0]=4 1200 B15R1.31 CCCCOCC(=O)c1cccc(c1)Cl 34a_100000210227_100000211444 [0,1,1,0,0,0|2,0,0]=4 1201 B15R1.31 CCCCOCC(=O)c1cccc(c1)Cl 7a_100000210227_100000211444 [0,1,1,0,0,0|2,0,0]=4 1202 B15R1.31 CCCCOCC(=O)c1cccc(c1)Cl 7a_200011592804_100000210211 [0,1,1,0,0,0|2,0,0]=4 1203 B15R1.31 CCCCOCC(=O)c1cccc(c1)F 1458a_100000210950_100011995733 [0,1,1,0,0,0|2,0,0]=4 1204 B15R1.31 CCCCOCC(=O)c1cccc(c1)F 34a_100000210227_100000215616 [0,1,1,0,0,0|2,0,0]=4 1205 B15R1.31 CCCCOCC(=O)c1cccc(c1)F 34a_100011592800_100000210210 [0,1,1,0,0,0|2,0,0]=4 1206 B15R1.31 CCCCOCC(=O)c1cccc(c1)F 7a_100011592800_100000210211 [0,1,1,0,0,0|2,0,0]=4 1207 B15R1.31 CCCCOCC(=O)c1cccc(c1)I 1458a_100000184098_100011995733 [0,1,1,0,0,0|2,0,0]=4 1208 B15R1.31 CCCCOCC(=O)c1cccc(c1)O 1458a_100000183914_100011995733 [0,1,1,0,0,0|2,0,0]=4 1209 B15R1.31 CCCCOCC(=O)c1cccc(c1)O 34a_100000210227_100009813753 [0,1,1,0,0,0|2,0,0]=4 1210 B15R1.31 CCCCOCC(=O)c1cccc(c1)O 7a_100000210227_100009813753 [0,1,1,0,0,0|2,0,0]=4 1211 B15R1.31 CCCCSCC(=O)c1cccc(c1)Br 62a_100000210211_100000212080 [0,1,1,0,0,0|2,0,0]=4 1212 B15R1.31 CCCCSCC(=O)c1cccc(c1)Br 62a_100000212080_100000210210 [0,1,1,0,0,0|2,0,0]=4 1213 B15R1.31 CCCCSCC(=O)c1cccc(c1)C 62a_100000210211_100000739480 [0,1,1,0,0,0|2,0,0]=4 1214 B15R1.31 CCCCSCC(=O)c1cccc(c1)C 62a_100000739480_100000210210 [0,1,1,0,0,0|2,0,0]=4 1215 B15R1.31 CCCCSCC(=O)c1cccc(c1)Cl 62a_100000210211_100000211444 [0,1,1,0,0,0|2,0,0]=4 1216 B15R1.31 CCCCSCC(=O)c1cccc(c1)Cl 62a_100000211444_100000210210 [0,1,1,0,0,0|2,0,0]=4 1217 B15R1.31 CCCCSCC(=O)c1cccc(c1)F 62a_100000210211_100000215616 [0,1,1,0,0,0|2,0,0]=4 1218 B15R1.31 CCCCSCC(=O)c1cccc(c1)F 62a_100000215616_100000210210 [0,1,1,0,0,0|2,0,0]=4 1219 B15R1.31 CCCCSCC(=O)c1cccc(c1)O 62a_100000210211_100009813753 [0,1,1,0,0,0|2,0,0]=4 1220 B15R1.31 CCCCSCC(=O)c1cccc(c1)O 62a_100009813753_100000210210 [0,1,1,0,0,0|2,0,0]=4 1221 B15R1.31 CCCOCCC(=O)c1cccc(c1)Br 1458a_100000210664_100011215938 [0,1,1,0,0,0|2,0,0]=4 1222 B15R1.31 CCCOCCC(=O)c1cccc(c1)C 1458a_100000189346_100011215938 [0,1,1,0,0,0|2,0,0]=4 1223 B15R1.31 CCCOCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100011215938 [0,1,1,0,0,0|2,0,0]=4 1224 B15R1.31 CCCOCCC(=O)c1cccc(c1)F 1458a_100000210950_100011215938 [0,1,1,0,0,0|2,0,0]=4 1225 B15R1.31 CCCOCCC(=O)c1cccc(c1)I 1458a_100000184098_100011215938 [0,1,1,0,0,0|2,0,0]=4 1226 B15R1.31 CCCOCCC(=O)c1cccc(c1)O 1458a_100000183914_100011215938 [0,1,1,0,0,0|2,0,0]=4 1227 B15R1.31 CCOCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100012232248 [0,1,1,0,0,0|2,0,0]=4 1228 B15R1.31 CCOCCCC(=O)c1cccc(c1)C 1458a_100000189346_100012232248 [0,1,1,0,0,0|2,0,0]=4 1229 B15R1.31 CCOCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100012232248 [0,1,1,0,0,0|2,0,0]=4 1230 B15R1.31 CCOCCCC(=O)c1cccc(c1)F 1458a_100000210950_100012232248 [0,1,1,0,0,0|2,0,0]=4 1231 B15R1.31 CCOCCCC(=O)c1cccc(c1)I 1458a_100000184098_100012232248 [0,1,1,0,0,0|2,0,0]=4 1232 B15R1.31 CCOCCCC(=O)c1cccc(c1)O 1458a_100000183914_100012232248 [0,1,1,0,0,0|2,0,0]=4 1233 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 11a_100011200944_100000210664 [0,1,1,0,0,0|2,0,0]=4 1234 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 1626a_102516460346_100000210664 [0,1,1,0,0,0|2,0,0]=4 1235 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 240690a_100011200944_100000210664 [0,1,1,0,0,0|2,0,0]=4 1236 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 34a_200000158903_100000210202 [0,1,1,0,0,0|2,0,0]=4 1237 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 527a_100011200944_100000210664 [0,1,1,0,0,0|2,0,0]=4 1238 B15R1.31 CCOCCNC(=O)c1cccc(c1)Br 7a_200000158903_100000210202 [0,1,1,0,0,0|2,0,0]=4 1239 B15R1.31 CCOCCNC(=O)c1cccc(c1)C 11a_100011200944_100000189346 [0,1,1,0,0,0|2,0,0]=4 1240 B15R1.31 CCOCCNC(=O)c1cccc(c1)C 1626a_102516460346_100000189346 [0,1,1,0,0,0|2,0,0]=4 1241 B15R1.31 CCOCCNC(=O)c1cccc(c1)C 240690a_100011200944_100000189346 [0,1,1,0,0,0|2,0,0]=4 1242 B15R1.31 CCOCCNC(=O)c1cccc(c1)C 527a_100011200944_100000189346 [0,1,1,0,0,0|2,0,0]=4 1243 B15R1.31 CCOCCNC(=O)c1cccc(c1)Cl 11a_100011200944_100000210390 [0,1,1,0,0,0|2,0,0]=4 1244 B15R1.31 CCOCCNC(=O)c1cccc(c1)Cl 1626a_102516460346_100000210390 [0,1,1,0,0,0|2,0,0]=4 1245 B15R1.31 CCOCCNC(=O)c1cccc(c1)Cl 240690a_100011200944_100000210390 [0,1,1,0,0,0|2,0,0]=4 1246 B15R1.31 CCOCCNC(=O)c1cccc(c1)Cl 527a_100011200944_100000210390 [0,1,1,0,0,0|2,0,0]=4 1247 B15R1.31 CCOCCNC(=O)c1cccc(c1)F 11a_100011200944_100000210950 [0,1,1,0,0,0|2,0,0]=4 1248 B15R1.31 CCOCCNC(=O)c1cccc(c1)F 1626a_102516460346_100000210950 [0,1,1,0,0,0|2,0,0]=4 1249 B15R1.31 CCOCCNC(=O)c1cccc(c1)F 240690a_100011200944_100000210950 [0,1,1,0,0,0|2,0,0]=4 1250 B15R1.31 CCOCCNC(=O)c1cccc(c1)F 527a_100011200944_100000210950 [0,1,1,0,0,0|2,0,0]=4 1251 B15R1.31 CCOCCNC(=O)c1cccc(c1)I 11a_100011200944_100000184098 [0,1,1,0,0,0|2,0,0]=4 1252 B15R1.31 CCOCCNC(=O)c1cccc(c1)I 1626a_102516460346_100000184098 [0,1,1,0,0,0|2,0,0]=4 1253 B15R1.31 CCOCCNC(=O)c1cccc(c1)I 240690a_100011200944_100000184098 [0,1,1,0,0,0|2,0,0]=4 1254 B15R1.31 CCOCCNC(=O)c1cccc(c1)I 527a_100011200944_100000184098 [0,1,1,0,0,0|2,0,0]=4 1255 B15R1.31 CCOCCNC(=O)c1cccc(c1)O 240690a_100011200944_100000183914 [0,1,1,0,0,0|2,0,0]=4 1256 B15R1.31 CCOCCNC(=O)c1cccc(c1)O 527a_100011200944_100000183914 [0,1,1,0,0,0|2,0,0]=4 1257 B15R1.31 CCSCCNC(=O)c1cccc(c1)Br 11a_100000106463_100000210664 [0,1,1,0,0,0|2,0,0]=4 1258 B15R1.31 CCSCCNC(=O)c1cccc(c1)Br 1626a_100000106463_100000210664 [0,1,1,0,0,0|2,0,0]=4 1259 B15R1.31 CCSCCNC(=O)c1cccc(c1)Br 240690a_100000106463_100000210664 [0,1,1,0,0,0|2,0,0]=4 1260 B15R1.31 CCSCCNC(=O)c1cccc(c1)Br 527a_100000106463_100000210664 [0,1,1,0,0,0|2,0,0]=4 1261 B15R1.31 CCSCCNC(=O)c1cccc(c1)C 11a_100000106463_100000189346 [0,1,1,0,0,0|2,0,0]=4 1262 B15R1.31 CCSCCNC(=O)c1cccc(c1)C 1626a_100000106463_100000189346 [0,1,1,0,0,0|2,0,0]=4 1263 B15R1.31 CCSCCNC(=O)c1cccc(c1)C 240690a_100000106463_100000189346 [0,1,1,0,0,0|2,0,0]=4 1264 B15R1.31 CCSCCNC(=O)c1cccc(c1)C 527a_100000106463_100000189346 [0,1,1,0,0,0|2,0,0]=4 1265 B15R1.31 CCSCCNC(=O)c1cccc(c1)Cl 11a_100000106463_100000210390 [0,1,1,0,0,0|2,0,0]=4 1266 B15R1.31 CCSCCNC(=O)c1cccc(c1)Cl 1626a_100000106463_100000210390 [0,1,1,0,0,0|2,0,0]=4 1267 B15R1.31 CCSCCNC(=O)c1cccc(c1)Cl 240690a_100000106463_100000210390 [0,1,1,0,0,0|2,0,0]=4 1268 B15R1.31 CCSCCNC(=O)c1cccc(c1)Cl 527a_100000106463_100000210390 [0,1,1,0,0,0|2,0,0]=4 1269 B15R1.31 CCSCCNC(=O)c1cccc(c1)F 11a_100000106463_100000210950 [0,1,1,0,0,0|2,0,0]=4 1270 B15R1.31 CCSCCNC(=O)c1cccc(c1)F 1626a_100000106463_100000210950 [0,1,1,0,0,0|2,0,0]=4 1271 B15R1.31 CCSCCNC(=O)c1cccc(c1)F 240690a_100000106463_100000210950 [0,1,1,0,0,0|2,0,0]=4 1272 B15R1.31 CCSCCNC(=O)c1cccc(c1)F 527a_100000106463_100000210950 [0,1,1,0,0,0|2,0,0]=4 1273 B15R1.31 CCSCCNC(=O)c1cccc(c1)I 11a_100000106463_100000184098 [0,1,1,0,0,0|2,0,0]=4 1274 B15R1.31 CCSCCNC(=O)c1cccc(c1)I 1626a_100000106463_100000184098 [0,1,1,0,0,0|2,0,0]=4 1275 B15R1.31 CCSCCNC(=O)c1cccc(c1)I 240690a_100000106463_100000184098 [0,1,1,0,0,0|2,0,0]=4 1276 B15R1.31 CCSCCNC(=O)c1cccc(c1)I 527a_100000106463_100000184098 [0,1,1,0,0,0|2,0,0]=4 1277 B15R1.31 CCSCCNC(=O)c1cccc(c1)O 240690a_100000106463_100000183914 [0,1,1,0,0,0|2,0,0]=4 1278 B15R1.31 CCSCCNC(=O)c1cccc(c1)O 527a_100000106463_100000183914 [0,1,1,0,0,0|2,0,0]=4 1279 B15R1.31 CNCCCNC(=O)c1cccc(c1)Br 2230a_100000748816_200000210301 [0,1,1,0,0,0|2,0,0]=4 1280 B15R1.31 COCCCCC(=O)c1cccc(c1)Br 1458a_100000210664_100000755781 [0,1,1,0,0,0|2,0,0]=4 1281 B15R1.31 COCCCCC(=O)c1cccc(c1)C 1458a_100000189346_100000755781 [0,1,1,0,0,0|2,0,0]=4 1282 B15R1.31 COCCCCC(=O)c1cccc(c1)Cl 1458a_100000210390_100000755781 [0,1,1,0,0,0|2,0,0]=4 1283 B15R1.31 COCCCCC(=O)c1cccc(c1)F 1458a_100000210950_100000755781 [0,1,1,0,0,0|2,0,0]=4 1284 B15R1.31 COCCCCC(=O)c1cccc(c1)I 1458a_100000184098_100000755781 [0,1,1,0,0,0|2,0,0]=4 1285 B15R1.31 COCCCCC(=O)c1cccc(c1)O 1458a_100000183914_100000755781 [0,1,1,0,0,0|2,0,0]=4 1286 B15R1.31 COCCCNC(=O)c1cccc(c1)Br 1626a_100150723488_100000210664 [0,1,1,0,0,0|2,0,0]=4 1287 B15R1.31 COCCCNC(=O)c1cccc(c1)Br 240690a_100150723488_100000210664 [0,1,1,0,0,0|2,0,0]=4 1288 B15R1.31 COCCCNC(=O)c1cccc(c1)Br 527a_100150723488_100000210664 [0,1,1,0,0,0|2,0,0]=4 1289 B15R1.31 COCCCNC(=O)c1cccc(c1)C 1626a_100150723488_100000189346 [0,1,1,0,0,0|2,0,0]=4 1290 B15R1.31 COCCCNC(=O)c1cccc(c1)C 240690a_100150723488_100000189346 [0,1,1,0,0,0|2,0,0]=4 1291 B15R1.31 COCCCNC(=O)c1cccc(c1)C 527a_100150723488_100000189346 [0,1,1,0,0,0|2,0,0]=4 1292 B15R1.31 COCCCNC(=O)c1cccc(c1)Cl 1626a_100150723488_100000210390 [0,1,1,0,0,0|2,0,0]=4 1293 B15R1.31 COCCCNC(=O)c1cccc(c1)Cl 240690a_100150723488_100000210390 [0,1,1,0,0,0|2,0,0]=4 1294 B15R1.31 COCCCNC(=O)c1cccc(c1)Cl 527a_100150723488_100000210390 [0,1,1,0,0,0|2,0,0]=4 1295 B15R1.31 COCCCNC(=O)c1cccc(c1)F 1626a_100150723488_100000210950 [0,1,1,0,0,0|2,0,0]=4 1296 B15R1.31 COCCCNC(=O)c1cccc(c1)F 240690a_100150723488_100000210950 [0,1,1,0,0,0|2,0,0]=4 1297 B15R1.31 COCCCNC(=O)c1cccc(c1)F 527a_100150723488_100000210950 [0,1,1,0,0,0|2,0,0]=4 1298 B15R1.31 COCCCNC(=O)c1cccc(c1)I 1626a_100150723488_100000184098 [0,1,1,0,0,0|2,0,0]=4 1299 B15R1.31 COCCCNC(=O)c1cccc(c1)I 240690a_100150723488_100000184098 [0,1,1,0,0,0|2,0,0]=4 1300 B15R1.31 COCCCNC(=O)c1cccc(c1)I 527a_100150723488_100000184098 [0,1,1,0,0,0|2,0,0]=4 1301 B15R1.31 COCCCNC(=O)c1cccc(c1)O 240690a_100150723488_100000183914 [0,1,1,0,0,0|2,0,0]=4 1302 B15R1.31 COCCCNC(=O)c1cccc(c1)O 527a_100150723488_100000183914 [0,1,1,0,0,0|2,0,0]=4 1303 B15R1.31 CSCCCNC(=O)c1cccc(c1)Br 11a_100000749238_100000210664 [0,1,1,0,0,0|2,0,0]=4 1304 B15R1.31 CSCCCNC(=O)c1cccc(c1)Br 1626a_100000749238_100000210664 [0,1,1,0,0,0|2,0,0]=4 1305 B15R1.31 CSCCCNC(=O)c1cccc(c1)Br 240690a_100000749238_100000210664 [0,1,1,0,0,0|2,0,0]=4 1306 B15R1.31 CSCCCNC(=O)c1cccc(c1)Br 527a_100000749238_100000210664 [0,1,1,0,0,0|2,0,0]=4 1307 B15R1.31 CSCCCNC(=O)c1cccc(c1)C 11a_100000749238_100000189346 [0,1,1,0,0,0|2,0,0]=4 1308 B15R1.31 CSCCCNC(=O)c1cccc(c1)C 1626a_100000749238_100000189346 [0,1,1,0,0,0|2,0,0]=4 1309 B15R1.31 CSCCCNC(=O)c1cccc(c1)C 240690a_100000749238_100000189346 [0,1,1,0,0,0|2,0,0]=4 1310 B15R1.31 CSCCCNC(=O)c1cccc(c1)C 527a_100000749238_100000189346 [0,1,1,0,0,0|2,0,0]=4 1311 B15R1.31 CSCCCNC(=O)c1cccc(c1)Cl 11a_100000749238_100000210390 [0,1,1,0,0,0|2,0,0]=4 1312 B15R1.31 CSCCCNC(=O)c1cccc(c1)Cl 1626a_100000749238_100000210390 [0,1,1,0,0,0|2,0,0]=4 1313 B15R1.31 CSCCCNC(=O)c1cccc(c1)Cl 240690a_100000749238_100000210390 [0,1,1,0,0,0|2,0,0]=4 1314 B15R1.31 CSCCCNC(=O)c1cccc(c1)Cl 527a_100000749238_100000210390 [0,1,1,0,0,0|2,0,0]=4 1315 B15R1.31 CSCCCNC(=O)c1cccc(c1)F 11a_100000749238_100000210950 [0,1,1,0,0,0|2,0,0]=4 1316 B15R1.31 CSCCCNC(=O)c1cccc(c1)F 1626a_100000749238_100000210950 [0,1,1,0,0,0|2,0,0]=4 1317 B15R1.31 CSCCCNC(=O)c1cccc(c1)F 240690a_100000749238_100000210950 [0,1,1,0,0,0|2,0,0]=4 1318 B15R1.31 CSCCCNC(=O)c1cccc(c1)F 527a_100000749238_100000210950 [0,1,1,0,0,0|2,0,0]=4 1319 B15R1.31 CSCCCNC(=O)c1cccc(c1)I 11a_100000749238_100000184098 [0,1,1,0,0,0|2,0,0]=4 1320 B15R1.31 CSCCCNC(=O)c1cccc(c1)I 1626a_100000749238_100000184098 [0,1,1,0,0,0|2,0,0]=4 1321 B15R1.31 CSCCCNC(=O)c1cccc(c1)I 240690a_100000749238_100000184098 [0,1,1,0,0,0|2,0,0]=4 1322 B15R1.31 CSCCCNC(=O)c1cccc(c1)I 527a_100000749238_100000184098 [0,1,1,0,0,0|2,0,0]=4 1323 B15R1.31 CSCCCNC(=O)c1cccc(c1)O 240690a_100000749238_100000183914 [0,1,1,0,0,0|2,0,0]=4 1324 B15R1.31 CSCCCNC(=O)c1cccc(c1)O 527a_100000749238_100000183914 [0,1,1,0,0,0|2,0,0]=4 1325 B15R1.31 Cc1cccc(c1)C(=O)CCCCCF 1458a_100000189346_100000729378 [0,1,1,0,0,0|2,0,0]=4 1326 B15R1.31 Cc1cccc(c1)C(=O)CCCCCO 1458a_100000189346_100000746330 [0,1,1,0,0,0|2,0,0]=4 1327 B15R1.31 Cc1cccc(c1)C(=O)NCCCCO 240690a_100000750430_100000189346 [0,1,1,0,0,0|2,0,0]=4 1328 B15R1.31 Cc1cccc(c1)C(=O)NCCCCO 527a_100000750430_100000189346 [0,1,1,0,0,0|2,0,0]=4 1329 B15R1.31 O=C(CCCCCF)c1cccc(c1)Br 1458a_100000210664_100000729378 [0,1,1,0,0,0|2,0,0]=4 1330 B15R1.31 O=C(CCCCCF)c1cccc(c1)Cl 1458a_100000210390_100000729378 [0,1,1,0,0,0|2,0,0]=4 1331 B15R1.31 O=C(CCCCCF)c1cccc(c1)F 1458a_100000210950_100000729378 [0,1,1,0,0,0|2,0,0]=4 1332 B15R1.31 O=C(CCCCCF)c1cccc(c1)I 1458a_100000184098_100000729378 [0,1,1,0,0,0|2,0,0]=4 1333 B15R1.31 O=C(CCCCCF)c1cccc(c1)O 1458a_100000183914_100000729378 [0,1,1,0,0,0|2,0,0]=4 1334 B15R1.31 O=C(CCCCCO)c1cccc(c1)Br 1458a_100000210664_100000746330 [0,1,1,0,0,0|2,0,0]=4 1335 B15R1.31 O=C(CCCCCO)c1cccc(c1)Cl 1458a_100000210390_100000746330 [0,1,1,0,0,0|2,0,0]=4 1336 B15R1.31 O=C(CCCCCO)c1cccc(c1)F 1458a_100000210950_100000746330 [0,1,1,0,0,0|2,0,0]=4 1337 B15R1.31 O=C(CCCCCO)c1cccc(c1)I 1458a_100000184098_100000746330 [0,1,1,0,0,0|2,0,0]=4 1338 B15R1.31 O=C(CCCCCO)c1cccc(c1)O 1458a_100000183914_100000746330 [0,1,1,0,0,0|2,0,0]=4 1339 B15R1.31 O=C(NCCCCO)c1cccc(c1)Br 240690a_100000750430_100000210664 [0,1,1,0,0,0|2,0,0]=4 1340 B15R1.31 O=C(NCCCCO)c1cccc(c1)Br 527a_100000750430_100000210664 [0,1,1,0,0,0|2,0,0]=4 1341 B15R1.31 O=C(NCCCCO)c1cccc(c1)Cl 240690a_100000750430_100000210390 [0,1,1,0,0,0|2,0,0]=4 1342 B15R1.31 O=C(NCCCCO)c1cccc(c1)Cl 527a_100000750430_100000210390 [0,1,1,0,0,0|2,0,0]=4 1343 B15R1.31 O=C(NCCCCO)c1cccc(c1)F 240690a_100000750430_100000210950 [0,1,1,0,0,0|2,0,0]=4 1344 B15R1.31 O=C(NCCCCO)c1cccc(c1)F 527a_100000750430_100000210950 [0,1,1,0,0,0|2,0,0]=4 1345 B15R1.31 O=C(NCCCCO)c1cccc(c1)I 240690a_100000750430_100000184098 [0,1,1,0,0,0|2,0,0]=4 1346 B15R1.31 O=C(NCCCCO)c1cccc(c1)I 527a_100000750430_100000184098 [0,1,1,0,0,0|2,0,0]=4 1347 B15R1.31 O=C(NCCCCO)c1cccc(c1)O 240690a_100000750430_100000183914 [0,1,1,0,0,0|2,0,0]=4 1348 B15R1.31 O=C(NCCCCO)c1cccc(c1)O 527a_100000750430_100000183914 [0,1,1,0,0,0|2,0,0]=4 1349 B15R1.31 [13CH3]NCCCNC(=O)c1cccc(c1)Br 2230a_100000748816_200025704644 [0,1,1,0,0,0|2,0,0]=4 1350 B15R1.33 C#CC(OCCCCC)c1ccccc1 34a_100011219616_100000718602 [0,1,1,0,0,0|1,0,1]=4 1351 B15R1.33 C#CC(OCCCCC)c1ccccc1 7a_100011219616_100000210326 [0,1,1,0,0,0|1,0,1]=4 1352 B15R1.33 C=CC(OCCCCC)c1ccccc1 34a_100011215659_100000718602 [0,1,1,0,0,0|1,0,1]=4 1353 B15R1.33 C=CC(OCCCCC)c1ccccc1 7a_100011215659_100000210326 [0,1,1,0,0,0|1,0,1]=4 1354 B15R1.33 CCCCCOC(C#N)c1ccccc1 7a_100011217353_100000210326 [0,1,1,0,0,0|1,0,1]=4 1355 B15R1.33 CCCCCOC(CBr)c1ccccc1 7a_100000185958_100000210326 [0,1,1,0,0,0|1,0,1]=4 1356 B15R1.33 CCCCCOC(CC)c1ccccc1 34a_100000698172_100000718602 [0,1,1,0,0,0|1,0,1]=4 1357 B15R1.33 CCCCCOC(CC)c1ccccc1 7a_100000698172_100000210326 [0,1,1,0,0,0|1,0,1]=4 1358 B15R1.33 CCCCCOC(CN)c1ccccc1 34a_100000210709_100000718602 [0,1,1,0,0,0|1,0,1]=4 1359 B15R1.33 CCCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000718602 [0,1,1,0,0,0|1,0,1]=4 1360 B15R1.33 CCCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210326 [0,1,1,0,0,0|1,0,1]=4 1361 B15R1.89 CCCC(=O)CCC(=O)c1ccccc1 1458a_100000211992_100000750707 [0,1,1,0,0,0|1,0,1]=4 1362 B15R1.89 CCCC(=O)CNC(=O)c1ccccc1 1458a_100000182045_100000210303 [0,1,1,0,0,0|1,0,1]=4 1363 B15R1.89 CCCC(=O)COC(=O)c1ccccc1 1458a_100000211992_100000073877 [0,1,1,0,0,0|0,0,1]=3 1364 B15R1.89 CCCC(C)COC(C)c1ccccc1 34a_100000688023_100000211855 [0,1,1,0,0,0|1,0,1]=4 1365 B15R1.89 CCCC(C)COC(C)c1ccccc1 7a_100000688023_100000230085 [0,1,1,0,0,0|1,0,1]=4 1366 B15R1.89 CCCC(C)CO[C@H](C)c1ccccc1 34a_100000761318_100011216630 [0,1,1,0,0,0|1,0,1]=4 1367 B15R1.89 CCCC(C)CO[C@H](C)c1ccccc1 7a_100000761318_100011216630 [0,1,1,0,0,0|1,0,1]=4 1368 B15R1.89 CCCC(C)OCC(=O)c1ccccc1 7a_100000764384_100000211460 [0,1,1,0,0,0|2,0,0]=4 1369 B15R1.89 CCCC(C)SCC(=O)c1ccccc1 62a_100000211460_100000766640 [0,1,1,0,0,0|2,0,0]=4 1370 B15R1.89 CCCC(C)SCC(=O)c1ccccc1 62a_100000766640_100000211460 [0,1,1,0,0,0|2,0,0]=4 1371 B15R1.89 CCCN(C)CCC(=O)c1ccccc1 2230a_100000747261_100000750707 [0,1,1,0,0,0|2,0,0]=4 1372 B15R1.89 CCCN(C)CCC(=O)c1ccccc1 269982a_100000747261_100000750707 [0,1,1,0,0,0|2,0,0]=4 1373 B15R1.89 CCCN(C)COC(=O)c1ccccc1 269982a_100000747261_100000073877 [0,1,1,0,0,0|1,0,0]=3 1374 B15R1.89 CCC[C@H](N)COC(C)c1ccccc1 34a_100000732646_100000211855 [0,1,1,0,0,0|1,0,1]=4 1375 B15R1.89 CCNC(C)COC(=O)c1ccccc1 270004a_100015525214_100000000904 [0,1,1,0,0,0|1,0,0]=3 1376 B15R1.89 CCOC(C)CCC(=O)c1ccccc1 7a_200012571355_100000210202 [0,1,1,0,0,0|2,0,0]=4 1377 B15R1.89 CN(CCO)COC(=O)c1ccccc1 269982a_100000210263_100000073877 [0,1,1,0,0,0|2,0,0]=4 1378 B15R1.89 COCC(=O)COC(=O)c1ccccc1 1458a_100000210968_100000073877 [0,1,1,0,0,0|1,0,1]=4 1379 B15R1.89 COCC(O)CNC(=O)c1ccccc1 240690a_100000756049_100000185807 [0,1,1,0,0,0|2,0,0]=4 1380 B15R1.89 COCC(O)CNC(=O)c1ccccc1 527a_100000756049_100000185807 [0,1,1,0,0,0|2,0,0]=4 1381 B15R1.89 CSCC(=O)COC(=O)c1ccccc1 1458a_100000184570_100000073877 [0,1,1,0,0,0|1,0,1]=4 1382 B15R1.89 O=C(CCO)COC(=O)c1ccccc1 1458a_100011216618_100000073877 [0,1,1,0,0,0|1,0,1]=4 1383 B15R1.93 C=C(C(=O)CCCCC)c1ccccc1 1458a_100000065200_100000210326 [0,1,1,0,0,0|2,0,0]=4 1384 B15R1.93 CCCCCC(C)C(=O)c1ccccc1 1458a_100000185807_200011218191 [0,1,1,0,0,0|1,0,0]=3 1385 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 11a_100000223495_100000185807 [0,1,1,0,0,0|1,0,0]=3 1386 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 1626a_100000223495_100000185807 [0,1,1,0,0,0|1,0,0]=3 1387 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 240690a_100000223495_100000185807 [0,1,1,0,0,0|1,0,0]=3 1388 B15R1.93 CCCCCN(C)C(=O)c1ccccc1 527a_100000223495_100000185807 [0,1,1,0,0,0|1,0,0]=3 1389 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 2230a_100000102301_100000239700 [0,1,1,0,0,0|2,0,0]=4 1390 B15R1.93 CCCCNC(C)C(=O)c1ccccc1 7a_106832991798_100000239700 [0,1,1,0,0,0|2,0,0]=4 1391 B15R1.93 CCCCOC(C)C(=O)c1ccccc1 7a_100000210227_100000239700 [0,1,1,0,0,0|2,0,0]=4 1392 B15R1.93 CCCCSC(C)C(=O)c1ccccc1 62a_100000210211_100000239700 [0,1,1,0,0,0|2,0,0]=4 1393 B15R1.93 CCCCSC(C)C(=O)c1ccccc1 62a_100000239700_100000210210 [0,1,1,0,0,0|2,0,0]=4 1394 B15R1.93 CN(CCCCO)C(=O)c1ccccc1 240690a_100000717598_100000185807 [0,1,1,0,0,0|2,0,0]=4 1395 B15R1.93 COCCCN(C)C(=O)c1ccccc1 11a_100000224831_100000185807 [0,1,1,0,0,0|2,0,0]=4 1396 B15R1.93 COCCCN(C)C(=O)c1ccccc1 1626a_100000224831_100000185807 [0,1,1,0,0,0|2,0,0]=4 1397 B15R1.93 COCCCN(C)C(=O)c1ccccc1 240690a_100000224831_100000185807 [0,1,1,0,0,0|2,0,0]=4 1398 B15R1.93 COCCCN(C)C(=O)c1ccccc1 527a_100000224831_100000185807 [0,1,1,0,0,0|2,0,0]=4 1399 B15R1.115 CCCCC(=O)CC(=O)c1ccccc1 1458a_100000210183_100000211460 [0,1,1,0,0,0|1,0,1]=4 1400 B15R1.115 CCCCC(C)NC(=O)c1ccccc1 11a_100000126638_100000185807 [0,1,1,0,0,0|1,0,0]=3 1401 B15R1.115 CCCCC(C)NC(=O)c1ccccc1 1626a_100000126638_100000185807 [0,1,1,0,0,0|1,0,0]=3 1402 B15R1.115 CCCCC(C)NC(=O)c1ccccc1 240690a_100000126638_100000185807 [0,1,1,0,0,0|1,0,0]=3 1403 B15R1.115 CCCCC(C)NC(=O)c1ccccc1 527a_100000126638_100000185807 [0,1,1,0,0,0|1,0,0]=3 1404 B15R1.115 CCCCC(C)OC(C)c1ccccc1 34a_100000687866_100000211855 [0,1,1,0,0,0|1,0,1]=4 1405 B15R1.115 CCCCC(C)OC(C)c1ccccc1 7a_100000687866_100000230085 [0,1,1,0,0,0|1,0,1]=4 1406 B15R1.115 CCCCC(C)O[C@H](C)c1ccccc1 34a_100000761318_200011215066 [0,1,1,0,0,0|1,0,1]=4 1407 B15R1.115 CCCCC(C)O[C@H](C)c1ccccc1 7a_100000761318_200011215066 [0,1,1,0,0,0|1,0,1]=4 1408 B15R1.115 CCCCN(C)CC(=O)c1ccccc1 269982a_100000207549_100000211460 [0,1,1,0,0,0|2,0,0]=4 1409 B15R1.138 C#CCCCCCC(=O)c1ccccc1 1458a_100000185807_100012094781 [0,1,1,0,0,0|1,0,1]=4 1410 B15R1.138 C#CCCCCNC(=O)c1ccccc1 11a_100000706060_100000185807 [0,1,1,0,0,0|1,0,1]=4 1411 B15R1.138 C#CCCCCNC(=O)c1ccccc1 1626a_100000706060_100000185807 [0,1,1,0,0,0|1,0,1]=4 1412 B15R1.138 C#CCCCCNC(=O)c1ccccc1 240690a_100000706060_100000185807 [0,1,1,0,0,0|1,0,1]=4 1413 B15R1.138 C#CCCCCNC(=O)c1ccccc1 527a_100000706060_100000185807 [0,1,1,0,0,0|1,0,1]=4 1414 B15R1.138 C#CCCCOCC(=O)c1ccccc1 7a_100000215630_100000211460 [0,1,1,0,0,0|0,0,2]=4 1415 B15R1.138 C#CCCSCOC(=O)c1ccccc1 62a_100000073877_100000688953 [0,1,1,0,0,0|0,0,2]=4 1416 B15R1.138 C#CCCSCOC(=O)c1ccccc1 62a_100000688953_100000073877 [0,1,1,0,0,0|0,0,2]=4 1417 B15R1.138 C#CCNCCOC(=O)c1ccccc1 34a_100000212058_100009812718 [0,1,1,0,0,0|0,0,2]=4 1418 B15R1.138 C#CCOCCOC(=O)c1ccccc1 34a_100000210247_100009812718 [0,1,1,0,0,0|0,0,2]=4 1419 B15R1.138 C#CCOCCOC(=O)c1ccccc1 7a_100000025465_100000038162 [0,1,1,0,0,0|0,0,2]=4 1420 B15R1.138 C#CCSCCOC(=O)c1ccccc1 62a_100000038162_100009812718 [0,1,1,0,0,0|0,0,2]=4 1421 B15R1.138 C/C=C/CSCOC(=O)c1ccccc1 62a_100000073877_100102629194 [0,1,1,0,0,0|0,0,2]=4 1422 B15R1.138 C/C=C/CSCOC(=O)c1ccccc1 62a_100102629194_100000073877 [0,1,1,0,0,0|0,0,2]=4 1423 B15R1.138 C=CCCCCCC(=O)c1ccccc1 1458a_100000185807_100000700193 [0,1,1,0,0,0|1,0,1]=4 1424 B15R1.138 C=CCCCCNC(=O)c1ccccc1 11a_100000703577_100000185807 [0,1,1,0,0,0|1,0,1]=4 1425 B15R1.138 C=CCCCCNC(=O)c1ccccc1 1626a_100000703577_100000185807 [0,1,1,0,0,0|1,0,1]=4 1426 B15R1.138 C=CCCCCNC(=O)c1ccccc1 240690a_100000703577_100000185807 [0,1,1,0,0,0|1,0,1]=4 1427 B15R1.138 C=CCCCCNC(=O)c1ccccc1 527a_100000703577_100000185807 [0,1,1,0,0,0|1,0,1]=4 1428 B15R1.138 C=CCCCOCC(=O)c1ccccc1 7a_100000758997_100000211460 [0,1,1,0,0,0|0,0,2]=4 1429 B15R1.138 C=CCCSCOC(=O)c1ccccc1 62a_100000073877_100000754431 [0,1,1,0,0,0|0,0,2]=4 1430 B15R1.138 C=CCCSCOC(=O)c1ccccc1 62a_100000754431_100000073877 [0,1,1,0,0,0|0,0,2]=4 1431 B15R1.138 C=CCOCCOC(=O)c1ccccc1 34a_200000210373_100009812718 [0,1,1,0,0,0|0,0,2]=4 1432 B15R1.138 C=CCOCCOC(=O)c1ccccc1 7a_100000025465_100015514636 [0,1,1,0,0,0|0,0,2]=4 1433 B15R1.138 C=CCSCCOC(=O)c1ccccc1 62a_100000210623_100009812718 [0,1,1,0,0,0|0,0,2]=4 1434 B15R1.138 C=CCSCCOC(=O)c1ccccc1 62a_100009812718_100000210623 [0,1,1,0,0,0|0,0,2]=4 1435 B15R1.138 CC#CCSCOC(=O)c1ccccc1 62a_100000073877_100000748600 [0,1,1,0,0,0|0,0,2]=4 1436 B15R1.138 CC#CCSCOC(=O)c1ccccc1 62a_100000748600_100000073877 [0,1,1,0,0,0|0,0,2]=4 1437 B15R1.138 CC(OCCCCCBr)c1ccccc1 