0 B15R1.78 C#CCCNC(=O)\C=C\c1ccccc1 Amb21942377 [0,0,0,0,0,0|1,0,2]=3 1 B15R1.78 CCCCCC(=O)NCc1ccccc1 Amb3360906 [0,0,0,0,0,0|2,0,1]=3 2 B15R1.78 CCCCCC(=O)OCc1ccccc1 Amb22734264 [0,0,0,0,0,0|2,0,1]=3 3 B15R1.78 CCCCNC(=O)CNc1ccccc1 Amb17140118 [0,0,0,0,0,0|2,0,1]=3 4 B15R1.78 CCCCNC(=O)OCc1ccccc1 Amb3988246 [0,0,0,0,0,0|2,0,1]=3 5 B15R1.78 CCCCNC(=S)NCc1ccccc1 Amb4292907 [0,0,0,0,0,0|2,1,1]=4 6 B15R1.78 CCCCOC(=O)NCc1ccccc1 Amb3106123 [0,0,0,0,0,0|1,0,1]=2 7 B15R1.78 CCCCOC(=O)\C=C\c1ccccc1 Amb8392073 [0,0,0,0,0,0|0,0,0]=0 8 B15R1.78 CCCONC(=O)NCc1ccccc1 Amb28326072 [0,0,0,0,0,0|3,0,1]=4 9 B15R1.78 CNCCCC(=O)OCc1ccccc1 Amb27610831 [0,0,0,0,0,0|3,0,1]=4 10 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb10604122 [0,0,0,0,0,0|3,0,1]=4 11 B15R1.78 CNCCNC(=O)OCc1ccccc1 Amb19889524 [0,0,0,0,0,0|3,0,1]=4 12 B15R1.78 COCCCC(=O)OCc1ccccc1 Amb29838335 [0,0,0,0,0,0|3,0,1]=4 13 B15R1.78 COCCNC(=O)CNc1ccccc1 Amb10613754 [0,0,0,0,0,0|3,0,1]=4 14 B15R1.78 COCCNC(=O)OCc1ccccc1 Amb25866758 [0,0,0,0,0,0|3,0,1]=4 15 B15R1.78 COCCOC(=O)NCc1ccccc1 Amb26637588 [0,0,0,0,0,0|2,0,1]=3 16 B15R1.78 CSCCNC(=O)NCc1ccccc1 Amb27488066 [0,0,0,0,0,0|3,0,1]=4 17 B15R1.78 CSCCNC(=O)OCc1ccccc1 Amb27601087 [0,0,0,0,0,0|3,0,1]=4 18 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb17608237 [0,0,0,0,0,0|3,0,1]=4 19 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb24271768 [0,0,0,0,0,0|3,0,1]=4 20 B15R1.78 NCCCCC(=O)OCc1ccccc1 Amb26477625 [0,0,0,0,0,0|3,0,1]=4 21 B15R1.78 NCCCNC(=O)OCc1ccccc1 Amb10844746 [0,0,0,0,0,0|3,0,1]=4 22 B15R1.78 NCCCNC(=O)OCc1ccccc1 Amb2719986 [0,0,0,0,0,0|3,0,1]=4 23 B15R1.78 NCCCNC(=O)\C=C\c1ccccc1 Amb32652076 [0,0,0,0,0,0|2,0,0]=2 24 B15R1.78 NCCCNC(=O)\C=C\c1ccccc1 Amb32652077 [0,0,0,0,0,0|2,0,0]=2 25 B15R1.78 O=C(CCCCBr)NCc1ccccc1 Amb17274561 [0,0,0,0,0,0|3,0,1]=4 26 B15R1.78 O=C(CCCCO)NCc1ccccc1 Amb8593338 [0,0,0,0,0,0|3,0,1]=4 27 B15R1.78 O=C(CCCCO)OCc1ccccc1 Amb25832761 [0,0,0,0,0,0|3,0,1]=4 28 B15R1.78 O=C(NCCCBr)OCc1ccccc1 Amb10608829 [0,0,0,0,0,0|3,0,1]=4 29 B15R1.78 O=C(NCCCCl)OCc1ccccc1 Amb28343008 [0,0,0,0,0,0|3,0,1]=4 30 B15R1.78 O=C(NCCCF)OCc1ccccc1 Amb28197434 [0,0,0,0,0,0|3,0,1]=4 31 B15R1.78 O=C(NCCCI)OCc1ccccc1 Amb26471798 [0,0,0,0,0,0|3,0,1]=4 32 B15R1.78 O=C(NCCCO)OCc1ccccc1 Amb9273969 [0,0,0,0,0,0|3,0,1]=4 33 B15R1.78 O=C(NCc1ccccc1)OCCCBr Amb28388474 [0,0,0,0,0,0|2,0,1]=3 34 B15R1.78 O=C(\C=C\c1ccccc1)NCCCO Amb5799195 [0,0,0,0,0,0|2,0,0]=2 35 B15R1.78 [NH3+]CCCNC(=O)OCc1ccccc1 Amb22452694 [0,0,0,0,0,0|3,0,1]=4 36 B14R1.123 CCCCNC\C=C\c1ccccc1 Amb6864531 [1,0,0,0,0,0|1,0,1]=3 37 B14R1.123 CCCCNC\C=C\c1ccccc1 Amb8450614 [1,0,0,0,0,0|1,0,1]=3 38 B14R1.123 COCCNC\C=C\c1ccccc1 Amb1925718 [1,0,0,0,0,0|2,0,1]=4 39 B14R1.123 COCCNC\C=C\c1ccccc1 Amb6865440 [1,0,0,0,0,0|2,0,1]=4 40 B14R1.123 ClCCCOC\C=C\c1ccccc1 Amb24113677 [1,0,0,0,0,0|1,0,1]=3 41 B14R1.123 N#CCCOC\C=C\c1ccccc1 Amb24113652 [1,0,0,0,0,0|1,0,2]=4 42 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb1926882 [1,0,0,0,0,0|2,0,1]=4 43 B14R1.123 OCCCNC\C=C\c1ccccc1 Amb2114455 [1,0,0,0,0,0|2,0,1]=4 44 B14R1.156 C=CCOC(=O)\C=C\c1ccccc1 Amb6358001 [1,0,0,0,0,0|0,0,2]=3 45 B14R1.156 CCCCC(=N)NCc1ccccc1 Amb27747036 [1,0,0,0,0,0|2,0,1]=4 46 B14R1.156 CCCCC(=O)NCc1ccccc1 Amb3363781 [1,0,0,0,0,0|1,0,1]=3 47 B14R1.156 CCCNC(=O)CSc1ccccc1 Amb93776 [1,0,0,0,0,0|2,0,1]=4 48 B14R1.156 CCCNC(=O)NCc1ccccc1 Amb2236970 [1,0,0,0,0,0|2,0,1]=4 49 B14R1.156 CCCNC(=O)NNc1ccccc1 Amb27189074 [1,0,0,0,0,0|3,0,0]=4 50 B14R1.156 CCCOC(=O)NCc1ccccc1 Amb3101958 [1,0,0,0,0,0|1,0,1]=3 51 B14R1.156 CCCOC(=O)OCc1ccccc1 Amb27976572 [1,0,0,0,0,0|1,0,1]=3 52 B14R1.156 CCNCC(=O)C#Cc1ccccc1 Amb28142910 [1,0,0,0,0,0|1,0,2]=4 53 B14R1.156 CCNCC(=O)OCc1ccccc1 Amb19079330 [1,0,0,0,0,0|2,0,1]=4 54 B14R1.156 CCOCC(=O)C#Cc1ccccc1 Amb27829374 [1,0,0,0,0,0|1,0,2]=4 55 B14R1.156 CCSCC(=O)NCc1ccccc1 Amb28076986 [1,0,0,0,0,0|2,0,1]=4 56 B14R1.156 CNCCC(=O)NCc1ccccc1 Amb19073978 [1,0,0,0,0,0|2,0,1]=4 57 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb19061708 [1,0,0,0,0,0|2,0,1]=4 58 B14R1.156 CNCCC(=O)OCc1ccccc1 Amb33330108 [1,0,0,0,0,0|2,0,1]=4 59 B14R1.156 COCCC(=O)NCc1ccccc1 Amb28384929 [1,0,0,0,0,0|2,0,1]=4 60 B14R1.156 CSCCC(=O)NCc1ccccc1 Amb25311912 [1,0,0,0,0,0|2,0,1]=4 61 B14R1.156 NCCCC(=O)C#Cc1ccccc1 Amb27758109 [1,0,0,0,0,0|1,0,2]=4 62 B14R1.156 NCCCC(=O)NCc1ccccc1 Amb5785143 [1,0,0,0,0,0|2,0,1]=4 63 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb33038335 [1,0,0,0,0,0|2,0,1]=4 64 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb4247412 [1,0,0,0,0,0|2,0,1]=4 65 B14R1.156 NCCCC(=O)OCc1ccccc1 Amb594688 [1,0,0,0,0,0|2,0,1]=4 66 B14R1.156 NCCOC(=O)NCc1ccccc1 Amb27870655 [1,0,0,0,0,0|2,0,1]=4 67 B14R1.156 O=C(CCCBr)OCc1ccccc1 Amb2413170 [1,0,0,0,0,0|2,0,1]=4 68 B14R1.156 O=C(CCCO)OCc1ccccc1 Amb27877363 [1,0,0,0,0,0|2,0,1]=4 69 B14R1.156 O=C(CCCS)OCc1ccccc1 