0 B14R2.2974 CNC1(CCCC1)c2ccccc2 2230a_100025739779_200000210301 [0,0,0,0,0,0|2,0,0]=2 1 B14R2.2974 CNC1(CCCC1)c2ccccc2 34a_100025739779_200000210301 [0,0,0,0,0,0|2,0,0]=2 2 B14R2.2974 [13CH3]NC1(CCCC1)c2ccccc2 2230a_100025739779_200025704644 [0,0,0,0,0,0|2,0,0]=2 3 B14R2.2974 [13CH3]NC1(CCCC1)c2ccccc2 34a_100025739779_200025704644 [0,0,0,0,0,0|2,0,0]=2 4 B15R2.4125 COC1(CCCC1)c2ccc(cc2)Br 34a_100010132842_200000210301 [0,1,0,0,0,0|2,0,0]=3 5 B15R2.4125 COC1(CCCC1)c2ccc(cc2)Br 7a_100010132842_200000210301 [0,1,0,0,0,0|2,0,0]=3 6 B15R2.4125 N#CC1(CCCC1)c2ccc(cc2)O 271570a_203496583355_100000742353 [0,1,0,0,0,0|0,0,2]=3 7 B15R2.4125 [13CH3]OC1(CCCC1)c2ccc(cc2)Br 34a_100010132842_200025704644 [0,1,0,0,0,0|2,0,0]=3 8 B15R2.4125 [13CH3]OC1(CCCC1)c2ccc(cc2)Br 7a_100010132842_200025704644 [0,1,0,0,0,0|2,0,0]=3 9 B15R2.4134 CNC1(CCCC1)c2cccc(c2)Br 2230a_200011271485_200000210301 [0,1,0,0,0,0|2,0,0]=3 10 B15R2.4134 CNC1(CCCC1)c2cccc(c2)Br 34a_200011271485_200000210301 [0,1,0,0,0,0|2,0,0]=3 11 B15R2.4134 COC1(CCCC1)c2cccc(c2)Br 34a_100010765679_200000210301 [0,1,0,0,0,0|2,0,0]=3 12 B15R2.4134 COC1(CCCC1)c2cccc(c2)Br 7a_100010765679_200000210301 [0,1,0,0,0,0|2,0,0]=3 13 B15R2.4134 NCC1(CCCC1)c2cccc(c2)O 271570a_203496583355_200000690917 [0,1,0,0,0,0|0,0,0]=1 14 B15R2.4134 [13CH3]NC1(CCCC1)c2cccc(c2)Br 2230a_200011271485_200025704644 [0,1,0,0,0,0|2,0,0]=3 15 B15R2.4134 [13CH3]NC1(CCCC1)c2cccc(c2)Br 34a_200011271485_200025704644 [0,1,0,0,0,0|2,0,0]=3 16 B15R2.4134 [13CH3]OC1(CCCC1)c2cccc(c2)Br 34a_100010765679_200025704644 [0,1,0,0,0,0|2,0,0]=3 17 B15R2.4134 [13CH3]OC1(CCCC1)c2cccc(c2)Br 7a_100010765679_200025704644 [0,1,0,0,0,0|2,0,0]=3 18 B15R2.6812 CCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000210202 [0,1,0,0,0,0|1,0,0]=2 19 B15R2.6812 CCNC1(CCCC1)c2ccccc2 34a_100025739779_100000210202 [0,1,0,0,0,0|1,0,0]=2 20 B15R2.6812 CNCC1(CCCC1)c2ccccc2 2230a_100000239588_200000210301 [0,1,0,0,0,0|0,0,0]=1 21 B15R2.6812 CNCC1(CCCC1)c2ccccc2 34a_100000239588_200000210301 [0,1,0,0,0,0|0,0,0]=1 22 B15R2.6812 COCC1(CCCC1)c2ccccc2 34a_100000717885_200000210301 [0,1,0,0,0,0|1,0,0]=2 23 B15R2.6812 COCC1(CCCC1)c2ccccc2 7a_100000717885_200000210301 [0,1,0,0,0,0|1,0,0]=2 24 B15R2.6812 CSCC1(OCCO1)c2ccccc2 62a_200000210301_200009995123 [0,1,0,0,0,0|3,0,0]=4 25 B15R2.6812 FCNC1(CCCC1)c2ccccc2 34a_100025739779_100015361967 [0,1,0,0,0,0|1,0,0]=2 26 B15R2.6812 [13CH3]NCC1(CCCC1)c2ccccc2 2230a_100000239588_200025704644 [0,1,0,0,0,0|0,0,0]=1 27 B15R2.6812 [13CH3]NCC1(CCCC1)c2ccccc2 34a_100000239588_200025704644 [0,1,0,0,0,0|0,0,0]=1 28 B15R2.6812 [13CH3]OCC1(CCCC1)c2ccccc2 34a_100000717885_200025704644 [0,1,0,0,0,0|1,0,0]=2 29 B15R2.6812 [13CH3]OCC1(CCCC1)c2ccccc2 7a_100000717885_200025704644 [0,1,0,0,0,0|1,0,0]=2 30 B15R2.6812 [13CH3]SCC1(OCCO1)c2ccccc2 62a_200025704644_200009995123 [0,1,0,0,0,0|3,0,0]=4 31 B15R2.16122 CC(=O)C1(CCCC1)c2ccccc2 1458a_100000211583_200000210301 [0,1,0,0,0,0|1,0,1]=3 32 B15R2.16122 [13CH3]C(=O)C1(CCCC1)c2ccccc2 1458a_100000211583_200025704644 [0,1,0,0,0,0|1,0,1]=3 33 B13R1.26 C#CC(OCCC)c1ccccc1 34a_100011219616_100000210303 [0,0,1,0,0,0|2,0,1]=4 34 B13R1.26 C#CC(OCCC)c1ccccc1 7a_100011219616_100000210303 [0,0,1,0,0,0|2,0,1]=4 35 B13R1.26 C#CCOC(CN)c1ccccc1 34a_100000210709_100000184674 [0,0,1,0,0,0|1,0,2]=4 36 B13R1.26 C=CC(OCCC)c1ccccc1 34a_100011215659_100000210303 [0,0,1,0,0,0|2,0,1]=4 37 B13R1.26 C=CC(OCCC)c1ccccc1 7a_100011215659_100000210303 [0,0,1,0,0,0|2,0,1]=4 38 B13R1.26 C=CC(SCCC)c1ccccc1 62a_100000210303_200000085779 [0,0,1,0,0,0|2,0,1]=4 39 B13R1.26 C=CC(SCCC)c1ccccc1 62a_200000085779_100000210303 [0,0,1,0,0,0|2,0,1]=4 40 B13R1.26 C=CCOC(CN)c1ccccc1 34a_100000210709_100015514636 [0,0,1,0,0,0|1,0,2]=4 41 B13R1.26 CCC(COCF)c1ccccc1 34a_100000752371_100015361967 [0,0,1,0,0,0|3,0,0]=4 42 B13R1.26 CCC(COCF)c1ccccc1 7a_100000752371_100015361967 [0,0,1,0,0,0|3,0,0]=4 43 B13R1.26 CCC(NCCF)c1ccccc1 2230a_100000737752_100011217306 [0,0,1,0,0,0|3,0,0]=4 44 B13R1.26 CCC(NCCF)c1ccccc1 269862a_100000724931_100000210124 [0,0,1,0,0,0|3,0,0]=4 45 B13R1.26 CCC(NCCO)c1ccccc1 2230a_100000737752_100000211926 [0,0,1,0,0,0|3,0,0]=4 46 B13R1.26 CCC(NCCO)c1ccccc1 269862a_100000210304_100000210124 [0,0,1,0,0,0|3,0,0]=4 47 B13R1.26 CCC(NCOC)c1ccccc1 2230a_100000737752_100000766300 [0,0,1,0,0,0|3,0,0]=4 48 B13R1.26 CCC(NCSC)c1ccccc1 2230a_100000737752_100011218213 [0,0,1,0,0,0|3,0,0]=4 49 B13R1.26 CCC(OCCF)c1ccccc1 34a_100000698172_100011217306 [0,0,1,0,0,0|3,0,0]=4 50 B13R1.26 CCC(OCCF)c1ccccc1 7a_100000698172_100011217306 [0,0,1,0,0,0|3,0,0]=4 51 B13R1.26 CCC(OCCO)c1ccccc1 34a_100000698172_100000211926 [0,0,1,0,0,0|3,0,0]=4 52 B13R1.26 CCC(OCCO)c1ccccc1 7a_100000698172_100000211926 [0,0,1,0,0,0|3,0,0]=4 53 B13R1.26 CCC(OCSC)c1ccccc1 34a_100000698172_100011218213 [0,0,1,0,0,0|3,0,0]=4 54 B13R1.26 CCCCC(NC)c1ccccc1 269862a_106832991636_100000211663 [0,0,1,0,0,0|2,0,0]=3 55 B13R1.26 CCCCC(NC)c1cccnc1 2230a_200011711859_200000210301 [0,0,1,0,0,0|3,0,0]=4 56 B13R1.26 CCCCC(NC)c1cccnc1 269862a_106832991636_200011709925 [0,0,1,0,0,0|3,0,0]=4 57 B13R1.26 CCCCC(NC)c1ccncc1 2230a_100015203128_200000210301 [0,0,1,0,0,0|3,0,0]=4 58 B13R1.26 CCCCC(N[13CH3])c1cccnc1 2230a_200011711859_200025704644 [0,0,1,0,0,0|3,0,0]=4 59 B13R1.26 CCCCC(N[13CH3])c1ccncc1 2230a_100015203128_200025704644 [0,0,1,0,0,0|3,0,0]=4 60 B13R1.26 CCCCC(OC)c1ccccc1 34a_100000698411_200000210301 [0,0,1,0,0,0|2,0,0]=3 61 B13R1.26 CCCCC(OC)c1ccccc1 7a_100000698411_200000210301 [0,0,1,0,0,0|2,0,0]=3 62 B13R1.26 CCCCC(O[13CH3])c1ccccc1 34a_100000698411_200025704644 [0,0,1,0,0,0|2,0,0]=3 63 B13R1.26 CCCCC(O[13CH3])c1ccccc1 7a_100000698411_200025704644 [0,0,1,0,0,0|2,0,0]=3 64 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000210013_100000210211 [0,0,1,0,0,0|2,0,0]=3 65 B13R1.26 CCCCN(CC)c1ccccc1 2230a_100000211623_100000210202 [0,0,1,0,0,0|2,0,0]=3 66 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000210013_100000210211 [0,0,1,0,0,0|2,0,0]=3 67 B13R1.26 CCCCN(CC)c1ccccc1 269982a_100000211623_100000204670 [0,0,1,0,0,0|2,0,0]=3 68 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000210013_100000210210 [0,0,1,0,0,0|2,0,0]=3 69 B13R1.26 CCCCN(CC)c1ccccc1 34a_100000211623_100000210202 [0,0,1,0,0,0|2,0,0]=3 70 B13R1.26 CCCCN(CF)c1ccccc1 269982a_100000211623_100015361967 [0,0,1,0,0,0|2,0,0]=3 71 B13R1.26 CCCCN(CF)c1ccccc1 34a_100000211623_100015361967 [0,0,1,0,0,0|2,0,0]=3 72 B13R1.26 CCCNC(CC)c1ccccc1 2230a_100000737752_100000210303 [0,0,1,0,0,0|2,0,0]=3 73 B13R1.26 CCCNC(CC)c1ccccc1 269862a_100020643023_100000210124 [0,0,1,0,0,0|2,0,0]=3 74 B13R1.26 CCCNC(CC)c1ccccn1 2230a_100015186561_100000210303 [0,0,1,0,0,0|3,0,0]=4 75 B13R1.26 CCCNC(CC)c1ccccn1 269862a_100020643023_100000748178 [0,0,1,0,0,0|3,0,0]=4 76 B13R1.26 CCCNC(CC)c1cccnc1 2230a_100000246009_100000210303 [0,0,1,0,0,0|3,0,0]=4 77 B13R1.26 CCCNC(CC)c1cccnc1 269862a_100020643023_100011218761 [0,0,1,0,0,0|3,0,0]=4 78 B13R1.26 CCCNC(CC)c1ccncc1 269862a_100020643023_100011216016 [0,0,1,0,0,0|3,0,0]=4 79 B13R1.26 CCCNC(CO)c1ccccn1 2230a_100015196888_100000210303 [0,0,1,0,0,0|3,0,0]=4 80 B13R1.26 CCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210303 [0,0,1,0,0,0|2,0,0]=3 81 B13R1.26 CCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210303 [0,0,1,0,0,0|2,0,0]=3 82 B13R1.26 CCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000210303 [0,0,1,0,0,0|3,0,0]=4 83 B13R1.26 CCCOC(C#N)c1ccccc1 7a_100011217353_100000210303 [0,0,1,0,0,0|1,0,2]=4 84 B13R1.26 CCCOC(CBr)c1ccccc1 7a_100000185958_100000210303 [0,0,1,0,0,0|2,0,0]=3 85 B13R1.26 CCCOC(CC)c1ccccc1 34a_100000698172_100000210303 [0,0,1,0,0,0|2,0,0]=3 86 B13R1.26 CCCOC(CC)c1ccccc1 7a_100000698172_100000210303 [0,0,1,0,0,0|2,0,0]=3 87 B13R1.26 CCCOC(CN)c1ccccc1 34a_100000210709_100000210303 [0,0,1,0,0,0|1,0,0]=2 88 B13R1.26 CCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210303 [0,0,1,0,0,0|2,0,0]=3 89 B13R1.26 CCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210303 [0,0,1,0,0,0|2,0,0]=3 90 B13R1.26 CCN(CCCF)c1ccccc1 2230a_100000210013_100011934791 [0,0,1,0,0,0|3,0,0]=4 91 B13R1.26 CCN(CCCF)c1ccccc1 269982a_100000210013_100011934791 [0,0,1,0,0,0|3,0,0]=4 92 B13R1.26 CCN(CCCF)c1ccccc1 34a_100000210013_100011934791 [0,0,1,0,0,0|3,0,0]=4 93 B13R1.26 CCN(CCCO)c1ccccc1 2230a_100000210013_100000230001 [0,0,1,0,0,0|3,0,0]=4 94 B13R1.26 CCN(CCCO)c1ccccc1 2230a_100000212590_100000210202 [0,0,1,0,0,0|3,0,0]=4 95 B13R1.26 CCN(CCCO)c1ccccc1 269982a_100000210013_100011215043 [0,0,1,0,0,0|3,0,0]=4 96 B13R1.26 CCN(CCCO)c1ccccc1 269982a_100000212590_100000204670 [0,0,1,0,0,0|3,0,0]=4 97 B13R1.26 CCN(CCCO)c1ccccc1 34a_100000210013_100000230001 [0,0,1,0,0,0|3,0,0]=4 98 B13R1.26 CCN(CCCO)c1ccccc1 34a_100000212590_100000210202 [0,0,1,0,0,0|3,0,0]=4 99 B13R1.26 CCN(CCOC)c1ccccc1 2230a_100000210013_100011201679 [0,0,1,0,0,0|3,0,0]=4 100 B13R1.26 CCN(CCOC)c1ccccc1 269982a_100000210013_100000233755 [0,0,1,0,0,0|3,0,0]=4 101 B13R1.26 CCN(CCOC)c1ccccc1 34a_100000210013_100011201679 [0,0,1,0,0,0|3,0,0]=4 102 B13R1.26 CCN(CCOC)c1ccccc1 7a_100000184040_200000210301 [0,0,1,0,0,0|3,0,0]=4 103 B13R1.26 CCN(CCO[13CH3])c1ccccc1 7a_100000184040_200025704644 [0,0,1,0,0,0|3,0,0]=4 104 B13R1.26 CCN(CCSC)c1ccccc1 2230a_100000210013_100000751147 [0,0,1,0,0,0|3,0,0]=4 105 B13R1.26 CCN(CCSC)c1ccccc1 269982a_100000210013_100000212216 [0,0,1,0,0,0|3,0,0]=4 106 B13R1.26 CCN(CCSC)c1ccccc1 34a_100000210013_100000212216 [0,0,1,0,0,0|3,0,0]=4 107 B13R1.26 CCNCC(CC)c1ccccc1 270004a_100015525214_100000753018 [0,0,1,0,0,0|2,0,0]=3 108 B13R1.26 CCOCC(CC)c1ccccc1 34a_100000752371_100000210202 [0,0,1,0,0,0|2,0,0]=3 109 B13R1.26 CCOCC(CC)c1ccccc1 7a_100000752371_100000210202 [0,0,1,0,0,0|2,0,0]=3 110 B13R1.26 CCOCC(OC)c1ccccc1 34a_100011215540_100000210202 [0,0,1,0,0,0|3,0,0]=4 111 B13R1.26 CCOCC(OC)c1ccccc1 7a_100011215540_100000210202 [0,0,1,0,0,0|3,0,0]=4 112 B13R1.26 CCOCN(CC)c1ccccc1 269982a_100000210013_100000739092 [0,0,1,0,0,0|3,0,0]=4 113 B13R1.26 CNC(CCCO)c1ccccc1 2230a_100000759318_200000210301 [0,0,1,0,0,0|3,0,0]=4 114 B13R1.26 CNC(CCCO)c1ccccc1 34a_100000759318_200000210301 [0,0,1,0,0,0|3,0,0]=4 115 B13R1.26 CNCCC(NC)c1ccccc1 269862a_106832991636_100015249630 [0,0,1,0,0,0|3,0,0]=4 116 B13R1.26 COCN[C@H](CO)c1ccccc1 2230a_100000751927_100000766300 [0,0,1,0,0,0|3,0,0]=4 117 B13R1.26 CSCN[C@H](CO)c1ccccc1 2230a_100000751927_100011218213 [0,0,1,0,0,0|3,0,0]=4 118 B13R1.26 CSCN[C@H](CO)c1ccccc1 34a_100000751927_100011218213 [0,0,1,0,0,0|3,0,0]=4 119 B13R1.26 CSCOC(CN)c1ccccc1 34a_100000210709_100011218213 [0,0,1,0,0,0|2,0,0]=3 120 B13R1.26 CSCO[C@H](CCl)c1ccccc1 34a_100011933945_100011218213 [0,0,1,0,0,0|3,0,0]=4 121 B13R1.26 FCCOC(CBr)c1ccccc1 7a_100000185958_100011217306 [0,0,1,0,0,0|3,0,0]=4 122 B13R1.26 FCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011217306 [0,0,1,0,0,0|3,0,0]=4 123 B13R1.26 FCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011217306 [0,0,1,0,0,0|3,0,0]=4 124 B13R1.26 NCC(OCC=O)c1ccccc1 34a_100000210709_200009817547 [0,0,1,0,0,0|2,0,1]=4 125 B13R1.26 NCC(OCCF)c1ccccc1 34a_100000210709_100011217306 [0,0,1,0,0,0|2,0,0]=3 126 B13R1.26 NCC(OCCO)c1ccccc1 34a_100000210709_100000211926 [0,0,1,0,0,0|2,0,0]=3 127 B13R1.26 OCCCN(CF)c1ccccc1 269982a_100000212590_100015361967 [0,0,1,0,0,0|3,0,0]=4 128 B13R1.26 OCCCN(CF)c1ccccc1 34a_100000212590_100015361967 [0,0,1,0,0,0|3,0,0]=4 129 B13R1.26 OCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000211926 [0,0,1,0,0,0|3,0,0]=4 130 B13R1.26 OCCN[C@H](CO)c1ccccc1 34a_100000751927_100000211926 [0,0,1,0,0,0|3,0,0]=4 131 B13R1.26 OCCOC(CBr)c1ccccc1 7a_100000185958_100000211926 [0,0,1,0,0,0|3,0,0]=4 132 B13R1.26 OCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000211926 [0,0,1,0,0,0|3,0,0]=4 133 B13R1.26 OCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000211926 [0,0,1,0,0,0|3,0,0]=4 134 B13R1.26 OC[C@@H](NCCF)c1ccccc1 2230a_100000751927_100011217306 [0,0,1,0,0,0|3,0,0]=4 135 B13R1.26 OC[C@@H](NCCF)c1ccccc1 34a_100000751927_100011217306 [0,0,1,0,0,0|3,0,0]=4 136 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 2230a_100000759318_200025704644 [0,0,1,0,0,0|3,0,0]=4 137 B13R1.26 [13CH3]NC(CCCO)c1ccccc1 34a_100000759318_200025704644 [0,0,1,0,0,0|3,0,0]=4 138 B13R1.402 C#CC(C)(OCC)c1ccccc1 34a_100000198054_100000210202 [0,0,1,0,0,0|2,0,1]=4 139 B13R1.402 C#CC(C)(OCC)c1ccccc1 7a_100000198054_100000210202 [0,0,1,0,0,0|2,0,1]=4 140 B13R1.402 CCC(C)(OCF)c1ccccc1 7a_100000748282_100015361967 [0,0,1,0,0,0|3,0,0]=4 141 B13R1.402 CCCC(C)(OC)c1ccccc1 7a_200011216028_200000210301 [0,0,1,0,0,0|2,0,0]=3 142 B13R1.402 CCCC(C)(O[13CH3])c1ccccc1 7a_200011216028_200025704644 [0,0,1,0,0,0|2,0,0]=3 143 B13R1.402 CCOC(C)(CC)c1ccccc1 7a_100000748282_100000210202 [0,0,1,0,0,0|2,0,0]=3 144 B13R1.412 CCC(CC)(NC)c1ccccc1 2230a_100020617177_200000210301 [0,0,1,0,0,0|2,0,0]=3 145 B13R1.412 CCC(CC)(N[13CH3])c1ccccc1 2230a_100020617177_200025704644 [0,0,1,0,0,0|2,0,0]=3 146 B13R1.412 CCC(CC)(OC)c1ccccc1 7a_200011218014_200000210301 [0,0,1,0,0,0|2,0,0]=3 