34a_100000746331_100000211855 [0,1,1,0,0,0|1,0,1]=4 1438 B15R1.138 CC(OCCCCCBr)c1ccccc1 7a_100000746331_100000230085 [0,1,1,0,0,0|1,0,1]=4 1439 B15R1.138 CC(OCCCCCCl)c1ccccc1 34a_100000746330_100000211855 [0,1,1,0,0,0|1,0,1]=4 1440 B15R1.138 CC(OCCCCCCl)c1ccccc1 7a_100000746330_100000230085 [0,1,1,0,0,0|1,0,1]=4 1441 B15R1.138 CC(OCCCCCI)c1ccccc1 34a_200012148887_100000211855 [0,1,1,0,0,0|1,0,1]=4 1442 B15R1.138 CC(OCCCCCI)c1ccccc1 7a_200012148887_100000230085 [0,1,1,0,0,0|1,0,1]=4 1443 B15R1.138 CC(OCCCCCN)c1ccccc1 34a_100000762737_100000211855 [0,1,1,0,0,0|1,0,1]=4 1444 B15R1.138 CC=CCSCOC(=O)c1ccccc1 62a_100000070051_100000073877 [0,1,1,0,0,0|0,0,2]=4 1445 B15R1.138 CC=CCSCOC(=O)c1ccccc1 62a_100000073877_100000070051 [0,1,1,0,0,0|0,0,2]=4 1446 B15R1.138 CCCCC=NNC(=O)c1ccccc1 4a_100000184135_100000210104 [0,1,1,0,0,0|1,0,1]=4 1447 B15R1.138 CCCCCCCC(=O)c1ccccc1 1458a_100000185807_100000210614 [0,1,1,0,0,0|1,0,0]=3 1448 B15R1.138 CCCCCCNC(=O)c1ccccc1 11a_100000210581_100000185807 [0,1,1,0,0,0|1,0,0]=3 1449 B15R1.138 CCCCCCNC(=O)c1ccccc1 1626a_100000210581_100000185807 [0,1,1,0,0,0|1,0,0]=3 1450 B15R1.138 CCCCCCNC(=O)c1ccccc1 240690a_100000210581_100000185807 [0,1,1,0,0,0|1,0,0]=3 1451 B15R1.138 CCCCCCNC(=O)c1ccccc1 527a_100000210581_100000185807 [0,1,1,0,0,0|1,0,0]=3 1452 B15R1.138 CCCCCCOC(C)c1ccccc1 34a_100000210259_100000211855 [0,1,1,0,0,0|1,0,1]=4 1453 B15R1.138 CCCCCCOC(C)c1ccccc1 7a_100000210259_100000230085 [0,1,1,0,0,0|1,0,1]=4 1454 B15R1.138 CCCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000210314 [0,1,1,0,0,0|1,0,1]=4 1455 B15R1.138 CCCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000210314 [0,1,1,0,0,0|1,0,1]=4 1456 B15R1.138 CCCCCNN=C(C)c1ccccc1 4a_100000694160_100000185851 [0,1,1,0,0,0|2,0,0]=4 1457 B15R1.138 CCCCCNNC(=O)c1ccccc1 22a_100000694160_100000185807 [0,1,1,0,0,0|1,0,0]=3 1458 B15R1.138 CCCCCOCC(=O)c1ccccc1 7a_100000210253_100000211460 [0,1,1,0,0,0|0,0,0]=2 1459 B15R1.138 CCCCCOCC(=O)c1ccccn1 34a_100000210253_100000027445 [0,1,1,0,0,0|1,0,0]=3 1460 B15R1.138 CCCCCOCC(=O)c1ccccn1 7a_100000210253_100000027445 [0,1,1,0,0,0|1,0,0]=3 1461 B15R1.138 CCCCCOCC(=O)c1ccncc1 7a_100000210253_100015248511 [0,1,1,0,0,0|1,0,0]=3 1462 B15R1.138 CCCCCOCC(C)c1ccccc1 34a_100000210253_100000756946 [0,1,1,0,0,0|1,0,1]=4 1463 B15R1.138 CCCCCOCC(C)c1ccccc1 34a_100011215166_100000718602 [0,1,1,0,0,0|1,0,1]=4 1464 B15R1.138 CCCCCOCC(C)c1ccccc1 7a_100000210253_100000756946 [0,1,1,0,0,0|1,0,1]=4 1465 B15R1.138 CCCCCOCC(C)c1ccccc1 7a_100011215166_100000210326 [0,1,1,0,0,0|1,0,1]=4 1466 B15R1.138 CCCCCOCC(O)c1ccccc1 34a_100000210253_100000185958 [0,1,1,0,0,0|0,0,2]=4 1467 B15R1.138 CCCCCOCC(O)c1ccccc1 7a_100000210253_100000185958 [0,1,1,0,0,0|0,0,2]=4 1468 B15R1.138 CCCCCOC[C@@H](N)c1ccccc1 34a_100000751927_100000718602 [0,1,1,0,0,0|1,0,1]=4 1469 B15R1.138 CCCCCOC[C@@H](O)c1ccccc1 34a_100000210253_100011933945 [0,1,1,0,0,0|0,0,2]=4 1470 B15R1.138 CCCCCOC[C@@H](O)c1ccccc1 7a_100000210253_100011933945 [0,1,1,0,0,0|0,0,2]=4 1471 B15R1.138 CCCCCSCC(=O)c1ccccc1 62a_100000210326_100000211460 [0,1,1,0,0,0|0,1,0]=3 1472 B15R1.138 CCCCCSCC(=O)c1ccccc1 62a_100000211460_100000210326 [0,1,1,0,0,0|0,1,0]=3 1473 B15R1.138 CCCCCSCC(=O)c1ccccn1 62a_100000027445_100000210326 [0,1,1,0,0,0|1,1,0]=4 1474 B15R1.138 CCCCCSCC(=O)c1ccccn1 62a_100000210326_100000027445 [0,1,1,0,0,0|1,1,0]=4 1475 B15R1.138 CCCCCSCC(=O)c1cccnc1 62a_100000210326_100000757877 [0,1,1,0,0,0|1,1,0]=4 1476 B15R1.138 CCCCCSCC(=O)c1cccnc1 62a_100000757877_100000210326 [0,1,1,0,0,0|1,1,0]=4 1477 B15R1.138 CCCCCSCC(=O)c1ccncc1 62a_100000027454_100000210326 [0,1,1,0,0,0|1,1,0]=4 1478 B15R1.138 CCCCCSCC(=O)c1ccncc1 62a_100000210326_100000027454 [0,1,1,0,0,0|1,1,0]=4 1479 B15R1.138 CCCCCSCS(=O)c1ccccc1 62a_100000210326_100000031784 [0,1,1,0,0,0|1,1,0]=4 1480 B15R1.138 CCCCNCCC(=O)c1ccccc1 2230a_100000102301_100000750707 [0,1,1,0,0,0|1,0,0]=3 1481 B15R1.138 CCCCNCCC(=O)c1ccccc1 7a_106832991798_100000750707 [0,1,1,0,0,0|1,0,0]=3 1482 B15R1.138 CCCCNCCS(=O)c1ccccc1 2230a_100000102301_100000740319 [0,1,1,0,0,0|2,0,0]=4 1483 B15R1.138 CCCCNCCS(=O)c1ccccc1 7a_106832991798_100000740319 [0,1,1,0,0,0|2,0,0]=4 1484 B15R1.138 CCCCNCOC(=O)c1ccccc1 7a_106832991798_100000073877 [0,1,1,0,0,0|0,0,0]=2 1485 B15R1.138 CCCCOCCC(=O)c1ccccc1 1458a_100000185807_100000743108 [0,1,1,0,0,0|1,0,0]=3 1486 B15R1.138 CCCCOCCC(=O)c1ccccc1 7a_100000210227_100000750707 [0,1,1,0,0,0|1,0,0]=3 1487 B15R1.138 CCCCOCCS(=O)c1ccccc1 7a_100000210227_100000740319 [0,1,1,0,0,0|2,0,0]=4 1488 B15R1.138 CCCCOCOC(=O)c1ccccc1 7a_100000210227_100000073877 [0,1,1,0,0,0|0,0,0]=2 1489 B15R1.138 CCCCOCO[C@H](C)c1ccccc1 34a_100000761318_100011995733 [0,1,1,0,0,0|1,0,1]=4 1490 B15R1.138 CCCCSCCC(=O)c1ccccc1 62a_100000210211_100000750707 [0,1,1,0,0,0|1,0,0]=3 1491 B15R1.138 CCCCSCCC(=O)c1ccccc1 62a_100000750707_100000210210 [0,1,1,0,0,0|1,0,0]=3 1492 B15R1.138 CCCCSCCS(=O)c1ccccc1 62a_100000210211_100000740319 [0,1,1,0,0,0|2,0,0]=4 1493 B15R1.138 CCCCSCOC(=O)c1ccccc1 62a_100000073877_100000210210 [0,1,1,0,0,0|0,0,0]=2 1494 B15R1.138 CCCCSCOC(=O)c1ccccc1 62a_100000210211_100000073877 [0,1,1,0,0,0|0,0,0]=2 1495 B15R1.138 CCCNCCNC(=O)c1ccccc1 2230a_100000736134_100000210303 [0,1,1,0,0,0|1,0,0]=3 1496 B15R1.138 CCCNCCNC(=O)c1ccncc1 2230a_200011198449_100000210303 [0,1,1,0,0,0|2,0,0]=4 1497 B15R1.138 CCCOCCNC(=O)c1ccccc1 1626a_100161115042_100000185807 [0,1,1,0,0,0|1,0,0]=3 1498 B15R1.138 CCCOCCNC(=O)c1ccccc1 240690a_100161115042_100000185807 [0,1,1,0,0,0|1,0,0]=3 1499 B15R1.138 CCCOCCNC(=O)c1ccccc1 34a_200000158897_100000210303 [0,1,1,0,0,0|1,0,0]=3 1500 B15R1.138 CCCOCCNC(=O)c1ccccc1 527a_100161115042_100000185807 [0,1,1,0,0,0|1,0,0]=3 1501 B15R1.138 CCCOCCNC(=O)c1ccccc1 7a_200000158897_100000210303 [0,1,1,0,0,0|1,0,0]=3 1502 B15R1.138 CCCOCCOC(=O)c1ccccc1 34a_100000210258_100009812718 [0,1,1,0,0,0|0,0,0]=2 1503 B15R1.138 CCCOCCOC(=O)c1ccccc1 7a_100000025465_100000210303 [0,1,1,0,0,0|0,0,0]=2 1504 B15R1.138 CCCOCCOC(C)c1ccccc1 34a_100000752267_100000211855 [0,1,1,0,0,0|1,0,1]=4 1505 B15R1.138 CCCOCCOC(C)c1ccccc1 7a_100000752267_100000230085 [0,1,1,0,0,0|1,0,1]=4 1506 B15R1.138 CCCOCCO[C@H](C)c1ccccc1 34a_100000761318_100011215938 [0,1,1,0,0,0|1,0,1]=4 1507 B15R1.138 CCCOCCO[C@H](C)c1ccccc1 7a_100000761318_100011215938 [0,1,1,0,0,0|1,0,1]=4 1508 B15R1.138 CCCSCCCC(=O)c1ccccc1 62a_100000210303_100000211006 [0,1,1,0,0,0|1,0,0]=3 1509 B15R1.138 CCCSCCCC(=O)c1ccccc1 62a_100000211006_100000210303 [0,1,1,0,0,0|1,0,0]=3 1510 B15R1.138 CCCSCCNC(=O)c1ccccc1 11a_100020603323_100000185807 [0,1,1,0,0,0|1,0,0]=3 1511 B15R1.138 CCCSCCNC(=O)c1ccccc1 240690a_100020603323_100000185807 [0,1,1,0,0,0|1,0,0]=3 1512 B15R1.138 CCCSCCNC(=O)c1ccccc1 527a_100020603323_100000185807 [0,1,1,0,0,0|1,0,0]=3 1513 B15R1.138 CCCSCCNC(=O)c1ccccc1 62a_100000210303_200011215302 [0,1,1,0,0,0|1,0,0]=3 1514 B15R1.138 CCCSCCNC(=O)c1ccccc1 62a_200011215302_100000210303 [0,1,1,0,0,0|1,0,0]=3 1515 B15R1.138 CCCSCCOC(=O)c1ccccc1 62a_100000210303_100009812718 [0,1,1,0,0,0|0,0,0]=2 1516 B15R1.138 CCCSCCOC(=O)c1ccccc1 62a_100009812718_100000210303 [0,1,1,0,0,0|0,0,0]=2 1517 B15R1.138 CCCSCCOC(C)c1ccccc1 34a_200000230433_100000211855 [0,1,1,0,0,0|1,0,1]=4 1518 B15R1.138 CCCSCCOC(C)c1ccccc1 7a_200000230433_100000230085 [0,1,1,0,0,0|1,0,1]=4 1519 B15R1.138 CCNCCCOC(C)c1ccccc1 2230a_100000206020_100000210202 [0,1,1,0,0,0|1,0,1]=4 1520 B15R1.138 CCNCCCOC(C)c1ccccc1 34a_100000206020_100000210202 [0,1,1,0,0,0|1,0,1]=4 1521 B15R1.138 CCOCCCNC(=O)c1ccccc1 11a_100000210961_100000185807 [0,1,1,0,0,0|1,0,0]=3 1522 B15R1.138 CCOCCCNC(=O)c1ccccc1 1626a_100000210961_100000185807 [0,1,1,0,0,0|1,0,0]=3 1523 B15R1.138 CCOCCCNC(=O)c1ccccc1 240690a_100000210961_100000185807 [0,1,1,0,0,0|1,0,0]=3 1524 B15R1.138 CCOCCCNC(=O)c1ccccc1 527a_100000210961_100000185807 [0,1,1,0,0,0|1,0,0]=3 1525 B15R1.138 CCOCCCOC(=O)c1ccccc1 34a_100121572206_200009892979 [0,1,1,0,0,0|0,0,0]=2 1526 B15R1.138 CCOCCCOC(C)c1ccccc1 34a_100000757476_100000211855 [0,1,1,0,0,0|1,0,1]=4 1527 B15R1.138 CCOCCCOC(C)c1ccccc1 7a_100000757476_100000230085 [0,1,1,0,0,0|1,0,1]=4 1528 B15R1.138 CCOCCCO[C@H](C)c1ccccc1 34a_100000761318_100012232248 [0,1,1,0,0,0|1,0,1]=4 1529 B15R1.138 CCOCCCO[C@H](C)c1ccccc1 7a_100000761318_100012232248 [0,1,1,0,0,0|1,0,1]=4 1530 B15R1.138 CCOCCNNC(=O)c1ccccc1 22a_100000732670_100000185807 [0,1,1,0,0,0|2,0,0]=4 1531 B15R1.138 CCOCCOCC(=O)c1ccccc1 7a_100000210136_100000211460 [0,1,1,0,0,0|1,0,0]=3 1532 B15R1.138 CCOCCOCC(=O)c1ccccn1 34a_100000210136_100000027445 [0,1,1,0,0,0|2,0,0]=4 1533 B15R1.138 CCOCCOCC(=O)c1ccccn1 7a_100000210136_100000027445 [0,1,1,0,0,0|2,0,0]=4 1534 B15R1.138 CCOCCOCC(=O)c1ccncc1 7a_100000210136_100015248511 [0,1,1,0,0,0|2,0,0]=4 1535 B15R1.138 CCOCCSCC(=O)c1ccccc1 62a_100000210147_100000211460 [0,1,1,0,0,0|1,1,0]=4 1536 B15R1.138 CCOCCSCC(=O)c1ccccc1 62a_100000211460_100011215890 [0,1,1,0,0,0|1,1,0]=4 1537 B15R1.138 CCOCSCCC(=O)c1ccccc1 62a_100000739092_100000750707 [0,1,1,0,0,0|2,0,0]=4 1538 B15R1.138 CCOCSCCC(=O)c1ccccc1 62a_100000750707_100000739092 [0,1,1,0,0,0|2,0,0]=4 1539 B15R1.138 CCOCSCOC(=O)c1ccccc1 62a_100000073877_100000739092 [0,1,1,0,0,0|1,0,0]=3 1540 B15R1.138 CCOCSCOC(=O)c1ccccc1 62a_100000739092_100000073877 [0,1,1,0,0,0|1,0,0]=3 1541 B15R1.138 CCSCCCOC(=O)c1ccccc1 62a_100000210202_200009892979 [0,1,1,0,0,0|0,0,0]=2 1542 B15R1.138 CCSCCCOC(=O)c1ccccc1 62a_200009892979_100000210202 [0,1,1,0,0,0|0,0,0]=2 1543 B15R1.138 CCSCCCOC(C)c1ccccc1 34a_100011216438_100000211855 [0,1,1,0,0,0|1,0,1]=4 1544 B15R1.138 CCSCCCOC(C)c1ccccc1 7a_100011216438_100000230085 [0,1,1,0,0,0|1,0,1]=4 1545 B15R1.138 CCSCCOCC(=O)c1ccccc1 7a_100000212035_100000211460 [0,1,1,0,0,0|1,0,0]=3 1546 B15R1.138 CCSCCOCC(=O)c1ccccn1 34a_100000212035_100000027445 [0,1,1,0,0,0|2,0,0]=4 1547 B15R1.138 CCSCCOCC(=O)c1ccccn1 7a_100000212035_100000027445 [0,1,1,0,0,0|2,0,0]=4 1548 B15R1.138 CCSCCOCC(=O)c1ccncc1 7a_100000212035_100015248511 [0,1,1,0,0,0|2,0,0]=4 1549 B15R1.138 CCSCCSCC(=O)c1ccccc1 62a_100000211460_100000757381 [0,1,1,0,0,0|1,1,0]=4 1550 B15R1.138 CCSCCSCC(=O)c1ccccc1 62a_100000757381_100000211460 [0,1,1,0,0,0|1,1,0]=4 1551 B15R1.138 CNCCCCOC(=O)c1ccccc1 34a_100102657272_100000039408 [0,1,1,0,0,0|0,0,0]=2 1552 B15R1.138 CNCCCCOC(=O)c1ccccc1 7a_106832991635_100000039408 [0,1,1,0,0,0|0,0,0]=2 1553 B15R1.138 CNCCCOCC(=O)c1ccccn1 34a_100000213112_100000027445 [0,1,1,0,0,0|2,0,0]=4 1554 B15R1.138 COCCCCOC(=O)c1ccccc1 34a_100138415774_100000039408 [0,1,1,0,0,0|0,0,0]=2 1555 B15R1.138 COCCCCOC(C)c1ccccc1 34a_100000740925_100000211855 [0,1,1,0,0,0|1,0,1]=4 1556 B15R1.138 COCCCCO[C@H](C)c1ccccc1 34a_100000761318_100000755781 [0,1,1,0,0,0|1,0,1]=4 1557 B15R1.138 COCCCCO[C@H](C)c1ccccc1 7a_100000761318_100000730899 [0,1,1,0,0,0|1,0,1]=4 1558 B15R1.138 COCCCNNC(=O)c1ccccc1 22a_100025702787_100000185807 [0,1,1,0,0,0|2,0,0]=4 1559 B15R1.138 COCCCOCC(=O)c1ccccn1 34a_100000740835_100000027445 [0,1,1,0,0,0|2,0,0]=4 1560 B15R1.138 COCCCSCC(=O)c1ccccc1 62a_100000211460_100000709357 [0,1,1,0,0,0|1,1,0]=4 1561 B15R1.138 COCCCSCC(=O)c1ccccc1 62a_100000709357_100000211460 [0,1,1,0,0,0|1,1,0]=4 1562 B15R1.138 COCCNCCC(=O)c1ccccc1 2230a_100000209980_100000750707 [0,1,1,0,0,0|2,0,0]=4 1563 B15R1.138 COCCOCCC(=O)c1ccccc1 1458a_100000185807_100000695917 [0,1,1,0,0,0|2,0,0]=4 1564 B15R1.138 COCCSCCC(=O)c1ccccc1 62a_100000233755_100000750707 [0,1,1,0,0,0|2,0,0]=4 1565 B15R1.138 COCCSCCC(=O)c1ccccc1 62a_100000750707_100000233755 [0,1,1,0,0,0|2,0,0]=4 1566 B15R1.138 COCCSCOC(=O)c1ccccc1 62a_100000073877_100000233755 [0,1,1,0,0,0|1,0,0]=3 1567 B15R1.138 COCCSCOC(=O)c1ccccc1 62a_100000233755_100000073877 [0,1,1,0,0,0|1,0,0]=3 1568 B15R1.138 COCNCCNC(=O)c1ccccc1 2230a_100000736134_100000766300 [0,1,1,0,0,0|2,0,0]=4 1569 B15R1.138 COCSCCCC(=O)c1ccccc1 62a_100000211006_100000766300 [0,1,1,0,0,0|2,0,0]=4 1570 B15R1.138 COCSCCCC(=O)c1ccccc1 62a_100000766300_100000211006 [0,1,1,0,0,0|2,0,0]=4 1571 B15R1.138 COCSCCNC(=O)c1ccccc1 62a_100000766300_200011215302 [0,1,1,0,0,0|2,0,0]=4 1572 B15R1.138 COCSCCNC(=O)c1ccccc1 62a_200011215302_100000766300 [0,1,1,0,0,0|2,0,0]=4 1573 B15R1.138 COCSCCOC(=O)c1ccccc1 62a_100000766300_100009812718 [0,1,1,0,0,0|1,0,0]=3 1574 B15R1.138 COCSCCOC(=O)c1ccccc1 62a_100009812718_100000766300 [0,1,1,0,0,0|1,0,0]=3 1575 B15R1.138 CSCCCCOC(=O)c1ccccc1 62a_100000039408_200000210301 [0,1,1,0,0,0|0,0,0]=2 1576 B15R1.138 CSCCCCOC(=O)c1ccccc1 62a_200000210301_100000039408 [0,1,1,0,0,0|0,0,0]=2 1577 B15R1.138 CSCCCCOC(C)c1ccccc1 34a_100011217163_100000211855 [0,1,1,0,0,0|1,0,1]=4 1578 B15R1.138 CSCCCCOC(C)c1ccccc1 7a_100011217163_100000230085 [0,1,1,0,0,0|1,0,1]=4 1579 B15R1.138 CSCCCOCC(=O)c1ccccc1 7a_100000690336_100000211460 [0,1,1,0,0,0|1,0,0]=3 1580 B15R1.138 CSCCCOCC(=O)c1ccccn1 34a_100000690336_100000027445 [0,1,1,0,0,0|2,0,0]=4 1581 B15R1.138 CSCCCOCC(=O)c1ccccn1 7a_100000690336_100000027445 [0,1,1,0,0,0|2,0,0]=4 1582 B15R1.138 CSCCCOCC(=O)c1ccncc1 7a_100000690336_100015248511 [0,1,1,0,0,0|2,0,0]=4 1583 B15R1.138 CSCCNCCC(=O)c1ccccc1 2230a_100020590264_100000750707 [0,1,1,0,0,0|2,0,0]=4 1584 B15R1.138 CSCCOCCC(=O)c1ccccc1 7a_100000230434_100000750707 [0,1,1,0,0,0|2,0,0]=4 1585 B15R1.138 CSCCOCOC(=O)c1ccccc1 7a_100000230434_100000073877 [0,1,1,0,0,0|1,0,0]=3 1586 B15R1.138 CSCCSCCC(=O)c1ccccc1 62a_100000212216_100000750707 [0,1,1,0,0,0|2,0,0]=4 1587 B15R1.138 CSCCSCCC(=O)c1ccccc1 62a_100000750707_100000751147 [0,1,1,0,0,0|2,0,0]=4 1588 B15R1.138 CSCCSCOC(=O)c1ccccc1 62a_100000073877_100000751147 [0,1,1,0,0,0|1,0,0]=3 1589 B15R1.138 CSCCSCOC(=O)c1ccccc1 62a_100000212216_100000073877 [0,1,1,0,0,0|1,0,0]=3 1590 B15R1.138 CSCNCCNC(=O)c1ccccc1 2230a_100000736134_100011218213 [0,1,1,0,0,0|2,0,0]=4 1591 B15R1.138 CSCOCCNC(=O)c1ccccc1 34a_200000158897_100011218213 [0,1,1,0,0,0|2,0,0]=4 1592 B15R1.138 CSCSCCCC(=O)c1ccccc1 62a_100000211006_100011218213 [0,1,1,0,0,0|2,0,0]=4 1593 B15R1.138 CSCSCCCC(=O)c1ccccc1 62a_100011218213_100000211006 [0,1,1,0,0,0|2,0,0]=4 1594 B15R1.138 CSCSCCNC(=O)c1ccccc1 62a_100011218213_200011215302 [0,1,1,0,0,0|2,0,0]=4 1595 B15R1.138 CSCSCCNC(=O)c1ccccc1 62a_200011215302_100011218213 [0,1,1,0,0,0|2,0,0]=4 1596 B15R1.138 CSCSCCOC(=O)c1ccccc1 62a_100009812718_100011218213 [0,1,1,0,0,0|1,0,0]=3 1597 B15R1.138 CSCSCCOC(=O)c1ccccc1 62a_100011218213_100009812718 [0,1,1,0,0,0|1,0,0]=3 1598 B15R1.138 C[C@@H](OCCCCCF)c1ccccc1 34a_100000761318_100000729378 [0,1,1,0,0,0|1,0,1]=4 1599 B15R1.138 C[C@@H](OCCCCCF)c1ccccc1 7a_100000761318_100000729378 [0,1,1,0,0,0|1,0,1]=4 1600 B15R1.138 C[C@@H](OCCCCCO)c1ccccc1 34a_100000761318_100000746330 [0,1,1,0,0,0|1,0,1]=4 1601 B15R1.138 C[C@@H](OCCCCCO)c1ccccc1 7a_100000761318_100000746330 [0,1,1,0,0,0|1,0,1]=4 1602 B15R1.138 N#CCCCCCC(=O)c1ccccc1 1458a_100000185807_100009813376 [0,1,1,0,0,0|1,0,1]=4 1603 B15R1.138 N#CCCCCNC(=O)c1ccccc1 11a_100000751965_100000185807 [0,1,1,0,0,0|1,0,1]=4 1604 B15R1.138 N#CCCCCNC(=O)c1ccccc1 1626a_100000751965_100000185807 [0,1,1,0,0,0|1,0,1]=4 1605 B15R1.138 N#CCCCCNC(=O)c1ccccc1 240690a_100000751965_100000185807 [0,1,1,0,0,0|1,0,1]=4 1606 B15R1.138 N#CCCCCNC(=O)c1ccccc1 527a_100000751965_100000185807 [0,1,1,0,0,0|1,0,1]=4 1607 B15R1.138 N#CCCSCOC(=O)c1ccccc1 62a_100000073877_100011215226 [0,1,1,0,0,0|1,0,1]=4 1608 B15R1.138 N#CCCSCOC(=O)c1ccccc1 62a_100011215226_100000073877 [0,1,1,0,0,0|1,0,1]=4 1609 B15R1.138 N#CCOCCOC(=O)c1ccccc1 7a_100000025465_100011215382 [0,1,1,0,0,0|1,0,1]=4 1610 B15R1.138 N#CCSCCOC(=O)c1ccccc1 62a_100009812718_100011215382 [0,1,1,0,0,0|1,0,1]=4 1611 B15R1.138 N#CCSCCOC(=O)c1ccccc1 62a_100011215382_100009812718 [0,1,1,0,0,0|1,0,1]=4 1612 B15R1.138 NCCCCOCC(=O)c1ccccn1 34a_100000750430_100000027445 [0,1,1,0,0,0|2,0,0]=4 1613 B15R1.138 NCCOCCOC(=O)c1ccccc1 34a_100000210304_100009812718 [0,1,1,0,0,0|1,0,0]=3 1614 B15R1.138 O=C(CCCCCCF)c1ccccc1 1458a_100000185807_100015922095 [0,1,1,0,0,0|1,0,0]=3 1615 B15R1.138 O=C(CCCCCCO)c1ccccc1 1458a_100000185807_100000766143 [0,1,1,0,0,0|1,0,0]=3 1616 B15R1.138 O=C(CCCNCCO)c1ccccc1 2230a_100016997473_100000211006 [0,1,1,0,0,0|2,0,0]=4 1617 B15R1.138 O=C(CCCSCCF)c1ccccc1 62a_100000211006_100011217306 [0,1,1,0,0,0|2,0,0]=4 1618 B15R1.138 O=C(CCCSCCF)c1ccccc1 62a_100011217306_100000211006 [0,1,1,0,0,0|2,0,0]=4 1619 B15R1.138 O=C(CCCSCCO)c1ccccc1 62a_100000211006_100000211926 [0,1,1,0,0,0|2,0,0]=4 1620 B15R1.138 O=C(CCCSCCO)c1ccccc1 62a_100000211926_100000211006 [0,1,1,0,0,0|2,0,0]=4 1621 B15R1.138 O=C(CCNCCCF)c1ccccc1 2230a_100015189416_100000750707 [0,1,1,0,0,0|2,0,0]=4 1622 B15R1.138 O=C(CCSCCCF)c1ccccc1 62a_100000750707_100011934791 [0,1,1,0,0,0|2,0,0]=4 1623 B15R1.138 O=C(CCSCCCF)c1ccccc1 62a_100011934791_100000750707 [0,1,1,0,0,0|2,0,0]=4 1624 B15R1.138 O=C(CCSCCCO)c1ccccc1 62a_100000750707_100011215043 [0,1,1,0,0,0|2,0,0]=4 1625 B15R1.138 O=C(CCSCCCO)c1ccccc1 62a_100011215043_100000750707 [0,1,1,0,0,0|2,0,0]=4 1626 B15R1.138 O=C(COCCCCBr)c1ccccn1 34a_100011216708_100000027445 [0,1,1,0,0,0|2,0,0]=4 1627 B15R1.138 O=C(COCCCCCl)c1ccccc1 7a_100000210776_100000211460 [0,1,1,0,0,0|1,0,0]=3 1628 B15R1.138 O=C(COCCCCCl)c1ccccn1 34a_100000210776_100000027445 [0,1,1,0,0,0|2,0,0]=4 1629 B15R1.138 O=C(COCCCCCl)c1ccccn1 7a_100000210776_100000027445 [0,1,1,0,0,0|2,0,0]=4 1630 B15R1.138 O=C(COCCCCCl)c1ccncc1 7a_100000210776_100015248511 [0,1,1,0,0,0|2,0,0]=4 1631 B15R1.138 O=C(COCCCCF)c1ccccc1 7a_100011995726_100000211460 [0,1,1,0,0,0|1,0,0]=3 1632 B15R1.138 O=C(COCCCCF)c1ccccn1 34a_100011995726_100000027445 [0,1,1,0,0,0|2,0,0]=4 1633 B15R1.138 O=C(COCCCCF)c1ccccn1 7a_100011995726_100000027445 [0,1,1,0,0,0|2,0,0]=4 1634 B15R1.138 O=C(COCCCCF)c1ccncc1 7a_100011995726_100015248511 [0,1,1,0,0,0|2,0,0]=4 1635 B15R1.138 O=C(COCCCCI)c1ccccn1 34a_200012148704_100000027445 [0,1,1,0,0,0|2,0,0]=4 1636 B15R1.138 O=C(CSCCCCF)c1ccccc1 62a_100000211460_100000729493 [0,1,1,0,0,0|1,1,0]=4 1637 B15R1.138 O=C(CSCCCCF)c1ccccc1 62a_100000729493_100000211460 [0,1,1,0,0,0|1,1,0]=4 1638 B15R1.138 O=C(CSCCCCO)c1ccccc1 62a_100000210776_100000211460 [0,1,1,0,0,0|1,1,0]=4 1639 B15R1.138 O=C(CSCCCCO)c1ccccc1 62a_100000211460_100000210776 [0,1,1,0,0,0|1,1,0]=4 1640 B15R1.138 O=C(NCCCCCO)c1ccccc1 240690a_100000762737_100000185807 [0,1,1,0,0,0|1,0,0]=3 1641 B15R1.138 O=C(NCCNCCF)c1ccccc1 2230a_100000736134_100011217306 [0,1,1,0,0,0|2,0,0]=4 1642 B15R1.138 O=C(NCCNCCO)c1ccccc1 2230a_100000736134_100000211926 [0,1,1,0,0,0|2,0,0]=4 1643 B15R1.138 O=C(NCCOCCF)c1ccccc1 34a_200000158897_100011217306 [0,1,1,0,0,0|2,0,0]=4 1644 B15R1.138 O=C(NCCOCCF)c1ccccc1 7a_200000158897_100011217306 [0,1,1,0,0,0|2,0,0]=4 1645 B15R1.138 O=C(NCCOCCO)c1ccccc1 240690a_100000211614_100000185807 [0,1,1,0,0,0|2,0,0]=4 1646 B15R1.138 O=C(NCCOCCO)c1ccccc1 34a_200000158897_100000211926 [0,1,1,0,0,0|2,0,0]=4 1647 B15R1.138 O=C(NCCOCCO)c1ccccc1 7a_200000158897_100000211926 [0,1,1,0,0,0|2,0,0]=4 1648 B15R1.138 O=C(NCCSCCF)c1ccccc1 62a_100011217306_200011215302 [0,1,1,0,0,0|2,0,0]=4 1649 B15R1.138 O=C(NCCSCCF)c1ccccc1 62a_200011215302_100011217306 [0,1,1,0,0,0|2,0,0]=4 1650 B15R1.138 O=C(NCCSCCO)c1ccccc1 240690a_100011219999_100000185807 [0,1,1,0,0,0|2,0,0]=4 1651 B15R1.138 O=C(NCCSCCO)c1ccccc1 527a_100011219999_100000185807 [0,1,1,0,0,0|2,0,0]=4 1652 B15R1.138 O=C(NCCSCCO)c1ccccc1 62a_100000211926_200011215302 [0,1,1,0,0,0|2,0,0]=4 1653 B15R1.138 O=C(NCCSCCO)c1ccccc1 62a_200011215302_100000211926 [0,1,1,0,0,0|2,0,0]=4 1654 B15R1.138 O=C(OCCCSCF)c1ccccc1 62a_100015361967_200009892979 [0,1,1,0,0,0|1,0,0]=3 1655 B15R1.138 O=C(OCCCSCF)c1ccccc1 62a_200009892979_100015361967 [0,1,1,0,0,0|1,0,0]=3 1656 B15R1.138 O=C(OCCNCCF)c1ccccc1 34a_100000724931_100009812718 [0,1,1,0,0,0|1,0,0]=3 1657 B15R1.138 O=C(OCCNCCO)c1ccccc1 34a_100016990907_100009812718 [0,1,1,0,0,0|1,0,0]=3 1658 B15R1.138 O=C(OCCOCCBr)c1ccccc1 34a_100000211926_100009812718 [0,1,1,0,0,0|1,0,0]=3 1659 B15R1.138 O=C(OCCOCCF)c1ccccc1 7a_100000025465_100011217306 [0,1,1,0,0,0|1,0,0]=3 1660 B15R1.138 O=C(OCCOCCO)c1ccccc1 7a_100000025465_100000211926 [0,1,1,0,0,0|1,0,0]=3 1661 B15R1.138 O=C(OCCSCCF)c1ccccc1 62a_100009812718_100011217306 [0,1,1,0,0,0|1,0,0]=3 1662 B15R1.138 O=C(OCCSCCF)c1ccccc1 62a_100011217306_100009812718 [0,1,1,0,0,0|1,0,0]=3 1663 B15R1.138 O=C(OCCSCCO)c1ccccc1 62a_100000211926_100009812718 [0,1,1,0,0,0|1,0,0]=3 1664 B15R1.138 O=C(OCCSCCO)c1ccccc1 62a_100009812718_100000211926 [0,1,1,0,0,0|1,0,0]=3 1665 B15R1.138 O=C(OCSCCCF)c1ccccc1 62a_100000073877_100011934791 [0,1,1,0,0,0|1,0,0]=3 1666 B15R1.138 O=C(OCSCCCF)c1ccccc1 62a_100011934791_100000073877 [0,1,1,0,0,0|1,0,0]=3 1667 B15R1.138 O=C(OCSCCCO)c1ccccc1 62a_100000073877_100011215043 [0,1,1,0,0,0|1,0,0]=3 1668 B15R1.138 O=C(OCSCCCO)c1ccccc1 62a_100011215043_100000073877 [0,1,1,0,0,0|1,0,0]=3 1669 B15R1.138 O=CCOCCOC(=O)c1ccccc1 7a_100000025465_200015260668 [0,1,1,0,0,0|1,0,1]=4 1670 B15R1.138 O=CCSCCOC(=O)c1ccccc1 62a_100009812718_200015260668 [0,1,1,0,0,0|1,0,1]=4 1671 B15R1.138 O=CCSCCOC(=O)c1ccccc1 62a_200015260668_100009812718 [0,1,1,0,0,0|1,0,1]=4 1672 B15R1.138 [13CH3]SCCCCOC(=O)c1ccccc1 62a_100000039408_200025704644 [0,1,1,0,0,0|0,0,0]=2 1673 B15R1.138 [13CH3]SCCCCOC(=O)c1ccccc1 62a_200025704644_100000039408 [0,1,1,0,0,0|0,0,0]=2 1674 B15R1.497 C=C(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000211660 [0,1,1,0,0,0|1,0,1]=4 1675 B15R1.497 C=C(C)CSCOC(=O)c1ccccc1 62a_100000748629_100000073877 [0,1,1,0,0,0|1,0,1]=4 1676 B15R1.497 CC(=O)CCCCC(=O)c1ccccc1 1458a_100000185807_100000735457 [0,1,1,0,0,0|1,0,1]=4 1677 B15R1.497 CC(=O)CCCNC(=O)c1ccccc1 1458a_100000194758_200000210301 [0,1,1,0,0,0|1,0,1]=4 1678 B15R1.497 CC(=O)CCCOC(=O)c1ccccc1 1458a_100000070787_200009892979 [0,1,1,0,0,0|0,0,1]=3 1679 B15R1.497 CC(C)CCCCC(=O)c1ccccc1 1458a_100000185807_100011216152 [0,1,1,0,0,0|1,0,0]=3 1680 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 11a_200000737386_100000185807 [0,1,1,0,0,0|1,0,0]=3 1681 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 1626a_200000737386_100000185807 [0,1,1,0,0,0|1,0,0]=3 1682 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 240690a_200000737386_100000185807 [0,1,1,0,0,0|1,0,0]=3 1683 B15R1.497 CC(C)CCCNC(=O)c1ccccc1 527a_200000737386_100000185807 [0,1,1,0,0,0|1,0,0]=3 1684 B15R1.497 CC(C)CCCOC(C)c1ccccc1 34a_100000210774_100000211855 [0,1,1,0,0,0|1,0,1]=4 1685 B15R1.497 CC(C)CCCOC(C)c1ccccc1 7a_100000210774_100000230085 [0,1,1,0,0,0|1,0,1]=4 1686 B15R1.497 CC(C)CCCO[C@H](C)c1ccccc1 34a_100000761318_100011214892 [0,1,1,0,0,0|1,0,1]=4 1687 B15R1.497 CC(C)CCCO[C@H](C)c1ccccc1 7a_100000761318_100011214892 [0,1,1,0,0,0|1,0,1]=4 1688 B15R1.497 CC(C)CCOCC(=O)c1ccccc1 7a_100000210254_100000211460 [0,1,1,0,0,0|2,0,0]=4 1689 B15R1.497 CC(C)CCSCC(=O)c1ccccc1 62a_100000210312_100000211460 [0,1,1,0,0,0|2,0,0]=4 1690 B15R1.497 CC(C)CCSCC(=O)c1ccccc1 62a_100000211460_100000210312 [0,1,1,0,0,0|2,0,0]=4 1691 B15R1.497 CC(C)CNCCC(=O)c1ccccc1 2230a_100000210953_100000750707 [0,1,1,0,0,0|2,0,0]=4 1692 B15R1.497 CC(C)CSCCC(=O)c1ccccc1 62a_100000210624_100000750707 [0,1,1,0,0,0|2,0,0]=4 1693 B15R1.497 CC(C)CSCCC(=O)c1ccccc1 62a_100000750707_100000210760 [0,1,1,0,0,0|2,0,0]=4 1694 B15R1.497 CC(C)CSCOC(=O)c1ccccc1 62a_100000073877_100000210760 [0,1,1,0,0,0|1,0,0]=3 1695 B15R1.497 CC(C)CSCOC(=O)c1ccccc1 62a_100000210624_100000073877 [0,1,1,0,0,0|1,0,0]=3 1696 B15R1.497 CC(C)NCCCC(=O)c1ccccc1 2230a_100138425928_100000211006 [0,1,1,0,0,0|2,0,0]=4 1697 B15R1.497 CC(C)NCCNC(=O)c1ccccc1 2230a_100000736134_100000210206 [0,1,1,0,0,0|2,0,0]=4 1698 B15R1.497 CC(C)NCCOC(=O)c1ccccc1 34a_100138425928_100009812718 [0,1,1,0,0,0|1,0,0]=3 1699 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 11a_100000701111_100000185807 [0,1,1,0,0,0|2,0,0]=4 1700 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 1626a_100000701111_100000185807 [0,1,1,0,0,0|2,0,0]=4 1701 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 240690a_100000701111_100000185807 [0,1,1,0,0,0|2,0,0]=4 1702 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 34a_200000158897_100000210206 [0,1,1,0,0,0|2,0,0]=4 1703 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 527a_100000701111_100000185807 [0,1,1,0,0,0|2,0,0]=4 1704 B15R1.497 CC(C)OCCNC(=O)c1ccccc1 7a_200000158897_100000210206 [0,1,1,0,0,0|2,0,0]=4 1705 B15R1.497 CC(C)OCCOC(=O)c1ccccc1 34a_100000212225_100009812718 [0,1,1,0,0,0|1,0,0]=3 1706 B15R1.497 CC(C)OCCOC(=O)c1ccccc1 7a_100000025465_100000210206 [0,1,1,0,0,0|1,0,0]=3 1707 B15R1.497 CC(C)SCCCC(=O)c1ccccc1 62a_100000210206_100000211006 [0,1,1,0,0,0|2,0,0]=4 1708 B15R1.497 CC(C)SCCCC(=O)c1ccccc1 62a_100000211006_100000210206 [0,1,1,0,0,0|2,0,0]=4 1709 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 11a_100000731138_100000185807 [0,1,1,0,0,0|2,0,0]=4 1710 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 1626a_100000731138_100000185807 [0,1,1,0,0,0|2,0,0]=4 1711 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 240690a_100000731138_100000185807 [0,1,1,0,0,0|2,0,0]=4 1712 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 527a_100000731138_100000185807 [0,1,1,0,0,0|2,0,0]=4 1713 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 62a_100000210206_200011215302 [0,1,1,0,0,0|2,0,0]=4 1714 B15R1.497 CC(C)SCCNC(=O)c1ccccc1 62a_200011215302_100000210206 [0,1,1,0,0,0|2,0,0]=4 1715 B15R1.497 CC(C)SCCOC(=O)c1ccccc1 62a_100000210206_100009812718 [0,1,1,0,0,0|1,0,0]=3 1716 B15R1.497 CC(C)SCCOC(=O)c1ccccc1 62a_100009812718_100000210206 [0,1,1,0,0,0|1,0,0]=3 1717 B15R1.497 CC(O)CCCO[C@H](C)c1ccccc1 34a_100000761318_200000718107 [0,1,1,0,0,0|1,0,1]=4 1718 B15R1.497 CC(O)CCCO[C@H](C)c1ccccc1 7a_100000761318_200000718107 [0,1,1,0,0,0|1,0,1]=4 1719 B15R1.497 CC(O)CCSCC(=O)c1ccccc1 62a_100000211460_100012276601 [0,1,1,0,0,0|2,0,0]=4 1720 B15R1.497 CC(O)CCSCC(=O)c1ccccc1 62a_100012276601_100000211460 [0,1,1,0,0,0|2,0,0]=4 1721 B15R1.497 CC(O)CNCCC(=O)c1ccccc1 2230a_100000210904_100000750707 [0,1,1,0,0,0|2,0,0]=4 1722 B15R1.497 CC(O)CSCCC(=O)c1ccccc1 62a_100000750707_100011218427 [0,1,1,0,0,0|2,0,0]=4 1723 B15R1.497 CC(O)CSCCC(=O)c1ccccc1 62a_100011218427_100000750707 [0,1,1,0,0,0|2,0,0]=4 1724 B15R1.497 CC(O)CSCOC(=O)c1ccccc1 62a_100000073877_100011218427 [0,1,1,0,0,0|1,0,0]=3 1725 B15R1.497 CC(O)CSCOC(=O)c1ccccc1 62a_100011218427_100000073877 [0,1,1,0,0,0|1,0,0]=3 1726 B15R1.497 CN(C)CCCNC(=O)c1ccccc1 240690a_102531767803_100000185807 [0,1,1,0,0,0|2,0,0]=4 1727 B15R1.497 CN(C)CCCNC(=O)c1ccccc1 527a_102531767803_100000185807 [0,1,1,0,0,0|2,0,0]=4 1728 B15R1.497 CN(C)CCCOC(=O)c1ccccc1 269982a_100102631434_200009892979 [0,1,1,0,0,0|1,0,0]=3 1729 B15R1.497 CS(=O)CCCNC(=O)c1ccccc1 11a_200000753449_100000185807 [0,1,1,0,0,0|2,0,0]=4 1730 B15R1.497 CS(=O)CCCNC(=O)c1ccccc1 240690a_200000753449_100000185807 [0,1,1,0,0,0|2,0,0]=4 1731 B15R1.497 CS(=O)CCCNC(=O)c1ccccc1 527a_200000753449_100000185807 [0,1,1,0,0,0|2,0,0]=4 1732 B15R1.497 C[C@@H](O)CSCCC(=O)c1ccccc1 62a_100000750707_100009817552 [0,1,1,0,0,0|2,0,0]=4 1733 B15R1.497 C[C@@H](O)CSCCC(=O)c1ccccc1 62a_100009817552_100000750707 [0,1,1,0,0,0|2,0,0]=4 1734 B15R1.497 C[C@@H](O)CSCOC(=O)c1ccccc1 62a_100000073877_100009817552 [0,1,1,0,0,0|1,0,0]=3 1735 B15R1.497 C[C@@H](O)CSCOC(=O)c1ccccc1 62a_100009817552_100000073877 [0,1,1,0,0,0|1,0,0]=3 1736 B15R1.497 O=C(OCSCC(F)F)c1ccccc1 62a_100000073877_100011934356 [0,1,1,0,0,0|2,0,0]=4 1737 B15R1.497 O=C(OCSCC(F)F)c1ccccc1 62a_100011934356_100000073877 [0,1,1,0,0,0|2,0,0]=4 1738 B15R1.497 [13CH3]C(=O)CCCNC(=O)c1ccccc1 1458a_100000194758_200025704644 [0,1,1,0,0,0|1,0,1]=4 1739 B15R1.536 CCCCCNS(=O)(=O)c1ccccc1 270084a_100000209983_100000210345 [0,1,1,0,0,0|2,0,0]=4 1740 B15R1.536 CCCCCNS(=O)(=O)c1ccccc1 274078a_100000209983_100000210345 [0,1,1,0,0,0|2,0,0]=4 1741 B15R1.536 CCCCCNS(=O)(=O)c1ccccc1 40a_100000209983_100000032697 [0,1,1,0,0,0|2,0,0]=4 1742 B15R1.536 CCCCCOC(C)(C)c1ccccc1 7a_100000694644_100000210326 [0,1,1,0,0,0|1,0,1]=4 1743 B15R1.536 CCCCCOC(F)(F)c1ccccc1 7a_100000210253_100000036403 [0,1,1,0,0,0|1,0,1]=4 1744 B15R1.536 CCOCCOS(=O)(=O)c1ccccc1 34a_100121572206_200000070464 [0,1,1,0,0,0|2,0,0]=4 1745 B15R1.536 CCSCCOS(=O)(=O)c1ccccc1 62a_100000210202_200000070464 [0,1,1,0,0,0|2,0,0]=4 1746 B15R1.959 CC(CF)OCOC(=O)c1ccccc1 7a_100016041109_100000073877 [0,1,1,0,0,0|2,0,0]=4 1747 B15R1.959 CC(CO)CCNC(=O)c1ccccc1 240690a_106354213184_100000185807 [0,1,1,0,0,0|2,0,0]=4 1748 B15R1.959 CC(CO)CCNC(=O)c1ccccc1 527a_106354213184_100000185807 [0,1,1,0,0,0|2,0,0]=4 1749 B15R1.959 CC(CO)SCOC(=O)c1ccccc1 62a_100012180447_100000073877 [0,1,1,0,0,0|2,0,0]=4 1750 B15R1.959 CCC(=O)CCCC(=O)c1ccccc1 1458a_100000210414_100000211006 [0,1,1,0,0,0|1,0,1]=4 1751 B15R1.959 CCC(=O)CCNC(=O)c1ccccc1 1458a_100000182757_100000210202 [0,1,1,0,0,0|1,0,1]=4 1752 B15R1.959 CCC(=O)CCNC(=O)c1ccccc1 1458a_100000210414_200011215302 [0,1,1,0,0,0|1,0,1]=4 1753 B15R1.959 CCC(=O)CCOC(=O)c1ccccc1 1458a_100000210414_100000184176 [0,1,1,0,0,0|0,0,1]=3 1754 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 11a_100020591266_100000185807 [0,1,1,0,0,0|1,0,0]=3 1755 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 1626a_100020591266_100000185807 [0,1,1,0,0,0|1,0,0]=3 1756 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 240690a_100020591266_100000185807 [0,1,1,0,0,0|1,0,0]=3 1757 B15R1.959 CCC(C)CCNC(=O)c1ccccc1 527a_100020591266_100000185807 [0,1,1,0,0,0|1,0,0]=3 1758 B15R1.959 CCC(C)CCOC(C)c1ccccc1 7a_100011215188_100000230085 [0,1,1,0,0,0|1,0,1]=4 1759 B15R1.959 CCC(C)CSCC(=O)c1ccccc1 62a_100000211460_100000748023 [0,1,1,0,0,0|2,0,0]=4 1760 B15R1.959 CCC(C)CSCC(=O)c1ccccc1 62a_100000748023_100000211460 [0,1,1,0,0,0|2,0,0]=4 1761 B15R1.959 CCC(C)NCCC(=O)c1ccccc1 2230a_100000209981_100000750707 [0,1,1,0,0,0|2,0,0]=4 1762 B15R1.959 CCC(C)OCCC(=O)c1ccccc1 7a_100000210228_100000750707 [0,1,1,0,0,0|2,0,0]=4 1763 B15R1.959 CCC(C)OCOC(=O)c1ccccc1 7a_100000210228_100000073877 [0,1,1,0,0,0|1,0,0]=3 1764 B15R1.959 CCC(C)SCCC(=O)c1ccccc1 62a_100000750707_100000758301 [0,1,1,0,0,0|2,0,0]=4 1765 B15R1.959 CCC(C)SCCC(=O)c1ccccc1 62a_100000758301_100000750707 [0,1,1,0,0,0|2,0,0]=4 1766 B15R1.959 CCC(C)SCOC(=O)c1ccccc1 62a_100000073877_100000758301 [0,1,1,0,0,0|1,0,0]=3 1767 B15R1.959 CCC(C)SCOC(=O)c1ccccc1 62a_100000758301_100000073877 [0,1,1,0,0,0|1,0,0]=3 1768 B15R1.959 CCC(O)CNNC(=O)c1ccccc1 22a_100015206393_100000185807 [0,1,1,0,0,0|2,0,0]=4 1769 B15R1.959 CCC(O)CSCC(=O)c1ccccc1 62a_100000211460_100011218378 [0,1,1,0,0,0|2,0,0]=4 1770 B15R1.959 CCC(O)CSCC(=O)c1ccccc1 62a_100011218378_100000211460 [0,1,1,0,0,0|2,0,0]=4 1771 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 1458a_100000185807_100015186262 [0,1,1,0,0,0|2,0,0]=4 1772 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 2230a_100000225621_100000211006 [0,1,1,0,0,0|2,0,0]=4 1773 B15R1.959 CCN(C)CCCC(=O)c1ccccc1 269982a_100000225621_100000211006 [0,1,1,0,0,0|2,0,0]=4 1774 B15R1.959 CCN(C)CCNC(=O)c1ccccc1 269982a_100000225621_200011215302 [0,1,1,0,0,0|2,0,0]=4 1775 B15R1.959 CCN(C)CCOC(=O)c1ccccc1 269982a_100000225621_100009812718 [0,1,1,0,0,0|1,0,0]=3 1776 B15R1.959 CC[C@H](C)COCC(=O)c1ccccc1 7a_100009816381_100000211460 [0,1,1,0,0,0|2,0,0]=4 1777 B15R1.959 CC[C@H](C)CSCC(=O)c1ccccc1 62a_100000211460_100009816398 [0,1,1,0,0,0|2,0,0]=4 1778 B15R1.959 CC[C@H](C)CSCC(=O)c1ccccc1 62a_100009816398_100000211460 [0,1,1,0,0,0|2,0,0]=4 1779 B15R1.959 COC(C)SCOC(=O)c1ccccc1 62a_100000073877_100009879195 [0,1,1,0,0,0|2,0,0]=4 1780 B15R1.959 COC(C)SCOC(=O)c1ccccc1 62a_100009879195_100000073877 [0,1,1,0,0,0|2,0,0]=4 1781 B15R1.959 C[C@H](CO)SCOC(=O)c1ccccc1 62a_100000073877_100016084084 [0,1,1,0,0,0|2,0,0]=4 1782 B15R1.959 C[C@H](CO)SCOC(=O)c1ccccc1 62a_100016084084_100000073877 [0,1,1,0,0,0|2,0,0]=4 1783 B15R1.959 O=C(CO)CCOC(=O)c1ccccc1 1458a_100000210174_100000184176 [0,1,1,0,0,0|1,0,1]=4 1784 B15R1.3965 CCCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000210757 [0,1,1,0,0,0|1,0,0]=3 1785 B15R1.3965 CCCCCCC(=O)c1ccccc1C 1458a_100000212026_100000210757 [0,1,1,0,0,0|1,0,0]=3 1786 B15R1.3965 CCCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000210757 [0,1,1,0,0,0|1,0,0]=3 1787 B15R1.3965 CCCCCCC(=O)c1ccccc1F 1458a_100000188656_100000210757 [0,1,1,0,0,0|1,0,0]=3 1788 B15R1.3965 CCCCCCC(=O)c1ccccc1I 1458a_100000187884_100000210757 [0,1,1,0,0,0|1,0,0]=3 1789 B15R1.3965 CCCCCCC(=O)c1ccccc1O 1458a_100015234032_100000210757 [0,1,1,0,0,0|1,0,0]=3 1790 B15R1.3965 CCCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000210757 [0,1,1,0,0,0|1,0,0]=3 1791 B15R1.3965 CCCCCNC(=O)c1ccccc1Br 11a_100000209983_100000188424 [0,1,1,0,0,0|1,0,0]=3 1792 B15R1.3965 CCCCCNC(=O)c1ccccc1Br 1626a_100000209983_100000188424 [0,1,1,0,0,0|1,0,0]=3 1793 B15R1.3965 CCCCCNC(=O)c1ccccc1Br 240690a_100000209983_100000188424 [0,1,1,0,0,0|1,0,0]=3 1794 B15R1.3965 CCCCCNC(=O)c1ccccc1Br 527a_100000209983_100000188424 [0,1,1,0,0,0|1,0,0]=3 1795 B15R1.3965 CCCCCNC(=O)c1ccccc1C 11a_100000209983_100000212026 [0,1,1,0,0,0|1,0,0]=3 1796 B15R1.3965 CCCCCNC(=O)c1ccccc1C 1626a_100000209983_100000212026 [0,1,1,0,0,0|1,0,0]=3 1797 B15R1.3965 CCCCCNC(=O)c1ccccc1C 240690a_100000209983_100000212026 [0,1,1,0,0,0|1,0,0]=3 1798 B15R1.3965 CCCCCNC(=O)c1ccccc1C 527a_100000209983_100000212026 [0,1,1,0,0,0|1,0,0]=3 1799 B15R1.3965 CCCCCNC(=O)c1ccccc1Cl 11a_100000209983_100000185844 [0,1,1,0,0,0|1,0,0]=3 1800 B15R1.3965 CCCCCNC(=O)c1ccccc1Cl 1626a_100000209983_100000185844 [0,1,1,0,0,0|1,0,0]=3 1801 B15R1.3965 CCCCCNC(=O)c1ccccc1Cl 240690a_100000209983_100000185844 [0,1,1,0,0,0|1,0,0]=3 1802 B15R1.3965 CCCCCNC(=O)c1ccccc1Cl 527a_100000209983_100000185844 [0,1,1,0,0,0|1,0,0]=3 1803 B15R1.3965 CCCCCNC(=O)c1ccccc1F 11a_100000209983_100000188656 [0,1,1,0,0,0|1,0,0]=3 1804 B15R1.3965 CCCCCNC(=O)c1ccccc1F 1626a_100000209983_100000188656 [0,1,1,0,0,0|1,0,0]=3 1805 B15R1.3965 CCCCCNC(=O)c1ccccc1F 240690a_100000209983_100000188656 [0,1,1,0,0,0|1,0,0]=3 1806 B15R1.3965 CCCCCNC(=O)c1ccccc1F 527a_100000209983_100000188656 [0,1,1,0,0,0|1,0,0]=3 1807 B15R1.3965 CCCCCNC(=O)c1ccccc1I 11a_100000209983_100000187884 [0,1,1,0,0,0|1,0,0]=3 1808 B15R1.3965 CCCCCNC(=O)c1ccccc1I 1626a_100000209983_100000187884 [0,1,1,0,0,0|1,0,0]=3 1809 B15R1.3965 CCCCCNC(=O)c1ccccc1I 240690a_100000209983_100000187884 [0,1,1,0,0,0|1,0,0]=3 1810 B15R1.3965 CCCCCNC(=O)c1ccccc1I 527a_100000209983_100000187884 [0,1,1,0,0,0|1,0,0]=3 1811 B15R1.3965 CCCCCNC(=O)c1ccccc1O 240690a_100000209983_100015234032 [0,1,1,0,0,0|1,0,0]=3 1812 B15R1.3965 CCCCCNC(=O)c1ccccc1O 271570a_203496583355_200000152840 [0,1,1,0,0,0|1,0,0]=3 1813 B15R1.3965 CCCCCNC(=O)c1ccccc1[O-] 1626a_100000209983_100009911694 [0,1,1,0,0,0|1,0,0]=3 1814 B15R1.3965 CCCCCNC(=O)c1ccccc1[O-] 240690a_100000209983_100009911694 [0,1,1,0,0,0|1,0,0]=3 1815 B15R1.3965 CCCCCNC(=O)c1ccccc1[O-] 527a_100000209983_100009911694 [0,1,1,0,0,0|1,0,0]=3 1816 B15R1.3965 CCCCCOC(C)c1ccccc1Br 34a_100000702211_100000718602 [0,1,1,0,0,0|1,0,1]=4 1817 B15R1.3965 CCCCCOC(C)c1ccccc1Br 7a_100000702211_100000210326 [0,1,1,0,0,0|1,0,1]=4 1818 B15R1.3965 CCCCCOC(C)c1ccccc1C 34a_100000742021_100000718602 [0,1,1,0,0,0|1,0,1]=4 1819 B15R1.3965 CCCCCOC(C)c1ccccc1C 7a_100000742021_100000210326 [0,1,1,0,0,0|1,0,1]=4 1820 B15R1.3965 CCCCCOC(C)c1ccccc1Cl 34a_100000740796_100000718602 [0,1,1,0,0,0|1,0,1]=4 1821 B15R1.3965 CCCCCOC(C)c1ccccc1Cl 7a_100000210253_100000181259 [0,1,1,0,0,0|1,0,1]=4 1822 B15R1.3965 CCCCCOC(C)c1ccccc1Cl 7a_100000740796_100000210326 [0,1,1,0,0,0|1,0,1]=4 1823 B15R1.3965 CCCCCOC(C)c1ccccc1F 34a_100000210253_200000741388 [0,1,1,0,0,0|1,0,1]=4 1824 B15R1.3965 CCCCCOC(C)c1ccccc1F 34a_100000697922_100000718602 [0,1,1,0,0,0|1,0,1]=4 1825 B15R1.3965 CCCCCOC(C)c1ccccc1F 7a_100000210253_200000741388 [0,1,1,0,0,0|1,0,1]=4 1826 B15R1.3965 CCCCCOC(C)c1ccccc1F 7a_100000697922_100000210326 [0,1,1,0,0,0|1,0,1]=4 1827 B15R1.3965 CCCCCOC(C)c1ccccc1N 7a_100011405641_100000210326 [0,1,1,0,0,0|1,0,1]=4 1828 B15R1.3965 CCCCNCC(=O)c1ccccc1C 2230a_100000102301_100000741374 [0,1,1,0,0,0|2,0,0]=4 1829 B15R1.3965 CCCCNCC(=O)c1ccccc1C 7a_106832991798_100000741374 [0,1,1,0,0,0|2,0,0]=4 1830 B15R1.3965 CCCCNCC(=O)c1ccccc1F 7a_106832991798_100000204681 [0,1,1,0,0,0|2,0,0]=4 1831 B15R1.3965 CCCCNCC(=O)c1ccccc1O 7a_106832991798_100000188908 [0,1,1,0,0,0|2,0,0]=4 1832 B15R1.3965 CCCCNNC(=O)c1ccccc1Br 22a_100025702795_100000188424 [0,1,1,0,0,0|2,0,0]=4 1833 B15R1.3965 CCCCNNC(=O)c1ccccc1C 22a_100025702795_100000212026 [0,1,1,0,0,0|2,0,0]=4 1834 B15R1.3965 CCCCNNC(=O)c1ccccc1Cl 22a_100025702795_100000185844 [0,1,1,0,0,0|2,0,0]=4 1835 B15R1.3965 CCCCNNC(=O)c1ccccc1F 22a_100025702795_100000188656 [0,1,1,0,0,0|2,0,0]=4 1836 B15R1.3965 CCCCNNC(=O)c1ccccc1I 22a_100025702795_100000187884 [0,1,1,0,0,0|2,0,0]=4 1837 B15R1.3965 CCCCNNC(=O)c1ccccc1O 22a_100025702795_100015234032 [0,1,1,0,0,0|2,0,0]=4 1838 B15R1.3965 CCCCNNC(=O)c1ccccc1[O-] 22a_100025702795_100009911694 [0,1,1,0,0,0|2,0,0]=4 1839 B15R1.3965 CCCCOCC(=O)c1ccccc1Br 1458a_100000188424_100011995733 [0,1,1,0,0,0|2,0,0]=4 1840 B15R1.3965 CCCCOCC(=O)c1ccccc1Br 34a_100000210227_100000199116 [0,1,1,0,0,0|2,0,0]=4 1841 B15R1.3965 CCCCOCC(=O)c1ccccc1C 1458a_100000212026_100011995733 [0,1,1,0,0,0|2,0,0]=4 1842 B15R1.3965 CCCCOCC(=O)c1ccccc1C 34a_100000210227_100000741374 [0,1,1,0,0,0|2,0,0]=4 1843 B15R1.3965 CCCCOCC(=O)c1ccccc1C 7a_100000210227_100000741374 [0,1,1,0,0,0|2,0,0]=4 1844 B15R1.3965 CCCCOCC(=O)c1ccccc1Cl 1458a_100000185844_100011995733 [0,1,1,0,0,0|2,0,0]=4 1845 B15R1.3965 CCCCOCC(=O)c1ccccc1Cl 34a_100000210227_100000211432 [0,1,1,0,0,0|2,0,0]=4 1846 B15R1.3965 CCCCOCC(=O)c1ccccc1F 1458a_100000188656_100011995733 [0,1,1,0,0,0|2,0,0]=4 1847 B15R1.3965 CCCCOCC(=O)c1ccccc1F 34a_100000210227_100000204681 [0,1,1,0,0,0|2,0,0]=4 1848 B15R1.3965 CCCCOCC(=O)c1ccccc1F 7a_100000210227_100000204681 [0,1,1,0,0,0|2,0,0]=4 1849 B15R1.3965 CCCCOCC(=O)c1ccccc1I 1458a_100000187884_100011995733 [0,1,1,0,0,0|2,0,0]=4 1850 B15R1.3965 CCCCOCC(=O)c1ccccc1O 1458a_100015234032_100011995733 [0,1,1,0,0,0|2,0,0]=4 1851 B15R1.3965 CCCCOCC(=O)c1ccccc1O 7a_100000210227_100000188908 [0,1,1,0,0,0|2,0,0]=4 1852 B15R1.3965 CCCCOCC(=O)c1ccccc1[O-] 1458a_100009911694_100011995733 [0,1,1,0,0,0|2,0,0]=4 1853 B15R1.3965 CCCCSCC(=O)c1ccccc1Br 62a_100000199116_100000210210 [0,1,1,0,0,0|2,0,0]=4 1854 B15R1.3965 CCCCSCC(=O)c1ccccc1C 62a_100000210211_100000741374 [0,1,1,0,0,0|2,0,0]=4 1855 B15R1.3965 CCCCSCC(=O)c1ccccc1C 62a_100000741374_100000210210 [0,1,1,0,0,0|2,0,0]=4 1856 B15R1.3965 CCCCSCC(=O)c1ccccc1Cl 62a_100000210211_100000211432 [0,1,1,0,0,0|2,0,0]=4 1857 B15R1.3965 CCCCSCC(=O)c1ccccc1Cl 62a_100000211432_100000210210 [0,1,1,0,0,0|2,0,0]=4 1858 B15R1.3965 CCCCSCC(=O)c1ccccc1F 62a_100000204681_100000210210 [0,1,1,0,0,0|2,0,0]=4 1859 B15R1.3965 CCCCSCC(=O)c1ccccc1F 62a_100000210211_100000204681 [0,1,1,0,0,0|2,0,0]=4 1860 B15R1.3965 CCCCSCC(=O)c1ccccc1O 62a_100000188908_100000210210 [0,1,1,0,0,0|2,0,0]=4 1861 B15R1.3965 CCCCSCC(=O)c1ccccc1O 62a_100000210211_100000188908 [0,1,1,0,0,0|2,0,0]=4 1862 B15R1.3965 CCCOCCC(=O)c1ccccc1Br 1458a_100000188424_100011215938 [0,1,1,0,0,0|2,0,0]=4 1863 B15R1.3965 CCCOCCC(=O)c1ccccc1C 1458a_100000212026_100011215938 [0,1,1,0,0,0|2,0,0]=4 1864 B15R1.3965 CCCOCCC(=O)c1ccccc1Cl 1458a_100000185844_100011215938 [0,1,1,0,0,0|2,0,0]=4 1865 B15R1.3965 CCCOCCC(=O)c1ccccc1F 1458a_100000188656_100011215938 [0,1,1,0,0,0|2,0,0]=4 1866 B15R1.3965 CCCOCCC(=O)c1ccccc1I 1458a_100000187884_100011215938 [0,1,1,0,0,0|2,0,0]=4 1867 B15R1.3965 CCCOCCC(=O)c1ccccc1O 1458a_100015234032_100011215938 [0,1,1,0,0,0|2,0,0]=4 1868 B15R1.3965 CCCOCCC(=O)c1ccccc1[O-] 1458a_100009911694_100011215938 [0,1,1,0,0,0|2,0,0]=4 1869 B15R1.3965 CCCSCCC(=O)c1ccccc1F 62a_100000086012_100000210303 [0,1,1,0,0,0|2,0,0]=4 1870 B15R1.3965 CCCSCCC(=O)c1ccccc1F 62a_100000210303_100000086012 [0,1,1,0,0,0|2,0,0]=4 1871 B15R1.3965 CCCSCCC(=O)c1ccccc1O 62a_100000210303_100009873196 [0,1,1,0,0,0|2,0,0]=4 1872 B15R1.3965 CCNCCNC(=O)c1ccccc1Cl 2230a_100000737833_100000210202 [0,1,1,0,0,0|2,0,0]=4 1873 B15R1.3965 CCNCCNC(=O)c1ccccc1Cl 34a_100000737833_100000210202 [0,1,1,0,0,0|2,0,0]=4 1874 B15R1.3965 CCOCCCC(=O)c1ccccc1Br 1458a_100000188424_100012232248 [0,1,1,0,0,0|2,0,0]=4 1875 B15R1.3965 CCOCCCC(=O)c1ccccc1C 1458a_100000212026_100012232248 [0,1,1,0,0,0|2,0,0]=4 1876 B15R1.3965 CCOCCCC(=O)c1ccccc1Cl 1458a_100000185844_100012232248 [0,1,1,0,0,0|2,0,0]=4 1877 B15R1.3965 CCOCCCC(=O)c1ccccc1F 1458a_100000188656_100012232248 [0,1,1,0,0,0|2,0,0]=4 1878 B15R1.3965 CCOCCCC(=O)c1ccccc1I 1458a_100000187884_100012232248 [0,1,1,0,0,0|2,0,0]=4 1879 B15R1.3965 CCOCCCC(=O)c1ccccc1O 1458a_100015234032_100012232248 [0,1,1,0,0,0|2,0,0]=4 1880 B15R1.3965 CCOCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100012232248 [0,1,1,0,0,0|2,0,0]=4 1881 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 11a_100011200944_100000188424 [0,1,1,0,0,0|2,0,0]=4 1882 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 1626a_102516460346_100000188424 [0,1,1,0,0,0|2,0,0]=4 1883 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 240690a_100011200944_100000188424 [0,1,1,0,0,0|2,0,0]=4 1884 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 34a_200000158863_100000210202 [0,1,1,0,0,0|2,0,0]=4 1885 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 527a_100011200944_100000188424 [0,1,1,0,0,0|2,0,0]=4 1886 B15R1.3965 CCOCCNC(=O)c1ccccc1Br 7a_200000158863_100000210202 [0,1,1,0,0,0|2,0,0]=4 1887 B15R1.3965 CCOCCNC(=O)c1ccccc1C 11a_100011200944_100000212026 [0,1,1,0,0,0|2,0,0]=4 1888 B15R1.3965 CCOCCNC(=O)c1ccccc1C 1626a_102516460346_100000212026 [0,1,1,0,0,0|2,0,0]=4 1889 B15R1.3965 CCOCCNC(=O)c1ccccc1C 240690a_100011200944_100000212026 [0,1,1,0,0,0|2,0,0]=4 1890 B15R1.3965 CCOCCNC(=O)c1ccccc1C 527a_100011200944_100000212026 [0,1,1,0,0,0|2,0,0]=4 1891 B15R1.3965 CCOCCNC(=O)c1ccccc1Cl 11a_100011200944_100000185844 [0,1,1,0,0,0|2,0,0]=4 1892 B15R1.3965 CCOCCNC(=O)c1ccccc1Cl 1626a_102516460346_100000185844 [0,1,1,0,0,0|2,0,0]=4 1893 B15R1.3965 CCOCCNC(=O)c1ccccc1Cl 240690a_100011200944_100000185844 [0,1,1,0,0,0|2,0,0]=4 1894 B15R1.3965 CCOCCNC(=O)c1ccccc1Cl 527a_100011200944_100000185844 [0,1,1,0,0,0|2,0,0]=4 1895 B15R1.3965 CCOCCNC(=O)c1ccccc1F 11a_100011200944_100000188656 [0,1,1,0,0,0|2,0,0]=4 1896 B15R1.3965 CCOCCNC(=O)c1ccccc1F 1626a_102516460346_100000188656 [0,1,1,0,0,0|2,0,0]=4 1897 B15R1.3965 CCOCCNC(=O)c1ccccc1F 240690a_100011200944_100000188656 [0,1,1,0,0,0|2,0,0]=4 1898 B15R1.3965 CCOCCNC(=O)c1ccccc1F 527a_100011200944_100000188656 [0,1,1,0,0,0|2,0,0]=4 1899 B15R1.3965 CCOCCNC(=O)c1ccccc1I 11a_100011200944_100000187884 [0,1,1,0,0,0|2,0,0]=4 1900 B15R1.3965 CCOCCNC(=O)c1ccccc1I 1626a_102516460346_100000187884 [0,1,1,0,0,0|2,0,0]=4 1901 B15R1.3965 CCOCCNC(=O)c1ccccc1I 240690a_100011200944_100000187884 [0,1,1,0,0,0|2,0,0]=4 1902 B15R1.3965 CCOCCNC(=O)c1ccccc1I 527a_100011200944_100000187884 [0,1,1,0,0,0|2,0,0]=4 1903 B15R1.3965 CCOCCNC(=O)c1ccccc1O 240690a_100011200944_100015234032 [0,1,1,0,0,0|2,0,0]=4 1904 B15R1.3965 CCOCCNC(=O)c1ccccc1[O-] 1626a_102516460346_100009911694 [0,1,1,0,0,0|2,0,0]=4 1905 B15R1.3965 CCOCCNC(=O)c1ccccc1[O-] 240690a_100011200944_100009911694 [0,1,1,0,0,0|2,0,0]=4 1906 B15R1.3965 CCOCCNC(=O)c1ccccc1[O-] 527a_100011200944_100009911694 [0,1,1,0,0,0|2,0,0]=4 1907 B15R1.3965 CCSCCNC(=O)c1ccccc1Br 11a_100000106463_100000188424 [0,1,1,0,0,0|2,0,0]=4 1908 B15R1.3965 CCSCCNC(=O)c1ccccc1Br 1626a_100000106463_100000188424 [0,1,1,0,0,0|2,0,0]=4 1909 B15R1.3965 CCSCCNC(=O)c1ccccc1Br 240690a_100000106463_100000188424 [0,1,1,0,0,0|2,0,0]=4 1910 B15R1.3965 CCSCCNC(=O)c1ccccc1Br 527a_100000106463_100000188424 [0,1,1,0,0,0|2,0,0]=4 1911 B15R1.3965 CCSCCNC(=O)c1ccccc1C 11a_100000106463_100000212026 [0,1,1,0,0,0|2,0,0]=4 1912 B15R1.3965 CCSCCNC(=O)c1ccccc1C 1626a_100000106463_100000212026 [0,1,1,0,0,0|2,0,0]=4 1913 B15R1.3965 CCSCCNC(=O)c1ccccc1C 240690a_100000106463_100000212026 [0,1,1,0,0,0|2,0,0]=4 1914 B15R1.3965 CCSCCNC(=O)c1ccccc1C 527a_100000106463_100000212026 [0,1,1,0,0,0|2,0,0]=4 1915 B15R1.3965 CCSCCNC(=O)c1ccccc1Cl 11a_100000106463_100000185844 [0,1,1,0,0,0|2,0,0]=4 1916 B15R1.3965 CCSCCNC(=O)c1ccccc1Cl 1626a_100000106463_100000185844 [0,1,1,0,0,0|2,0,0]=4 1917 B15R1.3965 CCSCCNC(=O)c1ccccc1Cl 