Amb27171726 [1,0,0,0,0,0|2,0,1]=4 70 B14R1.156 O=C(COc1ccccc1)OCCBr Amb24065427 [1,0,0,0,0,0|2,0,1]=4 71 B14R1.156 O=C(NCc1ccccc1)OCCO Amb24335977 [1,0,0,0,0,0|2,0,1]=4 72 B14R1.156 O=C(\C=C\c1ccccc1)NCCO Amb5799194 [1,0,0,0,0,0|2,0,0]=3 73 B16R1.35 CCCCCC(=O)CC(=O)c1ccccc1 Amb8832784 [0,1,0,0,0,0|1,0,1]=3 74 B16R1.51 CCCCNC(=O)CNc1ccc(C)cc1 Amb17141367 [0,1,0,0,0,0|2,0,1]=4 75 B16R1.51 CCCCNC(=O)CNc1ccc(F)cc1 Amb17141917 [0,1,0,0,0,0|2,0,1]=4 76 B16R1.51 COCCNC(=O)\C=C\c1ccc(N)cc1 Amb23495190 [0,1,0,0,0,0|2,0,0]=3 77 B16R1.51 Cc1ccc(\C=C\C(=O)NCCCN)cc1 Amb18619963 [0,1,0,0,0,0|2,0,0]=3 78 B16R1.52 CCCCNC(=O)CNc1cccc(C)c1 Amb17141366 [0,1,0,0,0,0|2,0,1]=4 79 B16R1.52 CCCCNC(=O)CNc1cccc(Cl)c1 Amb17159022 [0,1,0,0,0,0|2,0,1]=4 80 B16R1.52 COCCNC(=O)\C=C\c1cccc(N)c1 Amb17141268 [0,1,0,0,0,0|2,0,0]=3 81 B16R1.608 CC(N)CCNC(=O)NCc1ccccc1 Amb27459245 [0,1,0,0,0,0|2,0,1]=4 82 B16R1.608 CC(N)CCNC(=O)OCc1ccccc1 Amb22754262 [0,1,0,0,0,0|2,0,1]=4 83 B16R1.608 CC(O)CCNC(=O)OCc1ccccc1 Amb25287766 [0,1,0,0,0,0|2,0,1]=4 84 B16R1.608 C[C@@H](N)CCNC(=O)OCc1ccccc1 Amb22831778 [0,1,0,0,0,0|2,0,1]=4 85 B16R1.608 O=C(O)CCNC(=O)\C=C\c1ccccc1 Amb1211750 [0,1,0,0,0,0|2,0,1]=4 86 B16R1.688 C#CCCCNC(=O)\C=C\c1ccccc1 Amb33743410 [0,1,0,0,0,0|1,0,1]=3 87 B16R1.688 CCCCCCC(=O)NCc1ccccc1 Amb5797919 [0,1,0,0,0,0|2,0,1]=4 88 B16R1.688 CCCCCCC(=O)OCc1ccccc1 Amb27613047 [0,1,0,0,0,0|2,0,1]=4 89 B16R1.688 CCSCCNC(=O)OCc1ccccc1 Amb27836996 [0,1,0,0,0,0|2,0,1]=4 90 B16R1.688 CNCCCNC(=O)NCc1ccccc1 Amb27444512 [0,1,0,0,0,0|2,0,1]=4 91 B16R1.688 CNCCCNC(=O)OCc1ccccc1 Amb20240988 [0,1,0,0,0,0|2,0,1]=4 92 B16R1.688 CNCCCNC(=O)OCc1ccccc1 Amb25039767 [0,1,0,0,0,0|2,0,1]=4 93 B16R1.688 CNCCOCC(=O)NCc1ccccc1 Amb28240553 [0,1,0,0,0,0|2,0,1]=4 94 B16R1.688 COCCCNC(=O)OCc1ccccc1 Amb27776446 [0,1,0,0,0,0|2,0,1]=4 95 B16R1.688 NCCCCCC(=O)NCc1ccccc1 Amb6256521 [0,1,0,0,0,0|2,0,1]=4 96 B16R1.688 NCCCCCC(=O)OCc1ccccc1 Amb20624433 [0,1,0,0,0,0|2,0,1]=4 97 B16R1.688 NCCCCCC(=O)OCc1ccccc1 Amb22058720 [0,1,0,0,0,0|2,0,1]=4 98 B16R1.688 NCCCCCC(=O)OCc1ccccc1 Amb4016915 [0,1,0,0,0,0|2,0,1]=4 99 B16R1.688 NCCCCNC(=O)OCc1ccccc1 Amb16232673 [0,1,0,0,0,0|2,0,1]=4 100 B16R1.688 NCCCCNC(=O)OCc1ccccc1 Amb3941450 [0,1,0,0,0,0|2,0,1]=4 101 B16R1.688 NCCCCNC(=O)\C=C\c1ccccc1 Amb18619997 [0,1,0,0,0,0|1,0,0]=2 102 B16R1.688 NCCCOCC(=O)NCc1ccccc1 Amb27667620 [0,1,0,0,0,0|2,0,1]=4 103 B16R1.688 O=C(CCCCCBr)OCc1ccccc1 Amb8471165 [0,1,0,0,0,0|2,0,1]=4 104 B16R1.688 O=C(NCCCCBr)OCc1ccccc1 Amb10608850 [0,1,0,0,0,0|2,0,1]=4 105 B16R1.688 O=C(NCCCCI)OCc1ccccc1 Amb26535040 [0,1,0,0,0,0|2,0,1]=4 106 B16R1.688 O=C(NCCCCO)OCc1ccccc1 Amb22348075 [0,1,0,0,0,0|2,0,1]=4 107 B16R1.1216 CCCCOC(=O)C(=O)Nc1ccccc1 Amb4171321 [0,1,0,0,0,0|1,0,0]=2 108 B16R1.1216 O=C(NCCCO)C(=O)Nc1ccccc1 Amb1000765 [0,1,0,0,0,0|3,0,0]=4 109 B16R1.1343 CCC(N)CCC(=O)NCc1ccccc1 Amb27645552 [0,1,0,0,0,0|2,0,1]=4 110 B16R1.1343 CCC(N)CNC(=O)NCc1ccccc1 Amb27231088 [0,1,0,0,0,0|2,0,1]=4 111 B16R1.1343 COC(=O)CNC(=O)\C=C\c1ccccc1 Amb1219873 [0,1,0,0,0,0|2,0,1]=4 112 B16R1.1343 NC(CO)COC(=O)NCc1ccccc1 Amb27453701 [0,1,0,0,0,0|2,0,1]=4 113 B16R1.1516 CCCCC(N)C(=O)OCc1ccccc1 Amb25742653 [0,1,0,0,0,0|2,0,1]=4 114 B16R1.1516 CCCC[C@@H](N)C(=O)OCc1ccccc1 Amb24181890 [0,1,0,0,0,0|2,0,1]=4 115 B16R1.1516 CCCC[C@H](N)C(=O)NCc1ccccc1 Amb27408197 [0,1,0,0,0,0|2,0,1]=4 116 B16R1.1516 CCCC[C@H](N)C(=O)OCc1ccccc1 Amb27875753 [0,1,0,0,0,0|2,0,1]=4 117 B16R1.1570 CCCC(N)CC(=O)NCc1ccccc1 Amb28192645 [0,1,0,0,0,0|2,0,1]=4 118 B16R1.1570 CCCC(N)CC(=O)OCc1ccccc1 Amb27791634 [0,1,0,0,0,0|2,0,1]=4 119 B16R1.1570 CCCC(N)NC(=O)OCc1ccccc1 Amb28065145 [0,1,0,0,0,0|2,0,1]=4 120 B16R1.1570 CCOC(=O)CC(=O)\C=C\c1ccccc1 Amb17529751 [0,1,0,0,0,0|2,0,1]=4 121 B16R1.1696 CCCCNC(=O)CNc1ccccc1Cl Amb17159021 [0,1,0,0,0,0|2,0,1]=4 122 B16R1.1696 CCCCNC(=O)CNc1ccccc1F Amb17141915 [0,1,0,0,0,0|2,0,1]=4 123 B16R1.20527 CCCCNS(=O)(=O)\C=C\c1ccccc1 Amb17903 [0,1,0,0,0,0|2,0,0]=3 124 B16R2.69 O=C1CCCCCC1Cc2ccccc2 Amb27471390 [0,0,0,1,0,0|1,0,2]=4 125 B16R2.69 O=C1CCCCCN1Cc2ccccc2 Amb2416116 [0,0,0,1,0,0|2,0,1]=4 126 B16R2.2238 O=C(CCc1ccccc1)C2CCCC2 Amb6303745 [0,0,0,1,0,0|1,0,2]=4 127 B16R2.2238 O=C(CNc1ccccc1)N2CCCC2 Amb6707006 [0,0,0,1,0,0|2,0,1]=4 128 B16R2.2238 O=C(CSc1ccccc1)C2CCCC2 Amb32683034 [0,0,0,1,0,0|2,0,1]=4 129 B16R2.2238 O=C(NCc1ccccc1)C2CCCC2 Amb2660800 [0,0,0,1,0,0|2,0,1]=4 130 B16R2.2238 O=C(NCc1ccccc1)N2CCCC2 Amb5490812 [0,0,0,1,0,0|2,0,1]=4 131 B16R2.2238 O=C(OCc1ccccc1)C2CCCC2 Amb24393419 [0,0,0,1,0,0|2,0,1]=4 132 B16R2.2238 O=C(OCc1ccccc1)N2CCCC2 Amb19516196 [0,0,0,1,0,0|2,0,1]=4 133 B16R2.2441 BrCCCOc1ccc2ccccc2c1 Amb2231590 [0,0,0,1,0,0|2,0,0]=3 134 B16R2.2441 BrCCCOc1ccc2ncccc2c1 Amb17272079 [0,0,0,1,0,0|3,0,0]=4 135 B16R2.2441 CCCCOc1ccc2ccccc2c1 Amb3836169 [0,0,0,1,0,0|1,0,0]=2 136 B16R2.2441 CCCCOc1ccc2ncccc2c1 Amb19108435 [0,0,0,1,0,0|2,0,0]=3 