147 B13R1.412 CCC(CC)(OC)c1cccnc1 7a_200011376159_200000210301 [0,0,1,0,0,0|3,0,0]=4 148 B13R1.412 CCC(CC)(O[13CH3])c1ccccc1 7a_200011218014_200025704644 [0,0,1,0,0,0|2,0,0]=3 149 B13R1.412 CCC(CC)(O[13CH3])c1cccnc1 7a_200011376159_200025704644 [0,0,1,0,0,0|3,0,0]=4 150 B13R2.2539 CNC1(CCC1)c2ccccc2 2230a_100000734848_200000210301 [0,0,0,0,1,0|2,0,0]=3 151 B13R2.2539 COC1(COC1)c2ccccc2 7a_100009829368_200000210301 [0,0,0,0,1,0|3,0,0]=4 152 B13R2.2539 [13CH3]NC1(CCC1)c2ccccc2 2230a_100000734848_200025704644 [0,0,0,0,1,0|2,0,0]=3 153 B13R2.2539 [13CH3]OC1(COC1)c2ccccc2 7a_100009829368_200025704644 [0,0,0,0,1,0|3,0,0]=4 154 B15R2.4135 CCC1(CCCC1)Nc2cccnn2 27a_100015183760_100016991348 [0,0,0,0,0,1|3,0,0]=4 155 B15R2.4135 CCC1(CCCC1)Nc2ccncn2 27a_100015183760_100000703185 [0,0,0,0,0,1|3,0,0]=4 156 B15R2.4135 CCC1(CCCC1)Nc2cnccn2 27a_100015183760_100000211759 [0,0,0,0,0,1|3,0,0]=4 157 B15R2.4135 CCC1(CCCC1)Nc2ncccn2 27a_100015183760_100000211032 [0,0,0,0,0,1|3,0,0]=4 158 B15R2.4135 OCC1(CCCC1)Nc2cccnn2 27a_100000749328_100016991348 [0,0,0,0,0,1|3,0,0]=4 159 B15R2.4135 OCC1(CCCC1)Nc2ccncn2 27a_100000749328_100000703185 [0,0,0,0,0,1|3,0,0]=4 160 B15R2.4135 OCC1(CCCC1)Nc2cnccn2 27a_100000749328_100000211759 [0,0,0,0,0,1|3,0,0]=4 161 B15R2.4135 OCC1(CCCC1)Nc2ncccn2 27a_100000749328_100000211032 [0,0,0,0,0,1|3,0,0]=4 162 B15R2.4980 CNC1(CCOCC1)c2ccccc2 2230a_100000754981_200000210301 [0,0,0,0,0,1|2,0,0]=3 163 B15R2.4980 CNC1(CCOCC1)c2ccccc2 34a_100000754981_200000210301 [0,0,0,0,0,1|2,0,0]=3 164 B15R2.4980 COC1(CCCCC1)c2ccccc2 34a_100011219906_200000210301 [0,0,0,0,0,1|2,0,0]=3 165 B15R2.4980 COC1(CCCCC1)c2ccccc2 7a_100011219906_200000210301 [0,0,0,0,0,1|2,0,0]=3 166 B15R2.4980 COC1(CCOCC1)c2ccccc2 34a_100000754853_200000210301 [0,0,0,0,0,1|2,0,0]=3 167 B15R2.4980 COC1(CCOCC1)c2ccccc2 7a_100000754853_200000210301 [0,0,0,0,0,1|2,0,0]=3 168 B15R2.4980 [13CH3]NC1(CCOCC1)c2ccccc2 2230a_100000754981_200025704644 [0,0,0,0,0,1|2,0,0]=3 169 B15R2.4980 [13CH3]NC1(CCOCC1)c2ccccc2 34a_100000754981_200025704644 [0,0,0,0,0,1|2,0,0]=3 170 B15R2.4980 [13CH3]OC1(CCCCC1)c2ccccc2 34a_100011219906_200025704644 [0,0,0,0,0,1|2,0,0]=3 171 B15R2.4980 [13CH3]OC1(CCCCC1)c2ccccc2 7a_100011219906_200025704644 [0,0,0,0,0,1|2,0,0]=3 172 B15R2.4980 [13CH3]OC1(CCOCC1)c2ccccc2 34a_100000754853_200025704644 [0,0,0,0,0,1|2,0,0]=3 173 B15R2.4980 [13CH3]OC1(CCOCC1)c2ccccc2 7a_100000754853_200025704644 [0,0,0,0,0,1|2,0,0]=3 174 B12R1.3 CCC(CNC)c1ccccc1 270004a_106832991635_100000753018 [1,0,1,0,0,0|2,0,0]=4 175 B12R1.3 CCC(COC)c1ccccc1 34a_100000752371_200000210301 [1,0,1,0,0,0|2,0,0]=4 176 B12R1.3 CCC(COC)c1ccccc1 7a_100000752371_200000210301 [1,0,1,0,0,0|2,0,0]=4 177 B12R1.3 CCC(CO[13CH3])c1ccccc1 34a_100000752371_200025704644 [1,0,1,0,0,0|2,0,0]=4 178 B12R1.3 CCC(CO[13CH3])c1ccccc1 7a_100000752371_200025704644 [1,0,1,0,0,0|2,0,0]=4 179 B12R1.3 CCCC(NC)c1ccccc1 2230a_100000189686_200000210301 [1,0,1,0,0,0|2,0,0]=4 180 B12R1.3 CCCC(NC)c1ccccc1 269862a_106832991636_100000211045 [1,0,1,0,0,0|2,0,0]=4 181 B12R1.3 CCCC(NC)c1ccccc1 34a_100000189686_200000210301 [1,0,1,0,0,0|2,0,0]=4 182 B12R1.3 CCCC(N[13CH3])c1ccccc1 2230a_100000189686_200025704644 [1,0,1,0,0,0|2,0,0]=4 183 B12R1.3 CCCC(N[13CH3])c1ccccc1 34a_100000189686_200025704644 [1,0,1,0,0,0|2,0,0]=4 184 B12R1.3 CCCC(OC)c1ccccc1 34a_100000747916_200000210301 [1,0,1,0,0,0|2,0,0]=4 185 B12R1.3 CCCC(OC)c1ccccc1 7a_100000747916_200000210301 [1,0,1,0,0,0|2,0,0]=4 186 B12R1.3 CCCC(O[13CH3])c1ccccc1 34a_100000747916_200025704644 [1,0,1,0,0,0|2,0,0]=4 187 B12R1.3 CCCC(O[13CH3])c1ccccc1 7a_100000747916_200025704644 [1,0,1,0,0,0|2,0,0]=4 188 B12R1.3 CCCN(CC)c1ccccc1 2230a_100000210013_100000210303 [1,0,1,0,0,0|2,0,0]=4 189 B12R1.3 CCCN(CC)c1ccccc1 2230a_200011218496_100000210202 [1,0,1,0,0,0|2,0,0]=4 190 B12R1.3 CCCN(CC)c1ccccc1 269982a_100000210013_100000210303 [1,0,1,0,0,0|2,0,0]=4 191 B12R1.3 CCCN(CC)c1ccccc1 269982a_200011218496_100000204670 [1,0,1,0,0,0|2,0,0]=4 192 B12R1.3 CCCN(CC)c1ccccc1 34a_100000210013_100000210303 [1,0,1,0,0,0|2,0,0]=4 193 B12R1.3 CCCN(CC)c1ccccc1 34a_200011218496_100000210202 [1,0,1,0,0,0|2,0,0]=4 194 B12R1.3 CCCN(CF)c1ccccc1 269982a_200011218496_100015361967 [1,0,1,0,0,0|2,0,0]=4 195 B12R1.3 CCCN(CF)c1ccccc1 34a_200011218496_100015361967 [1,0,1,0,0,0|2,0,0]=4 196 B12R1.3 CCNC(CC)c1ccccc1 2230a_100000737752_100000210202 [1,0,1,0,0,0|2,0,0]=4 197 B12R1.3 CCNC(CC)c1ccccc1 269862a_100015525214_100000210124 [1,0,1,0,0,0|2,0,0]=4 198 B12R1.3 CCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210202 [1,0,1,0,0,0|2,0,0]=4 199 B12R1.3 CCN[C@H](CO)c1ccccc1 34a_100000751927_100000210202 [1,0,1,0,0,0|2,0,0]=4 200 B12R1.3 CCOC(CBr)c1ccccc1 7a_100000185958_100000210202 [1,0,1,0,0,0|2,0,0]=4 201 B12R1.3 CCOC(CC)c1ccccc1 34a_100000698172_100000210202 [1,0,1,0,0,0|2,0,0]=4 202 B12R1.3 CCOC(CC)c1ccccc1 7a_100000698172_100000210202 [1,0,1,0,0,0|2,0,0]=4 203 B12R1.3 CCOC(CN)c1ccccc1 34a_100000210709_100000210202 [1,0,1,0,0,0|1,0,0]=3 204 B12R1.3 CCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210202 [1,0,1,0,0,0|2,0,0]=4 205 B12R1.3 CCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210202 [1,0,1,0,0,0|2,0,0]=4 206 B12R1.3 NCC(OCF)c1ccccc1 34a_100000210709_100015361967 [1,0,1,0,0,0|2,0,0]=4 207 B12R1.30 CC(CNCF)c1ccccc1 34a_100000701038_100015361967 [1,0,1,0,0,0|2,0,0]=4 208 B12R1.30 CC(COCF)c1ccccc1 34a_100011215166_100015361967 [1,0,1,0,0,0|2,0,0]=4 209 B12R1.30 CC(COCF)c1ccccc1 7a_100011215166_100015361967 [1,0,1,0,0,0|2,0,0]=4 210 B12R1.30 CC(CSCF)c1ccccc1 62a_100000756946_100015361967 [1,0,1,0,0,0|2,0,0]=4 211 B12R1.30 CC(CSCF)c1ccccc1 62a_100015361967_100000756946 [1,0,1,0,0,0|2,0,0]=4 212 B12R1.30 CC(NCCF)c1ccccc1 269862a_100000724931_100000185851 [1,0,1,0,0,0|2,0,0]=4 213 B12R1.30 CC(NCCF)c1ccccc1 34a_100000724931_100000211855 [1,0,1,0,0,0|2,0,0]=4 214 B12R1.30 CC(NCCO)c1ccccc1 2230a_100016997473_100000230085 [1,0,1,0,0,0|2,0,0]=4 215 B12R1.30 CC(NCCO)c1ccccc1 269862a_100000210304_100000185851 [1,0,1,0,0,0|2,0,0]=4 216 B12R1.30 CC(NCCO)c1ccccc1 34a_100016990907_100000211855 [1,0,1,0,0,0|2,0,0]=4 217 B12R1.30 CC(OCCBr)c1ccccc1 34a_100000211926_100000211855 [1,0,1,0,0,0|2,0,0]=4 218 B12R1.30 CC(OCCN)c1ccccc1 34a_100000210304_100000211855 [1,0,1,0,0,0|2,0,0]=4 219 B12R1.30 CC(SCCF)c1ccccc1 62a_100000230085_100011217306 [1,0,1,0,0,0|2,0,0]=4 220 B12R1.30 CC(SCCF)c1ccccc1 62a_100011217306_100000230085 [1,0,1,0,0,0|2,0,0]=4 221 B12R1.30 CC(SCCO)c1ccccc1 62a_100000211926_100000230085 [1,0,1,0,0,0|2,0,0]=4 222 B12R1.30 CC(SCCO)c1ccccc1 62a_100000230085_100000211926 [1,0,1,0,0,0|2,0,0]=4 223 B12R1.30 CCCCC(=O)c1ccccc1 1458a_100000185807_100000210211 [1,0,1,0,0,0|1,0,1]=4 224 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000210012_100000210211 [1,0,1,0,0,0|1,0,0]=3 225 B12R1.30 CCCCN(C)c1ccccc1 2230a_100000211623_200000210301 [1,0,1,0,0,0|1,0,0]=3 226 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000210012_100000210211 [1,0,1,0,0,0|1,0,0]=3 227 B12R1.30 CCCCN(C)c1ccccc1 269982a_100000211623_200000210301 [1,0,1,0,0,0|1,0,0]=3 228 B12R1.30 CCCCN(C)c1ccccc1 34a_100000210012_100000210210 [1,0,1,0,0,0|1,0,0]=3 229 B12R1.30 CCCCN(C)c1ccccc1 34a_100000211623_200000210301 [1,0,1,0,0,0|1,0,0]=3 230 B12R1.30 CCCCN([13CH3])c1ccccc1 2230a_100000211623_200025704644 [1,0,1,0,0,0|1,0,0]=3 231 B12R1.30 CCCCN([13CH3])c1ccccc1 269982a_100000211623_200025704644 [1,0,1,0,0,0|1,0,0]=3 232 B12R1.30 CCCCN([13CH3])c1ccccc1 34a_100000211623_200025704644 [1,0,1,0,0,0|1,0,0]=3 233 B12R1.30 CCCNC(C)c1ccccc1 269862a_100020643023_100000185851 [1,0,1,0,0,0|1,0,0]=3 234 B12R1.30 CCCNC(C)c1ccccn1 2230a_100000181244_100000210303 [1,0,1,0,0,0|2,0,0]=4 235 B12R1.30 CCCNC(C)c1ccccn1 269862a_100020643023_100000210467 [1,0,1,0,0,0|2,0,0]=4 236 B12R1.30 CCCNC(C)c1cccnc1 2230a_100000195435_100000210303 [1,0,1,0,0,0|2,0,0]=4 237 B12R1.30 CCCNC(C)c1cccnc1 269862a_100020643023_100000210468 [1,0,1,0,0,0|2,0,0]=4 238 B12R1.30 CCCNC(C)c1ccncc1 2230a_100000181269_100000210303 [1,0,1,0,0,0|2,0,0]=4 239 B12R1.30 CCCNC(C)c1ccncc1 269862a_100020643023_100000185792 [1,0,1,0,0,0|2,0,0]=4 240 B12R1.30 CCCN[C@H](C)c1ccccc1 2230a_100000751104_100000210303 [1,0,1,0,0,0|1,0,0]=3 241 B12R1.30 CCCOC(C)c1ccccc1 34a_100000210258_100000211855 [1,0,1,0,0,0|1,0,0]=3 242 B12R1.30 CCCO[C@H](C)c1ccccc1 34a_100000761318_100000210303 [1,0,1,0,0,0|1,0,0]=3 243 B12R1.30 CCCO[C@H](C)c1ccccc1 7a_100000761318_100000210303 [1,0,1,0,0,0|1,0,0]=3 244 B12R1.30 CCCSC(C)c1ccccc1 62a_100000210303_100000230085 [1,0,1,0,0,0|1,0,0]=3 245 B12R1.30 CCCSC(C)c1ccccc1 62a_100000230085_100000210303 [1,0,1,0,0,0|1,0,0]=3 246 B12R1.30 CCNCC(C)c1ccccc1 2230a_100000701038_100000210202 [1,0,1,0,0,0|1,0,0]=3 247 B12R1.30 CCNCC(C)c1ccccc1 2230a_100015525214_100000756946 [1,0,1,0,0,0|1,0,0]=3 248 B12R1.30 CCNCC(C)c1ccccc1 270004a_100015525214_100000212034 [1,0,1,0,0,0|1,0,0]=3 249 B12R1.30 CCNCC(C)c1ccccc1 34a_100000701038_100000210202 [1,0,1,0,0,0|1,0,0]=3 250 B12R1.30 CCNCC(O)c1ccccc1 2230a_100000210709_100000210202 [1,0,1,0,0,0|2,0,0]=4 251 B12R1.30 CCNCC(O)c1ccccc1 2230a_100015525214_100000185958 [1,0,1,0,0,0|2,0,0]=4 252 B12R1.30 CCNC[C@@H](O)c1ccccc1 2230a_100015525214_100011933945 [1,0,1,0,0,0|2,0,0]=4 253 B12R1.30 CCOCC(C)c1ccccc1 34a_100011215166_100000210202 [1,0,1,0,0,0|1,0,0]=3 254 B12R1.30 CCOCC(C)c1ccccc1 34a_100121572206_100000756946 [1,0,1,0,0,0|1,0,0]=3 255 B12R1.30 CCOCC(C)c1ccccc1 7a_100011215166_100000210202 [1,0,1,0,0,0|1,0,0]=3 256 B12R1.30 CCOCC(O)c1ccccc1 34a_100121572206_100000185958 [1,0,1,0,0,0|2,0,0]=4 257 B12R1.30 CCOCN(C)c1ccccc1 269982a_100000210012_100000739092 [1,0,1,0,0,0|2,0,0]=4 258 B12R1.30 CCOC[C@@H](N)c1ccccc1 34a_100000751927_100000210202 [1,0,1,0,0,0|1,0,0]=3 259 B12R1.30 CCOC[C@@H](N)c1ccncc1 34a_100138412524_100000210202 [1,0,1,0,0,0|2,0,0]=4 260 B12R1.30 CCOC[C@@H](O)c1ccccc1 34a_100121572206_100011933945 [1,0,1,0,0,0|2,0,0]=4 261 B12R1.30 CCSCC(C)c1ccccc1 62a_100000210202_100000756946 [1,0,1,0,0,0|1,0,0]=3 262 B12R1.30 CCSCC(C)c1ccccc1 62a_100000756946_100000210202 [1,0,1,0,0,0|1,0,0]=3 263 B12R1.30 CCSCC(O)c1ccccc1 62a_100000185958_100000210202 [1,0,1,0,0,0|2,0,0]=4 264 B12R1.30 CCSCC(O)c1ccccc1 62a_100000210202_100000185958 [1,0,1,0,0,0|2,0,0]=4 265 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100000210202_100011933945 [1,0,1,0,0,0|2,0,0]=4 266 B12R1.30 CCSC[C@@H](O)c1ccccc1 62a_100011933945_100000210202 [1,0,1,0,0,0|2,0,0]=4 267 B12R1.30 CN(CCCF)c1ccccc1 2230a_100000210012_100011934791 [1,0,1,0,0,0|2,0,0]=4 268 B12R1.30 CN(CCCF)c1ccccc1 269982a_100000210012_100011934791 [1,0,1,0,0,0|2,0,0]=4 269 B12R1.30 CN(CCCF)c1ccccc1 34a_100000210012_100011934791 [1,0,1,0,0,0|2,0,0]=4 270 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000210012_100000230001 [1,0,1,0,0,0|2,0,0]=4 271 B12R1.30 CN(CCCO)c1ccccc1 2230a_100000212590_200000210301 [1,0,1,0,0,0|2,0,0]=4 272 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000210012_100011215043 [1,0,1,0,0,0|2,0,0]=4 273 B12R1.30 CN(CCCO)c1ccccc1 269982a_100000212590_200000210301 [1,0,1,0,0,0|2,0,0]=4 274 B12R1.30 CN(CCCO)c1ccccc1 34a_100000210012_100000230001 [1,0,1,0,0,0|2,0,0]=4 275 B12R1.30 CN(CCCO)c1ccccc1 34a_100000212590_200000210301 [1,0,1,0,0,0|2,0,0]=4 276 B12R1.30 CNCCC(C)c1ccccc1 270004a_106832991635_100000189432 [1,0,1,0,0,0|1,0,0]=3 277 B12R1.30 CNCCC(O)c1ccccc1 2230a_100000763605_200000210301 [1,0,1,0,0,0|2,0,0]=4 278 B12R1.30 CNCC[C@@H](O)c1ccccc1 2230a_106832991635_100000729684 [1,0,1,0,0,0|2,0,0]=4 279 B12R1.30 CNCC[C@@H](O)c1ccccc1 34a_100102657272_100000729684 [1,0,1,0,0,0|2,0,0]=4 280 B12R1.30 CNCC[C@@H](O)c1ccccc1 7a_106832991635_100000729684 [1,0,1,0,0,0|2,0,0]=4 281 B12R1.30 COCCN(C)c1ccccc1 2230a_100000210012_100011201679 [1,0,1,0,0,0|2,0,0]=4 282 B12R1.30 COCCN(C)c1ccccc1 269982a_100000210012_100000233755 [1,0,1,0,0,0|2,0,0]=4 283 B12R1.30 COCCN(C)c1ccccc1 34a_100000210012_100011201679 [1,0,1,0,0,0|2,0,0]=4 284 B12R1.30 COCC[C@@H](O)c1ccccc1 34a_100138415774_100000729684 [1,0,1,0,0,0|2,0,0]=4 285 B12R1.30 COCC[C@H](N)c1ccccc1 34a_100025705951_200000210301 [1,0,1,0,0,0|1,0,0]=3 286 B12R1.30 COCN[C@H](C)c1ccccc1 2230a_100000751104_100000766300 [1,0,1,0,0,0|2,0,0]=4 287 B12R1.30 COCSC(C)c1ccccc1 62a_100000230085_100000766300 [1,0,1,0,0,0|2,0,0]=4 288 B12R1.30 COCSC(C)c1ccccc1 62a_100000766300_100000230085 [1,0,1,0,0,0|2,0,0]=4 289 B12R1.30 CSCCN(C)c1ccccc1 2230a_100000210012_100000751147 [1,0,1,0,0,0|2,0,0]=4 290 B12R1.30 CSCCN(C)c1ccccc1 269982a_100000210012_100000212216 [1,0,1,0,0,0|2,0,0]=4 291 B12R1.30 CSCCN(C)c1ccccc1 34a_100000210012_100000212216 [1,0,1,0,0,0|2,0,0]=4 292 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_100000729684_200000210301 [1,0,1,0,0,0|2,0,0]=4 293 B12R1.30 CSCC[C@@H](O)c1ccccc1 62a_200000210301_100000729684 [1,0,1,0,0,0|2,0,0]=4 294 B12R1.30 CSCN[C@H](C)c1ccccc1 2230a_100000751104_100011218213 [1,0,1,0,0,0|2,0,0]=4 295 B12R1.30 CSCO[C@H](C)c1ccccc1 34a_100000761318_100011218213 [1,0,1,0,0,0|2,0,0]=4 296 B12R1.30 CSCSC(C)c1ccccc1 62a_100000230085_100011218213 [1,0,1,0,0,0|2,0,0]=4 297 B12R1.30 CSCSC(C)c1ccccc1 62a_100011218213_100000230085 [1,0,1,0,0,0|2,0,0]=4 298 B12R1.30 C[C@@H](NCCF)c1ccccc1 2230a_100000751104_100011217306 [1,0,1,0,0,0|2,0,0]=4 299 B12R1.30 C[C@@H](NCCO)c1ccccc1 2230a_100000751104_100000211926 [1,0,1,0,0,0|2,0,0]=4 300 B12R1.30 C[C@@H](OCCF)c1ccccc1 34a_100000761318_100011217306 [1,0,1,0,0,0|2,0,0]=4 301 B12R1.30 C[C@@H](OCCF)c1ccccc1 7a_100000761318_100011217306 [1,0,1,0,0,0|2,0,0]=4 302 B12R1.30 C[C@@H](OCCO)c1ccccc1 34a_100000761318_100000211926 [1,0,1,0,0,0|2,0,0]=4 303 B12R1.30 C[C@@H](OCCO)c1ccccc1 7a_100000761318_100000211926 [1,0,1,0,0,0|2,0,0]=4 304 B12R1.30 N[C@H](COCF)c1ccccc1 34a_100000751927_100015361967 [1,0,1,0,0,0|2,0,0]=4 305 B12R1.30 [13CH3]N(CCCO)c1ccccc1 2230a_100000212590_200025704644 [1,0,1,0,0,0|2,0,0]=4 306 B12R1.30 [13CH3]N(CCCO)c1ccccc1 269982a_100000212590_200025704644 [1,0,1,0,0,0|2,0,0]=4 307 B12R1.30 [13CH3]N(CCCO)c1ccccc1 34a_100000212590_200025704644 [1,0,1,0,0,0|2,0,0]=4 308 B12R1.30 [13CH3]NCCC(O)c1ccccc1 2230a_100000763605_200025704644 [1,0,1,0,0,0|2,0,0]=4 309 B12R1.30 [13CH3]OCC[C@H](N)c1ccccc1 34a_100025705951_200025704644 [1,0,1,0,0,0|1,0,0]=3 310 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_100000729684_200025704644 [1,0,1,0,0,0|2,0,0]=4 311 B12R1.30 [13CH3]SCC[C@@H](O)c1ccccc1 62a_200025704644_100000729684 [1,0,1,0,0,0|2,0,0]=4 312 B12R1.39 CC(C)(CN[13CH3])c1ccccc1 2230a_100011211644_200025704644 [1,0,1,0,0,0|1,0,0]=3 313 B12R1.39 CC(C)(CO[13CH3])c1ccccc1 7a_100000747608_200025704644 [1,0,1,0,0,0|1,0,0]=3 314 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_100000703224_200025704644 [1,0,1,0,0,0|1,0,0]=3 315 B12R1.39 CC(C)(CS[13CH3])c1ccccc1 62a_200025704644_100000703224 [1,0,1,0,0,0|1,0,0]=3 316 B12R1.39 CC(C)(OCF)c1ccccc1 7a_100000694644_100015361967 [1,0,1,0,0,0|2,0,0]=4 317 B12R1.39 CC(C)(SCF)c1ccccc1 62a_100000034625_100015361967 [1,0,1,0,0,0|2,0,0]=4 318 B12R1.39 CC(C)(SCF)c1ccccc1 62a_100015361967_100000034625 [1,0,1,0,0,0|2,0,0]=4 319 B12R1.39 CC(O)(CN[13CH3])c1ccccc1 2230a_100011660926_200025704644 [1,0,1,0,0,0|2,0,0]=4 320 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100011218174_100000210202 [1,0,1,0,0,0|1,0,0]=3 321 B12R1.39 CCNC(C)(C)c1ccccc1 2230a_100015525214_100000034625 [1,0,1,0,0,0|1,0,0]=3 322 B12R1.39 CCNC(C)(C)c1ccccn1 2230a_100011999416_100000210202 [1,0,1,0,0,0|2,0,0]=4 323 B12R1.39 CCNC(C)(C)c1cccnc1 2230a_100011376175_100000210202 [1,0,1,0,0,0|2,0,0]=4 324 B12R1.39 CCOC(C)(C)c1ccccc1 7a_100000694644_100000210202 [1,0,1,0,0,0|1,0,0]=3 325 B12R1.39 CCOC(C)(C)c1ccccn1 7a_100000041474_100000210202 [1,0,1,0,0,0|2,0,0]=4 326 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000034625_100000210202 [1,0,1,0,0,0|1,0,0]=3 327 B12R1.39 CCSC(C)(C)c1ccccc1 62a_100000210202_100000034625 [1,0,1,0,0,0|1,0,0]=3 328 B12R1.39 CNCC(C)(C)c1ccccc1 2230a_100011211644_200000210301 [1,0,1,0,0,0|1,0,0]=3 329 B12R1.39 CNCC(C)(O)c1ccccc1 2230a_100011660926_200000210301 [1,0,1,0,0,0|2,0,0]=4 330 B12R1.39 CNC[Si](C)(C)c1ccccc1 2230a_106832991635_100000038972 [1,0,1,0,0,0|1,1,0]=4 331 B12R1.39 CNC[Si](C)(C)c1ccccc1 7a_106832991635_100000038972 [1,0,1,0,0,0|1,1,0]=4 332 B12R1.39 COCC(C)(C)c1ccccc1 7a_100000747608_200000210301 [1,0,1,0,0,0|1,0,0]=3 333 B12R1.39 CSCC(C)(C)c1ccccc1 62a_100000703224_200000210301 [1,0,1,0,0,0|1,0,0]=3 334 B12R1.39 CSCC(C)(C)c1ccccc1 62a_200000210301_100000703224 [1,0,1,0,0,0|1,0,0]=3 335 B12R1.39 CSC[Si](C)(C)c1ccccc1 62a_100000038972_200000210301 [1,0,1,0,0,0|1,1,0]=4 336 B12R1.39 CSC[Si](C)(C)c1ccccc1 62a_200000210301_100000038972 [1,0,1,0,0,0|1,1,0]=4 337 B12R1.39 C[Si](C)(CS[13CH3])c1ccccc1 62a_100000038972_200025704644 [1,0,1,0,0,0|1,1,0]=4 338 B12R1.39 C[Si](C)(CS[13CH3])c1ccccc1 62a_200025704644_100000038972 [1,0,1,0,0,0|1,1,0]=4 339 B12R1.475 CCC(C)(OC)c1ccccc1 7a_100000748282_200000210301 [1,0,1,0,0,0|1,0,0]=3 340 B12R1.475 CCC(C)(O[13CH3])c1ccccc1 7a_100000748282_200025704644 [1,0,1,0,0,0|1,0,0]=3 341 B12R2.2 C1=C(CCC1)c2ccccc2 271570a_100000089523_100000210277 [2,0,0,0,0,0|0,0,2]=4 342 B14R1.21 CCCCC(NC)c1ccc(cc1)Br 269862a_106832991636_100011215321 [0,1,1,0,0,0|2,0,0]=4 343 B14R1.21 CCCCC(NC)c1ccc(cc1)C 269862a_106832991636_100011268017 [0,1,1,0,0,0|2,0,0]=4 344 B14R1.21 CCCCC(NC)c1ccc(cc1)Cl 2230a_102515440625_200000210301 [0,1,1,0,0,0|2,0,0]=4 345 B14R1.21 CCCCC(NC)c1ccc(cc1)Cl 269862a_106832991636_100011215968 [0,1,1,0,0,0|2,0,0]=4 346 B14R1.21 CCCCC(NC)c1ccc(cc1)Cl 34a_102515440625_200000210301 [0,1,1,0,0,0|2,0,0]=4 347 B14R1.21 CCCCC(NC)c1ccc(cc1)F 269862a_106832991636_100000211496 [0,1,1,0,0,0|2,0,0]=4 348 B14R1.21 CCCCC(N[13CH3])c1ccc(cc1)Cl 2230a_102515440625_200025704644 [0,1,1,0,0,0|2,0,0]=4 349 B14R1.21 CCCCC(N[13CH3])c1ccc(cc1)Cl 34a_102515440625_200025704644 [0,1,1,0,0,0|2,0,0]=4 350 B14R1.21 CCCCN(CC)c1ccc(cc1)Br 2230a_100000219632_100000210211 [0,1,1,0,0,0|2,0,0]=4 351 B14R1.21 CCCCN(CC)c1ccc(cc1)Br 269982a_100000219632_100000210211 [0,1,1,0,0,0|2,0,0]=4 352 B14R1.21 CCCCN(CC)c1ccc(cc1)Br 34a_100000219632_100000210210 [0,1,1,0,0,0|2,0,0]=4 353 B14R1.21 CCCCN(CC)c1ccc(cc1)C 2230a_100000219985_100000210211 [0,1,1,0,0,0|2,0,0]=4 354 B14R1.21 CCCCN(CC)c1ccc(cc1)C 269982a_100000219985_100000210211 [0,1,1,0,0,0|2,0,0]=4 355 B14R1.21 CCCCN(CC)c1ccc(cc1)C 34a_100000219985_100000210210 [0,1,1,0,0,0|2,0,0]=4 356 B14R1.21 CCCCN(CC)c1ccc(cc1)Cl 2230a_100000220165_100000210211 [0,1,1,0,0,0|2,0,0]=4 357 B14R1.21 CCCCN(CC)c1ccc(cc1)Cl 269982a_100000220165_100000210211 [0,1,1,0,0,0|2,0,0]=4 358 B14R1.21 CCCCN(CC)c1ccc(cc1)Cl 34a_100000220165_100000210210 [0,1,1,0,0,0|2,0,0]=4 359 B14R1.21 CCCCN(CC)c1ccc(cc1)F 2230a_100102640331_100000210211 [0,1,1,0,0,0|2,0,0]=4 360 B14R1.21 CCCCN(CC)c1ccc(cc1)F 269982a_100102640331_100000210211 [0,1,1,0,0,0|2,0,0]=4 361 B14R1.21 CCCCN(CC)c1ccc(cc1)F 34a_100102640331_100000210210 [0,1,1,0,0,0|2,0,0]=4 362 B14R1.21 CCCCN(CC)c1ccc(cc1)O 2230a_100011337800_100000210211 [0,1,1,0,0,0|2,0,0]=4 363 B14R1.21 CCCCN(CC)c1ccc(cc1)O 269982a_100011337800_100000210211 [0,1,1,0,0,0|2,0,0]=4 364 B14R1.21 CCCCN(CC)c1ccc(cc1)O 34a_100011337800_100000210210 [0,1,1,0,0,0|2,0,0]=4 365 B14R1.21 CCCNC(CC)c1ccc(cc1)Br 269862a_100020643023_100000211647 [0,1,1,0,0,0|2,0,0]=4 366 B14R1.21 CCCNC(CC)c1ccc(cc1)C 2230a_100000749201_100000210303 [0,1,1,0,0,0|2,0,0]=4 367 B14R1.21 CCCNC(CC)c1ccc(cc1)C 269862a_100020643023_100000185863 [0,1,1,0,0,0|2,0,0]=4 368 B14R1.21 CCCNC(CC)c1ccc(cc1)C 34a_100000749201_100000210303 [0,1,1,0,0,0|2,0,0]=4 369 B14R1.21 CCCNC(CC)c1ccc(cc1)Cl 269862a_100020643023_100000210983 [0,1,1,0,0,0|2,0,0]=4 370 B14R1.21 CCCNC(CC)c1ccc(cc1)F 2230a_100011191751_100000210303 [0,1,1,0,0,0|2,0,0]=4 371 B14R1.21 CCCNC(CC)c1ccc(cc1)F 269862a_100020643023_100000211089 [0,1,1,0,0,0|2,0,0]=4 372 B14R1.21 CCCNC(CC)c1ccc(cc1)F 34a_100011191751_100000210303 [0,1,1,0,0,0|2,0,0]=4 373 B14R1.21 CCCNC(CC)c1ccc(cc1)I 269862a_100020643023_100000763097 [0,1,1,0,0,0|2,0,0]=4 374 B14R1.21 CCCNC(CC)c1ccc(cc1)O 34a_100015187210_100000210303 [0,1,1,0,0,0|2,0,0]=4 375 B14R1.21 CCCNC(CO)c1ccc(cc1)Br 2230a_100000734186_100000210303 [0,1,1,0,0,0|2,0,0]=4 376 B14R1.21 CCCNC(CO)c1ccc(cc1)Br 34a_100000734186_100000210303 [0,1,1,0,0,0|2,0,0]=4 377 B14R1.21 CCCNC(CO)c1ccc(cc1)F 2230a_100000705410_100000210303 [0,1,1,0,0,0|2,0,0]=4 378 B14R1.21 CCCNC(CO)c1ccc(cc1)F 34a_100000705410_100000210303 [0,1,1,0,0,0|2,0,0]=4 379 B14R1.21 CCCN[C@@H](CC)c1ccc(cc1)Br 2230a_100025736560_100000210303 [0,1,1,0,0,0|2,0,0]=4 380 B14R1.21 CCCN[C@@H](CC)c1ccc(cc1)Br 34a_100025736560_100000210303 [0,1,1,0,0,0|2,0,0]=4 381 B14R1.21 CCCN[C@@H](CC)c1ccc(cc1)Cl 2230a_100015186824_100000210303 [0,1,1,0,0,0|2,0,0]=4 382 B14R1.21 CCCN[C@@H](CC)c1ccc(cc1)Cl 34a_100015186824_100000210303 [0,1,1,0,0,0|2,0,0]=4 383 B14R1.21 CCCN[C@@H](CO)c1ccc(cc1)C 2230a_100009818840_100000210303 [0,1,1,0,0,0|2,0,0]=4 384 B14R1.21 CCCN[C@@H](CO)c1ccc(cc1)C 34a_100009818840_100000210303 [0,1,1,0,0,0|2,0,0]=4 385 B14R1.21 CCCN[C@H](CO)c1ccc(cc1)Cl 2230a_100009818818_100000210303 [0,1,1,0,0,0|2,0,0]=4 386 B14R1.21 CCCN[C@H](CO)c1ccc(cc1)Cl 34a_100009818818_100000210303 [0,1,1,0,0,0|2,0,0]=4 387 B14R1.21 CCCOC(CC)c1ccc(cc1)Br 34a_100000246506_100000210303 [0,1,1,0,0,0|2,0,0]=4 388 B14R1.21 CCCOC(CC)c1ccc(cc1)Br 7a_100000246506_100000210303 [0,1,1,0,0,0|2,0,0]=4 389 B14R1.21 CCCOC(CC)c1ccc(cc1)C 34a_100000246521_100000210303 [0,1,1,0,0,0|2,0,0]=4 390 B14R1.21 CCCOC(CC)c1ccc(cc1)C 7a_100000246521_100000210303 [0,1,1,0,0,0|2,0,0]=4 391 B14R1.21 CCCOC(CC)c1ccc(cc1)Cl 34a_100000246471_100000210303 [0,1,1,0,0,0|2,0,0]=4 392 B14R1.21 CCCOC(CC)c1ccc(cc1)Cl 7a_100000246471_100000210303 [0,1,1,0,0,0|2,0,0]=4 393 B14R1.21 CCCOC(CC)c1ccc(cc1)F 34a_100000246474_100000210303 [0,1,1,0,0,0|2,0,0]=4 394 B14R1.21 CCCOC(CC)c1ccc(cc1)F 7a_100000246474_100000210303 [0,1,1,0,0,0|2,0,0]=4 395 B14R1.21 CCCOC(CCl)c1ccc(cc1)Cl 34a_200011996143_100000210303 [0,1,1,0,0,0|2,0,0]=4 396 B14R1.21 CCCOC(CCl)c1ccc(cc1)Cl 7a_200011996143_100000210303 [0,1,1,0,0,0|2,0,0]=4 397 B14R1.21 CCCOC(CN)c1ccc(cc1)Br 34a_100020626992_100000210303 [0,1,1,0,0,0|1,0,0]=3 398 B14R1.21 CCCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100000210303 [0,1,1,0,0,0|1,0,0]=3 399 B14R1.21 CCCO[C@@H](CCl)c1ccc(cc1)F 34a_100000720402_100000210303 [0,1,1,0,0,0|2,0,0]=4 400 B14R1.21 CCCO[C@@H](CCl)c1ccc(cc1)F 7a_100000720402_100000210303 [0,1,1,0,0,0|2,0,0]=4 401 B14R1.21 CSCOC(CN)c1ccc(cc1)Br 34a_100020626992_100011218213 [0,1,1,0,0,0|2,0,0]=4 402 B14R1.21 CSCOC(CN)c1ccc(cc1)Cl 34a_100000736658_100011218213 [0,1,1,0,0,0|2,0,0]=4 403 B14R1.21 NCC(OCCF)c1ccc(cc1)Br 34a_100020626992_100011217306 [0,1,1,0,0,0|2,0,0]=4 404 B14R1.21 NCC(OCCF)c1ccc(cc1)Cl 34a_100000736658_100011217306 [0,1,1,0,0,0|2,0,0]=4 405 B14R1.21 NCC(OCCO)c1ccc(cc1)Br 34a_100020626992_100000211926 [0,1,1,0,0,0|2,0,0]=4 406 B14R1.21 NCC(OCCO)c1ccc(cc1)Cl 34a_100000736658_100000211926 [0,1,1,0,0,0|2,0,0]=4 407 B14R1.22 CCCCC(NC)c1cccc(c1)F 2230a_100015203083_200000210301 [0,1,1,0,0,0|2,0,0]=4 408 B14R1.22 CCCCC(NC)c1cccc(c1)F 34a_100015203083_200000210301 [0,1,1,0,0,0|2,0,0]=4 409 B14R1.22 CCCCC(N[13CH3])c1cccc(c1)F 2230a_100015203083_200025704644 [0,1,1,0,0,0|2,0,0]=4 410 B14R1.22 CCCCC(N[13CH3])c1cccc(c1)F 34a_100015203083_200025704644 [0,1,1,0,0,0|2,0,0]=4 411 B14R1.22 CCCCN(CC)c1cccc(c1)Br 2230a_100000738899_100000210211 [0,1,1,0,0,0|2,0,0]=4 412 B14R1.22 CCCCN(CC)c1cccc(c1)Br 269982a_100000738899_100000210211 [0,1,1,0,0,0|2,0,0]=4 413 B14R1.22 CCCCN(CC)c1cccc(c1)Br 34a_100000738899_100000210210 [0,1,1,0,0,0|2,0,0]=4 414 B14R1.22 CCCCN(CC)c1cccc(c1)C 2230a_100000182157_100000210211 [0,1,1,0,0,0|2,0,0]=4 415 B14R1.22 CCCCN(CC)c1cccc(c1)C 269982a_100000182157_100000210211 [0,1,1,0,0,0|2,0,0]=4 416 B14R1.22 CCCCN(CC)c1cccc(c1)C 34a_100000182157_100000210210 [0,1,1,0,0,0|2,0,0]=4 417 B14R1.22 CCCCN(CC)c1cccc(c1)C 7a_100000182157_100000210211 [0,1,1,0,0,0|2,0,0]=4 418 B14R1.22 CCCCN(CC)c1cccc(c1)O 2230a_100000717746_100000210211 [0,1,1,0,0,0|2,0,0]=4 419 B14R1.22 CCCCN(CC)c1cccc(c1)O 269982a_100000717746_100000210211 [0,1,1,0,0,0|2,0,0]=4 420 B14R1.22 CCCCN(CC)c1cccc(c1)O 34a_100000717746_100000210210 [0,1,1,0,0,0|2,0,0]=4 421 B14R1.22 CCCNC(CC)c1cccc(c1)Br 269862a_100020643023_100000211677 [0,1,1,0,0,0|2,0,0]=4 422 B14R1.22 CCCNC(CC)c1cccc(c1)C 269862a_100020643023_100000730664 [0,1,1,0,0,0|2,0,0]=4 423 B14R1.22 CCCNC(CC)c1cccc(c1)Cl 2230a_100000737531_100000210303 [0,1,1,0,0,0|2,0,0]=4 424 B14R1.22 CCCNC(CC)c1cccc(c1)Cl 269862a_100020643023_100000211052 [0,1,1,0,0,0|2,0,0]=4 425 B14R1.22 CCCNC(CC)c1cccc(c1)Cl 34a_100000737531_100000210303 [0,1,1,0,0,0|2,0,0]=4 426 B14R1.22 CCCNC(CC)c1cccc(c1)F 2230a_100159265421_100000210303 [0,1,1,0,0,0|2,0,0]=4 427 B14R1.22 CCCNC(CC)c1cccc(c1)F 269862a_100020643023_100000687998 [0,1,1,0,0,0|2,0,0]=4 428 B14R1.22 CCCNC(CC)c1cccc(c1)F 34a_100159265421_100000210303 [0,1,1,0,0,0|2,0,0]=4 429 B14R1.22 CCCNC(CC)c1cccc(c1)O 2230a_100159312145_100000210303 [0,1,1,0,0,0|2,0,0]=4 430 B14R1.22 CCCNC(CC)c1cccc(c1)O 269862a_100020643023_100011996911 [0,1,1,0,0,0|2,0,0]=4 431 B14R1.22 CCCNC(CC)c1cccc(c1)O 34a_100159312145_100000210303 [0,1,1,0,0,0|2,0,0]=4 432 B14R1.22 CCCNC(CO)c1cccc(c1)Br 2230a_100000690078_100000210303 [0,1,1,0,0,0|2,0,0]=4 433 B14R1.22 CCCNC(CO)c1cccc(c1)Br 34a_100000690078_100000210303 [0,1,1,0,0,0|2,0,0]=4 434 B14R1.22 CCCNC(CO)c1cccc(c1)O 2230a_100025717460_100000210303 [0,1,1,0,0,0|2,0,0]=4 435 B14R1.22 CCCNC(CO)c1cccc(c1)O 34a_100025717460_100000210303 [0,1,1,0,0,0|2,0,0]=4 436 B14R1.22 CCCN[C@@H](CC)c1cccc(c1)Br 2230a_100102422761_100000210303 [0,1,1,0,0,0|2,0,0]=4 437 B14R1.22 CCCN[C@@H](CC)c1cccc(c1)Br 34a_100102422761_100000210303 [0,1,1,0,0,0|2,0,0]=4 438 B14R1.22 CCCN[C@@H](CO)c1cccc(c1)Cl 2230a_100032004910_100000210303 [0,1,1,0,0,0|2,0,0]=4 439 B14R1.22 CCCN[C@@H](CO)c1cccc(c1)Cl 34a_100032004910_100000210303 [0,1,1,0,0,0|2,0,0]=4 440 B14R1.22 CCCN[C@H](CC)c1cccc(c1)C 2230a_200016991486_100000210303 [0,1,1,0,0,0|2,0,0]=4 441 B14R1.22 CCCN[C@H](CC)c1cccc(c1)C 