240690a_100000106463_100000185844 [0,1,1,0,0,0|2,0,0]=4 1918 B15R1.3965 CCSCCNC(=O)c1ccccc1Cl 527a_100000106463_100000185844 [0,1,1,0,0,0|2,0,0]=4 1919 B15R1.3965 CCSCCNC(=O)c1ccccc1F 11a_100000106463_100000188656 [0,1,1,0,0,0|2,0,0]=4 1920 B15R1.3965 CCSCCNC(=O)c1ccccc1F 1626a_100000106463_100000188656 [0,1,1,0,0,0|2,0,0]=4 1921 B15R1.3965 CCSCCNC(=O)c1ccccc1F 240690a_100000106463_100000188656 [0,1,1,0,0,0|2,0,0]=4 1922 B15R1.3965 CCSCCNC(=O)c1ccccc1F 527a_100000106463_100000188656 [0,1,1,0,0,0|2,0,0]=4 1923 B15R1.3965 CCSCCNC(=O)c1ccccc1I 11a_100000106463_100000187884 [0,1,1,0,0,0|2,0,0]=4 1924 B15R1.3965 CCSCCNC(=O)c1ccccc1I 1626a_100000106463_100000187884 [0,1,1,0,0,0|2,0,0]=4 1925 B15R1.3965 CCSCCNC(=O)c1ccccc1I 240690a_100000106463_100000187884 [0,1,1,0,0,0|2,0,0]=4 1926 B15R1.3965 CCSCCNC(=O)c1ccccc1I 527a_100000106463_100000187884 [0,1,1,0,0,0|2,0,0]=4 1927 B15R1.3965 CCSCCNC(=O)c1ccccc1O 240690a_100000106463_100015234032 [0,1,1,0,0,0|2,0,0]=4 1928 B15R1.3965 CCSCCNC(=O)c1ccccc1[O-] 1626a_100000106463_100009911694 [0,1,1,0,0,0|2,0,0]=4 1929 B15R1.3965 CCSCCNC(=O)c1ccccc1[O-] 240690a_100000106463_100009911694 [0,1,1,0,0,0|2,0,0]=4 1930 B15R1.3965 CCSCCNC(=O)c1ccccc1[O-] 527a_100000106463_100009911694 [0,1,1,0,0,0|2,0,0]=4 1931 B15R1.3965 COCCCCC(=O)c1ccccc1Br 1458a_100000188424_100000755781 [0,1,1,0,0,0|2,0,0]=4 1932 B15R1.3965 COCCCCC(=O)c1ccccc1C 1458a_100000212026_100000755781 [0,1,1,0,0,0|2,0,0]=4 1933 B15R1.3965 COCCCCC(=O)c1ccccc1Cl 1458a_100000185844_100000755781 [0,1,1,0,0,0|2,0,0]=4 1934 B15R1.3965 COCCCCC(=O)c1ccccc1F 1458a_100000188656_100000755781 [0,1,1,0,0,0|2,0,0]=4 1935 B15R1.3965 COCCCCC(=O)c1ccccc1I 1458a_100000187884_100000755781 [0,1,1,0,0,0|2,0,0]=4 1936 B15R1.3965 COCCCCC(=O)c1ccccc1O 1458a_100015234032_100000755781 [0,1,1,0,0,0|2,0,0]=4 1937 B15R1.3965 COCCCCC(=O)c1ccccc1[O-] 1458a_100009911694_100000755781 [0,1,1,0,0,0|2,0,0]=4 1938 B15R1.3965 COCCCNC(=O)c1ccccc1Br 1626a_100150723488_100000188424 [0,1,1,0,0,0|2,0,0]=4 1939 B15R1.3965 COCCCNC(=O)c1ccccc1Br 240690a_100150723488_100000188424 [0,1,1,0,0,0|2,0,0]=4 1940 B15R1.3965 COCCCNC(=O)c1ccccc1Br 527a_100150723488_100000188424 [0,1,1,0,0,0|2,0,0]=4 1941 B15R1.3965 COCCCNC(=O)c1ccccc1C 1626a_100150723488_100000212026 [0,1,1,0,0,0|2,0,0]=4 1942 B15R1.3965 COCCCNC(=O)c1ccccc1C 240690a_100150723488_100000212026 [0,1,1,0,0,0|2,0,0]=4 1943 B15R1.3965 COCCCNC(=O)c1ccccc1C 527a_100150723488_100000212026 [0,1,1,0,0,0|2,0,0]=4 1944 B15R1.3965 COCCCNC(=O)c1ccccc1Cl 1626a_100150723488_100000185844 [0,1,1,0,0,0|2,0,0]=4 1945 B15R1.3965 COCCCNC(=O)c1ccccc1Cl 240690a_100150723488_100000185844 [0,1,1,0,0,0|2,0,0]=4 1946 B15R1.3965 COCCCNC(=O)c1ccccc1Cl 527a_100150723488_100000185844 [0,1,1,0,0,0|2,0,0]=4 1947 B15R1.3965 COCCCNC(=O)c1ccccc1F 1626a_100150723488_100000188656 [0,1,1,0,0,0|2,0,0]=4 1948 B15R1.3965 COCCCNC(=O)c1ccccc1F 240690a_100150723488_100000188656 [0,1,1,0,0,0|2,0,0]=4 1949 B15R1.3965 COCCCNC(=O)c1ccccc1F 527a_100150723488_100000188656 [0,1,1,0,0,0|2,0,0]=4 1950 B15R1.3965 COCCCNC(=O)c1ccccc1I 1626a_100150723488_100000187884 [0,1,1,0,0,0|2,0,0]=4 1951 B15R1.3965 COCCCNC(=O)c1ccccc1I 240690a_100150723488_100000187884 [0,1,1,0,0,0|2,0,0]=4 1952 B15R1.3965 COCCCNC(=O)c1ccccc1I 527a_100150723488_100000187884 [0,1,1,0,0,0|2,0,0]=4 1953 B15R1.3965 COCCCNC(=O)c1ccccc1N 34a_200011191992_200000210301 [0,1,1,0,0,0|2,0,0]=4 1954 B15R1.3965 COCCCNC(=O)c1ccccc1O 240690a_100150723488_100015234032 [0,1,1,0,0,0|2,0,0]=4 1955 B15R1.3965 COCCCNC(=O)c1ccccc1[O-] 1626a_100150723488_100009911694 [0,1,1,0,0,0|2,0,0]=4 1956 B15R1.3965 COCCCNC(=O)c1ccccc1[O-] 240690a_100150723488_100009911694 [0,1,1,0,0,0|2,0,0]=4 1957 B15R1.3965 COCCCNC(=O)c1ccccc1[O-] 527a_100150723488_100009911694 [0,1,1,0,0,0|2,0,0]=4 1958 B15R1.3965 CSCCCNC(=O)c1ccccc1Br 11a_100000749238_100000188424 [0,1,1,0,0,0|2,0,0]=4 1959 B15R1.3965 CSCCCNC(=O)c1ccccc1Br 1626a_100000749238_100000188424 [0,1,1,0,0,0|2,0,0]=4 1960 B15R1.3965 CSCCCNC(=O)c1ccccc1Br 240690a_100000749238_100000188424 [0,1,1,0,0,0|2,0,0]=4 1961 B15R1.3965 CSCCCNC(=O)c1ccccc1Br 527a_100000749238_100000188424 [0,1,1,0,0,0|2,0,0]=4 1962 B15R1.3965 CSCCCNC(=O)c1ccccc1C 11a_100000749238_100000212026 [0,1,1,0,0,0|2,0,0]=4 1963 B15R1.3965 CSCCCNC(=O)c1ccccc1C 1626a_100000749238_100000212026 [0,1,1,0,0,0|2,0,0]=4 1964 B15R1.3965 CSCCCNC(=O)c1ccccc1C 240690a_100000749238_100000212026 [0,1,1,0,0,0|2,0,0]=4 1965 B15R1.3965 CSCCCNC(=O)c1ccccc1C 527a_100000749238_100000212026 [0,1,1,0,0,0|2,0,0]=4 1966 B15R1.3965 CSCCCNC(=O)c1ccccc1Cl 11a_100000749238_100000185844 [0,1,1,0,0,0|2,0,0]=4 1967 B15R1.3965 CSCCCNC(=O)c1ccccc1Cl 1626a_100000749238_100000185844 [0,1,1,0,0,0|2,0,0]=4 1968 B15R1.3965 CSCCCNC(=O)c1ccccc1Cl 240690a_100000749238_100000185844 [0,1,1,0,0,0|2,0,0]=4 1969 B15R1.3965 CSCCCNC(=O)c1ccccc1Cl 527a_100000749238_100000185844 [0,1,1,0,0,0|2,0,0]=4 1970 B15R1.3965 CSCCCNC(=O)c1ccccc1F 11a_100000749238_100000188656 [0,1,1,0,0,0|2,0,0]=4 1971 B15R1.3965 CSCCCNC(=O)c1ccccc1F 1626a_100000749238_100000188656 [0,1,1,0,0,0|2,0,0]=4 1972 B15R1.3965 CSCCCNC(=O)c1ccccc1F 240690a_100000749238_100000188656 [0,1,1,0,0,0|2,0,0]=4 1973 B15R1.3965 CSCCCNC(=O)c1ccccc1F 527a_100000749238_100000188656 [0,1,1,0,0,0|2,0,0]=4 1974 B15R1.3965 CSCCCNC(=O)c1ccccc1I 11a_100000749238_100000187884 [0,1,1,0,0,0|2,0,0]=4 1975 B15R1.3965 CSCCCNC(=O)c1ccccc1I 1626a_100000749238_100000187884 [0,1,1,0,0,0|2,0,0]=4 1976 B15R1.3965 CSCCCNC(=O)c1ccccc1I 240690a_100000749238_100000187884 [0,1,1,0,0,0|2,0,0]=4 1977 B15R1.3965 CSCCCNC(=O)c1ccccc1I 527a_100000749238_100000187884 [0,1,1,0,0,0|2,0,0]=4 1978 B15R1.3965 CSCCCNC(=O)c1ccccc1O 240690a_100000749238_100015234032 [0,1,1,0,0,0|2,0,0]=4 1979 B15R1.3965 CSCCCNC(=O)c1ccccc1[O-] 1626a_100000749238_100009911694 [0,1,1,0,0,0|2,0,0]=4 1980 B15R1.3965 CSCCCNC(=O)c1ccccc1[O-] 240690a_100000749238_100009911694 [0,1,1,0,0,0|2,0,0]=4 1981 B15R1.3965 CSCCCNC(=O)c1ccccc1[O-] 527a_100000749238_100009911694 [0,1,1,0,0,0|2,0,0]=4 1982 B15R1.3965 Cc1ccccc1C(=O)CCCCCF 1458a_100000212026_100000729378 [0,1,1,0,0,0|2,0,0]=4 1983 B15R1.3965 Cc1ccccc1C(=O)CCCCCO 1458a_100000212026_100000746330 [0,1,1,0,0,0|2,0,0]=4 1984 B15R1.3965 Cc1ccccc1C(=O)NCCCCO 240690a_100000750430_100000212026 [0,1,1,0,0,0|2,0,0]=4 1985 B15R1.3965 Cc1ccccc1C(=O)NCCCCO 527a_100000750430_100000212026 [0,1,1,0,0,0|2,0,0]=4 1986 B15R1.3965 O=C(CCCCCF)c1ccccc1Br 1458a_100000188424_100000729378 [0,1,1,0,0,0|2,0,0]=4 1987 B15R1.3965 O=C(CCCCCF)c1ccccc1Cl 1458a_100000185844_100000729378 [0,1,1,0,0,0|2,0,0]=4 1988 B15R1.3965 O=C(CCCCCF)c1ccccc1F 1458a_100000188656_100000729378 [0,1,1,0,0,0|2,0,0]=4 1989 B15R1.3965 O=C(CCCCCF)c1ccccc1I 1458a_100000187884_100000729378 [0,1,1,0,0,0|2,0,0]=4 1990 B15R1.3965 O=C(CCCCCF)c1ccccc1O 1458a_100015234032_100000729378 [0,1,1,0,0,0|2,0,0]=4 1991 B15R1.3965 O=C(CCCCCF)c1ccccc1[O-] 1458a_100009911694_100000729378 [0,1,1,0,0,0|2,0,0]=4 1992 B15R1.3965 O=C(CCCCCO)c1ccccc1Br 1458a_100000188424_100000746330 [0,1,1,0,0,0|2,0,0]=4 1993 B15R1.3965 O=C(CCCCCO)c1ccccc1Cl 1458a_100000185844_100000746330 [0,1,1,0,0,0|2,0,0]=4 1994 B15R1.3965 O=C(CCCCCO)c1ccccc1F 1458a_100000188656_100000746330 [0,1,1,0,0,0|2,0,0]=4 1995 B15R1.3965 O=C(CCCCCO)c1ccccc1I 1458a_100000187884_100000746330 [0,1,1,0,0,0|2,0,0]=4 1996 B15R1.3965 O=C(CCCCCO)c1ccccc1O 1458a_100015234032_100000746330 [0,1,1,0,0,0|2,0,0]=4 1997 B15R1.3965 O=C(CCCCCO)c1ccccc1[O-] 1458a_100009911694_100000746330 [0,1,1,0,0,0|2,0,0]=4 1998 B15R1.3965 O=C(NCCCCO)c1ccccc1Br 240690a_100000750430_100000188424 [0,1,1,0,0,0|2,0,0]=4 1999 B15R1.3965 O=C(NCCCCO)c1ccccc1Br 527a_100000750430_100000188424 [0,1,1,0,0,0|2,0,0]=4 2000 B15R1.3965 O=C(NCCCCO)c1ccccc1Cl 240690a_100000750430_100000185844 [0,1,1,0,0,0|2,0,0]=4 2001 B15R1.3965 O=C(NCCCCO)c1ccccc1Cl 527a_100000750430_100000185844 [0,1,1,0,0,0|2,0,0]=4 2002 B15R1.3965 O=C(NCCCCO)c1ccccc1F 240690a_100000750430_100000188656 [0,1,1,0,0,0|2,0,0]=4 2003 B15R1.3965 O=C(NCCCCO)c1ccccc1F 527a_100000750430_100000188656 [0,1,1,0,0,0|2,0,0]=4 2004 B15R1.3965 O=C(NCCCCO)c1ccccc1I 240690a_100000750430_100000187884 [0,1,1,0,0,0|2,0,0]=4 2005 B15R1.3965 O=C(NCCCCO)c1ccccc1I 527a_100000750430_100000187884 [0,1,1,0,0,0|2,0,0]=4 2006 B15R1.3965 O=C(NCCCCO)c1ccccc1O 240690a_100000750430_100015234032 [0,1,1,0,0,0|2,0,0]=4 2007 B15R1.3965 O=C(NCCCCO)c1ccccc1[O-] 240690a_100000750430_100009911694 [0,1,1,0,0,0|2,0,0]=4 2008 B15R1.3965 O=C(NCCCCO)c1ccccc1[O-] 527a_100000750430_100009911694 [0,1,1,0,0,0|2,0,0]=4 2009 B15R1.3965 [13CH3]OCCCNC(=O)c1ccccc1N 34a_200011191992_200025704644 [0,1,1,0,0,0|2,0,0]=4 2010 B15R1.152 CC(=O)NC(CCCO)c1ccccc1 240690a_100000759318_100015343762 [0,1,1,0,0,0|2,0,0]=4 2011 B15R1.152 CC(=O)NC(CCCO)c1ccccc1 527a_100000759318_100103153847 [0,1,1,0,0,0|2,0,0]=4 2012 B15R1.152 CCCCC(NC(=O)C)c1cccnc1 11a_200011711859_100015343762 [0,1,1,0,0,0|2,0,0]=4 2013 B15R1.152 CCCCC(NC(=O)C)c1cccnc1 1626a_200011711859_100015343762 [0,1,1,0,0,0|2,0,0]=4 2014 B15R1.152 CCCCC(NC(=O)C)c1cccnc1 240690a_200011711859_100015343762 [0,1,1,0,0,0|2,0,0]=4 2015 B15R1.152 CCCCC(NC(=O)C)c1cccnc1 527a_200011711859_100103153847 [0,1,1,0,0,0|2,0,0]=4 2016 B15R1.152 CCCCC(NC(=O)C)c1ccncc1 11a_100015203128_100015343762 [0,1,1,0,0,0|2,0,0]=4 2017 B15R1.152 CCCCC(NC(=O)C)c1ccncc1 1626a_100015203128_100015343762 [0,1,1,0,0,0|2,0,0]=4 2018 B15R1.152 CCCCC(NC(=O)C)c1ccncc1 240690a_100015203128_100015343762 [0,1,1,0,0,0|2,0,0]=4 2019 B15R1.152 CCCCC(NC(=O)C)c1ccncc1 527a_100015203128_100103153847 [0,1,1,0,0,0|2,0,0]=4 2020 B15R1.152 CCCCC(OC(C)C)c1ccccc1 34a_100000698411_100000210206 [0,1,1,0,0,0|1,0,1]=4 2021 B15R1.152 CCCCC(OC(C)C)c1ccccc1 7a_100000698411_100000210206 [0,1,1,0,0,0|1,0,1]=4 2022 B15R1.152 CCCCN(CC(=O)N)c1ccccc1 2230a_100000211623_100000747473 [0,1,1,0,0,0|2,0,0]=4 2023 B15R1.152 CCCCN(CC(=O)N)c1ccccc1 2230a_100000212578_100000210211 [0,1,1,0,0,0|2,0,0]=4 2024 B15R1.152 CCCCN(CC(=O)N)c1ccccc1 269982a_100000211623_100000187820 [0,1,1,0,0,0|2,0,0]=4 2025 B15R1.152 CCCCN(CC(=O)N)c1ccccc1 269982a_100000212578_100000210211 [0,1,1,0,0,0|2,0,0]=4 2026 B15R1.152 CCCCN(CC(=O)N)c1ccccc1 34a_100000211623_100000187820 [0,1,1,0,0,0|2,0,0]=4 2027 B15R1.152 CCCCN(CC(=O)O)c1ccccc1 269956a_100000212060_100000210211 [0,1,1,0,0,0|2,0,0]=4 2028 B15R1.152 CCCCN(CC(=O)[O-])c1ccccc1 269982a_100000211623_100020667443 [0,1,1,0,0,0|2,0,0]=4 2029 B15R1.152 CCCCN(CC(=O)[O-])c1ccccc1 34a_100000211623_100020667443 [0,1,1,0,0,0|2,0,0]=4 2030 B15R1.152 CCCN[C@@H](CC(=O)O)c1ccccc1 269956a_100000751379_100000210207 [0,1,1,0,0,0|2,0,0]=4 2031 B15R1.152 CCNCC(CC(=O)O)c1ccccc1 269956a_100016987574_100000210202 [0,1,1,0,0,0|2,0,0]=4 2032 B15R1.152 CCOCC(NC(=O)C)c1ccccc1 34a_100011822529_100000210202 [0,1,1,0,0,0|2,0,0]=4 2033 B15R1.152 CCOCC(NC(=O)C)c1ccccc1 7a_100011822529_100000210202 [0,1,1,0,0,0|2,0,0]=4 2034 B15R1.1412 C=CCC(OCCCC)c1ccccc1 34a_100000687291_100000210210 [0,1,1,0,0,0|2,0,0]=4 2035 B15R1.1412 C=CCC(OCCCC)c1ccccc1 7a_100000687291_100000210211 [0,1,1,0,0,0|2,0,0]=4 2036 B15R1.1412 CCCCCC(OCC)c1ccccc1 34a_100000748122_100000210202 [0,1,1,0,0,0|1,0,1]=4 2037 B15R1.1412 CCCCCC(OCC)c1ccccc1 7a_100000748122_100000210202 [0,1,1,0,0,0|1,0,1]=4 2038 B15R1.1412 CCCCCC(OCF)c1ccccc1 34a_100000748122_100015361967 [0,1,1,0,0,0|1,0,1]=4 2039 B15R1.1412 CCCCCC(OCF)c1ccccc1 7a_100000748122_100015361967 [0,1,1,0,0,0|1,0,1]=4 2040 B15R1.1412 CCCCCN(CC=O)c1ccccc1 2230a_200000219563_200015260668 [0,1,1,0,0,0|2,0,0]=4 2041 B15R1.1412 CCCCCN(CC=O)c1ccccc1 269982a_200000219563_200015260668 [0,1,1,0,0,0|2,0,0]=4 2042 B15R1.1412 CCCCCN(CC=O)c1ccccc1 34a_200000219563_200009817547 [0,1,1,0,0,0|2,0,0]=4 2043 B15R1.1412 CCCCCN(CC=O)c1ccccc1 7a_200000219563_200015260668 [0,1,1,0,0,0|2,0,0]=4 2044 B15R1.3913 C#CCOC(CCCC)c1ccccc1 34a_100000698411_100000184674 [0,1,1,0,0,0|1,0,1]=4 2045 B15R1.3913 C#CCOC(CCCC)c1ccccc1 7a_100000698411_100000038162 [0,1,1,0,0,0|1,0,1]=4 2046 B15R1.3913 C=CCOC(CCCC)c1ccccc1 34a_100000698411_100015514636 [0,1,1,0,0,0|1,0,0]=3 2047 B15R1.3913 C=CCOC(CCCC)c1ccccc1 7a_100000698411_100015514636 [0,1,1,0,0,0|1,0,0]=3 2048 B15R1.3913 CCCCC(NCC=O)c1cccnc1 2230a_200011711859_200015260668 [0,1,1,0,0,0|2,0,0]=4 2049 B15R1.3913 CCCCC(NCC=O)c1ccncc1 2230a_100015203128_200015260668 [0,1,1,0,0,0|2,0,0]=4 2050 B15R1.3913 CCCCC(OCC#N)c1ccccc1 7a_100000698411_100011215382 [0,1,1,0,0,0|1,0,1]=4 2051 B15R1.3913 CCCCC(OCC=O)c1ccccc1 34a_100000698411_200009817547 [0,1,1,0,0,0|0,0,0]=2 2052 B15R1.3913 CCCCC(OCC=O)c1ccccc1 7a_100000698411_200015260668 [0,1,1,0,0,0|0,0,0]=2 2053 B15R1.3913 CCCCC(OCCC)c1ccccc1 34a_100000698411_100000210303 [0,1,1,0,0,0|1,0,1]=4 2054 B15R1.3913 CCCCC(OCCC)c1ccccc1 7a_100000698411_100000210303 [0,1,1,0,0,0|1,0,1]=4 2055 B15R1.3913 CCCCC(OCCF)c1ccccc1 34a_100000698411_100011217306 [0,1,1,0,0,0|1,0,1]=4 2056 B15R1.3913 CCCCC(OCCF)c1ccccc1 7a_100000698411_100011217306 [0,1,1,0,0,0|1,0,1]=4 2057 B15R1.3913 CCCCC(OCCO)c1ccccc1 34a_100000698411_100000211926 [0,1,1,0,0,0|0,0,2]=4 2058 B15R1.3913 CCCCC(OCCO)c1ccccc1 7a_100000698411_100000211926 [0,1,1,0,0,0|0,0,2]=4 2059 B15R1.3913 CCCCC(OCSC)c1ccccc1 34a_100000698411_100011218213 [0,1,1,0,0,0|0,1,1]=4 2060 B15R1.3913 O=CCNC(CCCO)c1ccccc1 2230a_100000759318_200015260668 [0,1,1,0,0,0|2,0,0]=4 2061 B15R1.3913 O=CCNC(CCCO)c1ccccc1 34a_100000759318_200009817547 [0,1,1,0,0,0|2,0,0]=4 2062 B15R1.241 C#CCCCSc1ccccc1C(=O)O 62a_100011215417_100000734275 [0,1,1,0,0,0|0,0,2]=4 2063 B15R1.241 C#CCCCSc1ccccc1C(=O)O 62a_202125556159_100011215417 [0,1,1,0,0,0|0,0,2]=4 2064 B15R1.241 C#CCCNCc1ccccc1C(=O)O 269956a_100015183376_100000688953 [0,1,1,0,0,0|0,0,2]=4 2065 B15R1.241 C/C=C/CNCc1ccccc1C(=O)O 269956a_100015183376_100102629194 [0,1,1,0,0,0|0,0,2]=4 2066 B15R1.241 C=C(C)c1ccccc1CSCCCC 271570a_100000694244_200011870348 [0,1,1,0,0,0|2,0,0]=4 2067 B15R1.241 C=C(C)c1ccccc1NCCCCC 34a_100000037685_100000718602 [0,1,1,0,0,0|2,0,0]=4 2068 B15R1.241 C=CCCCSc1ccccc1C(=O)O 62a_100011713584_100000734275 [0,1,1,0,0,0|0,0,2]=4 2069 B15R1.241 C=CCCCSc1ccccc1C(=O)O 62a_202125556159_100000757094 [0,1,1,0,0,0|0,0,2]=4 2070 B15R1.241 C=CCCNCc1ccccc1C(=O)O 269956a_100015183376_100000754431 [0,1,1,0,0,0|0,0,2]=4 2071 B15R1.241 CC#CCNCc1ccccc1C(=O)O 269956a_100015183376_100000748600 [0,1,1,0,0,0|0,0,2]=4 2072 B15R1.241 CC(=O)c1ccccc1SCCCCF 62a_100000751169_100000729493 [0,1,1,0,0,0|2,0,0]=4 2073 B15R1.241 CC(=O)c1ccccc1SCCCCO 62a_100000751169_100000210776 [0,1,1,0,0,0|2,0,0]=4 2074 B15R1.241 CC/C=C\CSc1ccccc1C(=O)O 62a_100103147603_100000734275 [0,1,1,0,0,0|0,0,2]=4 2075 B15R1.241 CC/C=C\CSc1ccccc1C(=O)O 62a_202125556159_100103147603 [0,1,1,0,0,0|0,0,2]=4 2076 B15R1.241 CCC#CCSc1ccccc1C(=O)O 62a_100009813939_100000734275 [0,1,1,0,0,0|0,0,2]=4 2077 B15R1.241 CCC#CCSc1ccccc1C(=O)O 62a_202125556159_100009813939 [0,1,1,0,0,0|0,0,2]=4 2078 B15R1.241 CCCCC=Cc1ccccc1C(=O)C 271570a_100016275911_100000751169 [0,1,1,0,0,0|1,0,1]=4 2079 B15R1.241 CCCCC=Cc1ccccc1C(=O)N 271570a_100016275911_100000162227 [0,1,1,0,0,0|1,0,1]=4 2080 B15R1.241 CCCCCNc1ccccc1C(=O)N 34a_100000185089_100000718602 [0,1,1,0,0,0|1,0,0]=3 2081 B15R1.241 CCCCCNc1ccccc1C(C)O 2230a_100011405641_100000210326 [0,1,1,0,0,0|1,0,1]=4 2082 B15R1.241 CCCCCNc1cccnc1C(=O)N 27a_100000209983_200012359670 [0,1,1,0,0,0|2,0,0]=4 2083 B15R1.241 CCCCCNc1ccncc1C(=O)C 27a_100000209983_100160469449 [0,1,1,0,0,0|2,0,0]=4 2084 B15R1.241 CCCCCNc1ccncc1C(=O)N 27a_100000209983_100000697804 [0,1,1,0,0,0|2,0,0]=4 2085 B15R1.241 CCCCCNc1ncccc1C(=O)C 27a_100000209983_100009816689 [0,1,1,0,0,0|2,0,0]=4 2086 B15R1.241 CCCCCNc1ncccc1C(=O)N 27a_100000209983_100000162199 [0,1,1,0,0,0|2,0,0]=4 2087 B15R1.241 CCCCCOc1ccccc1C(=O)N 34a_100000192804_100000718602 [0,1,1,0,0,0|1,0,0]=3 2088 B15R1.241 CCCCCOc1ccccc1C(=O)N 7a_100000192804_100000210326 [0,1,1,0,0,0|1,0,0]=3 2089 B15R1.241 CCCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210326 [0,1,1,0,0,0|0,0,1]=3 2090 B15R1.241 CCCCCOc1ccccc1C(=S)N 7a_100000745089_100000210326 [0,1,1,0,0,0|1,1,0]=4 2091 B15R1.241 CCCCCOc1ccccc1C(C)O 34a_200011232679_100000718602 [0,1,1,0,0,0|1,0,1]=4 2092 B15R1.241 CCCCCOc1ccccc1C(C)O 7a_200011232679_100000210326 [0,1,1,0,0,0|1,0,1]=4 2093 B15R1.241 CCCCCOc1ccccc1[N+](=O)[O-] 34a_100000186319_100000718602 [0,1,1,0,0,0|1,0,1]=4 2094 B15R1.241 CCCCCOc1ccccc1[N+](=O)[O-] 7a_100000186319_100000210326 [0,1,1,0,0,0|1,0,1]=4 2095 B15R1.241 CCCCCOc1cccnc1C(=O)C 34a_100000087166_100000718602 [0,1,1,0,0,0|2,0,0]=4 2096 B15R1.241 CCCCCOc1cccnc1C(=O)C 7a_100000087166_100000210326 [0,1,1,0,0,0|2,0,0]=4 2097 B15R1.241 CCCCCOc1cccnc1C(=O)N 34a_200011215183_100000718602 [0,1,1,0,0,0|2,0,0]=4 2098 B15R1.241 CCCCCOc1cccnc1C(=O)N 7a_200011215183_100000210326 [0,1,1,0,0,0|2,0,0]=4 2099 B15R1.241 CCCCCOc1ccncc1C(=O)N 34a_200011998761_100000718602 [0,1,1,0,0,0|2,0,0]=4 2100 B15R1.241 CCCCCOc1cnccc1C(=O)C 7a_100009872882_100000210326 [0,1,1,0,0,0|2,0,0]=4 2101 B15R1.241 CCCCCOc1cnccc1C(=O)N 7a_100012022987_100000210326 [0,1,1,0,0,0|2,0,0]=4 2102 B15R1.241 CCCCCSc1ccccc1B(O)O 62a_100000210326_100000693059 [0,1,1,0,0,0|1,0,1]=4 2103 B15R1.241 CCCCCSc1ccccc1B(O)O 62a_100000693059_100000210326 [0,1,1,0,0,0|1,0,1]=4 2104 B15R1.241 CCCCCSc1ccccc1C(=O)C 62a_100000751169_100000210326 [0,1,1,0,0,0|1,0,0]=3 2105 B15R1.241 CCCCCSc1ccccc1C(=O)N 62a_100000162227_100000210326 [0,1,1,0,0,0|1,0,0]=3 2106 B15R1.241 CCCCCSc1ccccc1C(=O)N 62a_100000210326_100000162227 [0,1,1,0,0,0|1,0,0]=3 2107 B15R1.241 CCCCCSc1ccccc1C(=O)O 62a_100000210326_100000734275 [0,1,1,0,0,0|0,0,0]=2 2108 B15R1.241 CCCCCSc1ccccc1C(=O)O 62a_202125556159_100000210326 [0,1,1,0,0,0|0,0,0]=2 2109 B15R1.241 CCCCCSc1ccccc1C(C)O 62a_100000210326_100000702211 [0,1,1,0,0,0|1,0,1]=4 2110 B15R1.241 CCCCCSc1ccccc1C(C)O 62a_100000702211_100000210326 [0,1,1,0,0,0|1,0,1]=4 2111 B15R1.241 CCCCCSc1ccccc1S(=O)C 62a_100000734199_100000210326 [0,1,1,0,0,0|2,0,0]=4 2112 B15R1.241 CCCCCSc1cccnc1C(=O)C 62a_100000210326_100012348690 [0,1,1,0,0,0|2,0,0]=4 2113 B15R1.241 CCCCCSc1cccnc1C(=O)C 62a_100012348690_100000210326 [0,1,1,0,0,0|2,0,0]=4 2114 B15R1.241 CCCCCSc1cccnc1C(=O)N 62a_100000210326_200012359670 [0,1,1,0,0,0|2,0,0]=4 2115 B15R1.241 CCCCCSc1cccnc1C(=O)N 62a_200012359670_100000210326 [0,1,1,0,0,0|2,0,0]=4 2116 B15R1.241 CCCCCSc1ccncc1C(=O)C 62a_100000210326_100160469449 [0,1,1,0,0,0|2,0,0]=4 2117 B15R1.241 CCCCCSc1ccncc1C(=O)C 62a_100160469449_100000210326 [0,1,1,0,0,0|2,0,0]=4 2118 B15R1.241 CCCCCSc1ccncc1C(=O)N 62a_100000210326_100000697804 [0,1,1,0,0,0|2,0,0]=4 2119 B15R1.241 CCCCCSc1ccncc1C(=O)N 62a_100000697804_100000210326 [0,1,1,0,0,0|2,0,0]=4 2120 B15R1.241 CCCCCSc1cnccc1C(=O)C 62a_100000210326_100009993184 [0,1,1,0,0,0|2,0,0]=4 2121 B15R1.241 CCCCCSc1cnccc1C(=O)C 62a_100009993184_100000210326 [0,1,1,0,0,0|2,0,0]=4 2122 B15R1.241 CCCCCSc1cnccc1C(=O)N 62a_100000210326_100010205435 [0,1,1,0,0,0|2,0,0]=4 2123 B15R1.241 CCCCCSc1cnccc1C(=O)N 62a_100010205435_100000210326 [0,1,1,0,0,0|2,0,0]=4 2124 B15R1.241 CCCCCSc1ncccc1C(=O)C 62a_100000210326_100000753718 [0,1,1,0,0,0|2,0,0]=4 2125 B15R1.241 CCCCCSc1ncccc1C(=O)C 62a_100000753718_100000210326 [0,1,1,0,0,0|2,0,0]=4 2126 B15R1.241 CCCCCSc1ncccc1C(=O)N 62a_100000162199_100000210326 [0,1,1,0,0,0|2,0,0]=4 2127 B15R1.241 CCCCCSc1ncccc1C(=O)N 62a_100000210326_100000162199 [0,1,1,0,0,0|2,0,0]=4 2128 B15R1.241 CCCCNCc1ccccc1B(O)O 2230a_100000102301_100009814197 [0,1,1,0,0,0|1,0,1]=4 2129 B15R1.241 CCCCNCc1ccccc1B(O)O 7a_106832991798_100009814197 [0,1,1,0,0,0|1,0,1]=4 2130 B15R1.241 CCCCNCc1ccccc1C(=O)O 269956a_100015183376_100000210211 [0,1,1,0,0,0|0,0,0]=2 2131 B15R1.241 CCCCNCc1ccccc1[N+](=O)[O-] 2230a_100000102301_100000181388 [0,1,1,0,0,0|1,0,1]=4 2132 B15R1.241 CCCCNCc1ccccc1[N+](=O)[O-] 270004a_100000102301_100000186027 [0,1,1,0,0,0|1,0,1]=4 2133 B15R1.241 CCCCNCc1ccccc1[N+](=O)[O-] 7a_106832991798_100000181388 [0,1,1,0,0,0|1,0,1]=4 2134 B15R1.241 CCCCOCc1ccccc1B(O)O 34a_100000210227_100009814197 [0,1,1,0,0,0|1,0,1]=4 2135 B15R1.241 CCCCOCc1ccccc1B(O)O 7a_100000210227_100009814197 [0,1,1,0,0,0|1,0,1]=4 2136 B15R1.241 CCCCOCc1ccccc1[N+](=O)[O-] 34a_100000210227_100000181388 [0,1,1,0,0,0|1,0,1]=4 2137 B15R1.241 CCCCOCc1ccccc1[N+](=O)[O-] 7a_100000210227_100000181388 [0,1,1,0,0,0|1,0,1]=4 2138 B15R1.241 CCCCOCc1ccccc1[N+](=O)[O-] 7a_100011218404_100000210211 [0,1,1,0,0,0|1,0,1]=4 2139 B15R1.241 CCCCSCc1ccccc1B(O)O 62a_100000210211_100009814197 [0,1,1,0,0,0|1,0,1]=4 2140 B15R1.241 CCCCSCc1ccccc1B(O)O 62a_100009814197_100000210210 [0,1,1,0,0,0|1,0,1]=4 2141 B15R1.241 CCCCSCc1ccccc1[N+](=O)[O-] 62a_100000210211_100000181388 [0,1,1,0,0,0|1,0,1]=4 2142 B15R1.241 CCCNCCc1ccccc1[N+](=O)[O-] 2230a_100000723993_100000210303 [0,1,1,0,0,0|1,0,1]=4 2143 B15R1.241 CCCOCCc1ccccc1[N+](=O)[O-] 34a_100000210258_200011934512 [0,1,1,0,0,0|1,0,1]=4 2144 B15R1.241 CCCOCCc1ccccc1[N+](=O)[O-] 34a_100000749287_100000210303 [0,1,1,0,0,0|1,0,1]=4 2145 B15R1.241 CCCOCCc1ccccc1[N+](=O)[O-] 7a_100000749287_100000210303 [0,1,1,0,0,0|1,0,1]=4 2146 B15R1.241 CCNCCOc1ccccc1C(=O)C 2230a_100015525214_100000184561 [0,1,1,0,0,0|2,0,0]=4 2147 B15R1.241 CCOCCCc1ccccc1[N+](=O)[O-] 34a_100000090589_100000210202 [0,1,1,0,0,0|1,0,1]=4 2148 B15R1.241 CCOCCCc1ccccc1[N+](=O)[O-] 7a_100000090589_100000210202 [0,1,1,0,0,0|1,0,1]=4 2149 B15R1.241 CCOCCNc1ccccc1C(=O)N 34a_100000185089_100000210147 [0,1,1,0,0,0|2,0,0]=4 2150 B15R1.241 CCOCCOc1ccccc1C(=O)C 1458a_100000217204_200000210301 [0,1,1,0,0,0|2,0,0]=4 2151 B15R1.241 CCOCCOc1ccccc1C(=O)C 34a_100121572206_100000184561 [0,1,1,0,0,0|2,0,0]=4 2152 B15R1.241 CCOCCOc1ccccc1C(=O)N 34a_100000192804_100000210147 [0,1,1,0,0,0|2,0,0]=4 2153 B15R1.241 CCOCCOc1ccccc1C(=O)N 7a_100000192804_100011215890 [0,1,1,0,0,0|2,0,0]=4 2154 B15R1.241 CCOCCOc1ccccc1C(=O)[13CH3] 1458a_100000217204_200025704644 [0,1,1,0,0,0|2,0,0]=4 2155 B15R1.241 CCOCCOc1ccccc1C(=O)[O-] 7a_100015234032_100011215890 [0,1,1,0,0,0|1,0,1]=4 2156 B15R1.241 CCOCCSc1ccccc1C(=O)C 62a_100000751169_100011215890 [0,1,1,0,0,0|2,0,0]=4 2157 B15R1.241 CCOCCSc1ccccc1C(=O)N 62a_100000162227_100011215890 [0,1,1,0,0,0|2,0,0]=4 