137 B16R2.2441 CCCNCc1ccc2ccccc2c1 Amb6665841 [0,0,0,1,0,0|3,0,0]=4 138 B16R2.2441 CNCCOc1ccc2ccccc2c1 Amb7761798 [0,0,0,1,0,0|2,0,0]=3 139 B16R2.2441 CNCCOc1ccc2ncccc2c1 Amb22642611 [0,0,0,1,0,0|3,0,0]=4 140 B16R2.2441 CNCCOc1ccc2ncccc2c1 Amb32662269 [0,0,0,1,0,0|3,0,0]=4 141 B16R2.2441 ClCCCOc1ccc2ccccc2c1 Amb6662694 [0,0,0,1,0,0|2,0,0]=3 142 B16R2.2441 ClCCCOc1ccc2ncccc2c1 Amb17245288 [0,0,0,1,0,0|3,0,0]=4 143 B16R2.2441 NCCCCc1ccc2ccccc2c1 Amb18049792 [0,0,0,1,0,0|3,0,0]=4 144 B16R2.2441 NCCCCc1ccc2ccccc2n1 Amb33380484 [0,0,0,1,0,0|3,0,0]=4 145 B16R2.2441 NCCCOc1ccc2ccccc2c1 Amb1135799 [0,0,0,1,0,0|2,0,0]=3 146 B16R2.2441 NCCCOc1ccc2ccccc2n1 Amb18308517 [0,0,0,1,0,0|2,0,0]=3 147 B16R2.2441 NCCCOc1ccc2cccnc2c1 Amb18355161 [0,0,0,1,0,0|3,0,0]=4 148 B16R2.2441 NCCCOc1ccc2ccncc2c1 Amb19107941 [0,0,0,1,0,0|3,0,0]=4 149 B16R2.2441 NCCCOc1ccc2ncccc2c1 Amb18355162 [0,0,0,1,0,0|3,0,0]=4 150 B16R2.2441 NCCCOc1ccc2ncccc2c1 Amb32662402 [0,0,0,1,0,0|3,0,0]=4 151 B16R2.2441 NCCCOc1cnc2ccccc2c1 Amb33171990 [0,0,0,1,0,0|3,0,0]=4 152 B16R2.2441 NCCCOc1cnc2ccccc2n1 Amb18309344 [0,0,0,1,0,0|3,0,0]=4 153 B16R2.2441 NNCCOc1ccc2ccccc2c1 Amb17402559 [0,0,0,1,0,0|3,0,0]=4 154 B16R2.2441 NOCCOc1ccc2ccccc2c1 Amb17088333 [0,0,0,1,0,0|3,0,0]=4 155 B16R2.2441 O=CCCOc1ccc2ccccc2c1 Amb5731790 [0,0,0,1,0,0|2,0,1]=4 156 B16R2.2441 OCCCCc1ccc2ccccc2c1 Amb33716158 [0,0,0,1,0,0|3,0,0]=4 157 B16R2.2441 OCCCOc1ccc2ccccc2c1 Amb9370699 [0,0,0,1,0,0|2,0,0]=3 158 B16R2.2441 OCCCOc1ccc2ncccc2c1 Amb17105039 [0,0,0,1,0,0|3,0,0]=4 159 B16R2.2441 ONCCOc1ccc2ccccc2c1 Amb17088459 [0,0,0,1,0,0|3,0,0]=4 160 B16R2.2441 SCCCOc1ccc2ccccc2c1 Amb17243345 [0,0,0,1,0,0|2,0,0]=3 161 B16R2.2441 SCCCOc1ccc2ncccc2c1 Amb17243779 [0,0,0,1,0,0|3,0,0]=4 162 B16R2.2443 CCC1CCC(=O)CC1c2ccccc2 Amb32864092 [0,0,0,1,0,0|1,0,2]=4 163 B16R2.2446 O=C1OC[C@H](CO)N1Cc2ccccc2 Amb24523369 [0,0,0,1,0,0|2,0,1]=4 164 B16R2.2446 O=C1ON=C(CCl)\C1=C/c2ccccc2 Amb9901468 [0,0,0,1,0,0|2,0,1]=4 165 B16R2.3193 CC1CC1NC(=O)NCc2ccccc2 Amb27652318 [0,0,0,1,0,0|2,0,1]=4 166 B16R2.3281 O=C1CCCCCC(c2ccccc2)N1 Amb32862494 [0,0,0,1,0,0|2,0,1]=4 167 B16R2.5334 C(=C\C1CCCCCN1)/c2ccccc2 Amb20667768 [0,0,0,1,0,0|2,0,1]=4 168 B16R2.14961 NC1(\C=C\c2ccccc2)CCCCC1 Amb33081131 [0,0,0,1,0,0|2,0,1]=4 169 B16R2.30013 CCCCN1C(=O)CNc2ccccc21 Amb17238160 [0,0,0,1,0,0|2,0,1]=4 170 B16R2.30013 CCNCc1c(C)ccc2ccccc12 Amb18940581 [0,0,0,1,0,0|3,0,0]=4 171 B16R2.30013 CCNCc1c(O)ccc2ccccc12 Amb6281029 [0,0,0,1,0,0|2,0,1]=4 172 B16R2.30013 CNCCc1c(O)ccc2ccccc12 Amb18940610 [0,0,0,1,0,0|2,0,1]=4 173 B16R2.30013 NCCCN1C(=O)C=Cc2ccccc21 Amb18563359 [0,0,0,1,0,0|2,0,0]=3 174 B16R2.30013 NCCCN1C(=O)C=Nc2ccccc21 Amb18038055 [0,0,0,1,0,0|3,0,0]=4 175 B16R2.30013 NCCCc1c(O)ccc2ccccc12 Amb17477148 [0,0,0,1,0,0|2,0,1]=4 176 B16R2.30013 O=C1C=Cc2ccccc2N1CCCBr Amb24587078 [0,0,0,1,0,0|2,0,0]=3 177 B16R2.30013 O=C1C=Cc2ccccc2N1CCCCl Amb27950184 [0,0,0,1,0,0|2,0,0]=3 178 B16R2.30013 O=CCCN1C(=O)C=Cc2ccccc21 Amb27668498 [0,0,0,1,0,0|2,0,1]=4 179 B16R2.30013 OCCCc1c(O)ccc2ccccc12 Amb17477167 [0,0,0,1,0,0|2,0,1]=4 180 B16R2.30013 Oc1ccc2ccccc2c1CCCBr Amb33336297 [0,0,0,1,0,0|2,0,1]=4 181 B16R2.30013 Oc1ccc2ccccc2c1CCCS Amb33419594 [0,0,0,1,0,0|2,0,1]=4 182 B16R2.44148 O=C(C#Cc1ccccc1)CC2CCC2 Amb27645849 [0,0,0,1,0,0|1,0,2]=4 183 B16R2.44153 O=C(C#Cc1ccccc1)CCC2CC2 Amb27875269 [0,0,0,1,0,0|1,0,2]=4 184 B16R2.44153 O=C(CCC1CC1)NCc2ccccc2 Amb27767133 [0,0,0,1,0,0|2,0,1]=4 185 B16R2.44153 O=C(NCc1ccccc1)OC[C@H]2CO2 Amb27879548 [0,0,0,1,0,0|2,0,1]=4 186 B16R2.44153 O=C(OCc1ccccc1)OCC2CO2 Amb27663559 [0,0,0,1,0,0|2,0,1]=4 187 B14R1.158 CCCCNC(=O)Nc1ccccc1 Amb6565930 [0,0,0,0,1,0|2,0,0]=3 188 B14R1.158 CCCCNC(=O)Nc1ccccn1 Amb575148 [0,0,0,0,1,0|3,0,0]=4 189 B14R1.158 CCCCNC(=S)Nc1ccccc1 Amb1804766 [0,0,0,0,1,0|2,1,0]=4 190 B14R1.158 CCCCOC(=O)Cc1ccccc1 Amb9787240 [0,0,0,0,1,0|0,0,1]=2 191 B14R1.158 CCCCOC(=O)Cc1ccccn1 Amb32664954 [0,0,0,0,1,0|1,0,1]=3 192 B14R1.158 CCCNC\C(C)=C\c1ccccc1 Amb19890261 [0,0,0,0,1,0|3,0,0]=4 193 B14R1.158 CCCNC\C(C)=C\c1ccccc1 Amb20673527 [0,0,0,0,1,0|3,0,0]=4 194 B14R1.158 CCCONC(=O)Nc1ccccc1 Amb2818934 [0,0,0,0,1,0|3,0,0]=4 195 B14R1.158 CCCSCC(=O)Cc1ccccc1 Amb9668687 [0,0,0,0,1,0|2,0,1]=4 196 B14R1.158 CCOCNC(=O)Nc1ccccc1 Amb4433479 [0,0,0,0,1,0|3,0,0]=4 197 B14R1.158 CCSCNC(=O)Nc1ccccc1 Amb27957766 [0,0,0,0,1,0|3,0,0]=4 198 B14R1.158 CNCCCC(=O)Nc1ccccc1 Amb28600467 [0,0,0,0,1,0|3,0,0]=4 199 B14R1.158 COCCOC(=O)Nc1ccncc1 Amb24084581 [0,0,0,0,1,0|3,0,0]=4 200 B14R1.158 CSCCNC(=O)Nc1ccccc1 Amb25678581 [0,0,0,0,1,0|3,0,0]=4 201 B14R1.158 C\C=C\COC(=O)Nc1ccccc1 Amb4016686 [0,0,0,0,1,0|1,0,2]=4 202 B14R1.158 N#CCCOC(=O)Nc1ccccc1 Amb4018340 [0,0,0,0,1,0|2,0,1]=4 203 B14R1.158 NCCCNC(=O)Cc1ccccc1 Amb6280127 [0,0,0,0,1,0|2,0,1]=4 204 B14R1.158 NCCCNC(=O)Nc1ccccc1 Amb10808642 [0,0,0,0,1,0|3,0,0]=4 205 B14R1.158 NCCCNC(=O)Nc1ccccc1 