34a_200016991486_100000210303 [0,1,1,0,0,0|2,0,0]=4 442 B14R1.22 CCCN[C@H](CO)c1cccc(c1)C 2230a_100009818812_100000210303 [0,1,1,0,0,0|2,0,0]=4 443 B14R1.22 CCCN[C@H](CO)c1cccc(c1)C 34a_100009818812_100000210303 [0,1,1,0,0,0|2,0,0]=4 444 B14R1.22 CCCN[C@H](CO)c1cccc(c1)F 2230a_100020641251_100000210303 [0,1,1,0,0,0|2,0,0]=4 445 B14R1.22 CCCN[C@H](CO)c1cccc(c1)F 34a_100020641251_100000210303 [0,1,1,0,0,0|2,0,0]=4 446 B14R1.22 CCCOC(CC)c1cccc(c1)Cl 34a_100000766619_100000210303 [0,1,1,0,0,0|2,0,0]=4 447 B14R1.22 CCCOC(CC)c1cccc(c1)Cl 7a_100000766619_100000210303 [0,1,1,0,0,0|2,0,0]=4 448 B14R1.22 CCCOC(CC)c1cccc(c1)F 34a_100011350881_100000210303 [0,1,1,0,0,0|2,0,0]=4 449 B14R1.22 CCCOC(CC)c1cccc(c1)F 7a_100011350881_100000210303 [0,1,1,0,0,0|2,0,0]=4 450 B14R1.22 CCCOC(CC)c1cccc(c1)I 34a_200013212081_100000210303 [0,1,1,0,0,0|2,0,0]=4 451 B14R1.22 CCCOC(CC)c1cccc(c1)I 7a_200013212081_100000210303 [0,1,1,0,0,0|2,0,0]=4 452 B14R1.121 C#CC(OCCCC)c1ccccc1 34a_100011219616_100000210210 [0,1,1,0,0,0|1,0,1]=4 453 B14R1.121 C#CC(OCCCC)c1ccccc1 7a_100011219616_100000210211 [0,1,1,0,0,0|1,0,1]=4 454 B14R1.121 C#CCCOC(CN)c1ccccc1 34a_100000210709_100000688953 [0,1,1,0,0,0|0,0,2]=4 455 B14R1.121 C/C=C/COC(CN)c1ccccc1 34a_100000210709_100102629194 [0,1,1,0,0,0|0,0,2]=4 456 B14R1.121 C=CC(NCCCC)c1ccccc1 2230a_100000102301_200000085779 [0,1,1,0,0,0|1,0,1]=4 457 B14R1.121 C=CC(OCCCC)c1ccccc1 34a_100011215659_100000210210 [0,1,1,0,0,0|1,0,1]=4 458 B14R1.121 C=CC(OCCCC)c1ccccc1 7a_100011215659_100000210211 [0,1,1,0,0,0|1,0,1]=4 459 B14R1.121 C=CC(SCCCC)c1ccccc1 62a_100000210211_200000085779 [0,1,1,0,0,0|1,0,1]=4 460 B14R1.121 C=CC(SCCCC)c1ccccc1 62a_200000085779_100000210210 [0,1,1,0,0,0|1,0,1]=4 461 B14R1.121 C=CCCOC(CN)c1ccccc1 34a_100000210709_100000754431 [0,1,1,0,0,0|0,0,2]=4 462 B14R1.121 CC#CCOC(CN)c1ccccc1 34a_100000210709_100000748600 [0,1,1,0,0,0|0,0,2]=4 463 B14R1.121 CC=CCOC(CN)c1ccccc1 34a_100000210709_100000070051 [0,1,1,0,0,0|0,0,2]=4 464 B14R1.121 CCC(CNCCO)c1ccccc1 270004a_100000210304_100000753018 [0,1,1,0,0,0|2,0,0]=4 465 B14R1.121 CCC(COCCF)c1ccccc1 34a_100000752371_100011217306 [0,1,1,0,0,0|2,0,0]=4 466 B14R1.121 CCC(COCCF)c1ccccc1 7a_100000752371_100011217306 [0,1,1,0,0,0|2,0,0]=4 467 B14R1.121 CCC(COCCO)c1ccccc1 34a_100000752371_100000211926 [0,1,1,0,0,0|2,0,0]=4 468 B14R1.121 CCC(COCCO)c1ccccc1 7a_100000752371_100000211926 [0,1,1,0,0,0|2,0,0]=4 469 B14R1.121 CCC(COCSC)c1ccccc1 34a_100000752371_100011218213 [0,1,1,0,0,0|2,0,0]=4 470 B14R1.121 CCC(NCCCF)c1ccccc1 2230a_100000737752_100011934791 [0,1,1,0,0,0|2,0,0]=4 471 B14R1.121 CCC(NCCCF)c1ccccc1 269862a_100015189416_100000210124 [0,1,1,0,0,0|2,0,0]=4 472 B14R1.121 CCC(NCCCO)c1ccccc1 2230a_100000737752_100000230001 [0,1,1,0,0,0|2,0,0]=4 473 B14R1.121 CCC(NCCCO)c1ccccc1 269862a_100000182051_100000210124 [0,1,1,0,0,0|2,0,0]=4 474 B14R1.121 CCC(NCCOC)c1ccccc1 2230a_100000737752_100011201679 [0,1,1,0,0,0|2,0,0]=4 475 B14R1.121 CCC(NCCOC)c1ccccc1 269862a_100000209980_100000210124 [0,1,1,0,0,0|2,0,0]=4 476 B14R1.121 CCC(NCCSC)c1ccccc1 2230a_100000737752_100000751147 [0,1,1,0,0,0|2,0,0]=4 477 B14R1.121 CCC(NCCSC)c1ccccc1 269862a_100020590264_100000210124 [0,1,1,0,0,0|2,0,0]=4 478 B14R1.121 CCC(OCCCF)c1ccccc1 34a_100000698172_100011934791 [0,1,1,0,0,0|2,0,0]=4 479 B14R1.121 CCC(OCCCF)c1ccccc1 7a_100000698172_100011934791 [0,1,1,0,0,0|2,0,0]=4 480 B14R1.121 CCC(OCCCO)c1ccccc1 34a_100000698172_100000230001 [0,1,1,0,0,0|2,0,0]=4 481 B14R1.121 CCC(OCCCO)c1ccccc1 7a_100000698172_100011215043 [0,1,1,0,0,0|2,0,0]=4 482 B14R1.121 CCC(OCCOC)c1ccccc1 34a_100000698172_100011201679 [0,1,1,0,0,0|2,0,0]=4 483 B14R1.121 CCC(OCCOC)c1ccccc1 7a_100000698172_100000233755 [0,1,1,0,0,0|2,0,0]=4 484 B14R1.121 CCC(OCCSC)c1ccccc1 34a_100000698172_100000212216 [0,1,1,0,0,0|2,0,0]=4 485 B14R1.121 CCC(OCCSC)c1ccccc1 7a_100000698172_100000212216 [0,1,1,0,0,0|2,0,0]=4 486 B14R1.121 CCCCCC(NC)c1ccccc1 269862a_106832991636_100000211787 [0,1,1,0,0,0|2,0,0]=4 487 B14R1.121 CCCCCC(OC)c1ccccc1 34a_100000748122_200000210301 [0,1,1,0,0,0|2,0,0]=4 488 B14R1.121 CCCCCC(OC)c1ccccc1 7a_100000748122_200000210301 [0,1,1,0,0,0|2,0,0]=4 489 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 34a_100000748122_200025704644 [0,1,1,0,0,0|2,0,0]=4 490 B14R1.121 CCCCCC(O[13CH3])c1ccccc1 7a_100000748122_200025704644 [0,1,1,0,0,0|2,0,0]=4 491 B14R1.121 CCCCCN(CC)c1ccccc1 2230a_100000210013_100000210326 [0,1,1,0,0,0|2,0,0]=4 492 B14R1.121 CCCCCN(CC)c1ccccc1 2230a_200000219563_100000210202 [0,1,1,0,0,0|2,0,0]=4 493 B14R1.121 CCCCCN(CC)c1ccccc1 269982a_100000210013_100000210215 [0,1,1,0,0,0|2,0,0]=4 494 B14R1.121 CCCCCN(CC)c1ccccc1 269982a_200000219563_100000204670 [0,1,1,0,0,0|2,0,0]=4 495 B14R1.121 CCCCCN(CC)c1ccccc1 34a_100000210013_100000718602 [0,1,1,0,0,0|2,0,0]=4 496 B14R1.121 CCCCCN(CC)c1ccccc1 34a_200000219563_100000210202 [0,1,1,0,0,0|2,0,0]=4 497 B14R1.121 CCCCCN(CC)c1ccccc1 7a_200000219563_100000210202 [0,1,1,0,0,0|2,0,0]=4 498 B14R1.121 CCCCCN(CF)c1ccccc1 269982a_200000219563_100015361967 [0,1,1,0,0,0|2,0,0]=4 499 B14R1.121 CCCCCN(CF)c1ccccc1 34a_200000219563_100015361967 [0,1,1,0,0,0|2,0,0]=4 500 B14R1.121 CCCCCN(CF)c1ccccc1 7a_200000219563_100015361967 [0,1,1,0,0,0|2,0,0]=4 501 B14R1.121 CCCCNC(CC)c1ccccc1 2230a_100000737752_100000210211 [0,1,1,0,0,0|1,0,0]=3 502 B14R1.121 CCCCNC(CC)c1ccccc1 269862a_100000102301_100000210124 [0,1,1,0,0,0|1,0,0]=3 503 B14R1.121 CCCCNC(CC)c1ccccn1 2230a_100015186561_100000210211 [0,1,1,0,0,0|2,0,0]=4 504 B14R1.121 CCCCNC(CC)c1ccccn1 269862a_100000102301_100000748178 [0,1,1,0,0,0|2,0,0]=4 505 B14R1.121 CCCCNC(CC)c1cccnc1 2230a_100000246009_100000210211 [0,1,1,0,0,0|2,0,0]=4 506 B14R1.121 CCCCNC(CC)c1cccnc1 269862a_100000102301_100011218761 [0,1,1,0,0,0|2,0,0]=4 507 B14R1.121 CCCCNC(CC)c1ccncc1 269862a_100000102301_100011216016 [0,1,1,0,0,0|2,0,0]=4 508 B14R1.121 CCCCNC(CO)c1ccccn1 2230a_100015196888_100000210211 [0,1,1,0,0,0|2,0,0]=4 509 B14R1.121 CCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000210211 [0,1,1,0,0,0|1,0,0]=3 510 B14R1.121 CCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000210210 [0,1,1,0,0,0|1,0,0]=3 511 B14R1.121 CCCCN[C@H](CO)c1ccncc1 2230a_100138412524_100000210211 [0,1,1,0,0,0|2,0,0]=4 512 B14R1.121 CCCCOC(C#N)c1ccccc1 7a_100011217353_100000210211 [0,1,1,0,0,0|0,0,2]=4 513 B14R1.121 CCCCOC(CBr)c1ccccc1 7a_100000185958_100000210211 [0,1,1,0,0,0|1,0,0]=3 514 B14R1.121 CCCCOC(CC)c1ccccc1 34a_100000698172_100000210210 [0,1,1,0,0,0|1,0,0]=3 515 B14R1.121 CCCCOC(CC)c1ccccc1 7a_100000698172_100000210211 [0,1,1,0,0,0|1,0,0]=3 516 B14R1.121 CCCCOC(CN)c1ccccc1 34a_100000210709_100000210210 [0,1,1,0,0,0|0,0,0]=2 517 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000210210 [0,1,1,0,0,0|1,0,0]=3 518 B14R1.121 CCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000210211 [0,1,1,0,0,0|1,0,0]=3 519 B14R1.121 CCCNCC(CC)c1ccccc1 270004a_100020643023_100000753018 [0,1,1,0,0,0|1,0,0]=3 520 B14R1.121 CCCOCC(CC)c1ccccc1 34a_100000752371_100000210303 [0,1,1,0,0,0|1,0,0]=3 521 B14R1.121 CCCOCC(CC)c1ccccc1 7a_100000752371_100000210303 [0,1,1,0,0,0|1,0,0]=3 522 B14R1.121 CCCOCC(OC)c1ccccc1 34a_100011215540_100000210303 [0,1,1,0,0,0|2,0,0]=4 523 B14R1.121 CCCOCC(OC)c1ccccc1 7a_100011215540_100000210303 [0,1,1,0,0,0|2,0,0]=4 524 B14R1.121 CCN(CCCCF)c1ccccc1 2230a_100000210013_100000729493 [0,1,1,0,0,0|2,0,0]=4 525 B14R1.121 CCN(CCCCF)c1ccccc1 269982a_100000210013_100000729493 [0,1,1,0,0,0|2,0,0]=4 526 B14R1.121 CCN(CCCCF)c1ccccc1 34a_100000210013_100000729493 [0,1,1,0,0,0|2,0,0]=4 527 B14R1.121 CCN(CCCCO)c1ccccc1 2230a_100000210013_100000210776 [0,1,1,0,0,0|2,0,0]=4 528 B14R1.121 CCN(CCCCO)c1ccccc1 269982a_100000210013_100000210776 [0,1,1,0,0,0|2,0,0]=4 529 B14R1.121 CCN(CCCCO)c1ccccc1 34a_100000210013_100011216708 [0,1,1,0,0,0|2,0,0]=4 530 B14R1.121 CCN(CCCOC)c1ccccc1 2230a_100000210013_100000740836 [0,1,1,0,0,0|2,0,0]=4 531 B14R1.121 CCN(CCCOC)c1ccccc1 269982a_100000210013_100000740836 [0,1,1,0,0,0|2,0,0]=4 532 B14R1.121 CCN(CCCOC)c1ccccc1 34a_100000210013_100000740836 [0,1,1,0,0,0|2,0,0]=4 533 B14R1.121 CCOCCN(CC)c1ccccc1 2230a_100000210013_100011215890 [0,1,1,0,0,0|2,0,0]=4 534 B14R1.121 CCOCCN(CC)c1ccccc1 269982a_100000210013_100011215890 [0,1,1,0,0,0|2,0,0]=4 535 B14R1.121 CCOCCN(CC)c1ccccc1 34a_100000210013_100000210147 [0,1,1,0,0,0|2,0,0]=4 536 B14R1.121 CCOCCN(CC)c1ccccc1 7a_100000184040_100000210202 [0,1,1,0,0,0|2,0,0]=4 537 B14R1.121 CCSCCN(CC)c1ccccc1 2230a_100000210013_100000757381 [0,1,1,0,0,0|2,0,0]=4 538 B14R1.121 CCSCCN(CC)c1ccccc1 269982a_100000210013_100000757381 [0,1,1,0,0,0|2,0,0]=4 539 B14R1.121 CCSCCN(CC)c1ccccc1 34a_100000210013_100000757381 [0,1,1,0,0,0|2,0,0]=4 540 B14R1.121 COCCN[C@H](CO)c1ccccc1 2230a_100000751927_100011201679 [0,1,1,0,0,0|2,0,0]=4 541 B14R1.121 COCCN[C@H](CO)c1ccccc1 34a_100000751927_100011201679 [0,1,1,0,0,0|2,0,0]=4 542 B14R1.121 COCCOC(CBr)c1ccccc1 7a_100000185958_100000233755 [0,1,1,0,0,0|2,0,0]=4 543 B14R1.121 COCCOC(CN)c1ccccc1 34a_100000210709_100011201679 [0,1,1,0,0,0|1,0,0]=3 544 B14R1.121 COCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011201679 [0,1,1,0,0,0|2,0,0]=4 545 B14R1.121 COCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000233755 [0,1,1,0,0,0|2,0,0]=4 546 B14R1.121 CSCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000751147 [0,1,1,0,0,0|2,0,0]=4 547 B14R1.121 CSCCN[C@H](CO)c1ccccc1 34a_100000751927_100000212216 [0,1,1,0,0,0|2,0,0]=4 548 B14R1.121 CSCCOC(CBr)c1ccccc1 7a_100000185958_100000212216 [0,1,1,0,0,0|2,0,0]=4 549 B14R1.121 CSCCOC(CN)c1ccccc1 34a_100000210709_100000212216 [0,1,1,0,0,0|1,0,0]=3 550 B14R1.121 CSCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000212216 [0,1,1,0,0,0|2,0,0]=4 551 B14R1.121 CSCCO[C@H](CCl)c1ccccc1 7a_100011933945_100000212216 [0,1,1,0,0,0|2,0,0]=4 552 B14R1.121 FCCCOC(CBr)c1ccccc1 7a_100000185958_100011934791 [0,1,1,0,0,0|2,0,0]=4 553 B14R1.121 FCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100011934791 [0,1,1,0,0,0|2,0,0]=4 554 B14R1.121 FCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011934791 [0,1,1,0,0,0|2,0,0]=4 555 B14R1.121 NCC(OCCCF)c1ccccc1 34a_100000210709_100011934791 [0,1,1,0,0,0|1,0,0]=3 556 B14R1.121 NCC(OCCCO)c1ccccc1 34a_100000210709_100000230001 [0,1,1,0,0,0|1,0,0]=3 557 B14R1.121 OCCCN[C@H](CO)c1ccccc1 2230a_100000751927_100000230001 [0,1,1,0,0,0|2,0,0]=4 558 B14R1.121 OCCCN[C@H](CO)c1ccccc1 34a_100000751927_100000230001 [0,1,1,0,0,0|2,0,0]=4 559 B14R1.121 OCCCOC(CBr)c1ccccc1 7a_100000185958_100011215043 [0,1,1,0,0,0|2,0,0]=4 560 B14R1.121 OCCCO[C@H](CCl)c1ccccc1 34a_100011933945_100000230001 [0,1,1,0,0,0|2,0,0]=4 561 B14R1.121 OCCCO[C@H](CCl)c1ccccc1 7a_100011933945_100011215043 [0,1,1,0,0,0|2,0,0]=4 562 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 2230a_100000751927_100011934791 [0,1,1,0,0,0|2,0,0]=4 563 B14R1.121 OC[C@@H](NCCCF)c1ccccc1 34a_100000751927_100011934791 [0,1,1,0,0,0|2,0,0]=4 564 B14R1.171 C#CCN(CCCC)c1ccccc1 2230a_100000211623_100000038162 [0,1,1,0,0,0|2,0,0]=4 565 B14R1.171 C#CCN(CCCC)c1ccccc1 34a_100000211623_100000184674 [0,1,1,0,0,0|2,0,0]=4 566 B14R1.171 C=CCC(OCCC)c1ccccc1 34a_100000687291_100000210303 [0,1,1,0,0,0|2,0,0]=4 567 B14R1.171 C=CCC(OCCC)c1ccccc1 7a_100000687291_100000210303 [0,1,1,0,0,0|2,0,0]=4 568 B14R1.171 C=CCN(CCCC)c1ccccc1 2230a_100000211623_100000210623 [0,1,1,0,0,0|2,0,0]=4 569 B14R1.171 C=CCN(CCCC)c1ccccc1 2230a_100000211662_100000210211 [0,1,1,0,0,0|2,0,0]=4 570 B14R1.171 C=CCN(CCCC)c1ccccc1 269982a_100000211623_100000210623 [0,1,1,0,0,0|2,0,0]=4 571 B14R1.171 C=CCN(CCCC)c1ccccc1 269982a_100000211662_100000210211 [0,1,1,0,0,0|2,0,0]=4 572 B14R1.171 C=CCN(CCCC)c1ccccc1 34a_100000211623_100015514636 [0,1,1,0,0,0|2,0,0]=4 573 B14R1.171 C=CCN(CCCC)c1ccccc1 34a_100000211662_100000210210 [0,1,1,0,0,0|2,0,0]=4 574 B14R1.171 CCCCC(NCC)c1ccccc1 269862a_100015525214_100000211663 [0,1,1,0,0,0|1,0,0]=3 575 B14R1.171 CCCCC(NCC)c1cccnc1 2230a_200011711859_100000210202 [0,1,1,0,0,0|2,0,0]=4 576 B14R1.171 CCCCC(NCC)c1cccnc1 269862a_100015525214_200011709925 [0,1,1,0,0,0|2,0,0]=4 577 B14R1.171 CCCCC(NCC)c1ccncc1 2230a_100015203128_100000210202 [0,1,1,0,0,0|2,0,0]=4 578 B14R1.171 CCCCC(OCC)c1ccccc1 34a_100000698411_100000210202 [0,1,1,0,0,0|1,0,0]=3 579 B14R1.171 CCCCC(OCC)c1ccccc1 7a_100000698411_100000210202 [0,1,1,0,0,0|1,0,0]=3 580 B14R1.171 CCCCC(OCF)c1ccccc1 34a_100000698411_100015361967 [0,1,1,0,0,0|1,0,0]=3 581 B14R1.171 CCCCC(OCF)c1ccccc1 7a_100000698411_100015361967 [0,1,1,0,0,0|1,0,0]=3 582 B14R1.171 CCCCN(CC#N)c1ccccc1 2230a_100000211623_100011215382 [0,1,1,0,0,0|1,0,1]=4 583 B14R1.171 CCCCN(CC#N)c1ccccc1 269982a_100000211623_100011214920 [0,1,1,0,0,0|1,0,1]=4 584 B14R1.171 CCCCN(CC=O)c1ccccc1 2230a_100000211623_200015260668 [0,1,1,0,0,0|2,0,0]=4 585 B14R1.171 CCCCN(CC=O)c1ccccc1 269982a_100000211623_200015260668 [0,1,1,0,0,0|2,0,0]=4 586 B14R1.171 CCCCN(CC=O)c1ccccc1 34a_100000211623_200009817547 [0,1,1,0,0,0|2,0,0]=4 587 B14R1.171 CCCCN(CCC)c1ccccc1 2230a_100000211623_100000210303 [0,1,1,0,0,0|2,0,0]=4 588 B14R1.171 CCCCN(CCC)c1ccccc1 2230a_200011218496_100000210211 [0,1,1,0,0,0|2,0,0]=4 589 B14R1.171 CCCCN(CCC)c1ccccc1 269982a_100000211623_100000210303 [0,1,1,0,0,0|2,0,0]=4 590 B14R1.171 CCCCN(CCC)c1ccccc1 269982a_200011218496_100000210211 [0,1,1,0,0,0|2,0,0]=4 591 B14R1.171 CCCCN(CCC)c1ccccc1 34a_100000211623_100000210303 [0,1,1,0,0,0|2,0,0]=4 592 B14R1.171 CCCCN(CCC)c1ccccc1 34a_200011218496_100000210210 [0,1,1,0,0,0|2,0,0]=4 593 B14R1.171 CCCCN(CCF)c1ccccc1 2230a_100000211623_100011217306 [0,1,1,0,0,0|2,0,0]=4 594 B14R1.171 CCCCN(CCF)c1ccccc1 269982a_100000211623_100011217306 [0,1,1,0,0,0|2,0,0]=4 595 B14R1.171 CCCCN(CCF)c1ccccc1 34a_100000211623_100011217306 [0,1,1,0,0,0|2,0,0]=4 596 B14R1.171 CCCCN(CCO)c1ccccc1 2230a_100000211345_100000210211 [0,1,1,0,0,0|2,0,0]=4 597 B14R1.171 CCCCN(CCO)c1ccccc1 2230a_100000211623_100000211926 [0,1,1,0,0,0|2,0,0]=4 598 B14R1.171 CCCCN(CCO)c1ccccc1 269982a_100000211345_100000210211 [0,1,1,0,0,0|2,0,0]=4 599 B14R1.171 CCCCN(CCO)c1ccccc1 269982a_100000211623_100000211926 [0,1,1,0,0,0|2,0,0]=4 600 B14R1.171 CCCCN(CCO)c1ccccc1 34a_100000211345_100000210210 [0,1,1,0,0,0|2,0,0]=4 601 B14R1.171 CCCCN(CCO)c1ccccc1 34a_100000211623_100000211926 [0,1,1,0,0,0|2,0,0]=4 602 B14R1.171 CCCCN(COC)c1ccccc1 2230a_100000211623_100000766300 [0,1,1,0,0,0|2,0,0]=4 603 B14R1.171 CCCCN(COC)c1ccccc1 269982a_100000211623_100000766300 [0,1,1,0,0,0|2,0,0]=4 604 B14R1.171 CCCCN(CSC)c1ccccc1 2230a_100000211623_100011218213 [0,1,1,0,0,0|2,0,0]=4 605 B14R1.171 CCCCN(CSC)c1ccccc1 269982a_100000211623_100011218213 [0,1,1,0,0,0|2,0,0]=4 606 B14R1.171 CCCCN(CSC)c1ccccc1 34a_100000211623_100011218213 [0,1,1,0,0,0|2,0,0]=4 607 B14R1.171 CCCNC(CCC)c1ccccc1 2230a_100000189686_100000210303 [0,1,1,0,0,0|2,0,0]=4 608 B14R1.171 CCCNC(CCC)c1ccccc1 269862a_100020643023_100000211045 [0,1,1,0,0,0|2,0,0]=4 609 B14R1.171 CCCNC(CCC)c1ccccc1 34a_100000189686_100000210303 [0,1,1,0,0,0|2,0,0]=4 610 B14R1.171 CCCNC(COC)c1ccccc1 269862a_100020643023_100000765260 [0,1,1,0,0,0|2,0,0]=4 611 B14R1.171 CCCN[C@@H](CCO)c1ccccc1 2230a_100025705951_100000210303 [0,1,1,0,0,0|2,0,0]=4 612 B14R1.171 CCCN[C@H](COC)c1ccccc1 2230a_103619048568_100000210303 [0,1,1,0,0,0|2,0,0]=4 613 B14R1.171 CCCN[C@H](COC)c1ccccc1 34a_103619048568_100000210303 [0,1,1,0,0,0|2,0,0]=4 614 B14R1.171 CCCOC(CCC)c1ccccc1 34a_100000747916_100000210303 [0,1,1,0,0,0|2,0,0]=4 615 B14R1.171 CCCOC(CCC)c1ccccc1 7a_100000747916_100000210303 [0,1,1,0,0,0|2,0,0]=4 616 B14R1.171 CCCOC(CCN)c1ccccc1 34a_100000763605_100000210303 [0,1,1,0,0,0|1,0,0]=3 617 B14R1.171 CCCO[C@H](CC#N)c1ccccc1 7a_100009817555_100000210303 [0,1,1,0,0,0|1,0,1]=4 618 B14R1.171 CCCO[C@H](CCCl)c1ccccc1 34a_100000729684_100000210303 [0,1,1,0,0,0|2,0,0]=4 619 B14R1.171 CCCO[C@H](CCCl)c1ccccc1 7a_100000729684_100000210303 [0,1,1,0,0,0|2,0,0]=4 620 B14R1.171 CCCSC(CCCl)c1ccccc1 62a_100000210303_200010132975 [0,1,1,0,0,0|2,0,0]=4 621 B14R1.171 CCCSC(CCCl)c1ccccc1 62a_200010132975_100000210303 [0,1,1,0,0,0|2,0,0]=4 622 B14R1.171 CCNC(CCCO)c1ccccc1 2230a_100000759318_100000210202 [0,1,1,0,0,0|2,0,0]=4 623 B14R1.171 CCNC(CCCO)c1ccccc1 34a_100000759318_100000210202 [0,1,1,0,0,0|2,0,0]=4 624 B14R1.171 CCNC(CCNC)c1ccccc1 269862a_100015525214_100015249630 [0,1,1,0,0,0|2,0,0]=4 625 B14R1.171 CSCOC(CCN)c1ccccc1 34a_100000763605_100011218213 [0,1,1,0,0,0|2,0,0]=4 626 B14R1.171 NCCC(OCCF)c1ccccc1 34a_100000763605_100011217306 [0,1,1,0,0,0|2,0,0]=4 627 B14R1.171 NCCC(OCCO)c1ccccc1 34a_100000763605_100000211926 [0,1,1,0,0,0|2,0,0]=4 628 B14R1.171 OCCCC(NCF)c1ccccc1 34a_100000759318_100015361967 [0,1,1,0,0,0|2,0,0]=4 629 B14R1.175 CCCOC(C)(CC)c1ccccc1 7a_100000748282_100000210303 [0,1,1,0,0,0|2,0,0]=4 630 B14R1.178 CCCCN(c1ccccc1)C(C)C 2230a_100000210572_100000210211 [0,1,1,0,0,0|2,0,0]=4 631 B14R1.178 CCCCN(c1ccccc1)C(C)C 2230a_100000211623_100000210206 [0,1,1,0,0,0|2,0,0]=4 632 B14R1.178 CCCCN(c1ccccc1)C(C)C 269982a_100000210572_100000210211 [0,1,1,0,0,0|2,0,0]=4 633 B14R1.178 CCCCN(c1ccccc1)C(C)C 269982a_100000211623_100000210206 [0,1,1,0,0,0|2,0,0]=4 634 B14R1.178 CCCCN(c1ccccc1)C(C)C 34a_100000210572_100000210210 [0,1,1,0,0,0|2,0,0]=4 635 B14R1.178 CCCCN(c1ccccc1)C(C)C 34a_100000211623_100000210206 [0,1,1,0,0,0|2,0,0]=4 636 B14R1.178 CCCCN(c1ccccc1)C(C)C 7a_100000210572_100000210211 [0,1,1,0,0,0|2,0,0]=4 637 B14R1.178 CCCN[C@@H](C(=O)N)c1ccccc1 2230a_100011423151_100000210303 [0,1,1,0,0,0|1,0,1]=4 638 B14R1.178 CCCN[C@@H](c1ccccc1)[C@H](C)O 2230a_100134616770_100000210303 [0,1,1,0,0,0|2,0,0]=4 639 B14R1.178 CCCN[C@H](c1ccccc1)C(C)C 2230a_100015186014_100000210303 [0,1,1,0,0,0|2,0,0]=4 640 B14R1.178 CCCN[C@H](c1ccccc1)C(C)C 34a_100015186014_100000210303 [0,1,1,0,0,0|2,0,0]=4 641 B14R1.178 CCCOC(C(=O)N)c1ccccc1 34a_100011200849_100000210303 [0,1,1,0,0,0|1,0,1]=4 642 B14R1.178 CCCOC(C(=O)N)c1ccccc1 7a_100011200849_100000210303 [0,1,1,0,0,0|1,0,1]=4 643 B14R1.178 CCCOC(c1ccccc1)C(C)C 34a_200011217822_100000210303 [0,1,1,0,0,0|2,0,0]=4 644 B14R1.178 CCCOC(c1ccccc1)C(C)C 7a_200011217822_100000210303 [0,1,1,0,0,0|2,0,0]=4 645 B14R1.178 CCCSC(C(=O)N)c1ccccc1 62a_100000188848_100000210303 [0,1,1,0,0,0|1,0,1]=4 646 B14R1.178 CCCSC(C(=O)N)c1ccccc1 62a_100000210303_100000188848 [0,1,1,0,0,0|1,0,1]=4 647 B14R1.178 CCNC[C@H](c1ccccc1)C(C)C 2230a_200009885855_100000210202 [0,1,1,0,0,0|2,0,0]=4 648 B14R1.178 CCNC[C@H](c1ccccc1)C(C)C 34a_200009885855_100000210202 [0,1,1,0,0,0|2,0,0]=4 649 B14R1.540 C=C(C)COC(CN)c1ccccc1 34a_100000210709_100000748629 [0,1,1,0,0,0|1,0,1]=4 650 B14R1.540 CC(C)CN[C@H](CO)c1ccccc1 2230a_100000751927_100000210760 [0,1,1,0,0,0|2,0,0]=4 651 B14R1.540 CC(C)CN[C@H](CO)c1ccccc1 270004a_100000751927_100000210432 [0,1,1,0,0,0|2,0,0]=4 652 B14R1.540 CC(C)CN[C@H](CO)c1ccccc1 34a_100000751927_100000210624 [0,1,1,0,0,0|2,0,0]=4 653 B14R1.540 CC(C)COC(CBr)c1ccccc1 7a_100000185958_100000210760 [0,1,1,0,0,0|2,0,0]=4 654 B14R1.540 CC(C)COC(CN)c1ccccc1 34a_100000210709_100000210624 [0,1,1,0,0,0|1,0,0]=3 655 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 34a_100011933945_100000210624 [0,1,1,0,0,0|2,0,0]=4 656 B14R1.540 CC(C)CO[C@H](CCl)c1ccccc1 7a_100011933945_100000210760 [0,1,1,0,0,0|2,0,0]=4 657 B14R1.540 CC(O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100011218427 [0,1,1,0,0,0|2,0,0]=4 658 B14R1.540 CC(O)CN[C@H](CO)c1ccccc1 34a_100000751927_100011218427 [0,1,1,0,0,0|2,0,0]=4 659 B14R1.540 CC(O)COC(CBr)c1ccccc1 7a_100000185958_100011218427 [0,1,1,0,0,0|2,0,0]=4 660 B14R1.540 CC(O)COC(CN)c1ccccc1 34a_100000210709_100011218427 [0,1,1,0,0,0|1,0,0]=3 661 B14R1.540 CC(O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100011218427 [0,1,1,0,0,0|2,0,0]=4 662 B14R1.540 CC(O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100011218427 [0,1,1,0,0,0|2,0,0]=4 663 B14R1.540 CCC(COC(C)C)c1ccccc1 34a_100000752371_100000210206 [0,1,1,0,0,0|2,0,0]=4 664 B14R1.540 CCC(COC(C)C)c1ccccc1 7a_100000752371_100000210206 [0,1,1,0,0,0|2,0,0]=4 665 B14R1.540 CCC(NCC(C)C)c1ccccc1 2230a_100000737752_100000210760 [0,1,1,0,0,0|2,0,0]=4 666 B14R1.540 CCC(NCC(C)C)c1ccccc1 269862a_100000210953_100000210124 [0,1,1,0,0,0|2,0,0]=4 667 B14R1.540 CCC(NCC(C)C)c1ccccc1 270004a_100000737752_100000210432 [0,1,1,0,0,0|2,0,0]=4 668 B14R1.540 CCC(NCC(C)O)c1ccccc1 2230a_100000737752_100011218427 [0,1,1,0,0,0|2,0,0]=4 669 B14R1.540 CCC(NCC(C)O)c1ccccc1 269862a_100000210904_100000210124 [0,1,1,0,0,0|2,0,0]=4 670 B14R1.540 CCC(NC[C@@H](C)O)c1ccccc1 2230a_100000737752_100009817552 [0,1,1,0,0,0|2,0,0]=4 671 B14R1.540 CCC(OCC(C)C)c1ccccc1 34a_100000698172_100000210624 [0,1,1,0,0,0|2,0,0]=4 672 B14R1.540 CCC(OCC(C)C)c1ccccc1 7a_100000698172_100000210760 [0,1,1,0,0,0|2,0,0]=4 673 B14R1.540 CCC(OCC(C)O)c1ccccc1 34a_100000698172_100011218427 [0,1,1,0,0,0|2,0,0]=4 674 B14R1.540 CCC(OCC(C)O)c1ccccc1 7a_100000698172_100011218427 [0,1,1,0,0,0|2,0,0]=4 675 B14R1.540 CCC(OC[C@@H](C)O)c1ccccc1 34a_100000698172_100009817552 [0,1,1,0,0,0|2,0,0]=4 676 B14R1.540 CCC(OC[C@@H](C)O)c1ccccc1 7a_100000698172_100009817552 [0,1,1,0,0,0|2,0,0]=4 677 B14R1.540 CCN(CCC(C)C)c1ccccc1 2230a_100000210013_100000210312 [0,1,1,0,0,0|2,0,0]=4 678 B14R1.540 CCN(CCC(C)C)c1ccccc1 269982a_100000210013_100000210312 [0,1,1,0,0,0|2,0,0]=4 679 B14R1.540 CCN(CCC(C)C)c1ccccc1 34a_100000210013_100000210312 [0,1,1,0,0,0|2,0,0]=4 680 B14R1.540 CCN(CCC(C)O)c1ccccc1 2230a_100000210013_100012276601 [0,1,1,0,0,0|2,0,0]=4 681 B14R1.540 CCN(CCC(C)O)c1ccccc1 269982a_100000210013_100012276601 [0,1,1,0,0,0|2,0,0]=4 682 B14R1.540 CCN(CCC(C)O)c1ccccc1 34a_100000210013_100012276601 [0,1,1,0,0,0|2,0,0]=4 683 B14R1.540 CNC(CCC(C)C)c1ccccc1 269862a_106832991636_200011267664 [0,1,1,0,0,0|2,0,0]=4 684 B14R1.540 CNC(CCC(C)O)c1ccccc1 269862a_106832991636_200012571355 [0,1,1,0,0,0|2,0,0]=4 685 B14R1.540 C[C@@H](O)CN[C@H](CO)c1ccccc1 2230a_100000751927_100009817552 [0,1,1,0,0,0|2,0,0]=4 686 B14R1.540 C[C@@H](O)CN[C@H](CO)c1ccccc1 34a_100000751927_100009817552 [0,1,1,0,0,0|2,0,0]=4 687 B14R1.540 C[C@@H](O)COC(CBr)c1ccccc1 7a_100000185958_100009817552 [0,1,1,0,0,0|2,0,0]=4 688 B14R1.540 C[C@@H](O)COC(CN)c1ccccc1 34a_100000210709_100009817552 [0,1,1,0,0,0|1,0,0]=3 689 B14R1.540 C[C@@H](O)CO[C@H](CCl)c1ccccc1 34a_100011933945_100009817552 [0,1,1,0,0,0|2,0,0]=4 690 B14R1.540 C[C@@H](O)CO[C@H](CCl)c1ccccc1 7a_100011933945_100009817552 [0,1,1,0,0,0|2,0,0]=4 691 B14R1.540 NCC(OCC(F)F)c1ccccc1 34a_100000210709_100011934356 [0,1,1,0,0,0|2,0,0]=4 692 B14R1.604 CCCC(=O)C(CC)c1ccccc1 1458a_100000211302_100000210303 [0,1,1,0,0,0|1,0,1]=4 693 B14R1.604 CCCC(=O)C(CO)c1ccccc1 1458a_100011218805_100000210303 [0,1,1,0,0,0|1,0,1]=4 694 B14R1.604 CCCC(C)N(CC)c1ccccc1 2230a_100000210013_100000766640 [0,1,1,0,0,0|2,0,0]=4 695 B14R1.604 CCCC(C)N(CC)c1ccccc1 269982a_100000210013_100000766640 [0,1,1,0,0,0|2,0,0]=4 696 B14R1.604 CCCC(C)N(CC)c1ccccc1 34a_100000210013_100000766640 [0,1,1,0,0,0|2,0,0]=4 697 B14R1.604 CCCN(C)C(CC)c1ccccc1 2230a_100000737431_200000210301 [0,1,1,0,0,0|2,0,0]=4 698 B14R1.604 CCCN(C)C(CC)c1ccccc1 2230a_100000737544_100000210303 [0,1,1,0,0,0|2,0,0]=4 699 B14R1.604 CCCN(C)C(CC)c1ccccc1 269982a_100000737431_200000210301 [0,1,1,0,0,0|2,0,0]=4 700 B14R1.604 CCCN(C)C(CC)c1ccccc1 269982a_100000737544_100000210303 [0,1,1,0,0,0|2,0,0]=4 701 B14R1.604 CCCN([13CH3])C(CC)c1ccccc1 2230a_100000737431_200025704644 [0,1,1,0,0,0|2,0,0]=4 702 B14R1.604 CCCN([13CH3])C(CC)c1ccccc1 269982a_100000737431_200025704644 [0,1,1,0,0,0|2,0,0]=4 703 B14R1.3111 CCCCC(NC)c1ccccc1F 269862a_106832991636_100011804260 [0,1,1,0,0,0|2,0,0]=4 704 B14R1.3111 CCCCN(CC)c1ccccc1Br 2230a_114873767003_100000210211 [0,1,1,0,0,0|2,0,0]=4 705 B14R1.3111 CCCCN(CC)c1ccccc1Br 269982a_114873767003_100000210211 [0,1,1,0,0,0|2,0,0]=4 706 B14R1.3111 CCCCN(CC)c1ccccc1Br 34a_114873767003_100000210210 [0,1,1,0,0,0|2,0,0]=4 707 B14R1.3111 CCCCN(CC)c1ccccc1C 2230a_100000211084_100000210211 [0,1,1,0,0,0|2,0,0]=4 708 B14R1.3111 CCCCN(CC)c1ccccc1C 269982a_100000211084_100000210211 [0,1,1,0,0,0|2,0,0]=4 709 B14R1.3111 CCCCN(CC)c1ccccc1C 34a_100000211084_100000210210 [0,1,1,0,0,0|2,0,0]=4 710 B14R1.3111 CCCCN(CC)c1ccccc1F 2230a_100000220365_100000210211 [0,1,1,0,0,0|2,0,0]=4 711 B14R1.3111 CCCCN(CC)c1ccccc1F 269982a_100000220365_100000210211 [0,1,1,0,0,0|2,0,0]=4 712 B14R1.3111 CCCCN(CC)c1ccccc1F 34a_100000220365_100000210210 [0,1,1,0,0,0|2,0,0]=4 713 B14R1.3111 CCCCN(CC)c1ccccc1O 269982a_103624766699_100000210211 [0,1,1,0,0,0|2,0,0]=4 714 B14R1.3111 CCCNC(CC)c1ccccc1C 269862a_100020643023_100011350723 [0,1,1,0,0,0|2,0,0]=4 715 B14R1.3111 CCCNC(CC)c1ccccc1Cl 269862a_100020643023_100011400563 [0,1,1,0,0,0|2,0,0]=4 716 B14R1.3111 CCCNC(CC)c1ccccc1F 269862a_100020643023_100000686739 [0,1,1,0,0,0|2,0,0]=4 717 B14R1.3111 CCCNC(CO)c1ccccc1Cl 2230a_100138412506_100000210303 [0,1,1,0,0,0|2,0,0]=4 718 B14R1.3111 CCCNC(CO)c1ccccc1Cl 34a_100138412506_100000210303 [0,1,1,0,0,0|2,0,0]=4 719 B14R1.3111 CCCN[C@@H](CC)c1ccccc1Cl 2230a_200016987949_100000210303 [0,1,1,0,0,0|2,0,0]=4 720 B14R1.3111 CCCN[C@@H](CC)c1ccccc1Cl 34a_200016987949_100000210303 [0,1,1,0,0,0|2,0,0]=4 721 B14R1.3111 CCCN[C@@H](CC)c1ccccc1F 2230a_100015190424_100000210303 [0,1,1,0,0,0|2,0,0]=4 722 B14R1.3111 CCCN[C@@H](CC)c1ccccc1F 34a_100015190424_100000210303 [0,1,1,0,0,0|2,0,0]=4 723 B14R1.3111 CCCN[C@@H](CO)c1ccccc1F 2230a_100009818778_100000210303 [0,1,1,0,0,0|2,0,0]=4 724 B14R1.3111 CCCN[C@@H](CO)c1ccccc1F 34a_100009818778_100000210303 [0,1,1,0,0,0|2,0,0]=4 725 B14R1.3111 CCCN[C@H](CO)c1ccccc1Br 2230a_100161155918_100000210303 [0,1,1,0,0,0|2,0,0]=4 726 B14R1.3111 CCCN[C@H](CO)c1ccccc1Br 34a_100161155918_100000210303 [0,1,1,0,0,0|2,0,0]=4 727 B14R1.3111 CCCOC(CC)c1ccccc1F 34a_200011689290_100000210303 [0,1,1,0,0,0|2,0,0]=4 728 B14R1.3111 CCCOC(CC)c1ccccc1F 7a_200011689290_100000210303 [0,1,1,0,0,0|2,0,0]=4 729 B14R1.3111 CCCOC(CN)c1ccccc1Br 34a_100011236429_100000210303 [0,1,1,0,0,0|1,0,0]=3 730 B14R1.3111 CCCOC(CN)c1ccccc1Cl 34a_200000759403_100000210303 [0,1,1,0,0,0|1,0,0]=3 731 B14R1.3111 CSCOC(CN)c1ccccc1Br 34a_100011236429_100011218213 [0,1,1,0,0,0|2,0,0]=4 732 B14R1.3111 CSCOC(CN)c1ccccc1Cl 34a_200000759403_100011218213 [0,1,1,0,0,0|2,0,0]=4 733 B14R1.3111 NCC(OCCF)c1ccccc1Br 34a_100011236429_100011217306 [0,1,1,0,0,0|2,0,0]=4 734 B14R1.3111 NCC(OCCF)c1ccccc1Cl 34a_200000759403_100011217306 [0,1,1,0,0,0|2,0,0]=4 735 B14R1.3111 NCC(OCCO)c1ccccc1Br 34a_100011236429_100000211926 [0,1,1,0,0,0|2,0,0]=4 736 B14R1.3111 NCC(OCCO)c1ccccc1Cl 34a_200000759403_100000211926 [0,1,1,0,0,0|2,0,0]=4 737 B14R1.3297 CC(CO)OC(CN)c1ccccc1 34a_100000210709_100012180447 [0,1,1,0,0,0|2,0,0]=4 738 B14R1.3297 CCC(=O)CC(CO)c1ccccc1 1458a_106726389045_100000210202 [0,1,1,0,0,0|1,0,1]=4 739 B14R1.3297 CCC(C)CN(CC)c1ccccc1 2230a_100000210013_100000748023 [0,1,1,0,0,0|2,0,0]=4 740 B14R1.3297 CCC(C)CN(CC)c1ccccc1 269982a_100000210013_100000748023 [0,1,1,0,0,0|2,0,0]=4 741 B14R1.3297 CCC(C)CN(CC)c1ccccc1 34a_100000210013_100000748023 [0,1,1,0,0,0|2,0,0]=4 742 B14R1.3297 CCC(C)NC(CC)c1ccccc1 2230a_100000737752_100000758301 [0,1,1,0,0,0|2,0,0]=4 743 B14R1.3297 CCC(C)NC(CC)c1ccccc1 269862a_100000209981_100000210124 [0,1,1,0,0,0|2,0,0]=4 744 B14R1.3297 CCC(C)N[C@H](CO)c1ccccc1 2230a_100000751927_100000758301 [0,1,1,0,0,0|2,0,0]=4 745 B14R1.3297 CCC(C)N[C@H](CO)c1ccccc1 34a_100000751927_100011215416 [0,1,1,0,0,0|2,0,0]=4 746 B14R1.3297 CCC(C)OC(CBr)c1ccccc1 7a_100000185958_100000758301 [0,1,1,0,0,0|2,0,0]=4 747 B14R1.3297 CCC(C)OC(CC)c1ccccc1 34a_100000698172_100011215416 [0,1,1,0,0,0|2,0,0]=4 748 B14R1.3297 CCC(C)OC(CC)c1ccccc1 7a_100000698172_100000758301 [0,1,1,0,0,0|2,0,0]=4 749 B14R1.3297 CCC(C)OC(CN)c1ccccc1 34a_100000210709_100011215416 [0,1,1,0,0,0|1,0,0]=3 750 B14R1.3297 CCC(C)O[C@H](CCl)c1ccccc1 34a_100011933945_100011215416 [0,1,1,0,0,0|2,0,0]=4 751 B14R1.3297 CCC(C)O[C@H](CCl)c1ccccc1 7a_100011933945_100000758301 [0,1,1,0,0,0|2,0,0]=4 752 B14R1.3297 CCC(O)CN(CC)c1ccccc1 2230a_100000210013_100011218378 [0,1,1,0,0,0|2,0,0]=4 753 B14R1.3297 CCC(O)CN(CC)c1ccccc1 269982a_100000210013_100011218378 [0,1,1,0,0,0|2,0,0]=4 754 B14R1.3297 CCC(O)CN(CC)c1ccccc1 34a_100000210013_100011218378 [0,1,1,0,0,0|2,0,0]=4 755 B14R1.3297 CC[C@H](C)CN(CC)c1ccccc1 2230a_100000210013_100009816398 [0,1,1,0,0,0|2,0,0]=4 756 B14R1.3297 CC[C@H](C)CN(CC)c1ccccc1 269982a_100000210013_100009816398 [0,1,1,0,0,0|2,0,0]=4 757 B14R1.3297 CC[C@H](C)CN(CC)c1ccccc1 34a_100000210013_100009816398 [0,1,1,0,0,0|2,0,0]=4 758 B14R1.974 CCNC(CC)(CC)c1ccccc1 2230a_100020617177_100000210202 [0,1,1,0,0,0|2,0,0]=4 759 B14R1.974 CCOC(CC)(CC)c1ccccc1 7a_200011218014_100000210202 [0,1,1,0,0,0|2,0,0]=4 760 B14R1.3642 CCC(C)(OC(C)C)c1ccccc1 7a_100000748282_100000210206 [0,1,1,0,0,0|2,0,0]=4 761 B14R1.6706 C=CCC(C)(OCC)c1ccccc1 7a_200011216374_100000210202 [0,1,1,0,0,0|2,0,0]=4 762 B14R1.6706 CCCC(C)(OCC)c1ccccc1 7a_200011216028_100000210202 [0,1,1,0,0,0|1,0,0]=3 763 B14R1.6706 CCCC(C)(OCF)c1ccccc1 7a_200011216028_100015361967 [0,1,1,0,0,0|1,0,0]=3 764 B14R1.537 CC[Si](CC)(CC)c1ccc(cc1)O 271570a_203496583355_100134652061 [0,1,1,0,0,0|1,1,0]=4 765 B14R1.6939 CCC(CC)(C(=O)C)c1ccccc1 1458a_100000765338_200000210301 [0,1,1,0,0,0|1,0,1]=4 766 B14R1.6939 CCC(CC)(C(=O)[13CH3])c1ccccc1 1458a_100000765338_200025704644 [0,1,1,0,0,0|1,0,1]=4 767 B14R1.8415 C=CC=CC(=O)NC1(CCCC1)CC 1626a_100015183760_100016291481 [0,1,1,0,0,0|2,0,0]=4 768 B14R2.4398 CC1(OCCO1)c2ccc(cc2)O 271570a_203496583355_200009992689 [1,1,0,0,0,0|2,0,0]=4 769 B14R2.4398 Oc1ccc(cc1)C2(CCCC2)O 271570a_203496583355_100010132842 [1,1,0,0,0,0|1,0,0]=3 770 B14R2.4471 CC1(OCCO1)c2cccc(c2)O 271570a_203496583355_200010209287 [1,1,0,0,0,0|2,0,0]=4 771 B14R2.4471 NC1(CCCC1)c2cccc(c2)O 271570a_203496583355_200011271485 [1,1,0,0,0,0|0,0,0]=2 772 B14R2.4471 Oc1cccc(c1)C2(CCCC2)O 271570a_203496583355_100010765679 [1,1,0,0,0,0|1,0,0]=3 773 B14R2.157 CNC1(CCC1)c2ccc(cc2)Br 2230a_100000746438_200000210301 [0,1,0,0,1,0|2,0,0]=4 774 B14R2.157 CNC1(CCC1)c2ccc(cc2)Br 34a_100000746438_200000210301 [0,1,0,0,1,0|2,0,0]=4 775 B14R2.157 COC1(CCC1)c2ccc(cc2)Br 34a_100010132843_200000210301 [0,1,0,0,1,0|2,0,0]=4 776 B14R2.157 COC1(CCC1)c2ccc(cc2)Br 7a_100010132843_200000210301 [0,1,0,0,1,0|2,0,0]=4 777 B14R2.157 N#CC1(CCC1)c2ccc(cc2)O 271570a_203496583355_100011246086 [0,1,0,0,1,0|0,0,2]=4 778 B14R2.157 NCC1(CCC1)c2ccc(cc2)O 271570a_203496583355_100000743562 [0,1,0,0,1,0|0,0,0]=2 779 B14R2.157 OCC1(CCC1)c2ccc(cc2)O 271570a_203496583355_100010686961 [0,1,0,0,1,0|1,0,0]=3 780 B14R2.157 [13CH3]NC1(CCC1)c2ccc(cc2)Br 2230a_100000746438_200025704644 [0,1,0,0,1,0|2,0,0]=4 781 B14R2.157 [13CH3]NC1(CCC1)c2ccc(cc2)Br 34a_100000746438_200025704644 [0,1,0,0,1,0|2,0,0]=4 782 B14R2.157 [13CH3]OC1(CCC1)c2ccc(cc2)Br 34a_100010132843_200025704644 [0,1,0,0,1,0|2,0,0]=4 783 B14R2.157 [13CH3]OC1(CCC1)c2ccc(cc2)Br 7a_100010132843_200025704644 [0,1,0,0,1,0|2,0,0]=4 784 B14R2.2971 COC1(CCC1)c2cccc(c2)Br 34a_200010765678_200000210301 [0,1,0,0,1,0|2,0,0]=4 785 B14R2.2971 COC1(CCC1)c2cccc(c2)Br 7a_200010765678_200000210301 [0,1,0,0,1,0|2,0,0]=4 786 B14R2.2971 N#CC1(CCC1)c2cccc(c2)O 271570a_203496583355_100011271463 [0,1,0,0,1,0|0,0,2]=4 787 B14R2.2971 NCC1(CCC1)c2cccc(c2)O 271570a_203496583355_200000743689 [0,1,0,0,1,0|0,0,0]=2 788 B14R2.2971 [13CH3]OC1(CCC1)c2cccc(c2)Br 34a_200010765678_200025704644 [0,1,0,0,1,0|2,0,0]=4 789 B14R2.2971 [13CH3]OC1(CCC1)c2cccc(c2)Br 7a_200010765678_200025704644 [0,1,0,0,1,0|2,0,0]=4 790 B14R2.9538 CC(=O)C1(CCC1)c2ccccc2 1458a_100000215631_200000210301 [0,1,0,0,1,0|1,0,1]=4 791 B14R2.9538 [13CH3]C(=O)C1(CCC1)c2ccccc2 1458a_100000215631_200025704644 [0,1,0,0,1,0|1,0,1]=4 792 B14R2.9726 CCNC1(CCC1)c2ccccc2 2230a_100000734848_100000210202 [0,1,0,0,1,0|1,0,0]=3 793 B14R2.9726 CCOC1(COC1)c2ccccc2 7a_100009829368_100000210202 [0,1,0,0,1,0|2,0,0]=4 794 B14R2.9726 CNCC1(CCC1)c2ccccc2 2230a_100000241340_200000210301 [0,1,0,0,1,0|0,0,0]=2 795 B14R2.9726 CNCC1(CCC1)c2ccccc2 34a_100000241340_200000210301 [0,1,0,0,1,0|0,0,0]=2 796 B14R2.9726 FCOC1(COC1)c2ccccc2 7a_100009829368_100015361967 [0,1,0,0,1,0|2,0,0]=4 797 B14R2.9726 [13CH3]NCC1(CCC1)c2ccccc2 2230a_100000241340_200025704644 [0,1,0,0,1,0|0,0,0]=2 798 B14R2.9726 [13CH3]NCC1(CCC1)c2ccccc2 34a_100000241340_200025704644 [0,1,0,0,1,0|0,0,0]=2 799 B14R2.14357 N#CC1(CCC1)c2ccccc2O 271570a_203496583355_100011756636 [0,1,0,0,1,0|0,0,2]=4 800 B16R2.6077 CCC1(CCCC1)Nc2ccc(cn2)Br 27a_100015183760_100000686858 [0,1,0,0,0,1|2,0,0]=4 801 B16R2.6077 OCC1(CCCC1)Nc2ccc(cn2)Br 27a_100000749328_100000686858 [0,1,0,0,0,1|2,0,0]=4 802 B16R2.47250 CCC1(CCCC1)Nc2cc(ccn2)F 27a_100015183760_100000764206 [0,1,0,0,0,1|2,0,0]=4 803 B16R2.47250 CCC1(CCCC1)Nc2cc[nH]c(=O)c2 27a_100015183760_100000061649 [0,1,0,0,0,1|2,0,0]=4 804 B16R2.47250 CCC1(CCCC1)Nc2cccc(n2)F 27a_100015183760_100009815982 [0,1,0,0,0,1|2,0,0]=4 805 B16R2.47250 CCC1(CCCC1)Nc2ccnc(c2)C 27a_100015183760_100000758586 [0,1,0,0,0,1|2,0,0]=4 806 B16R2.47250 CCC1(CCCC1)Nc2ccnc(c2)F 27a_100015183760_100009816116 [0,1,0,0,0,1|2,0,0]=4 807 B16R2.47250 Cc1cc(ccn1)NC2(CCCC2)CO 27a_100000749328_100000758586 [0,1,0,0,0,1|2,0,0]=4 808 B16R2.47250 O=c1cc(cc[nH]1)NC2(CCCC2)CO 27a_100000749328_100000061649 [0,1,0,0,0,1|2,0,0]=4 809 B16R2.47250 OCC1(CCCC1)Nc2cc(ccn2)F 27a_100000749328_100000764206 [0,1,0,0,0,1|2,0,0]=4 810 B16R2.47250 OCC1(CCCC1)Nc2cccc(n2)F 27a_100000749328_100009815982 [0,1,0,0,0,1|2,0,0]=4 811 B16R2.47250 OCC1(CCCC1)Nc2ccnc(c2)F 27a_100000749328_100009816116 [0,1,0,0,0,1|2,0,0]=4 812 B16R2.47532 CCC1(CCCC1)Nc2ccncc2Br 27a_100015183760_100000726257 [0,1,0,0,0,1|2,0,0]=4 813 B16R2.47532 CCC1(CCCC1)Nc2ccncc2C 27a_100015183760_100000765111 [0,1,0,0,0,1|2,0,0]=4 814 B16R2.47532 CCC1(CCCC1)Nc2ccncc2F 27a_100015183760_100000035921 [0,1,0,0,0,1|2,0,0]=4 815 B16R2.47532 CCC1(CCCC1)Nc2ncccc2Br 27a_100015183760_100000696092 [0,1,0,0,0,1|2,0,0]=4 816 B16R2.47532 Cc1cnccc1NC2(CCCC2)CO 27a_100000749328_100000765111 [0,1,0,0,0,1|2,0,0]=4 817 B16R2.47532 OCC1(CCCC1)Nc2ccncc2Br 27a_100000749328_100000726257 [0,1,0,0,0,1|2,0,0]=4 818 B16R2.47532 OCC1(CCCC1)Nc2ccncc2F 27a_100000749328_100000035921 [0,1,0,0,0,1|2,0,0]=4 819 B16R2.47532 OCC1(CCCC1)Nc2ncccc2Br 27a_100000749328_100000696092 [0,1,0,0,0,1|2,0,0]=4 820 B16R2.6076 COC1(CCCCC1)c2ccc(cc2)Br 34a_200010132841_200000210301 [0,1,0,0,0,1|2,0,0]=4 821 B16R2.6076 COC1(CCCCC1)c2ccc(cc2)Br 7a_200010132841_200000210301 [0,1,0,0,0,1|2,0,0]=4 822 B16R2.6076 COC1(CCCCC1)c2ccc(cc2)Cl 34a_100011362123_200000210301 [0,1,0,0,0,1|2,0,0]=4 823 B16R2.6076 COC1(CCCCC1)c2ccc(cc2)Cl 7a_100011362123_200000210301 [0,1,0,0,0,1|2,0,0]=4 824 B16R2.6076 COC1(CCNCC1)c2ccc(cc2)Br 34a_100121572065_200000210301 [0,1,0,0,0,1|2,0,0]=4 825 B16R2.6076 COC1(CCNCC1)c2ccc(cc2)C 34a_100011236475_200000210301 [0,1,0,0,0,1|2,0,0]=4 826 B16R2.6076 COC1(CCNCC1)c2ccc(cc2)Cl 34a_100011218428_200000210301 [0,1,0,0,0,1|2,0,0]=4 827 B16R2.6076 COC1(CCNCC1)c2ccc(cc2)F 34a_100016991077_200000210301 [0,1,0,0,0,1|2,0,0]=4 828 B16R2.6076 COC1(CCOCC1)c2ccc(cc2)Br 34a_100010245627_200000210301 [0,1,0,0,0,1|2,0,0]=4 829 B16R2.6076 COC1(CCOCC1)c2ccc(cc2)Br 7a_100010245627_200000210301 [0,1,0,0,0,1|2,0,0]=4 830 B16R2.6076 Cc1ccc(cc1)C2(CCNCC2)O[13CH3] 34a_100011236475_200025704644 [0,1,0,0,0,1|2,0,0]=4 831 B16R2.6076 N#CC1(CCCCC1)c2ccc(cc2)O 271570a_203496583355_100011246085 [0,1,0,0,0,1|0,0,2]=4 832 B16R2.6076 N#CC1(CCNCC1)c2ccc(cc2)O 271570a_203496583355_200160523122 [0,1,0,0,0,1|0,0,2]=4 833 B16R2.6076 [13CH3]OC1(CCCCC1)c2ccc(cc2)Br 34a_200010132841_200025704644 [0,1,0,0,0,1|2,0,0]=4 834 B16R2.6076 [13CH3]OC1(CCCCC1)c2ccc(cc2)Br 7a_200010132841_200025704644 [0,1,0,0,0,1|2,0,0]=4 835 B16R2.6076 [13CH3]OC1(CCCCC1)c2ccc(cc2)Cl 34a_100011362123_200025704644 [0,1,0,0,0,1|2,0,0]=4 836 B16R2.6076 [13CH3]OC1(CCCCC1)c2ccc(cc2)Cl 7a_100011362123_200025704644 [0,1,0,0,0,1|2,0,0]=4 837 B16R2.6076 [13CH3]OC1(CCNCC1)c2ccc(cc2)Br 34a_100121572065_200025704644 [0,1,0,0,0,1|2,0,0]=4 838 B16R2.6076 [13CH3]OC1(CCNCC1)c2ccc(cc2)Cl 34a_100011218428_200025704644 [0,1,0,0,0,1|2,0,0]=4 839 B16R2.6076 [13CH3]OC1(CCNCC1)c2ccc(cc2)F 34a_100016991077_200025704644 [0,1,0,0,0,1|2,0,0]=4 840 B16R2.6076 [13CH3]OC1(CCOCC1)c2ccc(cc2)Br 34a_100010245627_200025704644 [0,1,0,0,0,1|2,0,0]=4 841 B16R2.6076 [13CH3]OC1(CCOCC1)c2ccc(cc2)Br 7a_100010245627_200025704644 [0,1,0,0,0,1|2,0,0]=4 842 B16R2.7941 COC1(CCCCC1)c2cccc(c2)F 34a_100011350292_200000210301 [0,1,0,0,0,1|2,0,0]=4 843 B16R2.7941 COC1(CCCCC1)c2cccc(c2)F 7a_100011350292_200000210301 [0,1,0,0,0,1|2,0,0]=4 844 B16R2.7941 COC1(CCNCC1)c2cccc(c2)F 34a_100153394307_200000210301 [0,1,0,0,0,1|2,0,0]=4 845 B16R2.7941 [13CH3]OC1(CCCCC1)c2cccc(c2)F 34a_100011350292_200025704644 [0,1,0,0,0,1|2,0,0]=4 846 B16R2.7941 [13CH3]OC1(CCCCC1)c2cccc(c2)F 7a_100011350292_200025704644 [0,1,0,0,0,1|2,0,0]=4 847 B16R2.7941 [13CH3]OC1(CCNCC1)c2cccc(c2)F 34a_100153394307_200025704644 [0,1,0,0,0,1|2,0,0]=4 848 B16R2.27540 CC(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_200000210301 [0,1,0,0,0,1|1,0,1]=4 849 B16R2.27540 CC(=O)C1(CCOCC1)c2ccccc2 1458a_100000739152_200000210301 [0,1,0,0,0,1|1,0,1]=4 850 B16R2.27540 [13CH3]C(=O)C1(CCCCC1)c2ccccc2 1458a_100011217237_200025704644 [0,1,0,0,0,1|1,0,1]=4 851 B16R2.27540 [13CH3]C(=O)C1(CCOCC1)c2ccccc2 1458a_100000739152_200025704644 [0,1,0,0,0,1|1,0,1]=4 852 B16R2.28436 CCNC1(CCOCC1)c2ccccc2 2230a_100000754981_100000210202 [0,1,0,0,0,1|1,0,0]=3 853 B16R2.28436 CCNC1(CCOCC1)c2ccccc2 34a_100000754981_100000210202 [0,1,0,0,0,1|1,0,0]=3 854 B16R2.28436 CCOC1(CCCCC1)c2ccccc2 34a_100011219906_100000210202 [0,1,0,0,0,1|1,0,0]=3 855 B16R2.28436 CCOC1(CCCCC1)c2ccccc2 7a_100011219906_100000210202 [0,1,0,0,0,1|1,0,0]=3 856 B16R2.28436 CCOC1(CCOCC1)c2ccccc2 34a_100000754853_100000210202 [0,1,0,0,0,1|1,0,0]=3 857 B16R2.28436 CCOC1(CCOCC1)c2ccccc2 7a_100000754853_100000210202 [0,1,0,0,0,1|1,0,0]=3 858 B16R2.28436 CNCC1(CCCCC1)c2ccccc2 2230a_100011230113_200000210301 [0,1,0,0,0,1|0,0,0]=2 859 B16R2.28436 CNCC1(CCCCC1)c2ccccc2 34a_100011230113_200000210301 [0,1,0,0,0,1|0,0,0]=2 860 B16R2.28436 CNCC1(CCOCC1)c2ccccc2 2230a_100000739137_200000210301 [0,1,0,0,0,1|0,0,0]=2 861 B16R2.28436 CNCC1(CCOCC1)c2ccccc2 34a_100000739137_200000210301 [0,1,0,0,0,1|0,0,0]=2 862 B16R2.28436 FCNC1(CCOCC1)c2ccccc2 34a_100000754981_100015361967 [0,1,0,0,0,1|1,0,0]=3 863 B16R2.28436 FCOC1(CCCCC1)c2ccccc2 34a_100011219906_100015361967 [0,1,0,0,0,1|1,0,0]=3 864 B16R2.28436 FCOC1(CCCCC1)c2ccccc2 7a_100011219906_100015361967 [0,1,0,0,0,1|1,0,0]=3 865 B16R2.28436 FCOC1(CCOCC1)c2ccccc2 34a_100000754853_100015361967 [0,1,0,0,0,1|1,0,0]=3 866 B16R2.28436 FCOC1(CCOCC1)c2ccccc2 7a_100000754853_100015361967 [0,1,0,0,0,1|1,0,0]=3 867 B16R2.28436 [13CH3]NCC1(CCCCC1)c2ccccc2 2230a_100011230113_200025704644 [0,1,0,0,0,1|0,0,0]=2 868 B16R2.28436 [13CH3]NCC1(CCCCC1)c2ccccc2 34a_100011230113_200025704644 [0,1,0,0,0,1|0,0,0]=2 869 B16R2.28436 [13CH3]NCC1(CCOCC1)c2ccccc2 2230a_100000739137_200025704644 [0,1,0,0,0,1|0,0,0]=2 870 B16R2.28436 [13CH3]NCC1(CCOCC1)c2ccccc2 34a_100000739137_200025704644 [0,1,0,0,0,1|0,0,0]=2 871 B16R2.46345 CN1CCC(CC1)(C#N)c2ccccc2 