2158 B15R1.241 CCOCCSc1ccccc1C(=O)N 62a_100000210147_100000162227 [0,1,1,0,0,0|2,0,0]=4 2159 B15R1.241 CCOCCSc1ccccc1C(=O)O 62a_100000210147_100000734275 [0,1,1,0,0,0|1,0,0]=3 2160 B15R1.241 CCOCCSc1ccccc1C(=O)O 62a_202125556159_100011215890 [0,1,1,0,0,0|1,0,0]=3 2161 B15R1.241 CCOCNCc1ccccc1C(=O)O 269956a_100015183376_100000739092 [0,1,1,0,0,0|1,0,0]=3 2162 B15R1.241 CCSCCNc1ccccc1C(=O)N 34a_100000185089_100000757381 [0,1,1,0,0,0|2,0,0]=4 2163 B15R1.241 CCSCCOc1ccccc1C(=O)C 62a_100000184561_100000210202 [0,1,1,0,0,0|2,0,0]=4 2164 B15R1.241 CCSCCOc1ccccc1C(=O)C 62a_100000210202_100000184561 [0,1,1,0,0,0|2,0,0]=4 2165 B15R1.241 CCSCCOc1ccccc1C(=O)N 34a_100000192804_100000757381 [0,1,1,0,0,0|2,0,0]=4 2166 B15R1.241 CCSCCOc1ccccc1C(=O)N 7a_100000192804_100000757381 [0,1,1,0,0,0|2,0,0]=4 2167 B15R1.241 CCSCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000757381 [0,1,1,0,0,0|1,0,1]=4 2168 B15R1.241 CCSCCSc1ccccc1C(=O)C 62a_100000751169_100000757381 [0,1,1,0,0,0|2,0,0]=4 2169 B15R1.241 CCSCCSc1ccccc1C(=O)N 62a_100000162227_100000757381 [0,1,1,0,0,0|2,0,0]=4 2170 B15R1.241 CCSCCSc1ccccc1C(=O)N 62a_100000757381_100000162227 [0,1,1,0,0,0|2,0,0]=4 2171 B15R1.241 CCSCCSc1ccccc1C(=O)O 62a_100000757381_100000734275 [0,1,1,0,0,0|1,0,0]=3 2172 B15R1.241 CCSCCSc1ccccc1C(=O)O 62a_202125556159_100000757381 [0,1,1,0,0,0|1,0,0]=3 2173 B15R1.241 COCCCNc1ccccc1C(=O)N 34a_100000185089_100000740836 [0,1,1,0,0,0|2,0,0]=4 2174 B15R1.241 COCCCOc1ccccc1C(=O)N 34a_100000192804_100000740836 [0,1,1,0,0,0|2,0,0]=4 2175 B15R1.241 COCCCOc1ccccc1C(=O)N 7a_100000192804_100000740836 [0,1,1,0,0,0|2,0,0]=4 2176 B15R1.241 COCCCOc1ccccc1C(=O)[O-] 7a_100015234032_100000740836 [0,1,1,0,0,0|1,0,1]=4 2177 B15R1.241 COCCCSc1ccccc1C(=O)C 62a_100000751169_100000709357 [0,1,1,0,0,0|2,0,0]=4 2178 B15R1.241 COCCCSc1ccccc1C(=O)N 62a_100000162227_100000709357 [0,1,1,0,0,0|2,0,0]=4 2179 B15R1.241 COCCCSc1ccccc1C(=O)N 62a_100000709357_100000162227 [0,1,1,0,0,0|2,0,0]=4 2180 B15R1.241 COCCCSc1ccccc1C(=O)O 62a_100000709357_100000734275 [0,1,1,0,0,0|1,0,0]=3 2181 B15R1.241 COCCCSc1ccccc1C(=O)O 62a_202125556159_100000709357 [0,1,1,0,0,0|1,0,0]=3 2182 B15R1.241 COCCNCc1ccccc1C(=O)O 269956a_100015183376_100000233755 [0,1,1,0,0,0|1,0,0]=3 2183 B15R1.241 CSCCNCc1ccccc1C(=O)O 269956a_100015183376_100000212216 [0,1,1,0,0,0|1,0,0]=3 2184 B15R1.241 N#CCCCSc1ccccc1C(=O)O 62a_100000687738_100000734275 [0,1,1,0,0,0|1,0,1]=4 2185 B15R1.241 N#CCCCSc1ccccc1C(=O)O 62a_202125556159_100000687738 [0,1,1,0,0,0|1,0,1]=4 2186 B15R1.241 N#CCCNCc1ccccc1C(=O)O 269956a_100015183376_100011215226 [0,1,1,0,0,0|1,0,1]=4 2187 B15R1.241 NC(=O)c1ccccc1NCCCCF 34a_100000185089_100000729493 [0,1,1,0,0,0|2,0,0]=4 2188 B15R1.241 NC(=O)c1ccccc1NCCCCO 34a_100000185089_100011216708 [0,1,1,0,0,0|2,0,0]=4 2189 B15R1.241 NC(=O)c1ccccc1OCCCCF 34a_100000192804_100000729493 [0,1,1,0,0,0|2,0,0]=4 2190 B15R1.241 NC(=O)c1ccccc1OCCCCF 7a_100000192804_100000729493 [0,1,1,0,0,0|2,0,0]=4 2191 B15R1.241 NC(=O)c1ccccc1OCCCCO 34a_100000192804_100011216708 [0,1,1,0,0,0|2,0,0]=4 2192 B15R1.241 NC(=O)c1ccccc1OCCCCO 7a_100000192804_100000210776 [0,1,1,0,0,0|2,0,0]=4 2193 B15R1.241 NC(=O)c1ccccc1SCCCCF 62a_100000162227_100000729493 [0,1,1,0,0,0|2,0,0]=4 2194 B15R1.241 NC(=O)c1ccccc1SCCCCF 62a_100000729493_100000162227 [0,1,1,0,0,0|2,0,0]=4 2195 B15R1.241 NC(=O)c1ccccc1SCCCCO 62a_100000162227_100000210776 [0,1,1,0,0,0|2,0,0]=4 2196 B15R1.241 NC(=O)c1ccccc1SCCCCO 62a_100000210776_100000162227 [0,1,1,0,0,0|2,0,0]=4 2197 B15R1.241 O=C(O)c1ccccc1CNCCCF 269956a_100015183376_100011934791 [0,1,1,0,0,0|1,0,0]=3 2198 B15R1.241 O=C(O)c1ccccc1CNCCCO 269956a_100015183376_100011215043 [0,1,1,0,0,0|1,0,0]=3 2199 B15R1.241 O=C(O)c1ccccc1SCCCCF 62a_100000729493_100000734275 [0,1,1,0,0,0|1,0,0]=3 2200 B15R1.241 O=C(O)c1ccccc1SCCCCF 62a_202125556159_100000729493 [0,1,1,0,0,0|1,0,0]=3 2201 B15R1.241 O=C(O)c1ccccc1SCCCCO 62a_100000210776_100000734275 [0,1,1,0,0,0|1,0,0]=3 2202 B15R1.241 O=C(O)c1ccccc1SCCCCO 62a_202125556159_100000210776 [0,1,1,0,0,0|1,0,0]=3 2203 B15R1.241 O=C([O-])c1ccccc1OCCCCF 7a_100015234032_100000729493 [0,1,1,0,0,0|1,0,1]=4 2204 B15R1.241 O=C([O-])c1ccccc1OCCCCO 7a_100015234032_100000210776 [0,1,1,0,0,0|1,0,1]=4 2205 B15R1.241 O=CCCCSc1ccccc1C(=O)O 62a_200011292268_100000734275 [0,1,1,0,0,0|1,0,1]=4 2206 B15R1.241 O=CCCCSc1ccccc1C(=O)O 62a_202125556159_200011292268 [0,1,1,0,0,0|1,0,1]=4 2207 B15R1.559 CCCCNc1ccc(cc1C(=O)N)Br 27a_100000102301_200000162314 [0,1,1,0,0,0|2,0,0]=4 2208 B15R1.559 CCCCNc1ccc(cc1C(=O)N)Br 34a_100000740421_100000210210 [0,1,1,0,0,0|2,0,0]=4 2209 B15R1.559 CCCCNc1ccc(cc1C(=O)N)Br 7a_100000740421_100000210211 [0,1,1,0,0,0|2,0,0]=4 2210 B15R1.559 CCCCNc1ccc(cc1C(=O)N)C 34a_100011692829_100000210210 [0,1,1,0,0,0|2,0,0]=4 2211 B15R1.559 CCCCNc1ccc(cc1C(=O)N)Cl 34a_100000743835_100000210210 [0,1,1,0,0,0|2,0,0]=4 2212 B15R1.559 CCCCNc1ccc(cc1C(=O)N)Cl 7a_100000743835_100000210211 [0,1,1,0,0,0|2,0,0]=4 2213 B15R1.559 CCCCNc1ccc(cc1C(=O)N)F 34a_100000741173_100000210210 [0,1,1,0,0,0|2,0,0]=4 2214 B15R1.559 CCCCNc1ccc(cc1C(=O)N)F 7a_100000741173_100000210211 [0,1,1,0,0,0|2,0,0]=4 2215 B15R1.559 CCCCOc1ccc(cc1C(=O)C)Br 1458a_200000217315_200000210301 [0,1,1,0,0,0|2,0,0]=4 2216 B15R1.559 CCCCOc1ccc(cc1C(=O)C)Br 34a_100000212127_100000210210 [0,1,1,0,0,0|2,0,0]=4 2217 B15R1.559 CCCCOc1ccc(cc1C(=O)C)Br 7a_100000212127_100000210211 [0,1,1,0,0,0|2,0,0]=4 2218 B15R1.559 CCCCOc1ccc(cc1C(=O)C)C 34a_100000195442_100000210210 [0,1,1,0,0,0|2,0,0]=4 2219 B15R1.559 CCCCOc1ccc(cc1C(=O)C)C 7a_100000195442_100000210211 [0,1,1,0,0,0|2,0,0]=4 2220 B15R1.559 CCCCOc1ccc(cc1C(=O)C)Cl 34a_100000185566_100000210210 [0,1,1,0,0,0|2,0,0]=4 2221 B15R1.559 CCCCOc1ccc(cc1C(=O)C)Cl 7a_100000185566_100000210211 [0,1,1,0,0,0|2,0,0]=4 2222 B15R1.559 CCCCOc1ccc(cc1C(=O)C)F 7a_100000182812_100000210211 [0,1,1,0,0,0|2,0,0]=4 2223 B15R1.559 CCCCOc1ccc(cc1C(=O)C)I 7a_100010712555_100000210211 [0,1,1,0,0,0|2,0,0]=4 2224 B15R1.559 CCCCOc1ccc(cc1C(=O)C)N 34a_100011218865_100000210210 [0,1,1,0,0,0|2,0,0]=4 2225 B15R1.559 CCCCOc1ccc(cc1C(=O)N)Br 34a_100000192807_100000210210 [0,1,1,0,0,0|2,0,0]=4 2226 B15R1.559 CCCCOc1ccc(cc1C(=O)N)Br 7a_100000192807_100000210211 [0,1,1,0,0,0|2,0,0]=4 2227 B15R1.559 CCCCOc1ccc(cc1C(=O)N)C 34a_200000192840_100000210210 [0,1,1,0,0,0|2,0,0]=4 2228 B15R1.559 CCCCOc1ccc(cc1C(=O)N)C 7a_200000192840_100000210211 [0,1,1,0,0,0|2,0,0]=4 2229 B15R1.559 CCCCOc1ccc(cc1C(=O)N)Cl 34a_100000185026_100000210210 [0,1,1,0,0,0|2,0,0]=4 2230 B15R1.559 CCCCOc1ccc(cc1C(=O)N)Cl 7a_100000185026_100000210211 [0,1,1,0,0,0|2,0,0]=4 2231 B15R1.559 CCCCOc1ccc(cc1C(=O)N)F 34a_100012186459_100000210210 [0,1,1,0,0,0|2,0,0]=4 2232 B15R1.559 CCCCOc1ccc(cc1C(=O)N)F 7a_100012186459_100000210211 [0,1,1,0,0,0|2,0,0]=4 2233 B15R1.559 CCCCOc1ccc(cc1C(=O)N)I 34a_100000192813_100000210210 [0,1,1,0,0,0|2,0,0]=4 2234 B15R1.559 CCCCOc1ccc(cc1C(=O)N)I 7a_100000192813_100000210211 [0,1,1,0,0,0|2,0,0]=4 2235 B15R1.559 CCCCOc1ccc(cc1C(=O)[13CH3])Br 1458a_200000217315_200025704644 [0,1,1,0,0,0|2,0,0]=4 2236 B15R1.559 CCCCSc1ccc(cc1C(=O)C)Br 62a_100012349576_100000210210 [0,1,1,0,0,0|2,0,0]=4 2237 B15R1.559 CCCCSc1ccc(cc1C(=O)C)C 62a_100000210211_100012361225 [0,1,1,0,0,0|2,0,0]=4 2238 B15R1.559 CCCCSc1ccc(cc1C(=O)C)C 62a_100012361225_100000210210 [0,1,1,0,0,0|2,0,0]=4 2239 B15R1.559 CCCCSc1ccc(cc1C(=O)C)F 62a_100000210211_100010200798 [0,1,1,0,0,0|2,0,0]=4 2240 B15R1.559 CCCCSc1ccc(cc1C(=O)C)F 62a_100012353695_100000210210 [0,1,1,0,0,0|2,0,0]=4 2241 B15R1.559 CCCCSc1ccc(cc1C(=O)C)N 62a_100012349454_100000210210 [0,1,1,0,0,0|2,0,0]=4 2242 B15R1.559 CCCCSc1ccc(cc1C(=O)N)Br 62a_200000162314_100000210210 [0,1,1,0,0,0|2,0,0]=4 2243 B15R1.559 CCCCSc1ccc(cc1C(=O)N)C 62a_100000210211_200012349609 [0,1,1,0,0,0|2,0,0]=4 2244 B15R1.559 CCCCSc1ccc(cc1C(=O)N)C 62a_200012349609_100000210210 [0,1,1,0,0,0|2,0,0]=4 2245 B15R1.559 CCCCSc1ccc(cc1C(=O)N)F 62a_100000206434_100000210210 [0,1,1,0,0,0|2,0,0]=4 2246 B15R1.559 CCCCSc1ccc(cc1C(=O)N)F 62a_100000210211_100000206434 [0,1,1,0,0,0|2,0,0]=4 2247 B15R1.559 CCCCSc1ccc(cc1C(=O)N)N 62a_100015186447_100000210210 [0,1,1,0,0,0|2,0,0]=4 2248 B15R1.559 CCCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000210210 [0,1,1,0,0,0|1,0,0]=3 2249 B15R1.559 CCOCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000739092 [0,1,1,0,0,0|2,0,0]=4 2250 B15R1.559 COCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000233755 [0,1,1,0,0,0|2,0,0]=4 2251 B15R1.559 CSCCSc1ccc(cc1C(=O)O)Br 62a_100011072988_100000751147 [0,1,1,0,0,0|2,0,0]=4 2252 B15R1.559 O=C(O)c1cc(ccc1SCCCF)Br 62a_100011072988_100011934791 [0,1,1,0,0,0|2,0,0]=4 2253 B15R1.559 O=C(O)c1cc(ccc1SCCCO)Br 62a_100011072988_100011215043 [0,1,1,0,0,0|2,0,0]=4 2254 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)O 62a_100000747405_100000734275 [0,1,1,0,0,0|1,0,1]=4 2255 B15R1.1108 CCC(=O)CSc1ccccc1C(=O)O 62a_202125556159_100000747405 [0,1,1,0,0,0|1,0,1]=4 2256 B15R1.1108 CCC(C)CNc1ccccc1C(=O)N 34a_100000185089_100000748023 [0,1,1,0,0,0|2,0,0]=4 2257 B15R1.1108 CCC(C)COc1ccccc1C(=O)N 34a_100000192804_100000748023 [0,1,1,0,0,0|2,0,0]=4 2258 B15R1.1108 CCC(C)COc1ccccc1C(=O)N 7a_100000192804_100000748023 [0,1,1,0,0,0|2,0,0]=4 2259 B15R1.1108 CCC(C)COc1ccccc1C(=O)[O-] 7a_100015234032_100000748023 [0,1,1,0,0,0|1,0,1]=4 2260 B15R1.1108 CCC(C)CSc1ccccc1C(=O)C 62a_100000751169_100000748023 [0,1,1,0,0,0|2,0,0]=4 2261 B15R1.1108 CCC(C)CSc1ccccc1C(=O)N 62a_100000162227_100000748023 [0,1,1,0,0,0|2,0,0]=4 2262 B15R1.1108 CCC(C)CSc1ccccc1C(=O)N 62a_100000748023_100000162227 [0,1,1,0,0,0|2,0,0]=4 2263 B15R1.1108 CCC(C)CSc1ccccc1C(=O)O 62a_100000748023_100000734275 [0,1,1,0,0,0|1,0,0]=3 2264 B15R1.1108 CCC(C)CSc1ccccc1C(=O)O 62a_202125556159_100000748023 [0,1,1,0,0,0|1,0,0]=3 2265 B15R1.1108 CCC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100000758301 [0,1,1,0,0,0|1,0,0]=3 2266 B15R1.1108 CCC(O)CNc1ccccc1C(=O)N 34a_100000185089_100011218378 [0,1,1,0,0,0|2,0,0]=4 2267 B15R1.1108 CCC(O)COc1ccccc1C(=O)N 34a_100000192804_100011218378 [0,1,1,0,0,0|2,0,0]=4 2268 B15R1.1108 CCC(O)COc1ccccc1C(=O)N 7a_100000192804_100011218378 [0,1,1,0,0,0|2,0,0]=4 2269 B15R1.1108 CCC(O)COc1ccccc1C(=O)[O-] 7a_100015234032_100011218378 [0,1,1,0,0,0|1,0,1]=4 2270 B15R1.1108 CCC(O)CSc1ccccc1C(=O)C 62a_100000751169_100011218378 [0,1,1,0,0,0|2,0,0]=4 2271 B15R1.1108 CCC(O)CSc1ccccc1C(=O)N 62a_100000162227_100011218378 [0,1,1,0,0,0|2,0,0]=4 2272 B15R1.1108 CCC(O)CSc1ccccc1C(=O)N 62a_100011218378_100000162227 [0,1,1,0,0,0|2,0,0]=4 2273 B15R1.1108 CCC(O)CSc1ccccc1C(=O)O 62a_100011218378_100000734275 [0,1,1,0,0,0|1,0,0]=3 2274 B15R1.1108 CCC(O)CSc1ccccc1C(=O)O 62a_202125556159_100011218378 [0,1,1,0,0,0|1,0,0]=3 2275 B15R1.1108 CC[C@H](C)CNc1ccccc1C(=O)N 34a_100000185089_100009816398 [0,1,1,0,0,0|2,0,0]=4 2276 B15R1.1108 CC[C@H](C)COc1ccccc1C(=O)N 34a_100000192804_100009816398 [0,1,1,0,0,0|2,0,0]=4 2277 B15R1.1108 CC[C@H](C)COc1ccccc1C(=O)N 7a_100000192804_100009816398 [0,1,1,0,0,0|2,0,0]=4 2278 B15R1.1108 CC[C@H](C)COc1ccccc1C(=O)[O-] 7a_100015234032_100009816398 [0,1,1,0,0,0|1,0,1]=4 2279 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)C 62a_100000751169_100009816398 [0,1,1,0,0,0|2,0,0]=4 2280 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)N 62a_100000162227_100009816398 [0,1,1,0,0,0|2,0,0]=4 2281 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)N 62a_100009816398_100000162227 [0,1,1,0,0,0|2,0,0]=4 2282 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)O 62a_100009816398_100000734275 [0,1,1,0,0,0|1,0,0]=3 2283 B15R1.1108 CC[C@H](C)CSc1ccccc1C(=O)O 62a_202125556159_100009816398 [0,1,1,0,0,0|1,0,0]=3 2284 B15R1.1108 COC(C)NCc1ccccc1C(=O)O 269956a_100015183376_100009879195 [0,1,1,0,0,0|2,0,0]=4 2285 B15R1.1108 C[C@@H](CO)CSc1ccccc1C(=O)O 62a_100000059175_100000734275 [0,1,1,0,0,0|2,0,0]=4 2286 B15R1.1108 C[C@@H](CO)CSc1ccccc1C(=O)O 62a_202125556159_100000059175 [0,1,1,0,0,0|2,0,0]=4 2287 B15R1.1108 C[C@H](CO)NCc1ccccc1C(=O)O 269956a_100015183376_100016084084 [0,1,1,0,0,0|2,0,0]=4 2288 B15R1.1108 O=C(O)c1ccccc1SCC(O)CO 62a_100011219619_100000734275 [0,1,1,0,0,0|2,0,0]=4 2289 B15R1.1108 O=C(O)c1ccccc1SCC(O)CO 62a_202125556159_100011219619 [0,1,1,0,0,0|2,0,0]=4 2290 B15R1.1108 O=C(O)c1ccccc1SC[C@@H](O)CF 62a_100015614560_100000734275 [0,1,1,0,0,0|2,0,0]=4 2291 B15R1.1108 O=C(O)c1ccccc1SC[C@@H](O)CF 62a_202125556159_100015614560 [0,1,1,0,0,0|2,0,0]=4 2292 B15R1.1108 O=C(O)c1ccccc1SC[C@@H](O)CO 62a_100009815848_100000734275 [0,1,1,0,0,0|2,0,0]=4 2293 B15R1.1108 O=C(O)c1ccccc1SC[C@@H](O)CO 62a_202125556159_100009815848 [0,1,1,0,0,0|2,0,0]=4 2294 B15R1.1159 CCCCNc1cc(ccc1C(=O)C)F 27a_100000102301_100000686192 [0,1,1,0,0,0|2,0,0]=4 2295 B15R1.1159 CCCCNc1cc(ccc1C(=O)N)Br 27a_100000102301_100009815748 [0,1,1,0,0,0|2,0,0]=4 2296 B15R1.1159 CCCCNc1cc(ccc1C(=O)N)Br 7a_100012349972_100000210211 [0,1,1,0,0,0|2,0,0]=4 2297 B15R1.1159 CCCCNc1cc(ccc1C(=O)N)C 34a_100011219537_100000210210 [0,1,1,0,0,0|2,0,0]=4 2298 B15R1.1159 CCCCNc1cc(ccc1C(=O)N)C 7a_100011219537_100000210211 [0,1,1,0,0,0|2,0,0]=4 2299 B15R1.1159 CCCCNc1cc(ccc1C(=O)N)Cl 34a_100000738103_100000210210 [0,1,1,0,0,0|2,0,0]=4 2300 B15R1.1159 CCCCNc1cc(ccc1C(=O)N)Cl 7a_100000738103_100000210211 [0,1,1,0,0,0|2,0,0]=4 2301 B15R1.1159 CCCCNc1cc(ccc1C(=O)N)F 27a_100000102301_100000206404 [0,1,1,0,0,0|2,0,0]=4 2302 B15R1.1159 CCCCNc1cc(ccc1C(=O)N)F 34a_100011298637_100000210210 [0,1,1,0,0,0|2,0,0]=4 2303 B15R1.1159 CCCCOc1cc(ccc1C(=O)C)Br 7a_100000188348_100000210211 [0,1,1,0,0,0|2,0,0]=4 2304 B15R1.1159 CCCCOc1cc(ccc1C(=O)C)C 34a_100000234885_100000210210 [0,1,1,0,0,0|2,0,0]=4 2305 B15R1.1159 CCCCOc1cc(ccc1C(=O)C)C 7a_100000234885_100000210211 [0,1,1,0,0,0|2,0,0]=4 2306 B15R1.1159 CCCCOc1cc(ccc1C(=O)C)Cl 34a_100000061402_100000210210 [0,1,1,0,0,0|2,0,0]=4 2307 B15R1.1159 CCCCOc1cc(ccc1C(=O)C)Cl 7a_100000061402_100000210211 [0,1,1,0,0,0|2,0,0]=4 2308 B15R1.1159 CCCCOc1cc(ccc1C(=O)C)F 7a_100011215782_100000210211 [0,1,1,0,0,0|2,0,0]=4 2309 B15R1.1159 CCCCOc1cc(ccc1C(=O)N)Br 34a_100011550861_100000210210 [0,1,1,0,0,0|2,0,0]=4 2310 B15R1.1159 CCCCOc1cc(ccc1C(=O)N)Br 7a_100011550861_100000210211 [0,1,1,0,0,0|2,0,0]=4 2311 B15R1.1159 CCCCOc1cc(ccc1C(=O)N)C 34a_100000192831_100000210210 [0,1,1,0,0,0|2,0,0]=4 2312 B15R1.1159 CCCCOc1cc(ccc1C(=O)N)C 7a_100000192831_100000210211 [0,1,1,0,0,0|2,0,0]=4 2313 B15R1.1159 CCCCOc1cc(ccc1C(=O)N)Cl 34a_100000192836_100000210210 [0,1,1,0,0,0|2,0,0]=4 2314 B15R1.1159 CCCCOc1cc(ccc1C(=O)N)Cl 7a_100000192836_100000210211 [0,1,1,0,0,0|2,0,0]=4 2315 B15R1.1159 CCCCOc1cc(ccc1C(=O)N)N 34a_100000223280_100000210210 [0,1,1,0,0,0|2,0,0]=4 2316 B15R1.1159 CCCCOc1cc(ccc1C(=O)N)N 7a_100000223280_100000210211 [0,1,1,0,0,0|2,0,0]=4 2317 B15R1.1159 CCCCSc1cc(ccc1C(=O)C)C 62a_100000210211_100012353930 [0,1,1,0,0,0|2,0,0]=4 2318 B15R1.1159 CCCCSc1cc(ccc1C(=O)C)C 62a_100012353930_100000210210 [0,1,1,0,0,0|2,0,0]=4 2319 B15R1.1159 CCCCSc1cc(ccc1C(=O)C)F 62a_100000686192_100000210210 [0,1,1,0,0,0|2,0,0]=4 2320 B15R1.1159 CCCCSc1cc(ccc1C(=O)C)O 62a_100012340537_100000210210 [0,1,1,0,0,0|2,0,0]=4 2321 B15R1.1159 CCCCSc1cc(ccc1C(=O)N)Br 62a_100009815748_100000210210 [0,1,1,0,0,0|2,0,0]=4 2322 B15R1.1159 CCCCSc1cc(ccc1C(=O)N)F 62a_100000206404_100000210210 [0,1,1,0,0,0|2,0,0]=4 2323 B15R1.1159 CCCCSc1cc(ccc1C(=O)N)F 62a_100000210211_100000206404 [0,1,1,0,0,0|2,0,0]=4 2324 B15R1.1191 CCCC=Cc1ccccc1C(=O)OC 271570a_100016258520_100000148710 [0,1,1,0,0,0|0,0,2]=4 2325 B15R1.1191 CCCCNc1ccccc1C(=O)NC 27a_100000102301_100000155073 [0,1,1,0,0,0|2,0,0]=4 2326 B15R1.1191 CCCCNc1ccccc1C(=O)NC 34a_100000185696_100000210210 [0,1,1,0,0,0|2,0,0]=4 2327 B15R1.1191 CCCCNc1ncccc1C(=O)OC 27a_100000102301_100000150852 [0,1,1,0,0,0|2,0,0]=4 2328 B15R1.1191 CCCCOc1ccccc1C(=NO)C 34a_100000164216_100000210210 [0,1,1,0,0,0|2,0,0]=4 2329 B15R1.1191 CCCCOc1ccccc1C(=O)CBr 7a_100000188908_100000210211 [0,1,1,0,0,0|2,0,0]=4 2330 B15R1.1191 CCCCOc1ccccc1C(=O)CC 1458a_100000215687_100000210202 [0,1,1,0,0,0|2,0,0]=4 2331 B15R1.1191 CCCCOc1ccccc1C(=O)CC 7a_100000184720_100000210211 [0,1,1,0,0,0|2,0,0]=4 2332 B15R1.1191 CCCCOc1ccccc1C(=O)CF 1458a_100000215687_100015361967 [0,1,1,0,0,0|2,0,0]=4 2333 B15R1.1191 CCCCOc1ccccc1C(=O)NC 11a_106832991635_100000215687 [0,1,1,0,0,0|2,0,0]=4 2334 B15R1.1191 CCCCOc1ccccc1C(=O)NC 1626a_100102657272_100000215687 [0,1,1,0,0,0|2,0,0]=4 2335 B15R1.1191 CCCCOc1ccccc1C(=O)NC 240690a_100102657272_100000215687 [0,1,1,0,0,0|2,0,0]=4 2336 B15R1.1191 CCCCOc1ccccc1C(=O)NC 34a_100000185920_100000210210 [0,1,1,0,0,0|2,0,0]=4 2337 B15R1.1191 CCCCOc1ccccc1C(=O)NC 527a_100102657272_100000215687 [0,1,1,0,0,0|2,0,0]=4 2338 B15R1.1191 CCCCOc1ccccc1C(=O)NC 7a_100000185920_100000210211 [0,1,1,0,0,0|2,0,0]=4 2339 B15R1.1191 CCCCOc1ccccc1C(=O)NN 34a_100000186518_100000210210 [0,1,1,0,0,0|2,0,0]=4 2340 B15R1.1191 CCCCOc1ccccc1C(=O)NO 34a_100000188472_100000210210 [0,1,1,0,0,0|1,0,0]=3 2341 B15R1.1191 CCCCOc1ccccc1C(=O)OC 7a_100000150335_100000210211 [0,1,1,0,0,0|1,0,0]=3 2342 B15R1.1191 CCCCOc1cccnc1C(=O)OC 34a_100000744052_100000210210 [0,1,1,0,0,0|2,0,0]=4 2343 B15R1.1191 CCCCOc1cccnc1C(=O)OC 7a_100000744052_100000210211 [0,1,1,0,0,0|2,0,0]=4 2344 B15R1.1191 CCCCSc1ccccc1C(=O)CC 1458a_200000217314_100000210202 [0,1,1,0,0,0|2,0,0]=4 2345 B15R1.1191 CCCCSc1ccccc1C(=O)CF 1458a_200000217314_100015361967 [0,1,1,0,0,0|2,0,0]=4 2346 B15R1.1191 CCCCSc1ccccc1C(=O)NC 11a_106832991635_200000217314 [0,1,1,0,0,0|2,0,0]=4 2347 B15R1.1191 CCCCSc1ccccc1C(=O)NC 1626a_100102657272_200000217314 [0,1,1,0,0,0|2,0,0]=4 2348 B15R1.1191 CCCCSc1ccccc1C(=O)NC 240690a_100102657272_200000217314 [0,1,1,0,0,0|2,0,0]=4 2349 B15R1.1191 CCCCSc1ccccc1C(=O)NC 527a_100102657272_200000217314 [0,1,1,0,0,0|2,0,0]=4 2350 B15R1.1191 CCCCSc1ccccc1C(=O)NC 62a_100000155073_100000210210 [0,1,1,0,0,0|2,0,0]=4 2351 B15R1.1191 CCCCSc1ccccc1C(=O)NC 62a_100000210211_100000155073 [0,1,1,0,0,0|2,0,0]=4 2352 B15R1.1191 CCCCSc1ccccc1C(=O)NN 62a_100000190081_100000210210 [0,1,1,0,0,0|2,0,0]=4 2353 B15R1.1191 CCCCSc1ccccc1C(=O)NN 62a_100000210211_100000190081 [0,1,1,0,0,0|2,0,0]=4 2354 B15R1.1191 CCCCSc1ccccc1C(=O)OC 62a_100000148710_100000210210 [0,1,1,0,0,0|1,0,0]=3 2355 B15R1.1191 CCCCSc1ccccc1C(=O)OC 62a_100000210211_100000148710 [0,1,1,0,0,0|1,0,0]=3 2356 B15R1.1191 CCCCSc1ccccc1C(=O)O[Na] 62a_100000210211_114855342371 [0,1,1,0,0,0|1,0,0]=3 2357 B15R1.1191 CCCCSc1cccnc1C(=O)OC 62a_100000210211_100011935214 [0,1,1,0,0,0|2,0,0]=4 2358 B15R1.1191 CCCCSc1cccnc1C(=O)OC 62a_100011935214_100000210210 [0,1,1,0,0,0|2,0,0]=4 2359 B15R1.1191 CCCCSc1ccncc1C(=O)OC 62a_100000210211_100020629055 [0,1,1,0,0,0|2,0,0]=4 2360 B15R1.1191 CCCCSc1ccncc1C(=O)OC 62a_100020629055_100000210210 [0,1,1,0,0,0|2,0,0]=4 2361 B15R1.1191 CCCCSc1cnccc1C(=O)OC 62a_100000210211_100010008606 [0,1,1,0,0,0|2,0,0]=4 2362 B15R1.1191 CCCCSc1cnccc1C(=O)OC 62a_100010008606_100000210210 [0,1,1,0,0,0|2,0,0]=4 2363 B15R1.1191 CCCCSc1ncccc1C(=O)OC 62a_100000210211_100000150852 [0,1,1,0,0,0|2,0,0]=4 2364 B15R1.1191 CCCCSc1ncccc1C(=O)OC 62a_100011587185_100000210210 [0,1,1,0,0,0|2,0,0]=4 2365 B15R1.1191 CCCOCc1ccccc1C(=O)NC 34a_100009855793_100000210303 [0,1,1,0,0,0|2,0,0]=4 2366 B15R1.1191 CCCOCc1ccccc1C(=O)NC 7a_100009855793_100000210303 [0,1,1,0,0,0|2,0,0]=4 2367 B15R1.1191 CCCOCc1ccccc1C(=O)OC 34a_100000210258_100000744672 [0,1,1,0,0,0|1,0,0]=3 2368 B15R1.1191 CCCOCc1cccnc1C(=O)OC 34a_100000210258_100010177730 [0,1,1,0,0,0|2,0,0]=4 2369 B15R1.1191 CCCOCc1ncccc1C(=O)OC 34a_100000210258_100012347567 [0,1,1,0,0,0|2,0,0]=4 2370 B15R1.1191 CCCSCc1ccccc1C(=O)OC 62a_100000210303_100000744672 [0,1,1,0,0,0|1,0,0]=3 2371 B15R1.1191 CCCSCc1ccccc1C(=O)OC 62a_100000744672_100000210303 [0,1,1,0,0,0|1,0,0]=3 2372 B15R1.1191 CCCSCc1cccnc1C(=O)OC 62a_100000210303_100010177730 [0,1,1,0,0,0|2,0,0]=4 2373 B15R1.1191 CCCSCc1cccnc1C(=O)OC 62a_100010177730_100000210303 [0,1,1,0,0,0|2,0,0]=4 2374 B15R1.1191 CCCSCc1ncccc1C(=O)OC 62a_100000210303_100000709840 [0,1,1,0,0,0|2,0,0]=4 2375 B15R1.1191 CCCSCc1ncccc1C(=O)OC 62a_100000709840_100000210303 [0,1,1,0,0,0|2,0,0]=4 2376 B15R1.1191 CCNCCc1ccccc1C(=O)OC 2230a_100015525214_200010284099 [0,1,1,0,0,0|1,0,0]=3 2377 B15R1.1191 CCOCCc1ccccc1C(=O)OC 34a_100121572206_200010284099 [0,1,1,0,0,0|1,0,0]=3 2378 B15R1.1191 CCOCSc1ccccc1C(=O)OC 62a_100000148710_100000739092 [0,1,1,0,0,0|2,0,0]=4 2379 B15R1.1191 CCOCSc1ccccc1C(=O)OC 62a_100000739092_100000148710 [0,1,1,0,0,0|2,0,0]=4 2380 B15R1.1191 CCOCSc1ccccc1C(=O)O[Na] 62a_100000739092_114855342371 [0,1,1,0,0,0|2,0,0]=4 2381 B15R1.1191 CCSCCc1ccccc1C(=O)OC 62a_100000210202_200010284099 [0,1,1,0,0,0|1,0,0]=3 2382 B15R1.1191 CCSCCc1ccccc1C(=O)OC 62a_200010284099_100000210202 [0,1,1,0,0,0|1,0,0]=3 2383 B15R1.1191 COC(=O)c1ccccc1CCSCF 62a_100015361967_200010284099 [0,1,1,0,0,0|2,0,0]=4 2384 B15R1.1191 COC(=O)c1ccccc1CCSCF 62a_200010284099_100015361967 [0,1,1,0,0,0|2,0,0]=4 2385 B15R1.1191 COC(=O)c1ccccc1CNCCF 34a_100000724931_100000744672 [0,1,1,0,0,0|2,0,0]=4 2386 B15R1.1191 COC(=O)c1ccccc1CNCCO 2230a_100016997473_100000744672 [0,1,1,0,0,0|2,0,0]=4 2387 B15R1.1191 COC(=O)c1ccccc1CNCCO 34a_100016990907_100000744672 [0,1,1,0,0,0|2,0,0]=4 2388 B15R1.1191 COC(=O)c1ccccc1COCCBr 34a_100000211926_100000744672 [0,1,1,0,0,0|2,0,0]=4 2389 B15R1.1191 COC(=O)c1ccccc1COCCN 34a_100000210304_100000744672 [0,1,1,0,0,0|2,0,0]=4 2390 B15R1.1191 COC(=O)c1ccccc1CSCCF 62a_100000744672_100011217306 [0,1,1,0,0,0|2,0,0]=4 2391 B15R1.1191 COC(=O)c1ccccc1CSCCF 62a_100011217306_100000744672 [0,1,1,0,0,0|2,0,0]=4 2392 B15R1.1191 COC(=O)c1ccccc1CSCCO 62a_100000211926_100000744672 [0,1,1,0,0,0|2,0,0]=4 2393 B15R1.1191 COC(=O)c1ccccc1CSCCO 62a_100000744672_100000211926 [0,1,1,0,0,0|2,0,0]=4 2394 B15R1.1191 COC(=O)c1ccccc1CSCSC 62a_100000744672_100011218213 [0,1,1,0,0,0|2,0,0]=4 2395 B15R1.1191 COC(=O)c1ccccc1CSCSC 62a_100011218213_100000744672 [0,1,1,0,0,0|2,0,0]=4 2396 B15R1.1191 COC(=O)c1ccccc1OCCCF 7a_100000150335_100011934791 [0,1,1,0,0,0|2,0,0]=4 2397 B15R1.1191 COC(=O)c1ccccc1OCCCO 7a_100000150335_100011215043 [0,1,1,0,0,0|2,0,0]=4 2398 B15R1.1191 COC(=O)c1ccccc1OCCSC 7a_100000150335_100000212216 [0,1,1,0,0,0|2,0,0]=4 2399 B15R1.1191 COC(=O)c1ccccc1SCCCF 62a_100000148710_100011934791 [0,1,1,0,0,0|2,0,0]=4 2400 B15R1.1191 COC(=O)c1ccccc1SCCCF 62a_100011934791_100000148710 [0,1,1,0,0,0|2,0,0]=4 2401 B15R1.1191 COC(=O)c1ccccc1SCCCO 62a_100000148710_100011215043 [0,1,1,0,0,0|2,0,0]=4 2402 B15R1.1191 COC(=O)c1ccccc1SCCCO 62a_100011215043_100000148710 [0,1,1,0,0,0|2,0,0]=4 2403 B15R1.1191 COC(=O)c1ccccc1SCCSC 62a_100000148710_100000751147 [0,1,1,0,0,0|2,0,0]=4 2404 B15R1.1191 COC(=O)c1ccccc1SCCSC 62a_100000212216_100000148710 [0,1,1,0,0,0|2,0,0]=4 2405 B15R1.1191 COCCOc1ccccc1C(=O)NO 34a_100000188472_100011201679 [0,1,1,0,0,0|2,0,0]=4 2406 B15R1.1191 COCCOc1ccccc1C(=O)OC 7a_100000150335_100000233755 [0,1,1,0,0,0|2,0,0]=4 2407 B15R1.1191 COCCSc1ccccc1C(=O)OC 62a_100000148710_100000233755 [0,1,1,0,0,0|2,0,0]=4 2408 B15R1.1191 COCCSc1ccccc1C(=O)OC 62a_100000233755_100000148710 [0,1,1,0,0,0|2,0,0]=4 2409 B15R1.1191 COCCSc1ccccc1C(=O)O[Na] 62a_100000233755_114855342371 [0,1,1,0,0,0|2,0,0]=4 2410 B15R1.1191 COCSCc1ccccc1C(=O)OC 62a_100000744672_100000766300 [0,1,1,0,0,0|2,0,0]=4 2411 B15R1.1191 COCSCc1ccccc1C(=O)OC 62a_100000766300_100000744672 [0,1,1,0,0,0|2,0,0]=4 2412 B15R1.1191 CSCCOc1ccccc1C(=O)NO 34a_100000188472_100000212216 [0,1,1,0,0,0|2,0,0]=4 2413 B15R1.1191 CSCCSc1ccccc1C(=O)O[Na] 62a_100000212216_114855342371 [0,1,1,0,0,0|2,0,0]=4 2414 B15R1.1191 O=C(NO)c1ccccc1OCCCF 34a_100000188472_100011934791 [0,1,1,0,0,0|2,0,0]=4 2415 B15R1.1191 O=C(NO)c1ccccc1OCCCO 34a_100000188472_100000230001 [0,1,1,0,0,0|2,0,0]=4 2416 B15R1.1191 O=C(O[Na])c1ccccc1SCCCF 62a_100011934791_114855342371 [0,1,1,0,0,0|2,0,0]=4 2417 B15R1.1191 O=C(O[Na])c1ccccc1SCCCO 62a_100011215043_114855342371 [0,1,1,0,0,0|2,0,0]=4 2418 B15R1.1239 CCCCC(O)c1ccccc1C(=O)C 1458a_106359897921_200000210301 [0,1,1,0,0,0|1,0,0]=3 2419 B15R1.1239 CCCCC(O)c1ccccc1C(=O)[13CH3] 1458a_106359897921_200025704644 [0,1,1,0,0,0|1,0,0]=3 2420 B15R1.1239 CCCCN(C)c1ccccc1C(=O)N 269982a_100000184419_100000210211 [0,1,1,0,0,0|2,0,0]=4 2421 B15R1.1239 CCCCN(C)c1ccccc1C(=O)O 269956a_100000183030_200000210301 [0,1,1,0,0,0|1,0,0]=3 2422 B15R1.1239 CCCCN([13CH3])c1ccccc1C(=O)O 269956a_100000183030_200025704644 [0,1,1,0,0,0|1,0,0]=3 2423 B15R1.1274 CC(CCO)Sc1ccccc1C(=O)O 62a_100009893172_100000734275 [0,1,1,0,0,0|2,0,0]=4 2424 B15R1.1274 CC(CCO)Sc1ccccc1C(=O)O 62a_202125556159_100009893172 [0,1,1,0,0,0|2,0,0]=4 2425 B15R1.1274 CCCC(C)Nc1ccccc1C(=O)N 34a_100000185089_100000766640 [0,1,1,0,0,0|2,0,0]=4 2426 B15R1.1274 CCCC(C)Oc1ccccc1C(=O)N 34a_100000192804_100000766640 [0,1,1,0,0,0|2,0,0]=4 2427 B15R1.1274 CCCC(C)Oc1ccccc1C(=O)N 7a_100000192804_100000766640 [0,1,1,0,0,0|2,0,0]=4 2428 B15R1.1274 CCCC(C)Oc1ccccc1C(=O)[O-] 7a_100015234032_100000766640 [0,1,1,0,0,0|1,0,1]=4 2429 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)C 62a_100000751169_100000766640 [0,1,1,0,0,0|2,0,0]=4 2430 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)N 62a_100000162227_100000766640 [0,1,1,0,0,0|2,0,0]=4 2431 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)N 62a_100000766640_100000162227 [0,1,1,0,0,0|2,0,0]=4 2432 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)O 62a_100000766640_100000734275 [0,1,1,0,0,0|1,0,0]=3 2433 B15R1.1274 CCCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000766640 [0,1,1,0,0,0|1,0,0]=3 2434 B15R1.1274 COCC(C)Sc1ccccc1C(=O)O 62a_100000765312_100000734275 [0,1,1,0,0,0|2,0,0]=4 2435 B15R1.1274 COCC(C)Sc1ccccc1C(=O)O 62a_202125556159_100000765312 [0,1,1,0,0,0|2,0,0]=4 2436 B15R1.3990 CCCCNc1c(cccc1C(=O)N)C 34a_100000223273_100000210210 [0,1,1,0,0,0|2,0,0]=4 2437 B15R1.3990 CCCCNc1c(cccc1C(=O)N)Cl 34a_200011997947_100000210210 [0,1,1,0,0,0|2,0,0]=4 2438 B15R1.3990 CCCCNc1c(cccc1C(=O)N)F 34a_100011722151_100000210210 [0,1,1,0,0,0|2,0,0]=4 2439 B15R1.3990 CCCCOc1c(cccc1C(=O)C)C 34a_100009847209_100000210210 [0,1,1,0,0,0|2,0,0]=4 2440 B15R1.3990 CCCCOc1c(cccc1C(=O)C)C 7a_100009847209_100000210211 [0,1,1,0,0,0|2,0,0]=4 2441 B15R1.3990 CCCCOc1c(cccc1C(=O)C)Cl 34a_100000043392_100000210210 [0,1,1,0,0,0|2,0,0]=4 2442 B15R1.3990 CCCCOc1c(cccc1C(=O)C)Cl 7a_100000043392_100000210211 [0,1,1,0,0,0|2,0,0]=4 2443 B15R1.3990 CCCCOc1c(cccc1C(=O)C)F 34a_100011246037_100000210210 [0,1,1,0,0,0|2,0,0]=4 2444 B15R1.3990 CCCCOc1c(cccc1C(=O)C)F 7a_100011246037_100000210211 [0,1,1,0,0,0|2,0,0]=4 2445 B15R1.3990 CCCCOc1c(cccc1C(=O)N)Cl 34a_100009868166_100000210210 [0,1,1,0,0,0|2,0,0]=4 2446 B15R1.3990 CCCCOc1c(cccc1C(=O)N)Cl 7a_100009868166_100000210211 [0,1,1,0,0,0|2,0,0]=4 2447 B15R1.3990 CCCCOc1c(cccc1C(=O)N)F 34a_100009886295_100000210210 [0,1,1,0,0,0|2,0,0]=4 2448 B15R1.3990 CCCCOc1c(cccc1C(=O)N)F 7a_100009886295_100000210211 [0,1,1,0,0,0|2,0,0]=4 2449 B15R1.3990 CCCCSc1c(cccc1C(=O)C)F 62a_100000210211_100012362612 [0,1,1,0,0,0|2,0,0]=4 2450 B15R1.3990 CCCCSc1c(cccc1C(=O)C)F 62a_100012362612_100000210210 [0,1,1,0,0,0|2,0,0]=4 2451 B15R1.3990 CCCCSc1c(cccc1C(=O)N)C 62a_100000210211_200011409216 [0,1,1,0,0,0|2,0,0]=4 2452 B15R1.3990 CCCCSc1c(cccc1C(=O)N)C 62a_200011409216_100000210210 [0,1,1,0,0,0|2,0,0]=4 2453 B15R1.3990 CCCCSc1c(cccc1C(=O)N)F 62a_100000210211_200012351544 [0,1,1,0,0,0|2,0,0]=4 2454 B15R1.3990 CCCCSc1c(cccc1C(=O)N)F 62a_200012351544_100000210210 [0,1,1,0,0,0|2,0,0]=4 2455 B15R1.4455 CCCCNc1cccc(c1C(=O)N)C 34a_100102558177_100000210210 [0,1,1,0,0,0|2,0,0]=4 2456 B15R1.4455 CCCCNc1cccc(c1C(=O)N)C 7a_100102558177_100000210211 [0,1,1,0,0,0|2,0,0]=4 2457 B15R1.4455 CCCCNc1cccc(c1C(=O)N)Cl 34a_100000764435_100000210210 [0,1,1,0,0,0|2,0,0]=4 2458 B15R1.4455 CCCCNc1cccc(c1C(=O)N)Cl 7a_100000764435_100000210211 [0,1,1,0,0,0|2,0,0]=4 2459 B15R1.4455 CCCCNc1cccc(c1C(=O)N)F 27a_100000102301_100011219063 [0,1,1,0,0,0|2,0,0]=4 2460 B15R1.4455 CCCCNc1cccc(c1C(=O)N)F 34a_100000036109_100000210210 [0,1,1,0,0,0|2,0,0]=4 2461 B15R1.4455 CCCCNc1cccc(c1C(=O)N)F 7a_100000036109_100000210211 [0,1,1,0,0,0|2,0,0]=4 2462 B15R1.4455 CCCCOc1cccc(c1C(=O)C)Br 34a_100010174959_100000210210 [0,1,1,0,0,0|2,0,0]=4 2463 B15R1.4455 CCCCOc1cccc(c1C(=O)C)Br 7a_100010174959_100000210211 [0,1,1,0,0,0|2,0,0]=4 2464 B15R1.4455 CCCCOc1cccc(c1C(=O)C)C 34a_100009860897_100000210210 [0,1,1,0,0,0|2,0,0]=4 2465 B15R1.4455 CCCCOc1cccc(c1C(=O)C)C 7a_100009860897_100000210211 [0,1,1,0,0,0|2,0,0]=4 2466 B15R1.4455 CCCCOc1cccc(c1C(=O)C)Cl 34a_100000730630_100000210210 [0,1,1,0,0,0|2,0,0]=4 2467 B15R1.4455 CCCCOc1cccc(c1C(=O)C)Cl 7a_100000730630_100000210211 [0,1,1,0,0,0|2,0,0]=4 2468 B15R1.4455 CCCCOc1cccc(c1C(=O)C)F 34a_100011216272_100000210210 [0,1,1,0,0,0|2,0,0]=4 2469 B15R1.4455 CCCCOc1cccc(c1C(=O)C)F 7a_100011216272_100000210211 [0,1,1,0,0,0|2,0,0]=4 2470 B15R1.4455 CCCCOc1cccc(c1C(=O)N)F 34a_100000701607_100000210210 [0,1,1,0,0,0|2,0,0]=4 2471 B15R1.4455 CCCCOc1cccc(c1C(=O)N)F 7a_100000701607_100000210211 [0,1,1,0,0,0|2,0,0]=4 2472 B15R1.4455 CCCCSc1cccc(c1C(=O)C)F 62a_100012351873_100000210210 [0,1,1,0,0,0|2,0,0]=4 2473 B15R1.4455 CCCCSc1cccc(c1C(=O)N)Cl 62a_100010147686_100000210210 [0,1,1,0,0,0|2,0,0]=4 2474 B15R1.4455 CCCCSc1cccc(c1C(=O)N)F 62a_100011219063_100000210210 [0,1,1,0,0,0|2,0,0]=4 2475 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)O 62a_100000730704_100000734275 [0,1,1,0,0,0|1,0,1]=4 2476 B15R1.8882 C=C(C)CCSc1ccccc1C(=O)O 62a_202125556159_100000730704 [0,1,1,0,0,0|1,0,1]=4 2477 B15R1.8882 C=C(C)CNCc1ccccc1C(=O)O 269956a_100015183376_100000748629 [0,1,1,0,0,0|1,0,1]=4 2478 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)O 62a_100000053229_100000734275 [0,1,1,0,0,0|1,0,1]=4 2479 B15R1.8882 CC(=O)CCSc1ccccc1C(=O)O 62a_202125556159_100000053229 [0,1,1,0,0,0|1,0,1]=4 2480 B15R1.8882 CC(=O)c1ccccc1SCCC(C)C 62a_100000751169_100000210312 [0,1,1,0,0,0|2,0,0]=4 2481 B15R1.8882 CC(=O)c1ccccc1SCCC(C)O 62a_100000751169_100012276601 [0,1,1,0,0,0|2,0,0]=4 2482 B15R1.8882 CC(C)CCNc1ccccc1C(=O)N 34a_100000185089_100000210312 [0,1,1,0,0,0|2,0,0]=4 2483 B15R1.8882 CC(C)CCOc1ccccc1C(=O)N 34a_100000192804_100000210312 [0,1,1,0,0,0|2,0,0]=4 2484 B15R1.8882 CC(C)CCOc1ccccc1C(=O)N 7a_100000192804_100000210626 [0,1,1,0,0,0|2,0,0]=4 2485 B15R1.8882 CC(C)CCOc1ccccc1C(=O)[O-] 7a_100015234032_100000210626 [0,1,1,0,0,0|1,0,1]=4 2486 B15R1.8882 CC(C)CCSc1ccccc1C(=O)N 62a_100000162227_100000210312 [0,1,1,0,0,0|2,0,0]=4 2487 B15R1.8882 CC(C)CCSc1ccccc1C(=O)N 62a_100000210312_100000162227 [0,1,1,0,0,0|2,0,0]=4 2488 B15R1.8882 CC(C)CCSc1ccccc1C(=O)O 62a_100000210312_100000734275 [0,1,1,0,0,0|1,0,0]=3 2489 B15R1.8882 CC(C)CCSc1ccccc1C(=O)O 62a_202125556159_100000210312 [0,1,1,0,0,0|1,0,0]=3 2490 B15R1.8882 CC(C)CNCc1ccccc1C(=O)O 269956a_100015183376_100000210760 [0,1,1,0,0,0|1,0,0]=3 2491 B15R1.8882 CC(C)OCSc1ccccc1C(=O)O 62a_100000709892_100000734275 [0,1,1,0,0,0|2,0,0]=4 2492 B15R1.8882 CC(C)OCSc1ccccc1C(=O)O 62a_202125556159_100000709892 [0,1,1,0,0,0|2,0,0]=4 2493 B15R1.8882 CC(O)CCNc1ccccc1C(=O)N 34a_100000185089_100012276601 [0,1,1,0,0,0|2,0,0]=4 2494 B15R1.8882 CC(O)CCOc1ccccc1C(=O)N 34a_100000192804_100012276601 [0,1,1,0,0,0|2,0,0]=4 2495 B15R1.8882 CC(O)CCOc1ccccc1C(=O)N 7a_100000192804_100012276601 [0,1,1,0,0,0|2,0,0]=4 2496 B15R1.8882 CC(O)CCOc1ccccc1C(=O)[O-] 7a_100015234032_100012276601 [0,1,1,0,0,0|1,0,1]=4 2497 B15R1.8882 CC(O)CCSc1ccccc1C(=O)N 62a_100000162227_100012276601 [0,1,1,0,0,0|2,0,0]=4 2498 B15R1.8882 CC(O)CCSc1ccccc1C(=O)N 62a_100012276601_100000162227 [0,1,1,0,0,0|2,0,0]=4 2499 B15R1.8882 CC(O)CCSc1ccccc1C(=O)O 62a_100012276601_100000734275 [0,1,1,0,0,0|1,0,0]=3 2500 B15R1.8882 CC(O)CCSc1ccccc1C(=O)O 62a_202125556159_100012276601 [0,1,1,0,0,0|1,0,0]=3 2501 B15R1.8882 CC(O)CNCc1ccccc1C(=O)O 269956a_100015183376_100011218427 [0,1,1,0,0,0|1,0,0]=3 2502 B15R1.8882 CN(C)CCSc1ccccc1C(=O)O 62a_202125556159_100000755713 [0,1,1,0,0,0|2,0,0]=4 2503 B15R1.8882 C[C@@H](O)CNCc1ccccc1C(=O)O 269956a_100015183376_100009817552 [0,1,1,0,0,0|1,0,0]=3 2504 B15R1.8882 O=C(O)c1ccccc1CNCC(F)F 269956a_100015183376_100011934356 [0,1,1,0,0,0|2,0,0]=4 2505 B15R2.5 CCCCNC1CCc2c1cccc2 2230a_100000102301_200000721974 [1,1,0,0,0,0|1,0,1]=4 2506 B15R2.5 CCCCNC1CCc2c1cccc2 269862a_100000102301_100000212051 [1,1,0,0,0,0|1,0,1]=4 2507 B15R2.5 CCCCNC1COc2c1cccc2 2230a_100000747519_100000210211 [1,1,0,0,0,0|2,0,0]=4 2508 B15R2.5 CCCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210211 [1,1,0,0,0,0|1,0,1]=4 2509 B15R2.5 CCCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210210 [1,1,0,0,0,0|1,0,1]=4 2510 B15R2.5 CCCCOC1CCc2c1cccc2 34a_100000212247_100000210210 [1,1,0,0,0,0|1,0,1]=4 2511 B15R2.5 CCCCOC1CCc2c1cccc2 7a_100000212247_100000210211 [1,1,0,0,0,0|1,0,1]=4 2512 B15R2.5 CCCCSC1CCc2c1cccc2 62a_100000210211_200000721974 [1,1,0,0,0,0|1,0,1]=4 2513 B15R2.5 CCCNCC1CCc2c1cccc2 2230a_100020632452_100000210303 [1,1,0,0,0,0|1,0,1]=4 2514 B15R2.5 CCCNCC1CCc2c1cccc2 34a_100020632452_100000210303 [1,1,0,0,0,0|1,0,1]=4 2515 B15R2.5 CCOCCn1ccc2c1cccc2 34a_100011926976_100000210202 [1,1,0,0,0,0|2,0,0]=4 2516 B15R2.5 CNCCCn1ccc2c1cccc2 34a_100000185030_200000210301 [1,1,0,0,0,0|2,0,0]=4 2517 B15R2.5 [13CH3]NCCCn1ccc2c1cccc2 34a_100000185030_200025704644 [1,1,0,0,0,0|2,0,0]=4 2518 B15R2.73 CCCC(=O)C1C=Cc2c1cccc2 1458a_200009832160_100000210303 [1,1,0,0,0,0|1,0,1]=4 2519 B15R2.1385 CCCCn1ncc2c1ccc(c2)O 271570a_203496583355_200010157577 [1,1,0,0,0,0|2,0,0]=4 2520 B15R2.23388 CCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210414_100010208147 [1,1,0,0,0,0|1,0,1]=4 2521 B15R2.23388 CCN(C)C1CC(=O)c2c1cccc2 2230a_100000225621_100010208147 [1,1,0,0,0,0|2,0,0]=4 2522 B15R2.23388 CCN(C)C1CC(=O)c2c1cccc2 269982a_100000225621_100010208147 [1,1,0,0,0,0|2,0,0]=4 2523 B15R2.23388 CCN(C)C1OC(=O)c2c1cccc2 2230a_100000225621_100009813457 [1,1,0,0,0,0|1,0,0]=3 2524 B15R2.23388 CCN(C)C1OC(=O)c2c1cccc2 269982a_100000225621_100009813457 [1,1,0,0,0,0|1,0,0]=3 2525 B15R2.53147 CC(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_200000210301 [1,1,0,0,0,0|1,0,1]=4 2526 B15R2.53147 CC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_200000210301 [1,1,0,0,0,0|0,0,1]=3 2527 B15R2.53147 CC(C)NC1CC(=O)c2c1cccc2 2230a_100138425928_100010208147 [1,1,0,0,0,0|2,0,0]=4 2528 B15R2.53147 CC(C)NC1OC(=O)c2c1cccc2 2230a_100138425928_100009813457 [1,1,0,0,0,0|1,0,0]=3 2529 B15R2.53147 CC(C)SC1CC(=O)c2c1cccc2 62a_100000210206_100010208147 [1,1,0,0,0,0|2,0,0]=4 2530 B15R2.53147 CC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000210206 [1,1,0,0,0,0|2,0,0]=4 2531 B15R2.53147 CC(C)SC1OC(=O)c2c1cccc2 62a_100000210206_100009813457 [1,1,0,0,0,0|1,0,0]=3 2532 B15R2.53147 [13CH3]C(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_200025704644 [1,1,0,0,0,0|1,0,1]=4 2533 B15R2.53147 [13CH3]C(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_200025704644 [1,1,0,0,0,0|0,0,1]=3 2534 B17R2.12072 CCCCSc1cc(=O)c2ccccc2[nH]1 62a_100000210211_100000090176 [0,1,0,0,0,1|1,0,1]=4 2535 B17R2.12072 CCCCSc1cc2ccccc2c(=O)[nH]1 62a_100000210211_200015811170 [0,1,0,0,0,1|1,0,1]=4 2536 B17R2.56354 CCCCc1nc2ccccc2c(=O)n1C 271570a_100020621405_200000215938 [0,1,0,0,0,1|1,0,1]=4 2537 B17R2.12118 CCCCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000210211 [0,1,0,0,0,1|1,0,0]=3 2538 B17R2.12118 CCCCSc1n[nH]c(=O)c2c1cccc2 62a_100000210211_100010235092 [0,1,0,0,0,1|1,0,1]=4 2539 B17R2.12118 CCCNCc1c[nH]c(=O)c2c1cccc2 270004a_100020643023_100009868339 [0,1,0,0,0,1|1,0,1]=4 2540 B17R2.12118 CCCNN=C1COC(=O)c2c1cccc2 4a_100000740057_200010632819 [0,1,0,0,0,1|1,0,1]=4 2541 B17R2.12118 COCCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000233755 [0,1,0,0,0,1|2,0,0]=4 2542 B17R2.12118 CSCCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000212216 [0,1,0,0,0,1|2,0,0]=4 2543 B17R2.12118 O=C1CCC(c2c1cccc2)OCCCF 7a_100000100557_100011934791 [0,1,0,0,0,1|2,0,0]=4 2544 B17R2.12118 O=C1CCC(c2c1cccc2)OCCCO 7a_100000100557_100011215043 [0,1,0,0,0,1|2,0,0]=4 2545 B17R2.39629 CC(C)COC1CCC(=O)c2c1cccc2 7a_100000100557_100000210760 [0,1,0,0,0,1|2,0,0]=4 2546 B17R2.39629 CC(O)COC1CCC(=O)c2c1cccc2 7a_100000100557_100011218427 [0,1,0,0,0,1|2,0,0]=4 2547 B17R2.39629 C[C@@H](O)COC1CCC(=O)c2c1cccc2 7a_100000100557_100009817552 [0,1,0,0,0,1|2,0,0]=4 2548 B17R2.153014 CCCCc1cn(c(=O)c2c1cccc2)C 271570a_100020621405_100000239302 [0,1,0,0,0,1|1,0,1]=4 2549 B17R2.345884 CCCCc1c[nH]c(=O)c2c1cc(cc2)F 271570a_100020621405_100010191626 [0,1,0,0,0,1|1,0,1]=4 2550 B17R2.345886 CCCCc1ccc(c2c1cccc2)C=O 271570a_100020621405_100012359940 [0,1,0,0,0,1|1,0,1]=4 2551 B17R2.451963 CCC(C)OC1CCC(=O)c2c1cccc2 7a_100000100557_100000758301 [0,1,0,0,0,1|2,0,0]=4 2552 B17R2.12128 CCCCNc1cc(=O)[nH]c2c1cccc2 27a_100000102301_100000075698 [0,1,0,0,0,1|1,0,1]=4 2553 B17R2.12128 CCCCSc1cc(=O)[nH]c2c1cccc2 62a_100000210211_100000075698 [0,1,0,0,0,1|1,0,1]=4 2554 B17R2.19030 C#CCCCOC1CC(=O)c2c1cccc2 7a_100000215630_100010208147 [0,2,0,0,0,0|1,0,1]=4 2555 B17R2.19030 C#CCCCSC1CC(=O)c2c1cccc2 62a_100010208147_100011215417 [0,2,0,0,0,0|1,0,1]=4 2556 B17R2.19030 C#CCCCSC1CC(=O)c2c1cccc2 62a_100011215417_100010208147 [0,2,0,0,0,0|1,0,1]=4 2557 B17R2.19030 C#CCCCSC1OC(=O)c2c1cccc2 62a_100011215417_100009813457 [0,2,0,0,0,0|0,0,1]=3 2558 B17R2.19030 C=CCCCNC1CC(=O)c2c1cccc2 2230a_100000700776_100010208147 [0,2,0,0,0,0|1,0,1]=4 2559 B17R2.19030 C=CCCCNC1OC(=O)c2c1cccc2 2230a_100000700776_100009813457 [0,2,0,0,0,0|0,0,1]=3 2560 B17R2.19030 C=CCCCOC1CC(=O)c2c1cccc2 7a_100000758997_100010208147 [0,2,0,0,0,0|1,0,1]=4 2561 B17R2.19030 C=CCCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000757094 [0,2,0,0,0,0|1,0,1]=4 2562 B17R2.19030 C=CCCCSC1CC(=O)c2c1cccc2 62a_100011713584_100010208147 [0,2,0,0,0,0|1,0,1]=4 2563 B17R2.19030 C=CCCCSC1OC(=O)c2c1cccc2 62a_100011713584_100009813457 [0,2,0,0,0,0|0,0,1]=3 2564 B17R2.19030 C=COCCSC1OC(=O)c2c1cccc2 62a_100000039644_100009813457 [0,2,0,0,0,0|0,0,2]=4 2565 B17R2.19030 CC/C=C\CSC1CC(=O)c2c1cccc2 62a_100010208147_100103147603 [0,2,0,0,0,0|1,0,1]=4 2566 B17R2.19030 CC/C=C\CSC1CC(=O)c2c1cccc2 62a_100103147603_100010208147 [0,2,0,0,0,0|1,0,1]=4 2567 B17R2.19030 CC/C=C\CSC1OC(=O)c2c1cccc2 62a_100103147603_100009813457 [0,2,0,0,0,0|0,0,1]=3 2568 B17R2.19030 CCC#CCSC1CC(=O)c2c1cccc2 62a_100009813939_100010208147 [0,2,0,0,0,0|1,0,1]=4 2569 B17R2.19030 CCC#CCSC1CC(=O)c2c1cccc2 62a_100010208147_100009813939 [0,2,0,0,0,0|1,0,1]=4 2570 B17R2.19030 CCC#CCSC1OC(=O)c2c1cccc2 62a_100009813939_100009813457 [0,2,0,0,0,0|0,0,1]=3 2571 B17R2.19030 CCCCCNC1CC(=O)c2c1cccc2 2230a_100000209983_100010208147 [0,2,0,0,0,0|1,0,0]=3 2572 B17R2.19030 CCCCCNC1OC(=O)c2c1cccc2 2230a_100000209983_100009813457 [0,2,0,0,0,0|0,0,0]=2 2573 B17R2.19030 CCCCCOC1CC(=O)c2c1cccc2 7a_100000210253_100010208147 [0,2,0,0,0,0|1,0,0]=3 2574 B17R2.19030 CCCCCSC1CC(=O)c2c1cccc2 62a_100000210326_100010208147 [0,2,0,0,0,0|1,0,0]=3 2575 B17R2.19030 CCCCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210326 [0,2,0,0,0,0|1,0,0]=3 2576 B17R2.19030 CCCCCSC1OC(=O)c2c1cccc2 62a_100000210326_100009813457 [0,2,0,0,0,0|0,0,0]=2 2577 B17R2.19030 CCOCCNC1CC(=O)c2c1cccc2 2230a_102516460346_100010208147 [0,2,0,0,0,0|1,0,0]=3 2578 B17R2.19030 CCOCCNC1OC(=O)c2c1cccc2 2230a_102516460346_100009813457 [0,2,0,0,0,0|0,0,0]=2 2579 B17R2.19030 CCOCCOC1CC(=O)c2c1cccc2 7a_100000210136_100010208147 [0,2,0,0,0,0|1,0,0]=3 2580 B17R2.19030 CCOCCSC1CC(=O)c2c1cccc2 62a_100000210147_100010208147 [0,2,0,0,0,0|1,0,0]=3 2581 B17R2.19030 CCOCCSC1CC(=O)c2c1cccc2 62a_100010208147_100011215890 [0,2,0,0,0,0|1,0,0]=3 2582 B17R2.19030 CCOCCSC1OC(=O)c2c1cccc2 62a_100000210147_100009813457 [0,2,0,0,0,0|0,0,0]=2 2583 B17R2.19030 CCSCCNC1CC(=O)c2c1cccc2 2230a_100000106463_100010208147 [0,2,0,0,0,0|1,0,0]=3 2584 B17R2.19030 CCSCCNC1OC(=O)c2c1cccc2 2230a_100000106463_100009813457 [0,2,0,0,0,0|0,0,0]=2 2585 B17R2.19030 CCSCCOC1CC(=O)c2c1cccc2 7a_100000212035_100010208147 [0,2,0,0,0,0|1,0,0]=3 2586 B17R2.19030 CCSCCSC1CC(=O)c2c1cccc2 62a_100000757381_100010208147 [0,2,0,0,0,0|1,0,0]=3 2587 B17R2.19030 CCSCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000757381 [0,2,0,0,0,0|1,0,0]=3 2588 B17R2.19030 CCSCCSC1OC(=O)c2c1cccc2 62a_100000757381_100009813457 [0,2,0,0,0,0|0,0,0]=2 2589 B17R2.19030 COCCCSC1CC(=O)c2c1cccc2 62a_100000709357_100010208147 [0,2,0,0,0,0|1,0,0]=3 2590 B17R2.19030 COCCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000709357 [0,2,0,0,0,0|1,0,0]=3 2591 B17R2.19030 COCCCSC1OC(=O)c2c1cccc2 62a_100000709357_100009813457 [0,2,0,0,0,0|0,0,0]=2 2592 B17R2.19030 CSCCCNC1CC(=O)c2c1cccc2 2230a_100000749238_100010208147 [0,2,0,0,0,0|1,0,0]=3 2593 B17R2.19030 CSCCCNC1OC(=O)c2c1cccc2 2230a_100000749238_100009813457 [0,2,0,0,0,0|0,0,0]=2 2594 B17R2.19030 CSCCCOC1CC(=O)c2c1cccc2 7a_100000690336_100010208147 [0,2,0,0,0,0|1,0,0]=3 2595 B17R2.19030 N#CCCCSC1CC(=O)c2c1cccc2 62a_100000687738_100010208147 [0,2,0,0,0,0|1,0,1]=4 2596 B17R2.19030 N#CCCCSC1CC(=O)c2c1cccc2 62a_100010208147_100000687738 [0,2,0,0,0,0|1,0,1]=4 2597 B17R2.19030 N#CCCCSC1OC(=O)c2c1cccc2 62a_100000687738_100009813457 [0,2,0,0,0,0|0,0,1]=3 2598 B17R2.19030 N#CSCCSC1OC(=O)c2c1cccc2 62a_100000034367_100009813457 [0,2,0,0,0,0|1,0,1]=4 2599 B17R2.19030 O=C1CC(c2c1cccc2)NCCCCO 2230a_100000750430_100010208147 [0,2,0,0,0,0|1,0,0]=3 2600 B17R2.19030 O=C1CC(c2c1cccc2)OCCCCCl 7a_100000210776_100010208147 [0,2,0,0,0,0|1,0,0]=3 2601 B17R2.19030 O=C1CC(c2c1cccc2)OCCCCF 7a_100011995726_100010208147 [0,2,0,0,0,0|1,0,0]=3 2602 B17R2.19030 O=C1CC(c2c1cccc2)SCCCCF 62a_100000729493_100010208147 [0,2,0,0,0,0|1,0,0]=3 2603 B17R2.19030 O=C1CC(c2c1cccc2)SCCCCF 62a_100010208147_100000729493 [0,2,0,0,0,0|1,0,0]=3 2604 B17R2.19030 O=C1CC(c2c1cccc2)SCCCCO 62a_100000210776_100010208147 [0,2,0,0,0,0|1,0,0]=3 2605 B17R2.19030 O=C1CC(c2c1cccc2)SCCCCO 62a_100010208147_100000210776 [0,2,0,0,0,0|1,0,0]=3 2606 B17R2.19030 O=C1OC(c2c1cccc2)NCCCCO 2230a_100000750430_100009813457 [0,2,0,0,0,0|0,0,0]=2 2607 B17R2.19030 O=C1OC(c2c1cccc2)SCC#CCO 62a_200000047223_100009813457 [0,2,0,0,0,0|0,0,2]=4 2608 B17R2.19030 O=C1OC(c2c1cccc2)SCCCCF 62a_100000729493_100009813457 [0,2,0,0,0,0|0,0,0]=2 2609 B17R2.19030 O=C1OC(c2c1cccc2)SCCCCO 62a_100000210776_100009813457 [0,2,0,0,0,0|0,0,0]=2 2610 B17R2.19030 O=CCCCSC1CC(=O)c2c1cccc2 62a_100010208147_200011292268 [0,2,0,0,0,0|1,0,1]=4 2611 B17R2.19030 O=CCCCSC1CC(=O)c2c1cccc2 62a_200011292268_100010208147 [0,2,0,0,0,0|1,0,1]=4 2612 B17R2.19030 O=CCCCSC1OC(=O)c2c1cccc2 62a_200011292268_100009813457 [0,2,0,0,0,0|0,0,1]=3 2613 B17R2.49523 C#CCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000184674 [0,2,0,0,0,0|0,0,2]=4 2614 B17R2.49523 C=CCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210623 [0,2,0,0,0,0|0,0,2]=4 2615 B17R2.49523 CC(CC#N)SC1OC(=O)c2c1cccc2 62a_100009813641_100009813457 [0,2,0,0,0,0|1,0,1]=4 2616 B17R2.49523 CC(CCO)SC1CC(=O)c2c1cccc2 62a_100009893172_100010208147 [0,2,0,0,0,0|2,0,0]=4 2617 B17R2.49523 CC(CCO)SC1CC(=O)c2c1cccc2 62a_100010208147_100009893172 [0,2,0,0,0,0|2,0,0]=4 2618 B17R2.49523 CC(CCO)SC1OC(=O)c2c1cccc2 62a_100009893172_100009813457 [0,2,0,0,0,0|1,0,0]=3 2619 B17R2.49523 CCCC(=O)C=C1OC(=O)c2c1cccc2 1458a_200000693922_100000210303 [0,2,0,0,0,0|0,0,2]=4 2620 B17R2.49523 CCCC(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_100000210303 [0,2,0,0,0,0|1,0,0]=3 2621 B17R2.49523 CCCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210303 [0,2,0,0,0,0|0,0,0]=2 2622 B17R2.49523 CCCC(=O)NC1NC(=O)c2c1cccc2 1626a_100016086272_100000211992 [0,2,0,0,0,0|1,0,1]=4 2623 B17R2.49523 CCCC(=O)NC1NC(=O)c2c1cccc2 240690a_100016086272_100000211992 [0,2,0,0,0,0|1,0,1]=4 2624 B17R2.49523 CCCC(=O)NC1NC(=O)c2c1cccc2 527a_100016086272_100000211992 [0,2,0,0,0,0|1,0,1]=4 2625 B17R2.49523 CCCC(C)NC1CC(=O)c2c1cccc2 2230a_100000741246_100010208147 [0,2,0,0,0,0|1,0,0]=3 2626 B17R2.49523 CCCC(C)NC1OC(=O)c2c1cccc2 2230a_100000741246_100009813457 [0,2,0,0,0,0|0,0,0]=2 2627 B17R2.49523 CCCC(C)OC1CC(=O)c2c1cccc2 7a_100000764384_100010208147 [0,2,0,0,0,0|1,0,0]=3 2628 B17R2.49523 CCCC(C)SC1CC(=O)c2c1cccc2 62a_100000766640_100010208147 [0,2,0,0,0,0|1,0,0]=3 2629 