Amb18330404 [0,0,0,0,1,0|3,0,0]=4 206 B14R1.158 O=C(CCCCBr)Nc1ccccc1 Amb17264932 [0,0,0,0,1,0|3,0,0]=4 207 B16R1.1694 CCCCCC(=O)CNCc1ccccc1 Amb33131589 [0,0,0,0,0,1|1,0,2]=4 208 B16R1.1694 CCCCCC(=O)COCc1ccccc1 Amb28434416 [0,0,0,0,0,1|1,0,2]=4 209 B16R1.1694 CCCCNC(=O)NOCc1ccccc1 Amb27409820 [0,0,0,0,0,1|2,0,1]=4 210 B13R1.28 BrCCOC\C=C\c1ccccc1 Amb24113552 [2,0,0,0,0,0|1,0,1]=4 211 B13R1.28 CCCCC\C=C\c1cccnc1 Amb2613049 [2,0,0,0,0,0|1,0,1]=4 212 B13R1.28 CCCCOCCc1ccccc1 Amb24065444 [2,0,0,0,0,0|0,0,2]=4 213 B13R1.28 CCCNC\C=C\c1ccccc1 Amb20673523 [2,0,0,0,0,0|1,0,1]=4 214 B13R1.28 CCCNC\C=C\c1ccccc1 Amb838094 [2,0,0,0,0,0|1,0,1]=4 215 B13R1.28 CCNCC\C=C/c1ccccc1 Amb17142949 [2,0,0,0,0,0|1,0,1]=4 216 B13R1.42 C=C(\C=C\c1ccccc1)CCN Amb33081079 [2,0,0,0,0,0|2,0,0]=4 217 B13R1.42 CCCC(=O)C#Cc1ccccc1 Amb17594320 [2,0,0,0,0,0|0,0,2]=4 218 B13R1.42 CCCC(=O)CCc1ccccc1 Amb9031589 [2,0,0,0,0,0|0,0,2]=4 219 B13R1.42 CCCC(=O)CSc1ccccc1 Amb18330492 [2,0,0,0,0,0|1,0,1]=4 220 B13R1.42 CCCC(=O)NCc1ccccc1 Amb2701481 [2,0,0,0,0,0|1,0,1]=4 221 B13R1.42 CCCC(=O)NNc1ccccc1 Amb4081014 [2,0,0,0,0,0|2,0,0]=4 222 B13R1.42 CCCC(=O)OCc1ccccc1 Amb6357333 [2,0,0,0,0,0|1,0,1]=4 223 B13R1.42 CCNC(=O)\C=C\c1ccccc1 Amb3358403 [2,0,0,0,0,0|1,0,0]=3 224 B13R1.42 CCOC(=O)C#Cc1ccccc1 Amb2721509 [2,0,0,0,0,0|0,0,2]=4 225 B13R1.42 CCOC(=O)CCc1ccccc1 Amb3940133 [2,0,0,0,0,0|0,0,2]=4 226 B13R1.42 CCOC(=O)CNc1ccccc1 Amb1025527 [2,0,0,0,0,0|1,0,1]=4 227 B13R1.42 CCOC(=O)CNc1ccccc1 Amb21961619 [2,0,0,0,0,0|1,0,1]=4 228 B13R1.42 CCOC(=O)COc1ccccc1 Amb2687923 [2,0,0,0,0,0|1,0,1]=4 229 B13R1.42 CCOC(=O)CSc1ccccc1 Amb2408276 [2,0,0,0,0,0|1,0,1]=4 230 B13R1.42 CCOC(=O)NCc1ccccc1 Amb2736961 [2,0,0,0,0,0|1,0,1]=4 231 B13R1.42 CCOC(=O)OCc1ccccc1 Amb27166327 [2,0,0,0,0,0|1,0,1]=4 232 B13R1.42 CCOC(=O)\C=C\c1ccccc1 Amb6296621 [2,0,0,0,0,0|0,0,0]=2 233 B13R1.42 CCOC(=O)\C=C\c1ccccn1 Amb33996583 [2,0,0,0,0,0|1,0,0]=3 234 B13R1.42 CCOC(=O)\C=C\c1cccnc1 Amb15695192 [2,0,0,0,0,0|1,0,0]=3 235 B13R1.42 CCOC(=O)\C=C\c1ccncc1 Amb33870677 [2,0,0,0,0,0|1,0,0]=3 236 B13R1.42 CCOC(=O)\C=N\c1ccccc1 Amb2609189 [2,0,0,0,0,0|1,0,0]=3 237 B13R1.42 CNCC(=O)\C=C\c1ccccc1 Amb33081764 [2,0,0,0,0,0|1,0,0]=3 238 B13R1.42 CONC(=O)\C=C\c1ccccc1 Amb28064704 [2,0,0,0,0,0|2,0,0]=4 239 B13R1.42 C\C=C\C(=O)\C=C\c1ccccc1 Amb28074660 [2,0,0,0,0,0|0,0,2]=4 240 B13R1.42 N#CCC(=O)\C=C\c1ccccc1 Amb27759542 [2,0,0,0,0,0|1,0,1]=4 241 B13R1.42 NCCC(=O)\C=C\c1ccccc1 Amb33081763 [2,0,0,0,0,0|1,0,0]=3 242 B15R1.35 CCCCCNC\C=C\c1ccccc1 Amb838064 [1,1,0,0,0,0|1,0,1]=4 243 B15R1.35 CNCCCNC\C=C\c1ccccc1 Amb22531675 [1,1,0,0,0,0|1,0,1]=4 244 B15R1.35 OCCCCNC\C=C\c1ccccc1 Amb838114 [1,1,0,0,0,0|1,0,1]=4 245 B15R1.83 CCCCNC\C(C)=C\c1ccccc1 Amb20673564 [1,1,0,0,0,0|1,0,1]=4 246 B15R1.83 CCCCNC\C(C)=C\c1ccccc1 Amb20673566 [1,1,0,0,0,0|1,0,1]=4 247 B15R1.83 CCCCOCC(=O)Nc1ccccc1 Amb22229721 [1,1,0,0,0,0|1,0,1]=4 248 B15R1.778 CCCC(=O)OC\C=C\c1ccccc1 Amb6297856 [1,1,0,0,0,0|0,0,2]=4 249 B15R1.115 COCCC(=O)CC(=O)c1ccccc1 Amb8832993 [1,1,0,0,0,0|1,0,1]=4 250 B15R1.115 O=C(CCCO)CC(=O)c1ccccc1 Amb3593281 [1,1,0,0,0,0|1,0,1]=4 251 B15R1.127 CCCNC(=O)\C=C\c1cccc(N)c1 Amb17139962 [1,1,0,0,0,0|1,0,0]=3 252 B15R1.139 Cc1ccc(\C=C\C(=O)NCCN)cc1 Amb18619939 [1,1,0,0,0,0|2,0,0]=4 253 B15R1.551 CCCOC(=O)N(C)Cc1ccccc1 Amb3101963 [1,1,0,0,0,0|1,0,1]=4 254 B15R1.741 CCC(C)CC(=O)C#Cc1ccccc1 Amb27591778 [1,1,0,0,0,0|0,0,2]=4 255 B15R1.741 CCC(C)OC(=O)NCc1ccccc1 Amb28058365 [1,1,0,0,0,0|1,0,1]=4 256 B15R1.741 CCC(N)CC(=O)C#Cc1ccccc1 Amb28313362 [1,1,0,0,0,0|0,0,2]=4 257 B15R1.741 CCC(N)CC(=O)OCc1ccccc1 Amb27666847 [1,1,0,0,0,0|1,0,1]=4 258 B15R1.741 CCC(O)CC(=O)NCc1ccccc1 Amb27464441 [1,1,0,0,0,0|1,0,1]=4 259 B15R1.741 CCC(O)CC(=O)OCc1ccccc1 Amb32992107 [1,1,0,0,0,0|1,0,1]=4 260 B15R1.741 CC[C@@H](O)CC(=O)OCc1ccccc1 Amb32796104 [1,1,0,0,0,0|1,0,1]=4 261 B15R1.741 CC[C@H](C)OC(=O)NCc1ccccc1 Amb27784877 [1,1,0,0,0,0|1,0,1]=4 262 B15R1.741 COC(=O)CC(=O)\C=C\c1ccccc1 Amb34913397 [1,1,0,0,0,0|1,0,1]=4 263 B15R1.826 CCCC(C)C(=O)C#Cc1ccccc1 Amb27833681 [1,1,0,0,0,0|0,0,2]=4 264 B15R1.826 CCCC(N)C(=O)NCc1ccccc1 Amb9514830 [1,1,0,0,0,0|1,0,1]=4 265 B15R1.826 CCCC(N)C(=O)OCc1ccccc1 Amb23511177 [1,1,0,0,0,0|1,0,1]=4 266 B15R1.826 CCCC(O)C(=O)OCc1ccccc1 Amb27653326 [1,1,0,0,0,0|1,0,1]=4 267 B15R1.826 CCC[C@@H](N)C(=O)C#Cc1ccccc1 Amb35660063 [1,1,0,0,0,0|0,0,2]=4 268 B15R1.826 CCC[C@H](N)C(=O)C#Cc1ccccc1 Amb29891311 [1,1,0,0,0,0|0,0,2]=4 269 B15R1.826 CCC[C@H](N)C(=O)OCc1ccccc1 Amb27751337 [1,1,0,0,0,0|1,0,1]=4 270 B15R1.5919 CC(C)COC(=O)\C=C\c1ccccc1 Amb4130358 [1,1,0,0,0,0|0,0,0]=2 271 B15R1.5919 CC(S)CCC(=O)OCc1ccccc1 Amb27974968 [1,1,0,0,0,0|1,0,1]=4 272 B15R1.5934 CCCNS(=O)(=O)\C=C\c1ccccc1 Amb18861 [1,1,0,0,0,0|2,0,0]=4 273 B15R1.579 NCCCCNC(=O)\C=C\c1ccco1 Amb18102558 [0,1,0,0,1,0|2,0,0]=4 274 B15R1.93 CCCCNC(=O)C(Cl)c1ccccc1 Amb8824964 [0,1,0,0,1,0|1,0,1]=4 275 B15R1.128 CCCCCC(=O)Nc1ccc(N)cc1 Amb843237 [0,1,0,0,1,0|2,0,0]=4 276 B15R1.128 CCCCNC(=O)Cc1ccc(N)cc1 Amb6247768 [0,1,0,0,1,0|1,0,1]=4 277 B15R1.128 CCCCNC(=O)Nc1ccc(I)cc1 Amb11224135 [0,1,0,0,1,0|2,0,0]=4 278 B15R1.128 CCCCOC(=O)Cc1ccc(N)cc1 Amb8426803 [0,1,0,0,1,0|0,0,1]=3 279 B15R1.128 COCCOC(=O)Cc1ccc(N)cc1 Amb8426807 [0,1,0,0,1,0|1,0,1]=4 280 B15R1.129 CCCCCC(=O)Nc1cccc(N)c1 Amb843231 [0,1,0,0,1,0|2,0,0]=4 281 B15R1.129 CCCCCC(=O)Oc1cccc(C)c1 Amb9787396 [0,1,0,0,1,0|2,0,0]=4 282 B15R1.129 CCCCNC(=O)Cc1cccc(N)c1 Amb8426832 [0,1,0,0,1,0|1,0,1]=4 283 B15R1.129 CCCCOC(=O)Cc1cccc(N)c1 Amb8426817 [0,1,0,0,1,0|0,0,1]=3 284 B15R1.129 COCCOC(=O)Cc1cccc(N)c1 Amb8426822 [0,1,0,0,1,0|1,0,1]=4 285 B15R1.129 COCCOC(=O)Nc1cccc(Cl)c1 Amb4018308 [0,1,0,0,1,0|2,0,0]=4 286 B15R1.129 COCCOC(=O)Nc1cccc(N)c1 Amb8941767 [0,1,0,0,1,0|2,0,0]=4 287 B15R1.1035 CCCCC\C(=C\c1ccccc1)CO Amb22002472 [0,1,0,0,1,0|1,0,1]=4 288 B15R1.1035 CCCCC\C(C=O)=C\c1ccccc1 Amb8493476 [0,1,0,0,1,0|1,0,0]=3 289 B15R1.1409 CCCCNC(=O)Nc1ccccc1Br Amb6747946 [0,1,0,0,1,0|2,0,0]=4 290 B17R1.4 CCCCOC(=O)CSCc1ccc(N)cc1 Amb17497441 [0,1,0,0,0,1|0,0,2]=4 291 B17R1.741 COCCCNC(=O)\C=C\c1ccc(N)cc1 Amb23495181 [0,2,0,0,0,0|1,0,0]=3 292 B17R1.741 Cc1ccc(\C=C\C(=O)NCCCCN)cc1 Amb18619998 [0,2,0,0,0,0|1,0,0]=3 293 B17R1.741 NCCCCNC(=O)\C=C\c1ccc(Cl)cc1 Amb18619992 [0,2,0,0,0,0|1,0,0]=3 294 B17R1.741 NCCCCNC(=O)\C=C\c1ccc(F)cc1 Amb18619991 [0,2,0,0,0,0|1,0,0]=3 295 B17R1.1257 CCCCOC(=O)C(C)Oc1ccc(O)cc1 Amb19375037 [0,2,0,0,0,0|1,0,1]=4 296 B17R1.1869 CCCCOC(=O)COc1ccc(Cl)cc1Cl Amb3319296 [0,2,0,0,0,0|1,0,1]=4 297 B17R1.1869 NCCCNC(=O)\C=C\c1ccc(Cl)cc1Cl Amb18619959 [0,2,0,0,0,0|2,0,0]=4 298 B17R1.1871 CCCCOC(=O)COc1ccc(C=O)cc1 Amb20527840 [0,2,0,0,0,0|1,0,1]=4 299 B17R1.1871 CCCCOC(=O)COc1ccc(CO)cc1 Amb20527841 [0,2,0,0,0,0|1,0,1]=4 300 B17R1.3349 CCCCOC(=O)\C=C\c1ccc(O)c(O)c1 Amb22234969 [0,2,0,0,0,0|0,0,0]=2 301 B17R1.3349 COCCNC(=O)\C=C\c1ccc(Br)c(N)c1 Amb23495187 [0,2,0,0,0,0|2,0,0]=4 302 B17R1.3349 COCCNC(=O)\C=C\c1ccc(Cl)c(N)c1 Amb17162000 [0,2,0,0,0,0|2,0,0]=4 303 B17R1.742 COCCCNC(=O)\C=C\c1cccc(N)c1 Amb17157737 [0,2,0,0,0,0|1,0,0]=3 304 B17R1.3343 CCCCOC(=O)COc1cccc(C=O)c1 Amb20527843 [0,2,0,0,0,0|1,0,1]=4 305 B17R1.3343 CCCCOC(=O)COc1cccc(CO)c1 Amb20527842 [0,2,0,0,0,0|1,0,1]=4 306 B17R1.3343 COc1cccc(\C=C\C(=O)NCCCN)c1 Amb18619965 [0,2,0,0,0,0|2,0,0]=4 307 B17R1.1287 CCCOCCOC(=O)NCc1ccccc1 Amb27867069 [0,2,0,0,0,0|1,0,1]=4 308 B17R1.1287 CCNCCOCC(=O)NCc1ccccc1 Amb27843546 [0,2,0,0,0,0|1,0,1]=4 309 B17R1.1287 NCCCCCNC(=O)\C=C\c1ccccc1 Amb18620047 [0,2,0,0,0,0|1,0,0]=3 310 B15R1.1402 CCCCOC(=O)c1ccccc1NN Amb24103363 [0,0,1,1,0,0|2,0,0]=4 311 B15R1.1397 CCCCOC(=O)c1cccc(NC)c1 Amb17307153 [0,0,1,1,0,0|1,0,1]=4 312 B15R1.1380 CCCCOC(=O)c1cc(N)ccc1Cl Amb17307880 [0,0,1,1,0,0|2,0,0]=4 313 B15R1.1380 CCCCOC(=O)c1cc(O)ccc1F Amb32668136 [0,0,1,1,0,0|2,0,0]=4 314 B15R1.1380 CCCCOC(=O)c1cc(O)ccc1N Amb24103362 [0,0,1,1,0,0|2,0,0]=4 315 B15R2.5 CCCCCn1ccc2ccccc21 Amb10559920 [1,0,0,1,0,0|2,0,0]=4 316 B15R2.5 NCCCOc1csc2ccccc12 Amb33196932 [1,0,0,1,0,0|2,0,0]=4 317 B15R2.38 CC1CCCC=C1Nc2ccccc2 Amb27455012 [1,0,0,1,0,0|2,0,0]=4 318 B15R2.72 CCCn1nccc1-c2ccccc2 Amb19046097 [1,0,0,1,0,0|2,0,0]=4 319 B15R2.72 CNCc1occc1-c2ccccc2 Amb28205593 [1,0,0,1,0,0|1,0,1]=4 320 B15R2.2167 C(=C1CCCCCC1)c2ccccc2 Amb10606580 [1,0,0,1,0,0|1,0,1]=4 321 B15R2.2195 C(=C\C1CCCCN1)/c2ccccc2 Amb24437276 [1,0,0,1,0,0|1,0,1]=4 322 B15R2.2195 C(=C\C1CNCCO1)/c2ccccc2 Amb33083004 [1,0,0,1,0,0|1,0,1]=4 323 B15R2.2195 C(=C\C1NCCCO1)/c2ccccc2 Amb26445113 [1,0,0,1,0,0|1,0,1]=4 324 B15R2.2195 C(=C\[C@@H]1CCCCN1)/c2ccccc2 Amb27265801 [1,0,0,1,0,0|1,0,1]=4 325 B15R2.2195 C1=C(\C=C\c2ccccc2)CCNC1 Amb27747179 [1,0,0,1,0,0|2,0,0]=4 326 B15R2.18471 BrCCCc1cccc2ccccc12 Amb33531073 [1,0,0,1,0,0|2,0,0]=4 327 B15R2.18471 CCCCC1NC=Cc2ccccc21 Amb28132828 [1,0,0,1,0,0|2,0,0]=4 328 B15R2.18471 CCCCc1cccc2ccccc12 Amb10556080 [1,0,0,1,0,0|1,0,0]=3 329 B15R2.18471 CCCCc1nccc2ccccc12 Amb10562265 [1,0,0,1,0,0|2,0,0]=4 330 B15R2.18471 CCCNc1cccc2ccccc12 Amb2689846 [1,0,0,1,0,0|2,0,0]=4 331 B15R2.18471 CCNCc1cccc2ccccc12 Amb1922692 [1,0,0,1,0,0|2,0,0]=4 332 B15R2.18471 CCNCc1cccc2ccccc12 Amb6864712 [1,0,0,1,0,0|2,0,0]=4 333 B15R2.18471 CNCCc1cccc2ccccc12 Amb9214720 [1,0,0,1,0,0|2,0,0]=4 334 B15R2.18471 NCCCc1cccc2ccccc12 Amb9304924 [1,0,0,1,0,0|2,0,0]=4 335 B15R2.18471 OCCCc1cccc2ccccc12 Amb17477168 [1,0,0,1,0,0|2,0,0]=4 336 B15R2.18471 SCCCc1cccc2ccccc12 Amb23449914 [1,0,0,1,0,0|2,0,0]=4 337 B15R2.27836 C(=C\c1ccccc1)/COC2CNC2 Amb32941292 [1,0,0,1,0,0|1,0,1]=4 338 B15R2.55017 CCOC1C=CC=Cc2ccccc21 Amb8391976 [1,0,0,1,0,0|2,0,0]=4 339 B15R2.33 CC1CCC(=O)C=C1c2ccccc2 Amb2226908 [1,0,0,1,0,0|0,0,0]=2 340 B15R2.33 CC1CCC(=O)CC1c2ccccc2 Amb32865311 [1,0,0,1,0,0|0,0,2]=4 341 B15R2.33 CC1CCC(O)C=C1c2ccccc2 