2230a_100000105260_200000210301 [0,1,0,0,0,1|0,0,2]=4 872 B16R2.46345 CN1CCC(CC1)(C#N)c2ccccc2 269982a_100000105260_200000210301 [0,1,0,0,0,1|0,0,2]=4 873 B16R2.46345 CN1CCC(CC1)(C#N)c2ccccc2 34a_100000105260_200000210301 [0,1,0,0,0,1|0,0,2]=4 874 B16R2.46345 CN1CCC(CC1)(O[13CH3])c2ccccc2 7a_100000755193_200025704644 [0,1,0,0,0,1|2,0,0]=4 875 B16R2.46345 COC1(CCN(CC1)C)c2ccccc2 7a_100000755193_200000210301 [0,1,0,0,0,1|2,0,0]=4 876 B16R2.46345 [13CH3]N1CCC(CC1)(C#N)c2ccccc2 2230a_100000105260_200025704644 [0,1,0,0,0,1|0,0,2]=4 877 B16R2.46345 [13CH3]N1CCC(CC1)(C#N)c2ccccc2 269982a_100000105260_200025704644 [0,1,0,0,0,1|0,0,2]=4 878 B16R2.46345 [13CH3]N1CCC(CC1)(C#N)c2ccccc2 34a_100000105260_200025704644 [0,1,0,0,0,1|0,0,2]=4 879 B16R2.59469 COC1(CCNCC1)c2ccccc2C 34a_200000763583_200000210301 [0,1,0,0,0,1|2,0,0]=4 880 B16R2.59469 COC1(CCNCC1)c2ccccc2F 34a_100015333446_200000210301 [0,1,0,0,0,1|2,0,0]=4 881 B16R2.59469 Cc1ccccc1C2(CCNCC2)O[13CH3] 34a_200000763583_200025704644 [0,1,0,0,0,1|2,0,0]=4 882 B16R2.59469 [13CH3]OC1(CCNCC1)c2ccccc2F 34a_100015333446_200025704644 [0,1,0,0,0,1|2,0,0]=4 883 B16R2.11215 CCOC1(CCCC1)c2ccc(cc2)Br 34a_100010132842_100000210202 [0,2,0,0,0,0|1,0,0]=3 884 B16R2.11215 CCOC1(CCCC1)c2ccc(cc2)Br 7a_100010132842_100000210202 [0,2,0,0,0,0|1,0,0]=3 885 B16R2.11215 CNCC1(CCCC1)c2ccc(cc2)Cl 2230a_100000744792_200000210301 [0,2,0,0,0,0|0,0,0]=2 886 B16R2.11215 CNCC1(CCCC1)c2ccc(cc2)Cl 34a_100000744792_200000210301 [0,2,0,0,0,0|0,0,0]=2 887 B16R2.11215 CNCC1(CCCC1)c2ccc(cc2)F 2230a_100000740468_200000210301 [0,2,0,0,0,0|0,0,0]=2 888 B16R2.11215 CNCC1(CCCC1)c2ccc(cc2)F 34a_100000740468_200000210301 [0,2,0,0,0,0|0,0,0]=2 889 B16R2.11215 FCOC1(CCCC1)c2ccc(cc2)Br 34a_100010132842_100015361967 [0,2,0,0,0,0|1,0,0]=3 890 B16R2.11215 FCOC1(CCCC1)c2ccc(cc2)Br 7a_100010132842_100015361967 [0,2,0,0,0,0|1,0,0]=3 891 B16R2.11215 [13CH3]NCC1(CCCC1)c2ccc(cc2)Cl 2230a_100000744792_200025704644 [0,2,0,0,0,0|0,0,0]=2 892 B16R2.11215 [13CH3]NCC1(CCCC1)c2ccc(cc2)Cl 34a_100000744792_200025704644 [0,2,0,0,0,0|0,0,0]=2 893 B16R2.11215 [13CH3]NCC1(CCCC1)c2ccc(cc2)F 2230a_100000740468_200025704644 [0,2,0,0,0,0|0,0,0]=2 894 B16R2.11215 [13CH3]NCC1(CCCC1)c2ccc(cc2)F 34a_100000740468_200025704644 [0,2,0,0,0,0|0,0,0]=2 895 B16R2.13253 C=Cc1ccc(cc1)C2(CCCC2)C#N 271570a_100011290941_100000742353 [0,2,0,0,0,0|0,0,2]=4 896 B16R2.13253 CNc1ccc(cc1)C2(CCCC2)C#N 34a_100000243873_200000210301 [0,2,0,0,0,0|0,0,2]=4 897 B16R2.13253 CNc1ccc(cc1)C2(CCCC2)C#N 7a_100000243873_200000210301 [0,2,0,0,0,0|0,0,2]=4 898 B16R2.13253 CSc1ccc(cc1)C2(CCCC2)C#N 62a_100000742353_200000210301 [0,2,0,0,0,0|0,0,2]=4 899 B16R2.13253 CSc1ccc(cc1)C2(CCCC2)C#N 62a_200000210301_100000742353 [0,2,0,0,0,0|0,0,2]=4 900 B16R2.13253 [13CH3]Nc1ccc(cc1)C2(CCCC2)C#N 34a_100000243873_200025704644 [0,2,0,0,0,0|0,0,2]=4 901 B16R2.13253 [13CH3]Nc1ccc(cc1)C2(CCCC2)C#N 7a_100000243873_200025704644 [0,2,0,0,0,0|0,0,2]=4 902 B16R2.13253 [13CH3]Sc1ccc(cc1)C2(CCCC2)C#N 62a_100000742353_200025704644 [0,2,0,0,0,0|0,0,2]=4 903 B16R2.13253 [13CH3]Sc1ccc(cc1)C2(CCCC2)C#N 62a_200025704644_100000742353 [0,2,0,0,0,0|0,0,2]=4 904 B16R2.167673 CC(=O)C1(CCCC1)c2ccc(cc2)Br 1458a_100000243871_200000210301 [0,2,0,0,0,0|1,0,1]=4 905 B16R2.167673 CC(=O)C1(CCCC1)c2ccc(cc2)C 1458a_100000243870_200000210301 [0,2,0,0,0,0|1,0,1]=4 906 B16R2.167673 CC(=O)C1(CCCC1)c2ccc(cc2)Cl 1458a_100000211306_200000210301 [0,2,0,0,0,0|1,0,1]=4 907 B16R2.167673 CC(=O)C1(CCCC1)c2ccc(cc2)F 1458a_100000212201_200000210301 [0,2,0,0,0,0|1,0,1]=4 908 B16R2.167673 Cc1ccc(cc1)C2(CCCC2)C(=O)[13CH3] 1458a_100000243870_200025704644 [0,2,0,0,0,0|1,0,1]=4 909 B16R2.167673 [13CH3]C(=O)C1(CCCC1)c2ccc(cc2)Br 1458a_100000243871_200025704644 [0,2,0,0,0,0|1,0,1]=4 910 B16R2.167673 [13CH3]C(=O)C1(CCCC1)c2ccc(cc2)Cl 1458a_100000211306_200025704644 [0,2,0,0,0,0|1,0,1]=4 911 B16R2.167673 [13CH3]C(=O)C1(CCCC1)c2ccc(cc2)F 1458a_100000212201_200025704644 [0,2,0,0,0,0|1,0,1]=4 912 B16R2.11221 CCNC1(CCCC1)c2cccc(c2)Br 2230a_200011271485_100000210202 [0,2,0,0,0,0|1,0,0]=3 913 B16R2.11221 CCNC1(CCCC1)c2cccc(c2)Br 34a_200011271485_100000210202 [0,2,0,0,0,0|1,0,0]=3 914 B16R2.11221 CCOC1(CCCC1)c2cccc(c2)Br 34a_100010765679_100000210202 [0,2,0,0,0,0|1,0,0]=3 915 B16R2.11221 CCOC1(CCCC1)c2cccc(c2)Br 7a_100010765679_100000210202 [0,2,0,0,0,0|1,0,0]=3 916 B16R2.11221 CNCC1(CCCC1)c2cccc(c2)Br 2230a_200000690917_200000210301 [0,2,0,0,0,0|0,0,0]=2 917 B16R2.11221 CNCC1(CCCC1)c2cccc(c2)Br 34a_200000690917_200000210301 [0,2,0,0,0,0|0,0,0]=2 918 B16R2.11221 CNCC1(CCCC1)c2cccc(c2)Cl 2230a_100000744599_200000210301 [0,2,0,0,0,0|0,0,0]=2 919 B16R2.11221 CNCC1(CCCC1)c2cccc(c2)Cl 34a_100000744599_200000210301 [0,2,0,0,0,0|0,0,0]=2 920 B16R2.11221 CNCC1(CCCC1)c2cccc(c2)F 2230a_100015186653_200000210301 [0,2,0,0,0,0|0,0,0]=2 921 B16R2.11221 CNCC1(CCCC1)c2cccc(c2)F 34a_100015186653_200000210301 [0,2,0,0,0,0|0,0,0]=2 922 B16R2.11221 FCNC1(CCCC1)c2cccc(c2)Br 34a_200011271485_100015361967 [0,2,0,0,0,0|1,0,0]=3 923 B16R2.11221 FCOC1(CCCC1)c2cccc(c2)Br 34a_100010765679_100015361967 [0,2,0,0,0,0|1,0,0]=3 924 B16R2.11221 FCOC1(CCCC1)c2cccc(c2)Br 7a_100010765679_100015361967 [0,2,0,0,0,0|1,0,0]=3 925 B16R2.11221 [13CH3]NCC1(CCCC1)c2cccc(c2)Br 2230a_200000690917_200025704644 [0,2,0,0,0,0|0,0,0]=2 926 B16R2.11221 [13CH3]NCC1(CCCC1)c2cccc(c2)Br 34a_200000690917_200025704644 [0,2,0,0,0,0|0,0,0]=2 927 B16R2.11221 [13CH3]NCC1(CCCC1)c2cccc(c2)Cl 2230a_100000744599_200025704644 [0,2,0,0,0,0|0,0,0]=2 928 B16R2.11221 [13CH3]NCC1(CCCC1)c2cccc(c2)Cl 34a_100000744599_200025704644 [0,2,0,0,0,0|0,0,0]=2 929 B16R2.11221 [13CH3]NCC1(CCCC1)c2cccc(c2)F 2230a_100015186653_200025704644 [0,2,0,0,0,0|0,0,0]=2 930 B16R2.11221 [13CH3]NCC1(CCCC1)c2cccc(c2)F 34a_100015186653_200025704644 [0,2,0,0,0,0|0,0,0]=2 931 B16R2.56582 C=Cc1cccc(c1)C2(CCCC2)CN 271570a_100011290941_200000690917 [0,2,0,0,0,0|0,0,0]=2 932 B16R2.56582 CSc1cccc(c1)C2(CCCC2)CN 62a_200000210301_200000690917 [0,2,0,0,0,0|0,0,0]=2 933 B16R2.56582 CSc1cccc(c1)C2(CCCC2)CN 62a_200000690917_200000210301 [0,2,0,0,0,0|0,0,0]=2 934 B16R2.56582 [13CH3]Sc1cccc(c1)C2(CCCC2)CN 62a_200000690917_200025704644 [0,2,0,0,0,0|0,0,0]=2 935 B16R2.56582 [13CH3]Sc1cccc(c1)C2(CCCC2)CN 62a_200025704644_200000690917 [0,2,0,0,0,0|0,0,0]=2 936 B16R2.80695 CC(=O)C1(CCCC1)c2cccc(c2)Br 1458a_100000246807_200000210301 [0,2,0,0,0,0|1,0,1]=4 937 B16R2.80695 CC(=O)C1(CCCC1)c2cccc(c2)Cl 1458a_100000738555_200000210301 [0,2,0,0,0,0|1,0,1]=4 938 B16R2.80695 CC(=O)C1(CCCC1)c2cccc(c2)F 1458a_100000212212_200000210301 [0,2,0,0,0,0|1,0,1]=4 939 B16R2.80695 [13CH3]C(=O)C1(CCCC1)c2cccc(c2)Br 1458a_100000246807_200025704644 [0,2,0,0,0,0|1,0,1]=4 940 B16R2.80695 [13CH3]C(=O)C1(CCCC1)c2cccc(c2)Cl 1458a_100000738555_200025704644 [0,2,0,0,0,0|1,0,1]=4 941 B16R2.80695 [13CH3]C(=O)C1(CCCC1)c2cccc(c2)F 1458a_100000212212_200025704644 [0,2,0,0,0,0|1,0,1]=4 942 B16R2.6835 C#CCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000038162 [0,2,0,0,0,0|1,0,0]=3 943 B16R2.6835 C#CCNC1(CCCC1)c2ccccc2 34a_100025739779_100000184674 [0,2,0,0,0,0|1,0,0]=3 944 B16R2.6835 C=CCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000210623 [0,2,0,0,0,0|1,0,0]=3 945 B16R2.6835 C=CCNC1(CCCC1)c2ccccc2 34a_100025739779_100015514636 [0,2,0,0,0,0|1,0,0]=3 946 B16R2.6835 CCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000210303 [0,2,0,0,0,0|1,0,0]=3 947 B16R2.6835 CCCNC1(CCCC1)c2ccccc2 34a_100025739779_100000210303 [0,2,0,0,0,0|1,0,0]=3 948 B16R2.6835 CCNCC1(CCCC1)c2ccccc2 2230a_100000239588_100000210202 [0,2,0,0,0,0|0,0,0]=2 949 B16R2.6835 CCNCC1(CCCC1)c2ccccc2 34a_100000239588_100000210202 [0,2,0,0,0,0|0,0,0]=2 950 B16R2.6835 CCOCC1(CCCC1)c2ccccc2 34a_100000717885_100000210202 [0,2,0,0,0,0|1,0,0]=3 951 B16R2.6835 CCOCC1(CCCC1)c2ccccc2 7a_100000717885_100000210202 [0,2,0,0,0,0|1,0,0]=3 952 B16R2.6835 COCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000766300 [0,2,0,0,0,0|1,0,0]=3 953 B16R2.6835 CSCNC1(CCCC1)c2ccccc2 2230a_100025739779_100011218213 [0,2,0,0,0,0|1,0,0]=3 954 B16R2.6835 CSCNC1(CCCC1)c2ccccc2 34a_100025739779_100011218213 [0,2,0,0,0,0|1,0,0]=3 955 B16R2.6835 FCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100011217306 [0,2,0,0,0,0|1,0,0]=3 956 B16R2.6835 FCCNC1(CCCC1)c2ccccc2 34a_100025739779_100011217306 [0,2,0,0,0,0|1,0,0]=3 957 B16R2.6835 FCNCC1(CCCC1)c2ccccc2 34a_100000239588_100015361967 [0,2,0,0,0,0|0,0,0]=2 958 B16R2.6835 FCOCC1(CCCC1)c2ccccc2 34a_100000717885_100015361967 [0,2,0,0,0,0|1,0,0]=3 959 B16R2.6835 FCOCC1(CCCC1)c2ccccc2 7a_100000717885_100015361967 [0,2,0,0,0,0|1,0,0]=3 960 B16R2.6835 N#CCNC1(CCCC1)c2ccccc2 2230a_100025739779_100011215382 [0,2,0,0,0,0|0,0,1]=3 961 B16R2.6835 O=CCNC1(CCCC1)c2ccccc2 2230a_100025739779_200015260668 [0,2,0,0,0,0|1,0,0]=3 962 B16R2.6835 O=CCNC1(CCCC1)c2ccccc2 34a_100025739779_200009817547 [0,2,0,0,0,0|1,0,0]=3 963 B16R2.6835 OCCNC1(CCCC1)c2ccccc2 2230a_100025739779_100000211926 [0,2,0,0,0,0|1,0,0]=3 964 B16R2.6835 OCCNC1(CCCC1)c2ccccc2 34a_100025739779_100000211926 [0,2,0,0,0,0|1,0,0]=3 965 B16R2.27689 CC(=O)NC1(CCCC1)c2ccccc2 11a_100025739779_100015343762 [0,2,0,0,0,0|1,0,1]=4 966 B16R2.27689 CC(=O)NC1(CCCC1)c2ccccc2 1626a_100025739779_100015343762 [0,2,0,0,0,0|1,0,1]=4 967 B16R2.27689 CC(=O)NC1(CCCC1)c2ccccc2 240690a_100025739779_100015343762 [0,2,0,0,0,0|1,0,1]=4 968 B16R2.27689 CC(=O)NC1(CCCC1)c2ccccc2 527a_100025739779_100103153847 [0,2,0,0,0,0|1,0,1]=4 969 B16R2.27689 CC(C)NC1(CCCC1)c2ccccc2 2230a_100025739779_100000210206 [0,2,0,0,0,0|1,0,0]=3 970 B16R2.27689 CC(C)NC1(CCCC1)c2ccccc2 34a_100025739779_100000210206 [0,2,0,0,0,0|1,0,0]=3 971 B16R2.27689 CN(C)CC1(OCCO1)c2ccccc2 269982a_100102631434_200009995123 [0,2,0,0,0,0|2,0,0]=4 972 B16R2.33487 CCC(=O)C1(CCCC1)c2ccccc2 1458a_100000211583_100000210202 [0,2,0,0,0,0|1,0,0]=3 973 B16R2.33487 CNC(=O)C1(CCCC1)c2ccccc2 11a_106832991635_100000211583 [0,2,0,0,0,0|0,0,1]=3 974 B16R2.33487 CNC(=O)C1(CCCC1)c2ccccc2 1626a_100102657272_100000211583 [0,2,0,0,0,0|0,0,1]=3 975 B16R2.33487 CNC(=O)C1(CCCC1)c2ccccc2 240690a_100102657272_100000211583 [0,2,0,0,0,0|0,0,1]=3 976 B16R2.33487 O=C(CF)C1(CCCC1)c2ccccc2 1458a_100000211583_100015361967 [0,2,0,0,0,0|1,0,0]=3 977 B16R2.77616 CNCC1(CCCC1)c2ccccc2F 2230a_100011497517_200000210301 [0,2,0,0,0,0|0,0,0]=2 978 B16R2.77616 CNCC1(CCCC1)c2ccccc2F 34a_100011497517_200000210301 [0,2,0,0,0,0|0,0,0]=2 979 B16R2.77616 [13CH3]NCC1(CCCC1)c2ccccc2F 2230a_100011497517_200025704644 [0,2,0,0,0,0|0,0,0]=2 980 B16R2.77616 [13CH3]NCC1(CCCC1)c2ccccc2F 34a_100011497517_200025704644 [0,2,0,0,0,0|0,0,0]=2 981 B16R2.84013 CC(=O)C1(CCCC1)c2ccccc2F 1458a_100000212013_200000210301 [0,2,0,0,0,0|1,0,1]=4 982 B16R2.84013 [13CH3]C(=O)C1(CCCC1)c2ccccc2F 1458a_100000212013_200025704644 [0,2,0,0,0,0|1,0,1]=4 983 B12R0.351 C=CC=CC(=O)C(CC)CCCC 1458a_100016291481_200011216223 [0,0,2,0,0,0|2,0,0]=4 984 B12R0.24 C=CC=CC(=O)C(C)(CC)CCC 1458a_100016291481_200000040151 [0,0,2,0,0,0|2,0,0]=4 985 B12R0.456 C=CC=CC(=O)C(CC)(CC)CC 1458a_100016291481_200010884430 [0,0,2,0,0,0|2,0,0]=4 986 B14R2.3 CCCCc1n[nH]c2c1cccc2 271570a_100020621405_100000050141 [0,0,1,1,0,0|1,0,1]=4 987 B14R2.3 CCCNC1CCc2c1cccc2 269862a_100020643023_100000212051 [0,0,1,1,0,0|2,0,0]=4 988 B14R2.3 CCCNC1COc2c1cccc2 2230a_100000747519_100000210303 [0,0,1,1,0,0|2,0,0]=4 989 B14R2.3 CCCN[C@H]1CCc2c1cccc2 2230a_100016989578_100000210303 [0,0,1,1,0,0|2,0,0]=4 990 B14R2.3 CCCN[C@H]1CCc2c1cccc2 34a_100016989578_100000210303 [0,0,1,1,0,0|2,0,0]=4 991 B14R2.3 CCCOC1CCc2c1cccc2 34a_100000212247_100000210303 [0,0,1,1,0,0|2,0,0]=4 992 B14R2.3 CCCOC1CCc2c1cccc2 7a_100000212247_100000210303 [0,0,1,1,0,0|2,0,0]=4 993 B14R2.3 CCCSC1CCc2c1cccc2 62a_100000210303_200000721974 [0,0,1,1,0,0|2,0,0]=4 994 B14R2.3 CCNCC1CCc2c1cccc2 2230a_100020632452_100000210202 [0,0,1,1,0,0|2,0,0]=4 995 B14R2.3 CCNCC1CCc2c1cccc2 34a_100020632452_100000210202 [0,0,1,1,0,0|2,0,0]=4 996 B14R2.8 CCN1CCC(C1)c2ccccc2 2230a_100000747531_100000210202 [0,0,1,1,0,0|2,0,0]=4 997 B14R2.8 CCN1CCC(C1)c2ccccc2 269982a_100000747531_100000204670 [0,0,1,1,0,0|2,0,0]=4 998 B14R2.8 CCN1CCC(C1)c2ccccc2 34a_100000747531_100000210202 [0,0,1,1,0,0|2,0,0]=4 999 B14R2.8 CNC1CCC(C1)c2ccccc2 270004a_106832991635_100000750937 [0,0,1,1,0,0|2,0,0]=4 1000 B14R2.24 CN1CCCCC1c2ccccc2 2230a_100000707174_200000210301 [0,0,1,1,0,0|2,0,0]=4 1001 B14R2.24 CN1CCCCC1c2ccccc2 269982a_100000707174_200000210301 [0,0,1,1,0,0|2,0,0]=4 1002 B14R2.24 CN1CCCCC1c2ccccc2 34a_100000707174_200000210301 [0,0,1,1,0,0|2,0,0]=4 1003 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 2230a_100000707174_200025704644 [0,0,1,1,0,0|2,0,0]=4 1004 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 269982a_100000707174_200025704644 [0,0,1,1,0,0|2,0,0]=4 1005 B14R2.24 [13CH3]N1CCCCC1c2ccccc2 34a_100000707174_200025704644 [0,0,1,1,0,0|2,0,0]=4 1006 B14R2.35 CCCN1CCC1c2ccccc2 2230a_100000739605_100000210303 [0,0,1,1,0,0|2,0,0]=4 1007 B14R2.35 CCCN1CCC1c2ccccc2 269982a_100000739605_100000210303 [0,0,1,1,0,0|2,0,0]=4 1008 B14R2.68 