B17R2.49523 CCCC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000766640 [0,2,0,0,0,0|1,0,0]=3 2630 B17R2.49523 CCCC(C)SC1OC(=O)c2c1cccc2 62a_100000766640_100009813457 [0,2,0,0,0,0|0,0,0]=2 2631 B17R2.49523 CCNC(=O)CC1NC(=O)c2c1cccc2 11a_100015525214_100000066322 [0,2,0,0,0,0|1,0,1]=4 2632 B17R2.49523 CCNC(=O)CC1NC(=O)c2c1cccc2 240690a_100015525214_100000066322 [0,2,0,0,0,0|1,0,1]=4 2633 B17R2.49523 CCNC(=O)CC1NC(=O)c2c1cccc2 527a_100015525214_100000066322 [0,2,0,0,0,0|1,0,1]=4 2634 B17R2.49523 CCNC(=O)CC1OC(=O)c2c1cccc2 11a_100015525214_100000185305 [0,2,0,0,0,0|0,0,1]=3 2635 B17R2.49523 CCNC(=O)CC1OC(=O)c2c1cccc2 240690a_100015525214_100000185305 [0,2,0,0,0,0|0,0,1]=3 2636 B17R2.49523 CCNC(=O)CC1OC(=O)c2c1cccc2 527a_100015525214_100000185305 [0,2,0,0,0,0|0,0,1]=3 2637 B17R2.49523 CNNC(=O)CC1OC(=O)c2c1cccc2 22a_100016993582_100000185305 [0,2,0,0,0,0|1,0,1]=4 2638 B17R2.49523 COCC(C)SC1CC(=O)c2c1cccc2 62a_100000765312_100010208147 [0,2,0,0,0,0|2,0,0]=4 2639 B17R2.49523 COCC(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000765312 [0,2,0,0,0,0|2,0,0]=4 2640 B17R2.49523 COCC(C)SC1OC(=O)c2c1cccc2 62a_100000765312_100009813457 [0,2,0,0,0,0|1,0,0]=3 2641 B17R2.49523 COC[C@@H](C)NC1CC(=O)c2c1cccc2 2230a_100000764878_100010208147 [0,2,0,0,0,0|2,0,0]=4 2642 B17R2.49523 COC[C@@H](C)NC1OC(=O)c2c1cccc2 2230a_100000764878_100009813457 [0,2,0,0,0,0|1,0,0]=3 2643 B17R2.49523 C[C@@H](CC#N)NC1OC(=O)c2c1cccc2 2230a_100016994482_100009813457 [0,2,0,0,0,0|1,0,1]=4 2644 B17R2.49523 C[C@H](CCO)NC1CC(=O)c2c1cccc2 2230a_100000706166_100010208147 [0,2,0,0,0,0|2,0,0]=4 2645 B17R2.49523 C[C@H](CCO)NC1OC(=O)c2c1cccc2 2230a_100000706166_100009813457 [0,2,0,0,0,0|1,0,0]=3 2646 B17R2.49523 N#CCC(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100011214920 [0,2,0,0,0,0|0,0,2]=4 2647 B17R2.49523 O=C(CCF)CC1NC(=O)c2c1cccc2 1458a_100000066322_100011217306 [0,2,0,0,0,0|1,0,1]=4 2648 B17R2.49523 O=C(CCF)CC1OC(=O)c2c1cccc2 1458a_100000185305_100011217306 [0,2,0,0,0,0|0,0,1]=3 2649 B17R2.49523 O=C(CCO)CC1NC(=O)c2c1cccc2 1458a_100000066322_100000211926 [0,2,0,0,0,0|1,0,1]=4 2650 B17R2.49523 O=C(CCO)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000211926 [0,2,0,0,0,0|0,0,1]=3 2651 B17R2.78537 C=C(C)CCSC1CC(=O)c2c1cccc2 62a_100000730704_100010208147 [0,2,0,0,0,0|1,0,1]=4 2652 B17R2.78537 C=C(C)CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000730704 [0,2,0,0,0,0|1,0,1]=4 2653 B17R2.78537 C=C(C)CCSC1OC(=O)c2c1cccc2 62a_100000730704_100009813457 [0,2,0,0,0,0|0,0,1]=3 2654 B17R2.78537 CC(=CCSC1OC(=O)c2c1cccc2)C 62a_100000761012_100009813457 [0,2,0,0,0,0|0,0,2]=4 2655 B17R2.78537 CC(=O)CCOC1CC(=O)c2c1cccc2 7a_100000759926_100010208147 [0,2,0,0,0,0|1,0,1]=4 2656 B17R2.78537 CC(=O)CCSC1CC(=O)c2c1cccc2 62a_100000053229_100010208147 [0,2,0,0,0,0|1,0,1]=4 2657 B17R2.78537 CC(=O)CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000053229 [0,2,0,0,0,0|1,0,1]=4 2658 B17R2.78537 CC(=O)CCSC1OC(=O)c2c1cccc2 62a_100000053229_100009813457 [0,2,0,0,0,0|0,0,1]=3 2659 B17R2.78537 CC(=O)OCSC1OC(=O)c2c1cccc2 62a_100000076356_100009813457 [0,2,0,0,0,0|1,0,1]=4 2660 B17R2.78537 CC(C)CCOC1CC(=O)c2c1cccc2 7a_100000210254_100010208147 [0,2,0,0,0,0|1,0,0]=3 2661 B17R2.78537 CC(C)CCSC1CC(=O)c2c1cccc2 62a_100000210312_100010208147 [0,2,0,0,0,0|1,0,0]=3 2662 B17R2.78537 CC(C)CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000210312 [0,2,0,0,0,0|1,0,0]=3 2663 B17R2.78537 CC(C)CCSC1OC(=O)c2c1cccc2 62a_100000210312_100009813457 [0,2,0,0,0,0|0,0,0]=2 2664 B17R2.78537 CC(C)OCSC1CC(=O)c2c1cccc2 62a_100000709892_100010208147 [0,2,0,0,0,0|2,0,0]=4 2665 B17R2.78537 CC(C)OCSC1CC(=O)c2c1cccc2 62a_100010208147_100000709892 [0,2,0,0,0,0|2,0,0]=4 2666 B17R2.78537 CC(C)OCSC1OC(=O)c2c1cccc2 62a_100000709892_100009813457 [0,2,0,0,0,0|1,0,0]=3 2667 B17R2.78537 CC(O)CCNC1CC(=O)c2c1cccc2 2230a_200000755665_100010208147 [0,2,0,0,0,0|1,0,0]=3 2668 B17R2.78537 CC(O)CCNC1OC(=O)c2c1cccc2 2230a_200000755665_100009813457 [0,2,0,0,0,0|0,0,0]=2 2669 B17R2.78537 CC(O)CCSC1CC(=O)c2c1cccc2 62a_100010208147_100012276601 [0,2,0,0,0,0|1,0,0]=3 2670 B17R2.78537 CC(O)CCSC1CC(=O)c2c1cccc2 62a_100012276601_100010208147 [0,2,0,0,0,0|1,0,0]=3 2671 B17R2.78537 CC(O)CCSC1OC(=O)c2c1cccc2 62a_100012276601_100009813457 [0,2,0,0,0,0|0,0,0]=2 2672 B17R2.78537 CN(C)CCSC1CC(=O)c2c1cccc2 62a_100010208147_100000755713 [0,2,0,0,0,0|2,0,0]=4 2673 B17R2.78537 NC(=O)CCSC1OC(=O)c2c1cccc2 62a_100000744528_100009813457 [0,2,0,0,0,0|1,0,1]=4 2674 B17R2.87547 C=CC(C)COC1CC(=O)c2c1cccc2 7a_100011215527_100010208147 [0,2,0,0,0,0|2,0,0]=4 2675 B17R2.87547 C=CC(O)CSC1OC(=O)c2c1cccc2 62a_100000730141_100009813457 [0,2,0,0,0,0|0,0,2]=4 2676 B17R2.87547 CCC(=O)CSC1CC(=O)c2c1cccc2 62a_100000747405_100010208147 [0,2,0,0,0,0|1,0,1]=4 2677 B17R2.87547 CCC(=O)CSC1CC(=O)c2c1cccc2 62a_100010208147_100000747405 [0,2,0,0,0,0|1,0,1]=4 2678 B17R2.87547 CCC(=O)CSC1OC(=O)c2c1cccc2 62a_100000747405_100009813457 [0,2,0,0,0,0|0,0,1]=3 2679 B17R2.87547 CCC(C)CNC1CC(=O)c2c1cccc2 2230a_100020588543_100010208147 [0,2,0,0,0,0|1,0,0]=3 2680 B17R2.87547 CCC(C)CNC1OC(=O)c2c1cccc2 2230a_100020588543_100009813457 [0,2,0,0,0,0|0,0,0]=2 2681 B17R2.87547 CCC(C)CSC1CC(=O)c2c1cccc2 62a_100000748023_100010208147 [0,2,0,0,0,0|1,0,0]=3 2682 B17R2.87547 CCC(C)CSC1CC(=O)c2c1cccc2 62a_100010208147_100000748023 [0,2,0,0,0,0|1,0,0]=3 2683 B17R2.87547 CCC(C)CSC1OC(=O)c2c1cccc2 62a_100000748023_100009813457 [0,2,0,0,0,0|0,0,0]=2 2684 B17R2.87547 CCC(O)CNC1CC(=O)c2c1cccc2 2230a_100011218483_100010208147 [0,2,0,0,0,0|1,0,0]=3 2685 B17R2.87547 CCC(O)CNC1OC(=O)c2c1cccc2 2230a_100011218483_100009813457 [0,2,0,0,0,0|0,0,0]=2 2686 B17R2.87547 CCC(O)CSC1CC(=O)c2c1cccc2 62a_100010208147_100011218378 [0,2,0,0,0,0|1,0,0]=3 2687 B17R2.87547 CCC(O)CSC1CC(=O)c2c1cccc2 62a_100011218378_100010208147 [0,2,0,0,0,0|1,0,0]=3 2688 B17R2.87547 CCC(O)CSC1OC(=O)c2c1cccc2 62a_100011218378_100009813457 [0,2,0,0,0,0|0,0,0]=2 2689 B17R2.87547 CC[C@H](C)COC1CC(=O)c2c1cccc2 7a_100009816381_100010208147 [0,2,0,0,0,0|1,0,0]=3 2690 B17R2.87547 CC[C@H](C)CSC1CC(=O)c2c1cccc2 62a_100009816398_100010208147 [0,2,0,0,0,0|1,0,0]=3 2691 B17R2.87547 CC[C@H](C)CSC1CC(=O)c2c1cccc2 62a_100010208147_100009816398 [0,2,0,0,0,0|1,0,0]=3 2692 B17R2.87547 CC[C@H](C)CSC1OC(=O)c2c1cccc2 62a_100009816398_100009813457 [0,2,0,0,0,0|0,0,0]=2 2693 B17R2.87547 CNC(=O)CNC1OC(=O)c2c1cccc2 2230a_100000693194_100009813457 [0,2,0,0,0,0|1,0,1]=4 2694 B17R2.87547 CNC(=O)CSC1OC(=O)c2c1cccc2 62a_100000183359_100009813457 [0,2,0,0,0,0|1,0,1]=4 2695 B17R2.87547 COC(=O)CSC1OC(=O)c2c1cccc2 62a_100000747449_100009813457 [0,2,0,0,0,0|1,0,1]=4 2696 B17R2.87547 CO[C@H](C)CNC1CC(=O)c2c1cccc2 2230a_100020591295_100010208147 [0,2,0,0,0,0|2,0,0]=4 2697 B17R2.87547 CO[C@H](C)CNC1OC(=O)c2c1cccc2 2230a_100020591295_100009813457 [0,2,0,0,0,0|1,0,0]=3 2698 B17R2.87547 C[C@@H](CO)CSC1CC(=O)c2c1cccc2 62a_100000059175_100010208147 [0,2,0,0,0,0|2,0,0]=4 2699 B17R2.87547 C[C@@H](CO)CSC1CC(=O)c2c1cccc2 62a_100010208147_100000059175 [0,2,0,0,0,0|2,0,0]=4 2700 B17R2.87547 C[C@@H](CO)CSC1OC(=O)c2c1cccc2 62a_100000059175_100009813457 [0,2,0,0,0,0|1,0,0]=3 2701 B17R2.87547 O=C1CC(c2c1cccc2)NC[C@H](O)CO 2230a_100020644852_100010208147 [0,2,0,0,0,0|2,0,0]=4 2702 B17R2.87547 O=C1CC(c2c1cccc2)SCC(O)CO 62a_100010208147_100011219619 [0,2,0,0,0,0|2,0,0]=4 2703 B17R2.87547 O=C1CC(c2c1cccc2)SCC(O)CO 62a_100011219619_100010208147 [0,2,0,0,0,0|2,0,0]=4 2704 B17R2.87547 O=C1CC(c2c1cccc2)SC[C@@H](O)CF 62a_100010208147_100015614560 [0,2,0,0,0,0|2,0,0]=4 2705 B17R2.87547 O=C1CC(c2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100010208147 [0,2,0,0,0,0|2,0,0]=4 2706 B17R2.87547 O=C1CC(c2c1cccc2)SC[C@@H](O)CO 62a_100009815848_100010208147 [0,2,0,0,0,0|2,0,0]=4 2707 B17R2.87547 O=C1CC(c2c1cccc2)SC[C@@H](O)CO 62a_100010208147_100009815848 [0,2,0,0,0,0|2,0,0]=4 2708 B17R2.87547 O=C1OC(c2c1cccc2)NC[C@H](O)CO 2230a_100020644852_100009813457 [0,2,0,0,0,0|1,0,0]=3 2709 B17R2.87547 O=C1OC(c2c1cccc2)SCC(O)CO 62a_100011219619_100009813457 [0,2,0,0,0,0|1,0,0]=3 2710 B17R2.87547 O=C1OC(c2c1cccc2)SC[C@@H](O)CF 62a_100015614560_100009813457 [0,2,0,0,0,0|1,0,0]=3 2711 B17R2.87547 O=C1OC(c2c1cccc2)SC[C@@H](O)CO 62a_100009815848_100009813457 [0,2,0,0,0,0|1,0,0]=3 2712 B17R2.159317 C=CCCN(C)C1OC(=O)c2c1cccc2 2230a_100020639649_100009813457 [0,2,0,0,0,0|0,0,2]=4 2713 B17R2.159317 C=CCCN(C)C1OC(=O)c2c1cccc2 269982a_100020639649_100009813457 [0,2,0,0,0,0|0,0,2]=4 2714 B17R2.159317 CCCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000210183_100010208147 [0,2,0,0,0,0|1,0,0]=3 2715 B17R2.159317 CCCCN(C)C1CC(=O)c2c1cccc2 2230a_100000207549_100010208147 [0,2,0,0,0,0|1,0,0]=3 2716 B17R2.159317 CCCCN(C)C1CC(=O)c2c1cccc2 269982a_100000207549_100010208147 [0,2,0,0,0,0|1,0,0]=3 2717 B17R2.159317 CCCCN(C)C1OC(=O)c2c1cccc2 2230a_100000207549_100009813457 [0,2,0,0,0,0|0,0,0]=2 2718 B17R2.159317 CCCCN(C)C1OC(=O)c2c1cccc2 269982a_100000207549_100009813457 [0,2,0,0,0,0|0,0,0]=2 2719 B17R2.159317 CCOCC(=O)C1CC(=O)c2c1cccc2 1458a_100000211967_100010208147 [0,2,0,0,0,0|1,0,1]=4 2720 B17R2.159317 CCSCC(=O)C1CC(=O)c2c1cccc2 1458a_100000230394_100010208147 [0,2,0,0,0,0|1,0,1]=4 2721 B17R2.159317 CN(CCC#N)C1OC(=O)c2c1cccc2 2230a_100000184479_100009813457 [0,2,0,0,0,0|1,0,1]=4 2722 B17R2.159317 CN(CCCO)C1CC(=O)c2c1cccc2 2230a_100000213112_100010208147 [0,2,0,0,0,0|2,0,0]=4 2723 B17R2.159317 CN(CCCO)C1CC(=O)c2c1cccc2 269982a_100000213112_100010208147 [0,2,0,0,0,0|2,0,0]=4 2724 B17R2.159317 CN(CCCO)C1OC(=O)c2c1cccc2 2230a_100000213112_100009813457 [0,2,0,0,0,0|1,0,0]=3 2725 B17R2.159317 CN(CCCO)C1OC(=O)c2c1cccc2 269982a_100000213112_100009813457 [0,2,0,0,0,0|1,0,0]=3 2726 B17R2.159317 COCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000749529_100010208147 [0,2,0,0,0,0|1,0,1]=4 2727 B17R2.159317 COCCN(C)C1CC(=O)c2c1cccc2 2230a_100000743101_100010208147 [0,2,0,0,0,0|2,0,0]=4 2728 B17R2.159317 COCCN(C)C1CC(=O)c2c1cccc2 269982a_100000743101_100010208147 [0,2,0,0,0,0|2,0,0]=4 2729 B17R2.159317 COCCN(C)C1OC(=O)c2c1cccc2 2230a_100000743101_100009813457 [0,2,0,0,0,0|1,0,0]=3 2730 B17R2.159317 COCCN(C)C1OC(=O)c2c1cccc2 269982a_100000743101_100009813457 [0,2,0,0,0,0|1,0,0]=3 2731 B17R2.159317 CSCCC(=O)C1CC(=O)c2c1cccc2 1458a_100000174002_100010208147 [0,2,0,0,0,0|1,0,1]=4 2732 B17R2.159317 CSCCN(C)C1CC(=O)c2c1cccc2 2230a_100000686725_100010208147 [0,2,0,0,0,0|2,0,0]=4 2733 B17R2.159317 CSCCN(C)C1CC(=O)c2c1cccc2 269982a_100000686725_100010208147 [0,2,0,0,0,0|2,0,0]=4 2734 B17R2.159317 CSCCN(C)C1OC(=O)c2c1cccc2 2230a_100000686725_100009813457 [0,2,0,0,0,0|1,0,0]=3 2735 B17R2.159317 CSCCN(C)C1OC(=O)c2c1cccc2 269982a_100000686725_100009813457 [0,2,0,0,0,0|1,0,0]=3 2736 B17R2.35876 CC(C)(CO)NC1OC(=O)c2c1cccc2 2230a_100000210608_100009813457 [0,2,0,0,0,0|2,0,0]=4 2737 B17R2.35876 CCC(C)(C)NC1CC(=O)c2c1cccc2 2230a_100000211385_100010208147 [0,2,0,0,0,0|2,0,0]=4 2738 B17R2.35876 CCC(C)(C)NC1OC(=O)c2c1cccc2 2230a_100000211385_100009813457 [0,2,0,0,0,0|1,0,0]=3 2739 B17R2.35876 CCC(C)(C)OC1CC(=O)c2c1cccc2 7a_100000210230_100010208147 [0,2,0,0,0,0|2,0,0]=4 2740 B17R2.35876 CCC(C)(C)SC1CC(=O)c2c1cccc2 62a_100000032637_100010208147 [0,2,0,0,0,0|2,0,0]=4 2741 B17R2.35876 CCC(C)(C)SC1CC(=O)c2c1cccc2 62a_100010208147_100000032637 [0,2,0,0,0,0|2,0,0]=4 2742 B17R2.35876 CCC(C)(C)SC1OC(=O)c2c1cccc2 62a_100000032637_100009813457 [0,2,0,0,0,0|1,0,0]=3 2743 B17R2.35876 O=C1OC(c2c1cccc2)SC(F)(F)CO 62a_100011217949_100009813457 [0,2,0,0,0,0|2,0,0]=4 2744 B17R2.43624 C#CC(CC)OC1CC(=O)c2c1cccc2 7a_100000758843_100010208147 [0,2,0,0,0,0|2,0,0]=4 2745 B17R2.43624 C=CC(CC)OC1CC(=O)c2c1cccc2 7a_100000766422_100010208147 [0,2,0,0,0,0|2,0,0]=4 2746 B17R2.43624 C=C[C@@H](CO)NC1OC(=O)c2c1cccc2 2230a_100016989147_100009813457 [0,2,0,0,0,0|2,0,0]=4 2747 B17R2.43624 CCC(CC)NC1CC(=O)c2c1cccc2 2230a_100000199018_100010208147 [0,2,0,0,0,0|2,0,0]=4 2748 B17R2.43624 CCC(CC)NC1OC(=O)c2c1cccc2 2230a_100000199018_100009813457 [0,2,0,0,0,0|1,0,0]=3 2749 B17R2.43624 CCC(CC)OC1CC(=O)c2c1cccc2 7a_100000688536_100010208147 [0,2,0,0,0,0|2,0,0]=4 2750 B17R2.43624 CCC(CC)SC1CC(=O)c2c1cccc2 62a_100000210505_100010208147 [0,2,0,0,0,0|2,0,0]=4 2751 B17R2.43624 CCC(CC)SC1CC(=O)c2c1cccc2 62a_100010208147_100000210505 [0,2,0,0,0,0|2,0,0]=4 2752 B17R2.43624 CCC(CC)SC1OC(=O)c2c1cccc2 62a_100000210505_100009813457 [0,2,0,0,0,0|1,0,0]=3 2753 B17R2.43624 CC[C@@H](CO)NC1CC(=O)c2c1cccc2 2230a_100000709445_100010208147 [0,2,0,0,0,0|2,0,0]=4 2754 B17R2.43624 CC[C@@H](CO)NC1OC(=O)c2c1cccc2 2230a_100000709445_100009813457 [0,2,0,0,0,0|1,0,0]=3 2755 B17R2.43624 O=C1OC(c2c1cccc2)NC(CO)CO 2230a_100000759517_100009813457 [0,2,0,0,0,0|2,0,0]=4 2756 B17R2.78536 CC(=O)C(C)SC1OC(=O)c2c1cccc2 62a_100009814033_100009813457 [0,2,0,0,0,0|1,0,1]=4 2757 B17R2.78536 CC(C)C(=O)CC1NC(=O)c2c1cccc2 1458a_100000066322_100000210206 [0,2,0,0,0,0|1,0,1]=4 2758 B17R2.78536 CC(C)C(=O)CC1OC(=O)c2c1cccc2 1458a_100000185305_100000210206 [0,2,0,0,0,0|0,0,1]=3 2759 B17R2.78536 CC(C)C(C)NC1CC(=O)c2c1cccc2 2230a_100000211541_100010208147 [0,2,0,0,0,0|2,0,0]=4 2760 B17R2.78536 CC(C)C(C)NC1OC(=O)c2c1cccc2 2230a_100000211541_100009813457 [0,2,0,0,0,0|1,0,0]=3 2761 B17R2.78536 CC(C)C(C)OC1CC(=O)c2c1cccc2 7a_100000748068_100010208147 [0,2,0,0,0,0|2,0,0]=4 2762 B17R2.78536 CN(C)C(=O)CC1OC(=O)c2c1cccc2 11a_100102631434_100000185305 [0,2,0,0,0,0|1,0,1]=4 2763 B17R2.78536 CN(C)C(=O)CC1OC(=O)c2c1cccc2 1626a_100102631434_100000185305 [0,2,0,0,0,0|1,0,1]=4 2764 B17R2.78536 CN(C)C(=O)CC1OC(=O)c2c1cccc2 240690a_100102631434_100000185305 [0,2,0,0,0,0|1,0,1]=4 2765 B17R2.78536 CN(C)C(=O)CC1OC(=O)c2c1cccc2 527a_100102631434_100000185305 [0,2,0,0,0,0|1,0,1]=4 2766 B17R2.447214 CC(CO)N(C)C1OC(=O)c2c1cccc2 2230a_100000693034_100009813457 [0,2,0,0,0,0|2,0,0]=4 2767 B17R2.447214 CC(CO)N(C)C1OC(=O)c2c1cccc2 269982a_100000693034_100009813457 [0,2,0,0,0,0|2,0,0]=4 2768 B17R2.447214 CCC(C)C(=O)C1CC(=O)c2c1cccc2 1458a_100011192722_100010208147 [0,2,0,0,0,0|1,0,1]=4 2769 B17R2.447214 CCC(C)N(C)C1CC(=O)c2c1cccc2 2230a_100000741768_100010208147 [0,2,0,0,0,0|2,0,0]=4 2770 B17R2.447214 CCC(C)N(C)C1CC(=O)c2c1cccc2 269982a_100000741768_100010208147 [0,2,0,0,0,0|2,0,0]=4 2771 B17R2.447214 CCC(C)N(C)C1OC(=O)c2c1cccc2 2230a_100000741768_100009813457 [0,2,0,0,0,0|1,0,0]=3 2772 B17R2.447214 CCC(C)N(C)C1OC(=O)c2c1cccc2 269982a_100000741768_100009813457 [0,2,0,0,0,0|1,0,0]=3 2773 B17R2.447214 CCC(O)C(=O)C1CC(=O)c2c1cccc2 1458a_100011196387_100010208147 [0,2,0,0,0,0|1,0,1]=4 2774 B17R2.78535 C=C(C)CN(C)C1OC(=O)c2c1cccc2 2230a_100000225649_100009813457 [0,2,0,0,0,0|1,0,1]=4 2775 B17R2.78535 C=C(C)CN(C)C1OC(=O)c2c1cccc2 269982a_100000225649_100009813457 [0,2,0,0,0,0|1,0,1]=4 2776 B17R2.78535 CC(C)CC(=O)C1CC(=O)c2c1cccc2 1458a_100000210554_100010208147 [0,2,0,0,0,0|1,0,1]=4 2777 B17R2.78535 CC(C)CN(C)C1CC(=O)c2c1cccc2 2230a_100000747067_100010208147 [0,2,0,0,0,0|2,0,0]=4 2778 B17R2.78535 CC(C)CN(C)C1CC(=O)c2c1cccc2 269982a_100000747067_100010208147 [0,2,0,0,0,0|2,0,0]=4 2779 B17R2.78535 CC(C)CN(C)C1OC(=O)c2c1cccc2 2230a_100000747067_100009813457 [0,2,0,0,0,0|1,0,0]=3 2780 B17R2.78535 CC(C)CN(C)C1OC(=O)c2c1cccc2 269982a_100000747067_100009813457 [0,2,0,0,0,0|1,0,0]=3 2781 B17R2.78535 CC(O)CN(C)C1CC(=O)c2c1cccc2 2230a_100000227577_100010208147 [0,2,0,0,0,0|2,0,0]=4 2782 B17R2.78535 CC(O)CN(C)C1CC(=O)c2c1cccc2 269982a_100000227577_100010208147 [0,2,0,0,0,0|2,0,0]=4 2783 B17R2.78535 CC(O)CN(C)C1OC(=O)c2c1cccc2 2230a_100000227577_100009813457 [0,2,0,0,0,0|1,0,0]=3 2784 B17R2.78535 CC(O)CN(C)C1OC(=O)c2c1cccc2 269982a_100000227577_100009813457 [0,2,0,0,0,0|1,0,0]=3 2785 B17R2.78535 C[C@@H](O)CC(=O)C1CC(=O)c2c1cccc2 1458a_100011933948_100010208147 [0,2,0,0,0,0|1,0,1]=4 2786 B17R2.814993 CC(C)(C)CNC1CC(=O)c2c1cccc2 2230a_100000743828_100010208147 [0,2,0,0,0,0|2,0,0]=4 2787 B17R2.814993 CC(C)(C)CNC1OC(=O)c2c1cccc2 2230a_100000743828_100009813457 [0,2,0,0,0,0|1,0,0]=3 2788 B17R2.814993 CC(C)(C)CSC1CC(=O)c2c1cccc2 62a_100010208147_100011219605 [0,2,0,0,0,0|2,0,0]=4 2789 B17R2.814993 CC(C)(C)CSC1CC(=O)c2c1cccc2 62a_100011219605_100010208147 [0,2,0,0,0,0|2,0,0]=4 2790 B17R2.814993 CC(C)(C)CSC1OC(=O)c2c1cccc2 62a_100011219605_100009813457 [0,2,0,0,0,0|1,0,0]=3 2791 B17R2.814993 CC(C)(F)CNC1CC(=O)c2c1cccc2 2230a_100020643315_100010208147 [0,2,0,0,0,0|2,0,0]=4 2792 B17R2.814993 CC(C)(F)CNC1OC(=O)c2c1cccc2 2230a_100020643315_100009813457 [0,2,0,0,0,0|1,0,0]=3 2793 B17R2.814993 CC(C)(F)CSC1CC(=O)c2c1cccc2 62a_100010208147_100011997219 [0,2,0,0,0,0|2,0,0]=4 2794 B17R2.814993 CC(C)(F)CSC1CC(=O)c2c1cccc2 62a_100011997219_100010208147 [0,2,0,0,0,0|2,0,0]=4 2795 B17R2.814993 CC(C)(F)CSC1OC(=O)c2c1cccc2 62a_100011997219_100009813457 [0,2,0,0,0,0|1,0,0]=3 2796 B17R2.814993 CC(C)(O)CNC1CC(=O)c2c1cccc2 2230a_100000751335_100010208147 [0,2,0,0,0,0|2,0,0]=4 2797 B17R2.814993 CC(C)(O)CNC1OC(=O)c2c1cccc2 2230a_100000751335_100009813457 [0,2,0,0,0,0|1,0,0]=3 2798 B17R2.814993 CC(C)(O)CSC1CC(=O)c2c1cccc2 62a_100000764493_100010208147 [0,2,0,0,0,0|2,0,0]=4 2799 B17R2.814993 CC(C)(O)CSC1CC(=O)c2c1cccc2 62a_100010208147_100000764493 [0,2,0,0,0,0|2,0,0]=4 2800 B17R2.814993 CC(C)(O)CSC1OC(=O)c2c1cccc2 62a_100000764493_100009813457 [0,2,0,0,0,0|1,0,0]=3 2801 B17R2.814993 C[N+](C)(C)CSC1OC(=O)c2c1cccc2 62a_200000036245_100009813457 [0,2,0,0,0,0|2,0,0]=4 2802 B17R2.814993 C[Si](C)(C)CSC1OC(=O)c2c1cccc2 62a_100000037933_100009813457 [0,2,0,0,0,0|1,1,0]=4 2803 B17R2.814993 O=C1OC(c2c1cccc2)SCC(F)(F)F 62a_100000763148_100009813457 [0,2,0,0,0,0|2,0,0]=4 2804 B17R2.445734 CCCN(CC)C1CC(=O)c2c1cccc2 2230a_100000226822_100010208147 [0,2,0,0,0,0|2,0,0]=4 2805 B17R2.445734 CCCN(CC)C1CC(=O)c2c1cccc2 269982a_100000226822_100010208147 [0,2,0,0,0,0|2,0,0]=4 2806 B17R2.445734 CCCN(CC)C1OC(=O)c2c1cccc2 2230a_100000226822_100009813457 [0,2,0,0,0,0|1,0,0]=3 2807 B17R2.445734 CCCN(CC)C1OC(=O)c2c1cccc2 269982a_100000226822_100009813457 [0,2,0,0,0,0|1,0,0]=3 2808 B17R2.445734 CCN(CCO)C1OC(=O)c2c1cccc2 2230a_100000210973_100009813457 [0,2,0,0,0,0|2,0,0]=4 2809 B17R2.445734 CCN(CCO)C1OC(=O)c2c1cccc2 269982a_100000210973_100009813457 [0,2,0,0,0,0|2,0,0]=4 2810 B15R2.395 CC1SCCN1C(=O)c2ccccc2 11a_200011216479_100000185807 [0,0,1,1,0,0|2,0,0]=4 2811 B15R2.395 CC1SCCN1C(=O)c2ccccc2 1626a_200011216479_100000185807 [0,0,1,1,0,0|2,0,0]=4 2812 B15R2.395 CC1SCCN1C(=O)c2ccccc2 240690a_200011216479_100000185807 [0,0,1,1,0,0|2,0,0]=4 2813 B15R2.395 CC1SCCN1C(=O)c2ccccc2 527a_200011216479_100000185807 [0,0,1,1,0,0|2,0,0]=4 2814 B15R2.395 C[C@@H]1CCCN1C(=O)c2ccccc2 11a_100015189458_100000185807 [0,0,1,1,0,0|1,0,0]=3 2815 B15R2.395 C[C@@H]1CCCN1C(=O)c2ccccc2 240690a_100015189458_100000185807 [0,0,1,1,0,0|1,0,0]=3 2816 B15R2.395 C[C@@H]1CCCN1C(=O)c2ccccc2 527a_100015189458_100000185807 [0,0,1,1,0,0|1,0,0]=3 2817 B15R2.395 C[C@H]1CCCN1C(=O)c2ccccc2 240690a_100020605311_100000185807 [0,0,1,1,0,0|1,0,0]=3 2818 B15R2.395 C[C@H]1CCCN1C(=O)c2ccccc2 527a_100020605311_100000185807 [0,0,1,1,0,0|1,0,0]=3 2819 B15R2.1040 CC(OCC1CC1C)c2ccccc2 34a_100000744939_100000211855 [0,0,1,1,0,0|1,0,1]=4 2820 B15R2.1040 CC(OCC1CC1C)c2ccccc2 7a_100000744939_100000230085 [0,0,1,1,0,0|1,0,1]=4 2821 B15R2.1130 CC1CCN1CC(=O)c2ccccc2 269982a_100000755817_100000211460 [0,0,1,1,0,0|2,0,0]=4 2822 B15R2.1259 CC(OC1CCCC1)c2ccccc2 34a_100000210269_100000211855 [0,0,1,1,0,0|1,0,1]=4 2823 B15R2.1259 CC(OC1CCCC1)c2ccccc2 7a_100000210269_100000230085 [0,0,1,1,0,0|1,0,1]=4 2824 B15R2.1259 C[C@@H](OC1CCCC1)c2ccccc2 34a_100000761318_100000179811 [0,0,1,1,0,0|1,0,1]=4 2825 B15R2.1259 C[C@@H](OC1CCCC1)c2ccccc2 7a_100000761318_100000179811 [0,0,1,1,0,0|1,0,1]=4 2826 B15R2.1259 O=C(CC1CCCC1)c2ccccc2 1458a_100000185807_100000740388 [0,0,1,1,0,0|1,0,0]=3 2827 B15R2.1259 O=C(CC1CCCO1)c2ccccc2 1458a_100000185807_100000203698 [0,0,1,1,0,0|2,0,0]=4 2828 B15R2.1259 O=C(CC1CCOC1)c2ccccc2 1458a_100000185807_100000702531 [0,0,1,1,0,0|2,0,0]=4 2829 B15R2.1259 O=C(CN1CCCC1)c2ccccc2 269982a_100000188435_100000211460 [0,0,1,1,0,0|2,0,0]=4 2830 B15R2.1259 O=C(NC1CCCC1)c2ccccc2 11a_100000211070_100000185807 [0,0,1,1,0,0|1,0,0]=3 2831 B15R2.1259 O=C(NC1CCCC1)c2ccccc2 1626a_100000211070_100000185807 [0,0,1,1,0,0|1,0,0]=3 2832 B15R2.1259 O=C(NC1CCCC1)c2ccccc2 240690a_100000211070_100000185807 [0,0,1,1,0,0|1,0,0]=3 2833 B15R2.1259 O=C(NC1CCCC1)c2ccccc2 527a_100000211070_100000185807 [0,0,1,1,0,0|1,0,0]=3 2834 B15R2.1259 O=C(N[C@@H]1CCOC1)c2ccccc2 240690a_200015188469_100000185807 [0,0,1,1,0,0|2,0,0]=4 2835 B15R2.1259 O=C(N[C@@H]1CCOC1)c2ccccc2 527a_200015188469_100000185807 [0,0,1,1,0,0|2,0,0]=4 2836 B15R2.1259 O=C(N[C@H]1CCOC1)c2ccccc2 11a_100015188467_100000185807 [0,0,1,1,0,0|2,0,0]=4 2837 B15R2.1259 O=C(N[C@H]1CCOC1)c2ccccc2 1626a_100015188467_100000185807 [0,0,1,1,0,0|2,0,0]=4 2838 B15R2.1259 O=C(N[C@H]1CCOC1)c2ccccc2 240690a_100015188467_100000185807 [0,0,1,1,0,0|2,0,0]=4 2839 B15R2.1259 O=C(N[C@H]1CCOC1)c2ccccc2 527a_100015188467_100000185807 [0,0,1,1,0,0|2,0,0]=4 2840 B15R2.2226 O=C(c1ccccc1)C2CCCCC2 1458a_100000185807_100000210327 [0,0,1,1,0,0|1,0,0]=3 2841 B15R2.2226 O=C(c1ccccc1)C2CCCOC2 1458a_100000185807_100000693364 [0,0,1,1,0,0|2,0,0]=4 2842 B15R2.2226 O=C(c1ccccc1)C2CCOCC2 1458a_100000185807_100011324220 [0,0,1,1,0,0|2,0,0]=4 2843 B15R2.2226 O=C(c1ccccc1)N2CCCOC2 11a_100000131196_100000185807 [0,0,1,1,0,0|2,0,0]=4 2844 B15R2.2226 O=C(c1ccccc1)N2CCCOC2 240690a_100000131196_100000185807 [0,0,1,1,0,0|2,0,0]=4 2845 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 11a_100015191051_100000185807 [0,0,1,1,0,0|2,0,0]=4 2846 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 1626a_100015191051_100000185807 [0,0,1,1,0,0|2,0,0]=4 2847 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 240690a_100015191051_100000185807 [0,0,1,1,0,0|2,0,0]=4 2848 B15R2.2226 O=C(c1ccccc1)N2CCOCC2 527a_100015191051_100000185807 [0,0,1,1,0,0|2,0,0]=4 2849 B15R2.2226 O=C(c1ccccc1)N2CCSCC2 11a_100000737611_100000185807 [0,0,1,1,0,0|2,0,0]=4 2850 B15R2.2226 O=C(c1ccccc1)N2CCSCC2 240690a_100000737611_100000185807 [0,0,1,1,0,0|2,0,0]=4 2851 B15R2.2226 O=C(c1ccccc1)N2CCSCC2 