Amb27764967 [1,0,0,1,0,0|0,0,2]=4 342 B15R2.33 C[C@@H]1COC(=O)N[C@@H]1c2ccccc2 Amb28246373 [1,0,0,1,0,0|1,0,1]=4 343 B15R2.33 NC1CCC(=O)C=C1c2ccccc2 Amb27842433 [1,0,0,1,0,0|1,0,0]=3 344 B15R2.352 BrCCCc1ccc2ccccc2c1 Amb26339538 [1,0,0,1,0,0|2,0,0]=4 345 B15R2.352 BrCCCc1ccc2ccccc2n1 Amb33038200 [1,0,0,1,0,0|2,0,0]=4 346 B15R2.352 BrCCOc1ccc2ccccc2c1 Amb2610625 [1,0,0,1,0,0|2,0,0]=4 347 B15R2.352 CCCCc1ccc2ccccc2c1 Amb9787702 [1,0,0,1,0,0|1,0,0]=3 348 B15R2.352 CCCCc1ccc2ccccc2n1 Amb4012109 [1,0,0,1,0,0|1,0,0]=3 349 B15R2.352 CCCCc1cnc2ccccc2c1 Amb27830570 [1,0,0,1,0,0|2,0,0]=4 350 B15R2.352 CCCOc1ccc2ccccc2c1 Amb4011084 [1,0,0,1,0,0|1,0,0]=3 351 B15R2.352 CCCOc1ccc2ccccc2n1 Amb20171237 [1,0,0,1,0,0|1,0,0]=3 352 B15R2.352 CCNCc1ccc2ccccc2c1 Amb6266033 [1,0,0,1,0,0|2,0,0]=4 353 B15R2.352 CCNCc1ccc2ccccc2n1 Amb19373560 [1,0,0,1,0,0|2,0,0]=4 354 B15R2.352 CCNCc1ccc2ccccc2n1 Amb6742542 [1,0,0,1,0,0|2,0,0]=4 355 B15R2.352 CNCCc1ccc2ccccc2c1 Amb8853663 [1,0,0,1,0,0|2,0,0]=4 356 B15R2.352 CNCCc1ccc2ccccc2n1 Amb18299521 [1,0,0,1,0,0|2,0,0]=4 357 B15R2.352 CNCCc1ccc2ccccc2n1 Amb32671506 [1,0,0,1,0,0|2,0,0]=4 358 B15R2.352 COCOc1ccc2ccccc2n1 Amb28066084 [1,0,0,1,0,0|2,0,0]=4 359 B15R2.352 ClCCCc1ccc2ccccc2c1 Amb27181357 [1,0,0,1,0,0|2,0,0]=4 360 B15R2.352 ClCCCc1ccc2ccccc2n1 Amb28293470 [1,0,0,1,0,0|2,0,0]=4 361 B15R2.352 ClCCOc1ccc2ccccc2c1 Amb8828442 [1,0,0,1,0,0|2,0,0]=4 362 B15R2.352 FCCOc1ccc2ccccc2c1 Amb24562684 [1,0,0,1,0,0|2,0,0]=4 363 B15R2.352 ICCOc1ccc2ccccc2c1 Amb28454505 [1,0,0,1,0,0|2,0,0]=4 364 B15R2.352 NCCCc1ccc2ccccc2c1 Amb18981387 [1,0,0,1,0,0|2,0,0]=4 365 B15R2.352 NCCCc1ccc2ccccc2n1 Amb17578461 [1,0,0,1,0,0|2,0,0]=4 366 B15R2.352 NCCOc1ccc2ccccc2c1 Amb1069042 [1,0,0,1,0,0|2,0,0]=4 367 B15R2.352 NCCOc1ccc2ccccc2c1 Amb6859385 [1,0,0,1,0,0|2,0,0]=4 368 B15R2.352 NCCOc1ccc2ccccc2n1 Amb18296487 [1,0,0,1,0,0|2,0,0]=4 369 B15R2.352 OCCCc1ccc2ccccc2c1 Amb24401038 [1,0,0,1,0,0|2,0,0]=4 370 B15R2.352 OCCCc1ccc2ccccc2n1 Amb20669490 [1,0,0,1,0,0|2,0,0]=4 371 B15R2.352 OCCOc1ccc2ccccc2c1 Amb4034898 [1,0,0,1,0,0|2,0,0]=4 372 B15R2.352 OCCOc1ccc2ccccc2n1 Amb27981845 [1,0,0,1,0,0|2,0,0]=4 373 B15R2.352 SCCCc1ccc2ccccc2c1 Amb31132725 [1,0,0,1,0,0|2,0,0]=4 374 B15R2.352 SCCCc1ccc2ccccc2n1 Amb33201029 [1,0,0,1,0,0|2,0,0]=4 375 B15R2.352 SCCOc1ccc2ccccc2c1 Amb17238164 [1,0,0,1,0,0|2,0,0]=4 376 B15R2.355 CC1=C(Cc2ccccc2)C(=O)CC1 Amb26329510 [1,0,0,1,0,0|0,0,2]=4 377 B15R2.355 CC1=NOC(=O)\C1=C/c2ccccc2 Amb2228119 [1,0,0,1,0,0|1,0,1]=4 378 B15R2.355 CC1CCC(=O)N1Cc2ccccc2 Amb20667833 [1,0,0,1,0,0|1,0,1]=4 379 B15R2.505 CC1CC1C(=O)NCc2ccccc2 Amb8338086 [1,0,0,1,0,0|1,0,1]=4 380 B15R2.505 C[C@@H]1C[C@H]1C(=O)NCc2ccccc2 Amb27767896 [1,0,0,1,0,0|1,0,1]=4 381 B15R2.543 O=C1C=C(c2ccccc2)CCCC1 Amb27853297 [1,0,0,1,0,0|0,0,0]=2 382 B15R2.543 O=C1C=C(c2ccccc2)NCCC1 Amb27463117 [1,0,0,1,0,0|1,0,0]=3 383 B15R2.543 O=C1C=C(c2ccccc2)NCCN1 Amb5720509 [1,0,0,1,0,0|2,0,0]=4 384 B15R2.543 O=C1CCCC=C(c2ccccc2)N1 Amb27602228 [1,0,0,1,0,0|1,0,1]=4 385 B15R2.543 O=C1CCCCC(c2ccccc2)C1 Amb22059558 [1,0,0,1,0,0|0,0,2]=4 386 B15R2.543 O=C1CCCCC(c2ccccc2)N1 Amb25050480 [1,0,0,1,0,0|1,0,1]=4 387 B15R2.8863 NC1(\C=C\c2ccccc2)CCCC1 Amb33081127 [1,0,0,1,0,0|1,0,1]=4 388 B15R2.9941 NCCN1C(=O)C=Cc2ccccc21 Amb18563358 [1,0,0,1,0,0|2,0,0]=4 389 B15R2.9941 O=C1C=Cc2ccccc2N1CCBr Amb27668220 [1,0,0,1,0,0|2,0,0]=4 390 B15R2.9941 O=C1C=Cc2ccccc2N1CCCl Amb28203241 [1,0,0,1,0,0|2,0,0]=4 391 B15R2.9941 O=C1C=Cc2ccccc2N1CCS Amb27652623 [1,0,0,1,0,0|2,0,0]=4 392 B15R2.24490 O=C(NNc1ccccc1)C2CCC2 Amb28059221 [1,0,0,1,0,0|2,0,0]=4 393 B15R2.24494 O=C(NCc1ccccc1)OC2CC2 Amb32697658 [1,0,0,1,0,0|1,0,1]=4 394 B15R2.24494 O=C(\C=C\c1ccccc1)NC2CC2 Amb6319559 [1,0,0,1,0,0|1,0,0]=3 395 B15R2.24494 O=C(\C=C\c1cccnc1)NC2CC2 Amb28124070 [1,0,0,1,0,0|2,0,0]=4 396 B15R2.64 O=C(Cc1ccccc1)C2CCCC2 Amb17139197 [0,0,0,1,1,0|1,0,1]=4 397 B15R2.64 O=C(Nc1ccccc1)C2CCCC2 Amb2674518 [0,0,0,1,1,0|2,0,0]=4 398 B15R2.64 O=C(Nc1ccccc1)N2CCCC2 Amb1680298 [0,0,0,1,1,0|2,0,0]=4 399 B15R2.64 O=C(Oc1ccccc1)N2CCCC2 Amb2732298 [0,0,0,1,1,0|2,0,0]=4 400 B15R2.1122 CC1CCC1C(=O)Nc2ccccc2 Amb27439068 [0,0,0,1,1,0|2,0,0]=4 401 B15R2.1122 CC1CCN1C(=O)Nc2ccccc2 Amb24678783 [0,0,0,1,1,0|2,0,0]=4 402 B15R2.1256 O=C(NCC1CC1)Nc2ccccc2 Amb2744959 [0,0,0,1,1,0|2,0,0]=4 403 B15R2.1256 O=C(NCC1CC1)Oc2ccccc2 Amb24271481 [0,0,0,1,1,0|2,0,0]=4 404 B15R2.1256 O=C(Nc1ccccc1)OCC2CC2 Amb22480486 [0,0,0,1,1,0|1,0,0]=3 405 B15R2.1256 O=C(Nc1ccccc1)OCC2CO2 Amb26382772 [0,0,0,1,1,0|2,0,0]=4 406 B15R2.1435 CCCCN1C(=O)Cc2ccccc21 Amb2720641 [0,0,0,1,1,0|1,0,1]=4 407 B15R2.1435 CCCCN1C(=O)Nc2ccccc21 Amb18537190 [0,0,0,1,1,0|2,0,0]=4 408 B15R2.1435 CCCCn1c(C)cc2ccccc21 Amb8390326 [0,0,0,1,1,0|2,0,0]=4 409 B15R2.2203 CCCCOc1nc2ccccc2s1 Amb4004283 [0,0,0,1,1,0|1,1,0]=4 410 B15R2.2203 NCCCOc1cc2ccccc2s1 Amb33312152 [0,0,0,1,1,0|1,1,0]=4 411 