CN1CCC(CC1)c2ccccc2 2230a_100000736203_200000210301 [0,0,1,1,0,0|2,0,0]=4 1009 B14R2.68 CN1CCC(CC1)c2ccccc2 269982a_100000736203_200000210301 [0,0,1,1,0,0|2,0,0]=4 1010 B14R2.68 CN1CCC(CC1)c2ccccc2 34a_100000736203_200000210301 [0,0,1,1,0,0|2,0,0]=4 1011 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 2230a_100000736203_200025704644 [0,0,1,1,0,0|2,0,0]=4 1012 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 269982a_100000736203_200025704644 [0,0,1,1,0,0|2,0,0]=4 1013 B14R2.68 [13CH3]N1CCC(CC1)c2ccccc2 34a_100000736203_200025704644 [0,0,1,1,0,0|2,0,0]=4 1014 B14R2.995 CCCNC1(CC1)c2ccccc2 2230a_100000749958_100000210303 [0,0,1,1,0,0|2,0,0]=4 1015 B14R2.995 CCNCC1(CC1)c2ccccc2 2230a_100000242008_100000210202 [0,0,1,1,0,0|2,0,0]=4 1016 B14R2.995 CCNCC1(CC1)c2ccccc2 34a_100000242008_100000210202 [0,0,1,1,0,0|2,0,0]=4 1017 B14R2.995 CCOCC1(CC1)c2ccccc2 34a_100000704256_100000210202 [0,0,1,1,0,0|2,0,0]=4 1018 B14R2.995 CCOCC1(CC1)c2ccccc2 7a_100000704256_100000210202 [0,0,1,1,0,0|2,0,0]=4 1019 B14R2.1131 CNC1CCC(c2c1cccc2)C 269862a_106832991636_100000689179 [0,0,1,1,0,0|2,0,0]=4 1020 B14R2.1256 CCC(OC1CC1)c2ccccc2 34a_100000698172_100000211595 [0,0,1,1,0,0|2,0,0]=4 1021 B14R2.1256 CCN(CC1CC1)c2ccccc2 2230a_100000210013_100000742324 [0,0,1,1,0,0|2,0,0]=4 1022 B14R2.1256 CCN(CC1CC1)c2ccccc2 269982a_100000210013_100000756562 [0,0,1,1,0,0|2,0,0]=4 1023 B14R2.1256 CCN(CC1CC1)c2ccccc2 34a_100000210013_100000742324 [0,0,1,1,0,0|2,0,0]=4 1024 B14R2.1256 ClC[C@@H](OC1CC1)c2ccccc2 34a_100011933945_100000211595 [0,0,1,1,0,0|2,0,0]=4 1025 B14R2.1256 NCC(OC1CC1)c2ccccc2 34a_100000210709_100000211595 [0,0,1,1,0,0|1,0,0]=3 1026 B14R2.1256 OC[C@@H](NC1CC1)c2ccccc2 34a_100000751927_100000211595 [0,0,1,1,0,0|2,0,0]=4 1027 B14R2.2014 CNC1CCCCc2c1cccc2 269862a_106832991636_100000184060 [0,0,1,1,0,0|2,0,0]=4 1028 B14R2.2850 CCN(c1ccccc1)C2CCC2 269982a_100000210013_100000749161 [0,0,1,1,0,0|2,0,0]=4 1029 B14R2.2850 CCN(c1ccccc1)C2CCC2 34a_100000210013_100000749161 [0,0,1,1,0,0|2,0,0]=4 1030 B14R2.2850 CNC(c1ccccc1)C2CCC2 269862a_106832991636_100011215208 [0,0,1,1,0,0|2,0,0]=4 1031 B14R2.2850 CN[C@@H](c1ccccc1)C2CCC2 2230a_100025717287_200000210301 [0,0,1,1,0,0|2,0,0]=4 1032 B14R2.2850 CN[C@@H](c1ccccc1)C2CCC2 34a_100025717287_200000210301 [0,0,1,1,0,0|2,0,0]=4 1033 B14R2.2850 [13CH3]N[C@@H](c1ccccc1)C2CCC2 2230a_100025717287_200025704644 [0,0,1,1,0,0|2,0,0]=4 1034 B14R2.2850 [13CH3]N[C@@H](c1ccccc1)C2CCC2 34a_100025717287_200025704644 [0,0,1,1,0,0|2,0,0]=4 1035 B14R2.3328 CC(O[13CH3])(c1ccccc1)C2CC2 34a_100011216778_200025704644 [0,0,1,1,0,0|2,0,0]=4 1036 B14R2.3328 CC(O[13CH3])(c1ccccc1)C2CC2 7a_100011216778_200025704644 [0,0,1,1,0,0|2,0,0]=4 1037 B14R2.3328 COC(C)(c1ccccc1)C2CC2 34a_100011216778_200000210301 [0,0,1,1,0,0|2,0,0]=4 1038 B14R2.3328 COC(C)(c1ccccc1)C2CC2 7a_100011216778_200000210301 [0,0,1,1,0,0|2,0,0]=4 1039 B14R2.3459 CC1(CCCc2c1cccc2)O[13CH3] 34a_200011345745_200025704644 [0,0,1,1,0,0|2,0,0]=4 1040 B14R2.3459 CC1(CCCc2c1cccc2)O[13CH3] 7a_200011345745_200025704644 [0,0,1,1,0,0|2,0,0]=4 1041 B14R2.3459 COC1(CCCc2c1cccc2)C 34a_200011345745_200000210301 [0,0,1,1,0,0|2,0,0]=4 1042 B14R2.3459 COC1(CCCc2c1cccc2)C 7a_200011345745_200000210301 [0,0,1,1,0,0|2,0,0]=4 1043 B14R2.9718 CCOC1(CCc2c1cccc2)C 34a_100000685031_100000210202 [0,0,1,1,0,0|2,0,0]=4 1044 B14R2.9718 CCOC1(CCc2c1cccc2)C 7a_100000685031_100000210202 [0,0,1,1,0,0|2,0,0]=4 1045 B16R3.444508 Oc1ccc2c(c1)C3(CCCC3)CN2 271570a_203496583355_100000756798 [0,1,0,1,0,0|0,0,0]=2 1046 B12R1.36 CCCOC(CN)c1ccco1 34a_100000738650_100000210303 [0,0,1,0,1,0|2,0,0]=4 1047 B12R1.36 CCCOC(CN)c1ccsc1 34a_100000758718_100000210303 [0,0,1,0,1,0|2,0,0]=4 1048 B12R2.48 CNC1(CC1)c2ccccc2 2230a_100000749958_200000210301 [0,0,0,0,2,0|2,0,0]=4 1049 B12R2.48 [13CH3]NC1(CC1)c2ccccc2 2230a_100000749958_200025704644 [0,0,0,0,2,0|2,0,0]=4 1050 B14R1.467 CCCCC(CC)Nc1ccccc1 34a_100000106764_200011216223 [0,0,1,0,0,1|1,0,0]=3 1051 B14R1.467 CCCCC(CC)Oc1ccccc1 34a_100000210340_200011216223 [0,0,1,0,0,1|1,0,0]=3 1052 B14R1.467 CCCCC(CC)Oc1ccccc1 7a_100000210340_200011216223 [0,0,1,0,0,1|1,0,0]=3 1053 B14R1.467 CCCCC(CC)Oc1cccnc1 34a_100000210849_200011216223 [0,0,1,0,0,1|2,0,0]=4 1054 B14R1.467 CCCCC(CC)Oc1cccnc1 7a_100000210849_200011216223 [0,0,1,0,0,1|2,0,0]=4 1055 B14R1.467 CCCCC(CC)Oc1ccncc1 34a_100000212176_200011216223 [0,0,1,0,0,1|2,0,0]=4 1056 B14R1.467 CCCCC(CC)Sc1ccccc1 62a_100000719477_200011216223 [0,0,1,0,0,1|1,0,0]=3 1057 B14R1.467 CCCCC(CC)Sc1ccccc1 62a_200011216223_100000041952 [0,0,1,0,0,1|1,0,0]=3 1058 B14R1.467 CCCCC(CC)Sc1ccccn1 62a_100011216584_200011216223 [0,0,1,0,0,1|2,0,0]=4 1059 B14R1.467 CCCCC(CC)Sc1ccccn1 62a_200011216223_100011216584 [0,0,1,0,0,1|2,0,0]=4 1060 B14R1.467 CCCCC(CC)Sc1cccnc1 62a_100000210063_200011216223 [0,0,1,0,0,1|2,0,0]=4 1061 B14R1.467 CCCCC(CC)Sc1cccnc1 62a_200011216223_100000210063 [0,0,1,0,0,1|2,0,0]=4 1062 B14R1.467 CCCCC(CC)Sc1ccncc1 62a_100000728582_200011216223 [0,0,1,0,0,1|2,0,0]=4 1063 B14R1.467 CCCCC(CC)Sc1ccncc1 62a_200011216223_100000728582 [0,0,1,0,0,1|2,0,0]=4 1064 B14R1.467 CCCCC(Cc1ccccc1)NC 270004a_106832991635_200011218368 [0,0,1,0,0,1|2,0,0]=4 1065 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_100000186914_100000210211 [0,0,1,0,0,1|2,0,0]=4 1066 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_100000207695_100015291786 [0,0,1,0,0,1|2,0,0]=4 1067 B14R1.467 CCCCN(CC)Cc1ccccc1 2230a_200000196024_100000210202 [0,0,1,0,0,1|2,0,0]=4 1068 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_100000186914_100000210211 [0,0,1,0,0,1|2,0,0]=4 1069 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_100000207695_100000211182 [0,0,1,0,0,1|2,0,0]=4 1070 B14R1.467 CCCCN(CC)Cc1ccccc1 269982a_200000196024_100000204670 [0,0,1,0,0,1|2,0,0]=4 1071 B14R1.467 CCCCN(CC)Cc1ccccc1 270004a_100000207695_100015611070 [0,0,1,0,0,1|2,0,0]=4 1072 B14R1.467 CCCCN(CF)Cc1ccccc1 269982a_200000196024_100015361967 [0,0,1,0,0,1|2,0,0]=4 1073 B14R1.467 CCCNC(CC)Cc1ccccc1 270004a_100020643023_100000212045 [0,0,1,0,0,1|2,0,0]=4 1074 B14R1.467 CCCNC(CO)Cc1ccccc1 2230a_100000739027_100000210303 [0,0,1,0,0,1|2,0,0]=4 1075 B14R1.467 CCCOC(CC)Cc1ccccc1 7a_100000760156_100000210303 [0,0,1,0,0,1|2,0,0]=4 1076 B14R1.467 CCCOC(CN)Cc1ccccc1 34a_100000752270_100000210303 [0,0,1,0,0,1|1,0,0]=3 1077 B14R1.467 CCCO[C@H](CCl)Cc1ccccc1 7a_100000729385_100000210303 [0,0,1,0,0,1|2,0,0]=4 1078 B14R1.467 CCNCC(CO)Cc1ccccc1 34a_100160572655_100000210202 [0,0,1,0,0,1|2,0,0]=4 1079 B14R1.467 CCOCC(CN)Cc1ccccc1 34a_100160572655_100000210202 [0,0,1,0,0,1|1,0,0]=3 1080 B14R1.467 CSCOC(CN)Cc1ccccc1 34a_100000752270_100011218213 [0,0,1,0,0,1|2,0,0]=4 1081 B14R1.467 NCC(COCF)Cc1ccccc1 34a_100160572655_100015361967 [0,0,1,0,0,1|2,0,0]=4 1082 B14R1.467 NCC(Cc1ccccc1)OCCF 34a_100000752270_100011217306 [0,0,1,0,0,1|2,0,0]=4 1083 B14R1.467 NCC(Cc1ccccc1)OCCO 34a_100000752270_100000211926 [0,0,1,0,0,1|2,0,0]=4 1084 B14R1.6710 CCCC(C)(CC)Oc1ccccc1 7a_100000210340_200000040151 [0,0,1,0,0,1|1,0,0]=3 1085 B14R1.6710 CCCC(C)(CC)Oc1cccnc1 7a_100000210849_200000040151 [0,0,1,0,0,1|2,0,0]=4 1086 B14R1.6710 CCCC(C)(CC)Sc1ccccc1 62a_100000719477_200000040151 [0,0,1,0,0,1|1,0,0]=3 1087 B14R1.6710 CCCC(C)(CC)Sc1ccccc1 62a_200000040151_100000041952 [0,0,1,0,0,1|1,0,0]=3 1088 B14R1.6710 CCCC(C)(CC)Sc1ccccn1 62a_100011216584_200000040151 [0,0,1,0,0,1|2,0,0]=4 1089 B14R1.6710 CCCC(C)(CC)Sc1ccccn1 62a_200000040151_100011216584 [0,0,1,0,0,1|2,0,0]=4 1090 B14R1.6710 CCCC(C)(CC)Sc1cccnc1 62a_100000210063_200000040151 [0,0,1,0,0,1|2,0,0]=4 1091 B14R1.6710 CCCC(C)(CC)Sc1cccnc1 62a_200000040151_100000210063 [0,0,1,0,0,1|2,0,0]=4 1092 B14R1.6710 CCCC(C)(CC)Sc1ccncc1 62a_100000728582_200000040151 [0,0,1,0,0,1|2,0,0]=4 1093 B14R1.6710 CCCC(C)(CC)Sc1ccncc1 62a_200000040151_100000728582 [0,0,1,0,0,1|2,0,0]=4 1094 B14R1.6710 CCOC(C)(CC)Cc1ccccc1 7a_100011346069_100000210202 [0,0,1,0,0,1|2,0,0]=4 1095 B14R1.6936 CCC(CC)(CC)Oc1ccccc1 7a_100000210340_200010884430 [0,0,1,0,0,1|1,0,0]=3 1096 B14R1.6936 CCC(CC)(CC)Oc1cccnc1 7a_100000210849_200010884430 [0,0,1,0,0,1|2,0,0]=4 1097 B14R1.6936 CCC(CC)(CC)Sc1ccccc1 62a_100000719477_200010884430 [0,0,1,0,0,1|1,0,0]=3 1098 B14R1.6936 CCC(CC)(CC)Sc1ccccc1 62a_200010884430_100000041952 [0,0,1,0,0,1|1,0,0]=3 1099 B14R1.6936 CCC(CC)(CC)Sc1ccccn1 62a_100011216584_200010884430 [0,0,1,0,0,1|2,0,0]=4 1100 B14R1.6936 CCC(CC)(CC)Sc1ccccn1 62a_200010884430_100011216584 [0,0,1,0,0,1|2,0,0]=4 1101 B14R1.6936 CCC(CC)(CC)Sc1cccnc1 62a_100000210063_200010884430 [0,0,1,0,0,1|2,0,0]=4 1102 B14R1.6936 CCC(CC)(CC)Sc1cccnc1 62a_200010884430_100000210063 [0,0,1,0,0,1|2,0,0]=4 1103 B14R1.6936 CCC(CC)(CC)Sc1ccncc1 62a_100000728582_200010884430 [0,0,1,0,0,1|2,0,0]=4 1104 B14R1.6936 CCC(CC)(CC)Sc1ccncc1 62a_200010884430_100000728582 [0,0,1,0,0,1|2,0,0]=4 1105 B16R2.47251 C#CC1(CCCC1)OCc2ccccc2 34a_100000189447_100015291786 [0,0,0,0,0,2|1,0,1]=4 1106 B16R2.47251 C#CC1(CCCC1)OCc2ccccc2 7a_100000189447_100000211182 [0,0,0,0,0,2|1,0,1]=4 1107 B16R2.47251 CCC1(CCCC1)NCc2ccccc2 207a_100015183760_100015611070 [0,0,0,0,0,2|1,0,0]=3 1108 B16R2.47251 CCC1(CCCC1)NCc2ccccc2 2230a_100015183760_100015291786 [0,0,0,0,0,2|1,0,0]=3 1109 B16R2.47251 CCC1(CCCC1)NCc2ccccc2 270004a_100015183760_100015611070 [0,0,0,0,0,2|1,0,0]=3 1110 B16R2.47251 CCC1(CCCC1)NCc2ccccn2 207a_100015183760_100000209966 [0,0,0,0,0,2|2,0,0]=4 1111 B16R2.47251 CCC1(CCCC1)NCc2ccccn2 2230a_100015183760_100000721315 [0,0,0,0,0,2|2,0,0]=4 1112 B16R2.47251 CCC1(CCCC1)NCc2ccccn2 270004a_100015183760_100000209966 [0,0,0,0,0,2|2,0,0]=4 1113 B16R2.47251 CCC1(CCCC1)NCc2cccnc2 207a_100015183760_100000209961 [0,0,0,0,0,2|2,0,0]=4 1114 B16R2.47251 CCC1(CCCC1)NCc2cccnc2 2230a_100015183760_100000741622 [0,0,0,0,0,2|2,0,0]=4 1115 B16R2.47251 CCC1(CCCC1)NCc2cccnc2 270004a_100015183760_100000209961 [0,0,0,0,0,2|2,0,0]=4 1116 B16R2.47251 CCC1(CCCC1)NCc2ccncc2 207a_100015183760_100000186114 [0,0,0,0,0,2|2,0,0]=4 1117 B16R2.47251 CCC1(CCCC1)NCc2ccncc2 2230a_100015183760_100015193705 [0,0,0,0,0,2|2,0,0]=4 1118 B16R2.47251 CCC1(CCCC1)OCc2ccccc2 7a_100000752416_100000211182 [0,0,0,0,0,2|1,0,0]=3 1119 B16R2.47251 CCC1(CCCC1)OCc2ccccn2 7a_100000752416_100000721315 [0,0,0,0,0,2|2,0,0]=4 1120 B16R2.47251 CCC1(CCCC1)OCc2cccnc2 7a_100000752416_100000741622 [0,0,0,0,0,2|2,0,0]=4 1121 B16R2.47251 CCC1(CCCC1)OCc2ccncc2 7a_100000752416_100015193705 [0,0,0,0,0,2|2,0,0]=4 1122 B16R2.47251 N#CC1(CCCC1)NCc2ccccc2 34a_100000738132_100015291786 [0,0,0,0,0,2|0,0,2]=4 1123 B16R2.47251 N#CC1(CCCC1)OCc2ccccc2 34a_100000744759_100015291786 [0,0,0,0,0,2|0,0,2]=4 1124 B16R2.47251 N#CC1(CCCC1)OCc2ccccc2 7a_100000744759_100000211182 [0,0,0,0,0,2|0,0,2]=4 1125 B16R2.47251 NCC1(CCCC1)OCc2ccccc2 34a_100000737848_100015291786 [0,0,0,0,0,2|0,0,0]=2 1126 B16R2.47251 NCC1(CCCC1)OCc2ccccn2 34a_100000737848_100000721315 [0,0,0,0,0,2|1,0,0]=3 1127 B16R2.47251 NCC1(CCCC1)OCc2cccnc2 34a_100000737848_100000733263 [0,0,0,0,0,2|1,0,0]=3 1128 B16R2.47251 NCC1(CCCC1)OCc2cccnn2 34a_100000737848_100016990269 [0,0,0,0,0,2|2,0,0]=4 1129 B16R2.47251 NCC1(CCCC1)OCc2cnccn2 34a_100000737848_100016995436 [0,0,0,0,0,2|2,0,0]=4 1130 B16R2.47251 NCC1(CCCC1)OCc2cncnc2 34a_100000737848_100015196519 [0,0,0,0,0,2|2,0,0]=4 1131 B16R2.47251 NCC1(CCCC1)OCc2ncccn2 34a_100000737848_100000703007 [0,0,0,0,0,2|2,0,0]=4 1132 B16R2.47251 OCC1(CCCC1)NCc2ccccc2 207a_100000749328_100015611070 [0,0,0,0,0,2|1,0,0]=3 1133 B16R2.47251 OCC1(CCCC1)NCc2ccccc2 2230a_100000749328_100015291786 [0,0,0,0,0,2|1,0,0]=3 1134 B16R2.47251 OCC1(CCCC1)NCc2ccccc2 270004a_100000749328_100015611070 [0,0,0,0,0,2|1,0,0]=3 1135 B16R2.47251 OCC1(CCCC1)NCc2ccccc2 34a_100000749328_100015291786 [0,0,0,0,0,2|1,0,0]=3 1136 B16R2.47251 OCC1(CCCC1)NCc2ccccn2 207a_100000749328_100000209966 [0,0,0,0,0,2|2,0,0]=4 1137 B16R2.47251 OCC1(CCCC1)NCc2ccccn2 2230a_100000749328_100000721315 [0,0,0,0,0,2|2,0,0]=4 1138 B16R2.47251 OCC1(CCCC1)NCc2ccccn2 270004a_100000749328_100000209966 [0,0,0,0,0,2|2,0,0]=4 1139 B16R2.47251 OCC1(CCCC1)NCc2ccccn2 34a_100000749328_100000721315 [0,0,0,0,0,2|2,0,0]=4 1140 B16R2.47251 OCC1(CCCC1)NCc2cccnc2 207a_100000749328_100000209961 [0,0,0,0,0,2|2,0,0]=4 1141 B16R2.47251 OCC1(CCCC1)NCc2cccnc2 2230a_100000749328_100000741622 [0,0,0,0,0,2|2,0,0]=4 1142 B16R2.47251 OCC1(CCCC1)NCc2cccnc2 270004a_100000749328_100000209961 [0,0,0,0,0,2|2,0,0]=4 1143 B16R2.47251 OCC1(CCCC1)NCc2cccnc2 34a_100000749328_100000733263 [0,0,0,0,0,2|2,0,0]=4 1144 B16R2.47251 OCC1(CCCC1)NCc2ccncc2 207a_100000749328_100000186114 [0,0,0,0,0,2|2,0,0]=4 1145 B16R2.47251 OCC1(CCCC1)NCc2ccncc2 2230a_100000749328_100015193705 [0,0,0,0,0,2|2,0,0]=4 1146 B16R2.8136 CNC1(CCCCCC1)c2ccccc2 2230a_100016987325_200000210301 [0,0,0,0,0,2|2,0,0]=4 1147 B16R2.8136 CNC1(CCCCCC1)c2ccccc2 34a_100016987325_200000210301 [0,0,0,0,0,2|2,0,0]=4 1148 B16R2.8136 [13CH3]NC1(CCCCCC1)c2ccccc2 2230a_100016987325_200025704644 [0,0,0,0,0,2|2,0,0]=4 1149 B16R2.8136 [13CH3]NC1(CCCCCC1)c2ccccc2 34a_100016987325_200025704644 [0,0,0,0,0,2|2,0,0]=4