527a_100000737611_100000185807 [0,0,1,1,0,0|2,0,0]=4 2852 B15R2.4382 CCOC1CCC(=O)c2c1cccc2 7a_100000100557_100000210202 [0,0,1,1,0,0|2,0,0]=4 2853 B15R2.16439 CC(OCC1CCC1)c2ccccc2 34a_100000760304_100000211855 [0,0,1,1,0,0|1,0,1]=4 2854 B15R2.16439 C[C@@H](OCC1CCC1)c2ccccc2 34a_100000761318_100000763275 [0,0,1,1,0,0|1,0,1]=4 2855 B15R2.16439 C[C@@H](OCC1CCC1)c2ccccc2 7a_100000761318_100000763275 [0,0,1,1,0,0|1,0,1]=4 2856 B15R2.16439 O=C(CCN1CCC1)c2ccccc2 269982a_100000754969_100000750707 [0,0,1,1,0,0|2,0,0]=4 2857 B15R2.16439 O=C(CSC1CCC1)c2ccccc2 62a_100000211460_100000749161 [0,0,1,1,0,0|2,0,0]=4 2858 B15R2.16439 O=C(NCC1CCC1)c2ccccc2 11a_100000738700_100000185807 [0,0,1,1,0,0|1,0,0]=3 2859 B15R2.16439 O=C(NCC1CCC1)c2ccccc2 1626a_100000738700_100000185807 [0,0,1,1,0,0|1,0,0]=3 2860 B15R2.16439 O=C(NCC1CCC1)c2ccccc2 240690a_100000738700_100000185807 [0,0,1,1,0,0|1,0,0]=3 2861 B15R2.16439 O=C(NCC1CCC1)c2ccccc2 527a_100000738700_100000185807 [0,0,1,1,0,0|1,0,0]=3 2862 B15R2.16439 O=C(NCC1COC1)c2ccccc2 11a_100015281925_100000185807 [0,0,1,1,0,0|2,0,0]=4 2863 B15R2.16439 O=C(NCC1COC1)c2ccccc2 1626a_100015281925_100000185807 [0,0,1,1,0,0|2,0,0]=4 2864 B15R2.16439 O=C(NCC1COC1)c2ccccc2 240690a_100015281925_100000185807 [0,0,1,1,0,0|2,0,0]=4 2865 B15R2.16439 O=C(NCC1COC1)c2ccccc2 527a_100015281925_100000185807 [0,0,1,1,0,0|2,0,0]=4 2866 B15R2.16439 O=C(NC[C@@H]1CCO1)c2ccccc2 11a_100020831831_100000185807 [0,0,1,1,0,0|2,0,0]=4 2867 B15R2.16439 O=C(NC[C@@H]1CCO1)c2ccccc2 1626a_100020831831_100000185807 [0,0,1,1,0,0|2,0,0]=4 2868 B15R2.16439 O=C(NC[C@@H]1CCO1)c2ccccc2 240690a_100020831831_100000185807 [0,0,1,1,0,0|2,0,0]=4 2869 B15R2.16439 O=C(NC[C@@H]1CCO1)c2ccccc2 527a_100020831831_100000185807 [0,0,1,1,0,0|2,0,0]=4 2870 B15R2.16439 O=C(NNC1CCC1)c2ccccc2 22a_100000736358_100000185807 [0,0,1,1,0,0|2,0,0]=4 2871 B15R2.16439 O=C(OCN1CCC1)c2ccccc2 269982a_100000754969_100000073877 [0,0,1,1,0,0|1,0,0]=3 2872 B15R2.16442 CC(OCCC1CC1)c2ccccc2 34a_100000754188_100000211855 [0,0,1,1,0,0|1,0,1]=4 2873 B15R2.16442 CC(OCCC1CC1)c2ccccc2 7a_100000754188_100000230085 [0,0,1,1,0,0|1,0,1]=4 2874 B15R2.16442 C[C@@H](OCCC1CC1)c2ccccc2 34a_100000761318_100000694398 [0,0,1,1,0,0|1,0,1]=4 2875 B15R2.16442 C[C@@H](OCCC1CC1)c2ccccc2 7a_100000761318_100000764125 [0,0,1,1,0,0|1,0,1]=4 2876 B15R2.16442 O=C(CCCC1CO1)c2ccccc2 1458a_100000185807_100000733510 [0,0,1,1,0,0|2,0,0]=4 2877 B15R2.16442 O=C(CCSC1CC1)c2ccccc2 62a_100000750707_100000211595 [0,0,1,1,0,0|2,0,0]=4 2878 B15R2.16442 O=C(CSCC1CC1)c2ccccc2 62a_100000211460_100000742324 [0,0,1,1,0,0|2,0,0]=4 2879 B15R2.16442 O=C(CSCC1CC1)c2ccccc2 62a_100000756562_100000211460 [0,0,1,1,0,0|2,0,0]=4 2880 B15R2.16442 O=C(NCCC1CC1)c2ccccc2 1626a_100000764129_100000185807 [0,0,1,1,0,0|1,0,0]=3 2881 B15R2.16442 O=C(NCCC1CC1)c2ccccc2 240690a_100000764129_100000185807 [0,0,1,1,0,0|1,0,0]=3 2882 B15R2.16442 O=C(NCCC1CC1)c2ccccc2 527a_100000764129_100000185807 [0,0,1,1,0,0|1,0,0]=3 2883 B15R2.16442 O=C(NNCC1CC1)c2ccccc2 22a_100000736359_100000185807 [0,0,1,1,0,0|2,0,0]=4 2884 B15R2.16442 O=C(OCSC1CC1)c2ccccc2 62a_100000073877_100000211595 [0,0,1,1,0,0|1,0,0]=3 2885 B15R2.71393 CCCCCOC1Cc2c1cccc2 7a_100000210253_100009813401 [0,0,1,1,0,0|1,0,1]=4 2886 B15R2.1221 CC(=O)c1ccccc1N2CCCC2 1458a_100025719298_200000210301 [0,0,1,1,0,0|2,0,0]=4 2887 B15R2.1221 [13CH3]C(=O)c1ccccc1N2CCCC2 1458a_100025719298_200025704644 [0,0,1,1,0,0|2,0,0]=4 2888 B15R2.16319 CC(=O)c1ccccc1OCC2CC2 1458a_100000748903_200000210301 [0,0,1,1,0,0|2,0,0]=4 2889 B15R2.16319 CC(=O)c1ccccc1SCC2CC2 62a_100000751169_100000742324 [0,0,1,1,0,0|2,0,0]=4 2890 B15R2.16319 NC(=O)c1ccccc1NCC2CC2 34a_100000185089_100000742324 [0,0,1,1,0,0|2,0,0]=4 2891 B15R2.16319 NC(=O)c1ccccc1OCC2CC2 34a_100000192804_100000742324 [0,0,1,1,0,0|2,0,0]=4 2892 B15R2.16319 NC(=O)c1ccccc1OCC2CC2 7a_100000192804_100000742324 [0,0,1,1,0,0|2,0,0]=4 2893 B15R2.16319 NC(=O)c1ccccc1SCC2CC2 62a_100000162227_100000742324 [0,0,1,1,0,0|2,0,0]=4 2894 B15R2.16319 NC(=O)c1ccccc1SCC2CC2 62a_100000756562_100000162227 [0,0,1,1,0,0|2,0,0]=4 2895 B15R2.16319 O=C(O)c1ccccc1CNC2CC2 269956a_100015183376_100000211595 [0,0,1,1,0,0|1,0,0]=3 2896 B15R2.16319 O=C(O)c1ccccc1SCC2CC2 62a_100000756562_100000734275 [0,0,1,1,0,0|1,0,0]=3 2897 B15R2.16319 O=C(O)c1ccccc1SCC2CC2 62a_202125556159_100000742324 [0,0,1,1,0,0|1,0,0]=3 2898 B15R2.16319 O=C(O)c1ccccc1SCC2CO2 62a_102125554688_100000734275 [0,0,1,1,0,0|2,0,0]=4 2899 B15R2.16319 O=C(O)c1ccccc1SCC2CO2 62a_202125556159_102125554688 [0,0,1,1,0,0|2,0,0]=4 2900 B15R2.16319 O=C(O)c1ccccc1SCC2CS2 62a_100000031435_100000734275 [0,0,1,1,0,0|2,0,0]=4 2901 B15R2.16319 O=C(O)c1ccccc1SCC2CS2 62a_202125556159_100000031435 [0,0,1,1,0,0|2,0,0]=4 2902 B15R2.16319 O=C(O)c1ccccc1SC[C@@H]2CO2 62a_100000745022_100000734275 [0,0,1,1,0,0|2,0,0]=4 2903 B15R2.16319 O=C(O)c1ccccc1SC[C@@H]2CO2 62a_202125556159_100000745022 [0,0,1,1,0,0|2,0,0]=4 2904 B15R2.16319 O=C([O-])c1ccccc1OCC2CC2 7a_100015234032_100000742324 [0,0,1,1,0,0|1,0,1]=4 2905 B15R2.16319 [13CH3]C(=O)c1ccccc1OCC2CC2 1458a_100000748903_200025704644 [0,0,1,1,0,0|2,0,0]=4 2906 B15R2.16320 CC(=O)c1ccccc1SC2CCC2 62a_100000751169_100000749161 [0,0,1,1,0,0|2,0,0]=4 2907 B15R2.16320 NC(=O)c1ccccc1NC2CCC2 34a_100000185089_100000749161 [0,0,1,1,0,0|2,0,0]=4 2908 B15R2.16320 NC(=O)c1ccccc1OC2CCC2 34a_100000192804_100000749161 [0,0,1,1,0,0|2,0,0]=4 2909 B15R2.16320 NC(=O)c1ccccc1SC2CCC2 62a_100000162227_100000749161 [0,0,1,1,0,0|2,0,0]=4 2910 B15R2.16320 O=C(O)c1ccccc1SC2CCC2 62a_202125556159_100000749161 [0,0,1,1,0,0|1,0,0]=3 2911 B15R2.16320 O=C(O)c1ccccc1SC2COC2 62a_202125556159_100009818527 [0,0,1,1,0,0|2,0,0]=4 2912 B17R3.7829 O=C1CC(c2c1cccc2)N3CCCC3 2230a_100000188435_100010208147 [0,1,0,1,0,0|1,0,0]=3 2913 B17R3.7829 O=C1CC(c2c1cccc2)N3CCCC3 269982a_100000188435_100010208147 [0,1,0,1,0,0|1,0,0]=3 2914 B17R3.7829 O=C1CC(c2c1cccc2)N3CCSC3 2230a_100011215254_100010208147 [0,1,0,1,0,0|2,0,0]=4 2915 B17R3.7829 O=C1CC(c2c1cccc2)N3CCSC3 269982a_100011215254_100010208147 [0,1,0,1,0,0|2,0,0]=4 2916 B17R3.7829 O=C1OC(c2c1cccc2)N3CC=CC3 269982a_100015195280_100009813457 [0,1,0,1,0,0|0,0,2]=4 2917 B17R3.7829 O=C1OC(c2c1cccc2)N3CCCC3 2230a_100000188435_100009813457 [0,1,0,1,0,0|0,0,0]=2 2918 B17R3.7829 O=C1OC(c2c1cccc2)N3CCCC3 269982a_100000188435_100009813457 [0,1,0,1,0,0|0,0,0]=2 2919 B17R3.7829 O=C1OC(c2c1cccc2)N3CCSC3 2230a_100011215254_100009813457 [0,1,0,1,0,0|1,0,0]=3 2920 B17R3.7829 O=C1OC(c2c1cccc2)N3CCSC3 269982a_100011215254_100009813457 [0,1,0,1,0,0|1,0,0]=3 2921 B17R3.60848 CC1CCN1C2CC(=O)c3c2cccc3 269982a_100000755817_100010208147 [0,1,0,1,0,0|1,0,0]=3 2922 B17R3.60848 CC1CCN1C2OC(=O)c3c2cccc3 269982a_100000755817_100009813457 [0,1,0,1,0,0|0,0,0]=2 2923 B17R3.102388 O=C1CC(c2c1cccc2)N[C@@H]3C[C@@H]3F 2230a_100015190264_100010208147 [0,1,0,1,0,0|2,0,0]=4 2924 B17R3.102388 O=C1CC(c2c1cccc2)N[C@@H]3C[C@H]3F 2230a_100025746932_100010208147 [0,1,0,1,0,0|2,0,0]=4 2925 B17R3.102388 O=C1OC(c2c1cccc2)N[C@@H]3C[C@@H]3F 2230a_100015190264_100009813457 [0,1,0,1,0,0|1,0,0]=3 2926 B17R3.102388 O=C1OC(c2c1cccc2)N[C@@H]3C[C@H]3F 2230a_100025746932_100009813457 [0,1,0,1,0,0|1,0,0]=3 2927 B17R3.102389 O=C1CC(c2c1cccc2)NC3CCC3 2230a_100000749019_100010208147 [0,1,0,1,0,0|1,0,0]=3 2928 B17R3.102389 O=C1CC(c2c1cccc2)NC3COC3 2230a_100016991112_100010208147 [0,1,0,1,0,0|2,0,0]=4 2929 B17R3.102389 O=C1CC(c2c1cccc2)OC3CSC3 7a_100000072292_100010208147 [0,1,0,1,0,0|2,0,0]=4 2930 B17R3.102389 O=C1CC(c2c1cccc2)SC3CCC3 62a_100010208147_100000749161 [0,1,0,1,0,0|1,0,0]=3 2931 B17R3.102389 O=C1CC(c2c1cccc2)SC3COC3 62a_100010208147_100009818527 [0,1,0,1,0,0|2,0,0]=4 2932 B17R3.102389 O=C1OC(c2c1cccc2)NC3CCC3 2230a_100000749019_100009813457 [0,1,0,1,0,0|0,0,0]=2 2933 B17R3.102389 O=C1OC(c2c1cccc2)NC3COC3 2230a_100016991112_100009813457 [0,1,0,1,0,0|1,0,0]=3 2934 B17R3.102390 O=C1CC(c2c1cccc2)NCC3CC3 2230a_100000735609_100010208147 [0,1,0,1,0,0|1,0,0]=3 2935 B17R3.102390 O=C1CC(c2c1cccc2)SCC3CC3 62a_100000756562_100010208147 [0,1,0,1,0,0|1,0,0]=3 2936 B17R3.102390 O=C1CC(c2c1cccc2)SCC3CC3 62a_100010208147_100000742324 [0,1,0,1,0,0|1,0,0]=3 2937 B17R3.102390 O=C1CC(c2c1cccc2)SCC3CO3 62a_100010208147_102125554688 [0,1,0,1,0,0|2,0,0]=4 2938 B17R3.102390 O=C1CC(c2c1cccc2)SCC3CO3 62a_102125554688_100010208147 [0,1,0,1,0,0|2,0,0]=4 2939 B17R3.102390 O=C1CC(c2c1cccc2)SCC3CS3 62a_100000031435_100010208147 [0,1,0,1,0,0|2,0,0]=4 2940 B17R3.102390 O=C1CC(c2c1cccc2)SCC3CS3 62a_100010208147_100000031435 [0,1,0,1,0,0|2,0,0]=4 2941 B17R3.102390 O=C1CC(c2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100010208147 [0,1,0,1,0,0|2,0,0]=4 2942 B17R3.102390 O=C1CC(c2c1cccc2)SC[C@@H]3CO3 62a_100010208147_100000745022 [0,1,0,1,0,0|2,0,0]=4 2943 B17R3.102390 O=C1OC(c2c1cccc2)NCC3CC3 2230a_100000735609_100009813457 [0,1,0,1,0,0|0,0,0]=2 2944 B17R3.102390 O=C1OC(c2c1cccc2)SCC3CC3 62a_100000756562_100009813457 [0,1,0,1,0,0|0,0,0]=2 2945 B17R3.102390 O=C1OC(c2c1cccc2)SCC3CO3 62a_102125554688_100009813457 [0,1,0,1,0,0|1,0,0]=3 2946 B17R3.102390 O=C1OC(c2c1cccc2)SCC3CS3 62a_100000031435_100009813457 [0,1,0,1,0,0|1,0,0]=3 2947 B17R3.102390 O=C1OC(c2c1cccc2)SC[C@@H]3CO3 62a_100000745022_100009813457 [0,1,0,1,0,0|1,0,0]=3 2948 B17R3.1722140 CC1(CC1)NC2CC(=O)c3c2cccc3 2230a_100000757604_100010208147 [0,1,0,1,0,0|2,0,0]=4 2949 B17R3.1722140 CC1(CC1)NC2OC(=O)c3c2cccc3 2230a_100000757604_100009813457 [0,1,0,1,0,0|1,0,0]=3 2950 B17R3.1722140 CC1(CC1)OC2CC(=O)c3c2cccc3 7a_100011725673_100010208147 [0,1,0,1,0,0|2,0,0]=4 2951 B17R3.59758 CC1CN(C1)C2CC(=O)c3c2cccc3 2230a_100000702820_100010208147 [0,1,0,1,0,0|2,0,0]=4 2952 B17R3.59758 CC1CN(C1)C2CC(=O)c3c2cccc3 269982a_100000702820_100010208147 [0,1,0,1,0,0|2,0,0]=4 2953 B17R3.59758 CC1CN(C1)C2OC(=O)c3c2cccc3 2230a_100000702820_100009813457 [0,1,0,1,0,0|1,0,0]=3 2954 B17R3.59758 CC1CN(C1)C2OC(=O)c3c2cccc3 269982a_100000702820_100009813457 [0,1,0,1,0,0|1,0,0]=3 2955 B17R3.59758 O=C1CC(c2c1cccc2)N3CC(C3)F 2230a_100000690557_100010208147 [0,1,0,1,0,0|2,0,0]=4 2956 B17R3.59758 O=C1CC(c2c1cccc2)N3CC(C3)F 269982a_100000690557_100010208147 [0,1,0,1,0,0|2,0,0]=4 2957 B17R3.59758 O=C1CC(c2c1cccc2)N3CC(C3)O 269982a_100000749847_100010208147 [0,1,0,1,0,0|2,0,0]=4 2958 B17R3.59758 O=C1OC(c2c1cccc2)N3CC(C3)F 2230a_100000690557_100009813457 [0,1,0,1,0,0|1,0,0]=3 2959 B17R3.59758 O=C1OC(c2c1cccc2)N3CC(C3)F 269982a_100000690557_100009813457 [0,1,0,1,0,0|1,0,0]=3 2960 B17R3.59758 O=C1OC(c2c1cccc2)N3CC(C3)O 269982a_100000749847_100009813457 [0,1,0,1,0,0|1,0,0]=3 2961 B17R3.1003899 CN(C1CC1)C2CC(=O)c3c2cccc3 2230a_100000226674_100010208147 [0,1,0,1,0,0|2,0,0]=4 2962 B17R3.1003899 CN(C1CC1)C2CC(=O)c3c2cccc3 269982a_100000226674_100010208147 [0,1,0,1,0,0|2,0,0]=4 2963 B17R3.1003899 CN(C1CC1)C2OC(=O)c3c2cccc3 2230a_100000226674_100009813457 [0,1,0,1,0,0|1,0,0]=3 2964 B17R3.1003899 CN(C1CC1)C2OC(=O)c3c2cccc3 269982a_100000226674_100009813457 [0,1,0,1,0,0|1,0,0]=3 2965 B17R3.1003899 O=C1CC(c2c1cccc2)C(=O)C3CC3 1458a_100000210395_100010208147 [0,1,0,1,0,0|1,0,1]=4 2966 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100000210303_100009813401 [1,0,0,0,1,0|1,0,1]=4 2967 B13R2.1028 CCCSC1Cc2c1cccc2 62a_100009813401_100000210303 [1,0,0,0,1,0|1,0,1]=4 2968 B13R2.1028 CCOCC1Cc2c1cccc2 34a_100012476685_100000210202 [1,0,0,0,1,0|1,0,1]=4 2969 B13R2.1028 CCOCC1Cc2c1cccc2 7a_100012476685_100000210202 [1,0,0,0,1,0|1,0,1]=4 2970 B15R1.83 CCCCC=CC(=O)Cc1ccccc1 1458a_100016266645_100015291786 [0,0,1,0,0,1|1,0,1]=4 2971 B15R1.83 CCCCC=CC(=O)Nc1ccccc1 11a_100000106764_100016266645 [0,0,1,0,0,1|1,0,1]=4 2972 B15R1.83 CCCCC=CC(=O)Nc1ccccc1 1626a_100000106764_100016266645 [0,0,1,0,0,1|1,0,1]=4 2973 B15R1.83 CCCCC=CC(=O)Nc1ccccc1 22a_100000106764_100016266645 [0,0,1,0,0,1|1,0,1]=4 2974 B15R1.83 CCCCCCC(=O)C[n+]1ccccc1 1458a_200000086051_100000210757 [0,0,1,0,0,1|2,0,0]=4 2975 B15R1.83 CCCCCCC(=O)Cc1ccccc1 1458a_100102632555_100015291786 [0,0,1,0,0,1|1,0,0]=3 2976 B15R1.83 CCCCCCC(=O)Cc1ccccn1 1458a_100000233486_100000210757 [0,0,1,0,0,1|2,0,0]=4 2977 B15R1.83 CCCCCCC(=O)Cc1ccccn1 1458a_100102632555_100000721315 [0,0,1,0,0,1|2,0,0]=4 2978 B15R1.83 CCCCCCC(=O)Cc1cccnc1 1458a_100000737805_100000210757 [0,0,1,0,0,1|2,0,0]=4 2979 B15R1.83 CCCCCCC(=O)Cc1cccnc1 1458a_100102632555_100000733263 [0,0,1,0,0,1|2,0,0]=4 2980 B15R1.83 CCCCCCC(=O)Cc1ccncc1 1458a_100102632555_100000705612 [0,0,1,0,0,1|2,0,0]=4 2981 B15R1.83 CCCCCCC(=O)Nc1ccccc1 11a_100000106764_100102632555 [0,0,1,0,0,1|1,0,0]=3 2982 B15R1.83 CCCCCCC(=O)Nc1ccccc1 1626a_100000106764_100102632555 [0,0,1,0,0,1|1,0,0]=3 2983 B15R1.83 CCCCCCC(=O)Nc1ccccc1 22a_100000106764_100102632555 [0,0,1,0,0,1|1,0,0]=3 2984 B15R1.83 CCCCCCC(=O)Nc1ccccc1 527a_100000106764_100102632555 [0,0,1,0,0,1|1,0,0]=3 2985 B15R1.83 CCCCCNC(=O)C[n+]1ccccc1 11a_100000209983_200000086051 [0,0,1,0,0,1|2,0,0]=4 2986 B15R1.83 CCCCCNC(=O)C[n+]1ccccc1 240690a_100000209983_200000086051 [0,0,1,0,0,1|2,0,0]=4 2987 B15R1.83 CCCCCNC(=O)C[n+]1ccccc1 527a_100000209983_200000086051 [0,0,1,0,0,1|2,0,0]=4 2988 B15R1.83 CCCCCNC(=O)Cc1ccccn1 11a_100000209983_100000233486 [0,0,1,0,0,1|2,0,0]=4 2989 B15R1.83 CCCCCNC(=O)Cc1cccnc1 11a_100000209983_100000737805 [0,0,1,0,0,1|2,0,0]=4 2990 B15R1.83 CCCCCNC(=O)Cc1cccnc1 240690a_100000209983_100000737805 [0,0,1,0,0,1|2,0,0]=4 2991 B15R1.83 CCCCCNC(=O)Cc1cccnc1 527a_100000209983_100000737805 [0,0,1,0,0,1|2,0,0]=4 2992 B15R1.83 CCCCCNC(=O)Cc1ccncc1 11a_100000209983_100011201483 [0,0,1,0,0,1|2,0,0]=4 2993 B15R1.83 CCCCCNC(=O)Cc1ccncc1 240690a_100000209983_100011201483 [0,0,1,0,0,1|2,0,0]=4 2994 B15R1.83 CCCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000209983 [0,0,1,0,0,1|1,0,0]=3 2995 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000210253_200011218536 [0,0,1,0,0,1|1,0,1]=4 2996 B15R1.83 CCCCCOC(C)Cc1ccccc1 34a_100000748627_100000718602 [0,0,1,0,0,1|1,0,1]=4 2997 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000210253_200011218536 [0,0,1,0,0,1|1,0,1]=4 2998 B15R1.83 CCCCCOC(C)Cc1ccccc1 7a_100000748627_100000210326 [0,0,1,0,0,1|1,0,1]=4 2999 B15R1.83 CCCCNCC(=O)Cc1ccccc1 2230a_100000102301_100000233483 [0,0,1,0,0,1|2,0,0]=4 3000 B15R1.83 CCCCNCC(=O)Cc1ccccc1 7a_106832991798_100000233483 [0,0,1,0,0,1|2,0,0]=4 3001 B15R1.83 CCCCNCC(=O)Nc1ccccc1 2230a_100000102301_100000182850 [0,0,1,0,0,1|2,0,0]=4 3002 B15R1.83 CCCCNCC(=O)Nc1ccccc1 7a_106832991798_100000182850 [0,0,1,0,0,1|2,0,0]=4 3003 B15R1.83 CCCCNCC(=O)Oc1ccccc1 2230a_100000102301_100009813826 [0,0,1,0,0,1|2,0,0]=4 3004 B15R1.83 CCCCNCC(=O)Oc1ccccc1 7a_106832991798_100009813826 [0,0,1,0,0,1|2,0,0]=4 3005 B15R1.83 CCCCOCC(=O)Cc1ccccc1 1458a_100000757543_100015291786 [0,0,1,0,0,1|2,0,0]=4 3006 B15R1.83 CCCCOCC(=O)Cc1ccccc1 7a_100000210227_100000233483 [0,0,1,0,0,1|2,0,0]=4 3007 B15R1.83 CCCCOCC(=O)Nc1ccccc1 11a_100000106764_100000757543 [0,0,1,0,0,1|2,0,0]=4 3008 B15R1.83 CCCCOCC(=O)Nc1ccccc1 1626a_100000106764_100000757543 [0,0,1,0,0,1|2,0,0]=4 3009 B15R1.83 CCCCOCC(=O)Nc1ccccc1 22a_100000106764_100000757543 [0,0,1,0,0,1|2,0,0]=4 3010 B15R1.83 CCCCOCC(=O)Nc1ccccc1 34a_100000210227_100000182850 [0,0,1,0,0,1|2,0,0]=4 3011 B15R1.83 CCCCOCC(=O)Nc1ccccc1 34a_100000246334_100000210210 [0,0,1,0,0,1|2,0,0]=4 3012 B15R1.83 CCCCOCC(=O)Nc1ccccc1 527a_100000106764_100000757543 [0,0,1,0,0,1|2,0,0]=4 3013 B15R1.83 CCCCOCC(=O)Nc1ccccc1 7a_100000210227_100000182850 [0,0,1,0,0,1|2,0,0]=4 3014 B15R1.83 CCCCOCC(=O)Oc1ccccc1 34a_100000210227_100009813826 [0,0,1,0,0,1|2,0,0]=4 3015 B15R1.83 CCCCOCC(=O)Oc1ccccc1 7a_100000210227_100009813826 [0,0,1,0,0,1|2,0,0]=4 3016 B15R1.83 CCCCSCC(=O)Cc1ccccc1 1458a_100000191162_100015291786 [0,0,1,0,0,1|2,0,0]=4 3017 B15R1.83 CCCCSCC(=O)Cc1ccccc1 62a_100000210211_100000233483 [0,0,1,0,0,1|2,0,0]=4 3018 B15R1.83 CCCCSCC(=O)Cc1ccccc1 62a_100000233483_100000210210 [0,0,1,0,0,1|2,0,0]=4 3019 B15R1.83 CCCCSCC(=O)Nc1ccccc1 11a_100000106764_100000191162 [0,0,1,0,0,1|2,0,0]=4 3020 B15R1.83 CCCCSCC(=O)Nc1ccccc1 1626a_100000106764_100000191162 [0,0,1,0,0,1|2,0,0]=4 3021 B15R1.83 CCCCSCC(=O)Nc1ccccc1 22a_100000106764_100000191162 [0,0,1,0,0,1|2,0,0]=4 3022 B15R1.83 CCCCSCC(=O)Nc1ccccc1 527a_100000106764_100000191162 [0,0,1,0,0,1|2,0,0]=4 3023 B15R1.83 CCCCSCC(=O)Nc1ccccc1 62a_100000210211_100000182850 [0,0,1,0,0,1|2,0,0]=4 3024 B15R1.83 CCCCSCC(=O)Nc1ccccc1 62a_100012148978_100000210210 [0,0,1,0,0,1|2,0,0]=4 3025 B15R1.83 CCCCSCC(=O)Oc1ccccc1 62a_100000210211_100009813826 [0,0,1,0,0,1|2,0,0]=4 3026 B15R1.83 CCCCSCC(=O)Oc1ccccc1 62a_100009813826_100000210210 [0,0,1,0,0,1|2,0,0]=4 3027 B15R1.83 CCCOCCC(=O)Nc1ccccc1 34a_100000210258_100000242058 [0,0,1,0,0,1|2,0,0]=4 3028 B15R1.83 CCCSCCC(=O)Nc1ccccc1 62a_100000210303_100000242058 [0,0,1,0,0,1|2,0,0]=4 3029 B15R1.83 CCCSCCC(=O)Oc1ccccc1 62a_100000210303_200000035796 [0,0,1,0,0,1|2,0,0]=4 3030 B15R1.83 CCNCCCC(=O)Nc1ccccc1 2230a_100015525214_100011194425 [0,0,1,0,0,1|2,0,0]=4 3031 B15R1.83 CCNCCCC(=O)Nc1ccccc1 34a_100000750157_100000210202 [0,0,1,0,0,1|2,0,0]=4 3032 B15R1.83 CCOCCCC(=O)Nc1ccccc1 34a_100121572206_100011194425 [0,0,1,0,0,1|2,0,0]=4 3033 B15R1.83 CCOCCNC(=O)Nc1ccccc1 2430a_100000106764_100011200944 [0,0,1,0,0,1|2,0,0]=4 3034 B15R1.83 CCSCCCC(=O)Nc1ccccc1 62a_100000210202_100011194425 [0,0,1,0,0,1|2,0,0]=4 3035 B15R1.83 CCSCCNC(=O)Nc1ccccc1 2430a_100000106764_100000106463 [0,0,1,0,0,1|2,0,0]=4 3036 B15R1.83 COCCCNC(=O)Nc1ccccc1 2430a_100000106764_100150723488 [0,0,1,0,0,1|2,0,0]=4 3037 B15R1.83 CSCCCNC(=O)Nc1ccccc1 2430a_100000106764_100000749238 [0,0,1,0,0,1|2,0,0]=4 3038 B15R1.83 O=C(CCCCCO)Cc1ccccc1 1458a_100102619762_100015291786 [0,0,1,0,0,1|2,0,0]=4 3039 B15R1.83 O=C(CCCCCO)Nc1ccccc1 22a_100000106764_100102619762 [0,0,1,0,0,1|2,0,0]=4 3040 B15R1.83 O=C(NCCCCO)Nc1ccccc1 2430a_100000106764_100000750430 [0,0,1,0,0,1|2,0,0]=4 3041 B15R1.1064 CCCCN(CC=O)Cc1ccccc1 2230a_200000196024_200015260668 [0,0,1,0,0,1|2,0,0]=4 3042 B15R1.1064 CCCCN(CC=O)Cc1ccccc1 269982a_200000196024_200015260668 [0,0,1,0,0,1|2,0,0]=4 3043 B15R1.1188 CCCCNc1ccccc1NC(=O)C 34a_100011193560_100000210210 [0,0,1,0,0,1|2,0,0]=4 3044 B15R1.1188 CCCCOc1ccccc1NC(=O)C 11a_100000743494_100015343762 [0,0,1,0,0,1|2,0,0]=4 3045 B15R1.1188 CCCCOc1ccccc1NC(=O)C 1626a_100000743494_100015343762 [0,0,1,0,0,1|2,0,0]=4 3046 B15R1.1188 CCCCOc1ccccc1NC(=O)C 22a_100000743494_100000070787 [0,0,1,0,0,1|2,0,0]=4 3047 B15R1.1188 CCCCOc1ccccc1NC(=O)C 34a_100000185124_100000210210 [0,0,1,0,0,1|2,0,0]=4 3048 B15R1.1188 CCCCOc1ccccc1NC(=O)C 527a_100000743494_100103153847 [0,0,1,0,0,1|2,0,0]=4 3049 B15R1.1188 CCCCOc1ccccc1NC(=O)C 7a_100000185124_100000210211 [0,0,1,0,0,1|2,0,0]=4 3050 B15R1.1188 CCCCSc1ccccc1CC(=O)C 62a_100000210211_100011350739 [0,0,1,0,0,1|2,0,0]=4 3051 B15R1.1188 CCCCSc1ccccc1CC(=O)C 62a_100011350739_100000210210 [0,0,1,0,0,1|2,0,0]=4 3052 B15R1.1188 CCCCSc1ccccc1CC(=O)N 62a_100000210211_200009814924 [0,0,1,0,0,1|2,0,0]=4 3053 B15R1.1188 CCCCSc1ccccc1CC(=O)N 62a_200009814924_100000210210 [0,0,1,0,0,1|2,0,0]=4 3054 B15R1.1188 CCCCSc1ccccc1NC(=O)C 62a_100000210211_100000153524 [0,0,1,0,0,1|2,0,0]=4 3055 B15R1.1188 CCCCSc1ccccc1NC(=O)N 62a_100000210211_100000742221 [0,0,1,0,0,1|2,0,0]=4 3056 B15R1.1188 CCCCSc1ccccc1OC(=O)C 62a_100000051690_100000210210 [0,0,1,0,0,1|2,0,0]=4 3057 B15R1.1188 CCCCSc1ccccc1OC(=O)C 62a_100000210211_100000051690 [0,0,1,0,0,1|2,0,0]=4 3058 B15R1.1188 CCCNCc1ccccc1CC(=O)O 269956a_100000688124_100000210207 [0,0,1,0,0,1|1,0,0]=3 3059 B15R1.1188 CCCNCc1ccccc1OC(=O)C 270004a_100020643023_100009864558 [0,0,1,0,0,1|2,0,0]=4 3060 B15R1.1188 CCCOCc1ccccc1NC(=O)C 34a_100000192217_100000210303 [0,0,1,0,0,1|2,0,0]=4 3061 B15R1.1188 CCCOCc1ccccc1NC(=O)C 7a_100000192217_100000210303 [0,0,1,0,0,1|2,0,0]=4 3062 B15R1.1188 COCNCc1ccccc1CC(=O)O 269956a_100000688124_100000766300 [0,0,1,0,0,1|2,0,0]=4 3063 B15R1.1188 CSCNCc1ccccc1CC(=O)O 269956a_100000688124_100011218213 [0,0,1,0,0,1|2,0,0]=4 3064 B15R1.1188 O=C(O)Cc1ccccc1CNCCF 269956a_100000688124_100011217306 [0,0,1,0,0,1|2,0,0]=4 3065 B15R1.1188 O=C(O)Cc1ccccc1CNCCO 269956a_100000688124_100000211926 [0,0,1,0,0,1|2,0,0]=4 3066 B15R1.5925 C=Cc1ccccc1NC(C)CCCC 34a_100012022501_200011215066 [0,0,1,0,0,1|2,0,0]=4 3067 B15R1.5925 C=Cc1ccccc1SC(C)CCCC 62a_100011218376_200011215066 [0,0,1,0,0,1|2,0,0]=4 3068 B15R1.5925 C=Cc1ccccc1SC(C)CCCC 62a_200011215066_100011218376 [0,0,1,0,0,1|2,0,0]=4 3069 B15R1.5925 CCCCC(=Cc1ccccc1C=O)Br 271570a_206741709834_100000211189 [0,0,1,0,0,1|1,0,1]=4 3070 B15R1.5925 CCCCC(=O)Cc1ccccc1C=O 1458a_100000210183_200009853537 [0,0,1,0,0,1|0,0,2]=4 3071 B15R1.5925 CCCCC(C)Sc1ccccc1C=O 62a_100000210073_200011215066 [0,0,1,0,0,1|1,0,0]=3 3072 B15R1.5925 CCCCC(C)Sc1ccccc1C=O 62a_200011215066_100000210073 [0,0,1,0,0,1|1,0,0]=3 3073 B15R1.5925 CCCCC(C)Sc1cccnc1C=O 62a_100011934733_200011215066 [0,0,1,0,0,1|2,0,0]=4 3074 B15R1.5925 CCCCC(C)Sc1cccnc1C=O 62a_200011215066_100011934733 [0,0,1,0,0,1|2,0,0]=4 3075 B15R1.5925 CCCCC(C)Sc1ccncc1C=O 62a_100000050567_200011215066 [0,0,1,0,0,1|2,0,0]=4 3076 B15R1.5925 CCCCC(C)Sc1ccncc1C=O 62a_200011215066_100000050567 [0,0,1,0,0,1|2,0,0]=4 3077 B15R1.5925 CCCCC(C)Sc1cnccc1C=O 62a_100011934409_200011215066 [0,0,1,0,0,1|2,0,0]=4 3078 B15R1.5925 CCCCC(C)Sc1cnccc1C=O 62a_200011215066_100011934409 [0,0,1,0,0,1|2,0,0]=4 3079 B15R1.5925 CCCCC(C)Sc1ncccc1C=O 62a_100009816751_200011215066 [0,0,1,0,0,1|2,0,0]=4 3080 B15R1.5925 CCCCC(C)Sc1ncccc1C=O 62a_200011215066_100009816751 [0,0,1,0,0,1|2,0,0]=4 3081 B15R1.5925 CCCCN(C)Cc1ccccc1C=O 2230a_100000207549_200009853537 [0,0,1,0,0,1|2,0,0]=4 3082 B15R1.5925 CCCCN(C)Cc1ccccc1C=O 269982a_100000207549_200009853537 [0,0,1,0,0,1|2,0,0]=4 3083 B15R2.352 CCCCc1cc2ccccc2cn1 271570a_100020621405_100000047361 [1,0,0,0,0,1|1,0,1]=4 3084 B15R2.352 CCCCc1ccc2ccccc2c1 271570a_100020621405_100000233703 [1,0,0,0,0,1|1,0,1]=4 3085 B15R2.352 CCCCc1ccc2ccccc2n1 271570a_100020621405_100011291633 [1,0,0,0,0,1|1,0,1]=4 3086 B15R2.352 CCCCc1ncc2ccccc2n1 271570a_100020621405_100000097389 [1,0,0,0,0,1|1,0,1]=4 3087 B15R2.352 CCCOC1Cc2ccccc2CO1 34a_200000095866_100000210303 [1,0,0,0,0,1|1,0,1]=4