B15R2.2280 O=C1OC[C@@H](CO)[C@@H]1c2ccccc2 Amb28069689 [0,0,0,1,1,0|1,0,1]=4 412 B15R2.4392 CCCC1OC(=O)Nc2ccccc21 Amb28040965 [0,0,0,1,1,0|1,0,0]=3 413 B15R2.4392 CSCC1OC(=O)Nc2ccccc21 Amb28120087 [0,0,0,1,1,0|2,0,0]=4 414 B15R2.4815 CCC1CNC(=O)Cc2ccccc21 Amb27983539 [0,0,0,1,1,0|1,0,1]=4 415 B15R2.16446 O=C(CC1CCC1)Nc2ccccc2 Amb6371420 [0,0,0,1,1,0|2,0,0]=4 416 B15R2.16446 O=C(NC1CCC1)Oc2ccccc2 Amb28124066 [0,0,0,1,1,0|2,0,0]=4 417 B15R2.16446 O=C(Nc1ccccc1)OC2CNC2 Amb27669747 [0,0,0,1,1,0|2,0,0]=4 418 B17R2.6511 CCCCN1C(=O)NN=C1c2ccccc2 Amb19894667 [0,0,0,1,0,1|2,0,0]=4 419 B17R2.6511 NCCCN1C(=O)SC=C1c2ccccc2 Amb18534372 [0,0,0,1,0,1|2,0,0]=4 420 B17R2.716 CCCCN1N=C(c2ccccc2)CC1=O Amb110777 [0,1,0,1,0,0|1,0,1]=4 421 B17R2.18165 CCC1CCC(O)=C1C(=O)c2ccccc2 Amb24068646 [0,1,0,1,0,0|1,0,1]=4 422 B17R2.18474 C\C(=C/C(=O)c1ccccc1)N2CCCC2 Amb2386639 [0,1,0,1,0,0|2,0,0]=4 423 B17R2.18474 N\C(=C\C(=S)N1CCCC1)c2ccccc2 Amb24100420 [0,1,0,1,0,0|1,1,0]=4 424 B17R2.18474 O\C(=C\C(=S)N1CCCC1)c2ccccc2 Amb24100422 [0,1,0,1,0,0|1,1,0]=4 425 B17R2.138581 CCCCN1C(=O)C=C(C)c2ccccc21 Amb19958260 [0,1,0,1,0,0|1,0,0]=3 426 B17R2.138581 CCCCN1C(=O)CC(=O)c2ccccc21 Amb4021583 [0,1,0,1,0,0|1,0,1]=4 427 B17R2.138581 CCCCn1c(=O)oc(=O)c2ccccc21 Amb2796142 [0,1,0,1,0,0|2,0,0]=4 428 B17R2.1074269 Cc1ccc2c(c1)N(CCCN)C(=O)C=C2 Amb31188368 [0,1,0,1,0,0|2,0,0]=4 429 B17R2.1074269 NCCCN1C(=O)C=Cc2ccc(Cl)cc21 Amb31126079 [0,1,0,1,0,0|2,0,0]=4 430 B17R2.1074269 NCCCN1C(=O)C=Cc2ccc(F)cc21 Amb31188994 [0,1,0,1,0,0|2,0,0]=4 431 B17R2.2023 CCCCNc1ccc2cccc(O)c2n1 Amb11038146 [0,1,0,1,0,0|2,0,0]=4 432 B17R2.2023 CCCCOc1ccc2cccc(O)c2c1 Amb35745234 [0,1,0,1,0,0|1,0,0]=3 433 B17R2.5287 Nc1cccc(\C=C\C(=O)N2CCCC2)c1 Amb17140961 [0,1,0,1,0,0|1,0,0]=3 434 B17R2.5287 O=C(\C=C\c1cccc(Br)c1)N2CCCC2 Amb2256356 [0,1,0,1,0,0|1,0,0]=3 435 B17R2.73925 CCCCOc1ccc2c(c1)C=CC(=O)N2 Amb18044541 [0,1,0,1,0,0|2,0,0]=4 436 B17R2.73925 CCCCOc1ccc2cc(Br)ccc2c1 Amb2413132 [0,1,0,1,0,0|1,0,0]=3 437 B17R2.73925 CNCCOc1ccc2cc(Br)ccc2c1 Amb10610417 [0,1,0,1,0,0|2,0,0]=4 438 B17R2.73925 CNCCOc1ccc2cc(Br)ccc2c1 Amb33531961 [0,1,0,1,0,0|2,0,0]=4 439 B17R2.1074268 NCCCN1C(=O)C=Cc2cccc(Br)c21 Amb31165224 [0,1,0,1,0,0|2,0,0]=4 440 B17R2.1074268 NCCCN1C(=O)C=Cc2cccc(Cl)c21 Amb31126086 [0,1,0,1,0,0|2,0,0]=4 441 B17R2.5385 CC(N)CCc1c(O)ccc2ccccc12 Amb17507319 [0,1,0,1,0,0|1,0,1]=4 442 B17R2.5385 CC(O)CCc1c(O)ccc2ccccc12 Amb17507254 [0,1,0,1,0,0|1,0,1]=4 443 B17R2.5385 C[C@@H](N)CCc1c(O)ccc2ccccc12 Amb33421060 [0,1,0,1,0,0|1,0,1]=4 444 B17R2.5385 C[C@@H](O)CCc1c(O)ccc2ccccc12 Amb33422661 [0,1,0,1,0,0|1,0,1]=4 445 B17R2.5385 C[C@H](N)CCc1c(O)ccc2ccccc12 Amb33224842 [0,1,0,1,0,0|1,0,1]=4 446 B17R2.5385 C[C@H](O)CCc1c(O)ccc2ccccc12 Amb33422662 [0,1,0,1,0,0|1,0,1]=4 447 B17R2.5669 CN(N)CCOc1ccc2ccccc2c1 Amb18067193 [0,1,0,1,0,0|2,0,0]=4 448 B17R2.2342 O=C(NCc1ccccc1)C2CCCCO2 Amb27447970 [0,1,0,1,0,0|1,0,1]=4 449 B17R2.2342 O=C(NCc1ccccc1)N2CCCCO2 Amb27242983 [0,1,0,1,0,0|1,0,1]=4 450 B17R2.2342 O=C(\C=C\c1ccccc1)C2CCCCC2 Amb17595828 [0,1,0,1,0,0|1,0,0]=3 451 B17R2.2342 O=C(\C=C\c1ccccc1)N2CCNCC2 Amb1111245 [0,1,0,1,0,0|1,0,0]=3 452 B17R2.2342 O=C(\C=C\c1ccccc1)N2CCOCC2 Amb24094235 [0,1,0,1,0,0|1,0,0]=3 453 B17R2.2342 O=C(\C=C\c1ccccn1)N2CCNCC2 Amb17082026 [0,1,0,1,0,0|2,0,0]=4 454 B17R2.2342 O=C(\C=C\c1cccnc1)N2CCNCC2 Amb17082027 [0,1,0,1,0,0|2,0,0]=4 455 B17R2.2342 O=C(\C=C\c1ccncc1)N2CCNCC2 Amb17082028 [0,1,0,1,0,0|2,0,0]=4 456 B17R2.3530 CC1CCOC1C(=O)NCc2ccccc2 Amb27255594 [0,1,0,1,0,0|1,0,1]=4 457 B17R2.4676 CCC[C@H]1O[C@@H]1C(=O)NCc2ccccc2 Amb27853936 [0,1,0,1,0,0|1,0,1]=4 458 B17R2.5879 CCNCCOc1ccc2ccccc2c1 Amb7761800 [0,1,0,1,0,0|1,0,0]=3 459 B17R2.5879 CNCCCOc1ccc2ccccc2c1 Amb7798608 [0,1,0,1,0,0|1,0,0]=3 460 B17R2.5879 N#CCCCOc1ccc2ccccc2c1 Amb6269891 [0,1,0,1,0,0|1,0,1]=4 461 B17R2.5879 NCCCCOc1ccc2cccnc2c1 Amb19108068 [0,1,0,1,0,0|2,0,0]=4 462 B17R2.5879 NCCCCOc1ccc2ccncc2c1 Amb18355165 [0,1,0,1,0,0|2,0,0]=4 463 B17R2.5879 NCCCCOc1ccc2cnccc2c1 Amb18355167 [0,1,0,1,0,0|2,0,0]=4 464 B17R2.10256 CCCNCc1c(O)ccc2ccccc12 Amb20673504 [0,1,0,1,0,0|1,0,1]=4 465 B17R2.10256 CCCNCc1c(O)ccc2ccccc12 Amb6265810 [0,1,0,1,0,0|1,0,1]=4 466 B17R2.10256 NCCCCc1c(O)ccc2ccccc12 Amb33422760 [0,1,0,1,0,0|1,0,1]=4 467 B17R2.10256 NCCCOc1c(O)ccc2ccccc12 Amb33419878 [0,1,0,1,0,0|1,0,1]=4 468 B17R2.76752 O=C(COC1CCC1)OCc2ccccc2 Amb21961300 [0,1,0,1,0,0|1,0,1]=4 469 B17R2.5722 O=C(Cc1ccccc1)C(=O)N2CCCC2 Amb17404738 [0,1,0,1,0,0|1,0,1]=4 470 B17R2.5722 O=C(\C(Cl)=C\c1ccccc1)N2CCCC2 Amb3724251 [0,1,0,1,0,0|1,0,0]=3 471 B17R2.138659 CC1=Cc2ccccc2N(CCCN)C1=O Amb18065260 [0,1,0,1,0,0|2,0,0]=4 472 B17R2.138659 CCCCN1C(=O)C(=O)Nc2ccccc21 Amb19553169 [0,1,0,1,0,0|2,0,0]=4 473 B17R2.556 CC(CN)COc1ccc2ccccc2c1 Amb8868897 [0,1,0,1,0,0|2,0,0]=4 474 B17R2.556 CC(CO)COc1ccc2ccccc2c1 Amb17242265 [0,1,0,1,0,0|2,0,0]=4 475 B17R2.556 NC(CO)COc1ccc2ccccc2c1 Amb18067293 [0,1,0,1,0,0|2,0,0]=4 476 B17R2.556 NCC(O)COc1ccc2ccccc2c1 Amb1140296 [0,1,0,1,0,0|2,0,0]=4 477 B17R2.2104 CCCCC(=O)c1ccc2ccccc2c1 Amb22263686 [0,1,0,1,0,0|2,0,0]=4 478 B17R2.2159 CC(CCN)Oc1ccc2ccccc2c1 Amb17242060 [0,1,0,1,0,0|2,0,0]=4 479 B17R2.2159 CC(CCO)Oc1ccc2ccccc2c1 Amb17242264 [0,1,0,1,0,0|2,0,0]=4 480 B17R2.2159 CCCC(=O)Oc1ccc2ccccc2c1 Amb2674590 [0,1,0,1,0,0|1,0,1]=4 481 B17R2.2159 CCCC(Br)Cc1ccc2ccccc2c1 Amb18548970 [0,1,0,1,0,0|2,0,0]=4 482 B17R2.50138 CCCC(N)c1c(C)ccc2ccccc12 Amb18275288 [0,1,0,1,0,0|2,0,0]=4 483 B17R2.50138 CCCC(N)c1c(O)ccc2ccccc12 Amb1993846 [0,1,0,1,0,0|1,0,1]=4 484 B17R2.50138 CCCC(N)c1c(O)ccc2ccccc12 Amb1993998 [0,1,0,1,0,0|1,0,1]=4 485 B17R2.103529 CCCCOc1ccc2c(Cl)nccc2c1 Amb17216947 [0,1,0,1,0,0|2,0,0]=4 486 B17R2.103529 CCCCOc1ccc2c(N)nccc2c1 Amb17216968 [0,1,0,1,0,0|2,0,0]=4 487 B17R3.7921 O=C1C=C2c3ccccc3CCCC2C1 Amb17595262 [0,0,0,2,0,0|1,0,0]=3 488 B17R3.34615 O=C1NC(c2ccccc2)C3(CCC3)O1 Amb32414090 [0,0,0,2,0,0|1,0,1]=4 489 B17R3.123564 c1ccc2cc(OC3CNC3)ccc2c1 Amb19084794 [0,0,0,2,0,0|2,0,0]=4 490 B17R3.123564 c1ccc2nc(OC3CNC3)ccc2c1 Amb22642328 [0,0,0,2,0,0|2,0,0]=4 491 B17R3.648661 c1ccc2cc(OCC3CO3)ccc2c1 Amb2495644 [0,0,0,2,0,0|2,0,0]=4 492 B17R3.5457 O=C1C=Cc2ccccc2N1CC3CO3 Amb28078141 [0,0,0,2,0,0|2,0,0]=4 493 B13R1.44 CCCCC(=O)Cc1ccccc1 Amb3940684 [1,0,0,0,1,0|0,0,1]=3 494 B13R1.44 CCCCC(=O)Nc1ccccc1 Amb3104073 [1,0,0,0,1,0|1,0,0]=3 495 B13R1.44 CCCCC(=O)Nc1ccccn1 Amb2674630 [1,0,0,0,1,0|2,0,0]=4 496 B13R1.44 CCCCC(=O)Nc1ccncc1 Amb5797736 [1,0,0,0,1,0|2,0,0]=4 497 B13R1.44 CCCCC(=O)Oc1ccccc1 Amb3123544 [1,0,0,0,1,0|1,0,0]=3 498 B13R1.44 CCCNC(=O)Nc1ccccc1 Amb1233730 [1,0,0,0,1,0|2,0,0]=4 499 B13R1.44 CCCOC(=O)Cc1ccccc1 Amb9242897 [1,0,0,0,1,0|0,0,1]=3 500 B13R1.44 CCCOC(=O)Nc1ccccc1 Amb3101936 [1,0,0,0,1,0|1,0,0]=3 501 B13R1.44 CCCOC(=O)Nc1ccccn1 Amb27481583 [1,0,0,0,1,0|2,0,0]=4 502 B13R1.44 CCCOC(=S)Nc1ccccc1 Amb8477119 [1,0,0,0,1,0|1,1,0]=4 503 B13R1.44 CCCSC(=O)Nc1ccccc1 Amb4018339 [1,0,0,0,1,0|1,1,0]=4 504 B13R1.44 CCNCC(=O)Nc1ccccc1 Amb28600287 [1,0,0,0,1,0|2,0,0]=4 505 B13R1.44 CCNCC(=O)Nc1ccccc1 Amb6242927 [1,0,0,0,1,0|2,0,0]=4 506 B13R1.44 CCOCC(=O)Nc1ccccc1 Amb2662084 [1,0,0,0,1,0|2,0,0]=4 507 B13R1.44 CCSCC(=O)Cc1ccccc1 Amb9668576 [1,0,0,0,1,0|1,0,1]=4 508 B13R1.44 CNCCC(=O)Nc1ccccc1 Amb15740952 [1,0,0,0,1,0|2,0,0]=4 509 B13R1.44 CNCCC(=O)Nc1ccccc1 Amb9833670 [1,0,0,0,1,0|2,0,0]=4 510 B13R1.44 CNCC\C(C)=C\c1ccccc1 Amb33476406 [1,0,0,0,1,0|2,0,0]=4 511 B13R1.44 CSCCC(=O)Nc1ccccc1 Amb27260793 [1,0,0,0,1,0|2,0,0]=4 512 B13R1.44 C\C(=C/c1ccccc1)CCCBr Amb33381474 [1,0,0,0,1,0|2,0,0]=4 513 B13R1.44 C\C(=C/c1ccccc1)CCCN Amb32951765 [1,0,0,0,1,0|2,0,0]=4 514 B13R1.44 C\C(=C/c1ccccc1)CCCO Amb33081745 [1,0,0,0,1,0|2,0,0]=4 515 B13R1.44 C\C(=C/c1ccccc1)CCCS Amb33381252 [1,0,0,0,1,0|2,0,0]=4 516 B13R1.44 NCCCC(=O)Nc1ccccc1 Amb13952779 [1,0,0,0,1,0|2,0,0]=4 517 B13R1.44 NCCCC(=O)Nc1ccccc1 Amb5785178 [1,0,0,0,1,0|2,0,0]=4 518 B13R1.44 O=C(CCCCl)Nc1ccccc1 Amb1125144 [1,0,0,0,1,0|2,0,0]=4 519 B13R1.44 O=C(CCCO)Nc1ccccc1 Amb17233533 [1,0,0,0,1,0|2,0,0]=4 520 B13R1.44 O=C(Cc1ccccc1)OCCCl Amb24065572 [1,0,0,0,1,0|1,0,1]=4 521 B13R1.44 O=C(Nc1ccccc1)OCCBr Amb22346582 [1,0,0,0,1,0|2,0,0]=4 522 B13R1.44 O=C(Nc1ccccc1)OCCCl Amb22369350 [1,0,0,0,1,0|2,0,0]=4 523 B13R1.44 O=C(Nc1ccccc1)OCCI Amb28183128 [1,0,0,0,1,0|2,0,0]=4 524 B13R1.44 O=C(Nc1ccccc1)OCCS Amb27782375 [1,0,0,0,1,0|2,0,0]=4 525 B13R1.24 CC#CCOC(=O)c1ccccc1 Amb27662044 [0,0,0,0,2,0|0,0,2]=4 526 B13R1.24 CCCCCC(=O)c1ccccc1 Amb6608934 [0,0,0,0,2,0|1,0,0]=3 527 B13R1.24 CCCCCC(=O)c1ccccn1 Amb6301473 [0,0,0,0,2,0|2,0,0]=4 528 B13R1.24 CCCCCC(=O)c1cccnc1 Amb18184182 [0,0,0,0,2,0|2,0,0]=4 529 B13R1.24 CCCCCC(=O)c1ccncc1 Amb18804653 [0,0,0,0,2,0|2,0,0]=4 530 B13R1.24 CCCCOC(=O)c1ccccc1 Amb6357093 [0,0,0,0,2,0|0,0,0]=2 531 B13R1.24 CCCCOC(=O)c1ccccn1 Amb4019959 [0,0,0,0,2,0|1,0,0]=3 532 B13R1.24 CCCCOC(=O)c1cccnc1 Amb17509605 [0,0,0,0,2,0|1,0,0]=3 533 B13R1.24 CCCSCC(=O)c1ccccc1 Amb9668634 [0,0,0,0,2,0|2,0,0]=4 534 B13R1.24 CCOCNC(=O)c1ccccc1 Amb24072678 [0,0,0,0,2,0|2,0,0]=4 535 B13R1.24 CCSCCC(=O)c1ccccc1 Amb32683148 [0,0,0,0,2,0|2,0,0]=4 536 B13R1.24 CNCCNC(=O)c1ccccc1 Amb19028050 [0,0,0,0,2,0|2,0,0]=4 537 B13R1.24 CSCCCC(=O)c1ccccc1 Amb18321257 [0,0,0,0,2,0|2,0,0]=4 538 B13R1.24 CSCCOC(=O)c1cccnc1 Amb24081199 [0,0,0,0,2,0|2,0,0]=4 539 B13R1.24 N#CCCOC(=O)c1ccccc1 Amb28556109 [0,0,0,0,2,0|1,0,1]=4 540 B13R1.24 NCCCNC(=O)c1ccccc1 Amb33506255 [0,0,0,0,2,0|2,0,0]=4 541 B13R1.24 NCCCNC(=O)c1ccccc1 Amb6281166 [0,0,0,0,2,0|2,0,0]=4 542 B13R1.24 O=C(CCCCCl)c1ccccc1 Amb6301784 [0,0,0,0,2,0|2,0,0]=4 543 B13R1.24 O=C(NCCCCl)c1ccccc1 Amb3887000 [0,0,0,0,2,0|2,0,0]=4 544 B13R1.24 O=C(NCCCO)c1ccccc1 Amb9243498 [0,0,0,0,2,0|2,0,0]=4 545 B13R1.24 O=C(OCCCCl)c1ccccc1 Amb24099970 [0,0,0,0,2,0|1,0,0]=3