0 B15R2.1428 CCCC[C@H]1NC(=O)c2ccccc21 Amb27588014 [0,0,0,0,0,0|1,0,2]=3 1 B15R2.1428 CCCCn1nc(S)c2ccccc21 Amb4106225 [0,0,0,0,0,0|2,1,1]=4 2 B15R2.1428 CCCNC1=NC(=O)c2ccccc21 Amb27811644 [0,0,0,0,0,0|2,0,0]=2 3 B15R2.1428 CCCNC1=NS(=O)c2ccccc21 Amb27390149 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.1428 CCCNC1NC(=O)c2ccccc21 Amb27400593 [0,0,0,0,0,0|2,0,1]=3 5 B15R2.1428 CCCOC1OC(=O)c2ccccc21 Amb4020182 [0,0,0,0,0,0|1,0,1]=2 6 B15R2.1428 CCCSc1nc(Br)c2ccccn12 Amb25995902 [0,0,0,0,0,0|4,0,0]=4 7 B15R2.1428 CCC\C=C1/OC(=O)C2=C1CCC=C2 Amb22172901 [0,0,0,0,0,0|0,0,2]=2 8 B15R2.1428 CCC\C=C1/OC(=O)c2ccccc21 Amb22732243 [0,0,0,0,0,0|0,0,0]=0 9 B15R2.1428 CO\N=C\C1SC(=O)c2ccccc21 Amb2440310 [0,0,0,0,0,0|2,1,1]=4 10 B15R2.1428 N=C1N=C(OCCO)c2ccccc21 Amb27593946 [0,0,0,0,0,0|4,0,0]=4 11 B15R2.1428 O=C1O\C(=C\CCCl)c2ccccc21 Amb28053426 [0,0,0,0,0,0|1,0,0]=1 12 B15R2.1428 O=C=N\C=C1/OC(=O)c2ccccc21 Amb28325978 [0,0,0,0,0,0|2,0,1]=3 13 B15R2.1428 O=C=N\C=C1\OC(=O)c2ccccc21 Amb28076820 [0,0,0,0,0,0|2,0,1]=3 14 B14R2.3 CCCCc1ncc2ccccn12 Amb17138744 [1,0,0,0,0,0|2,0,1]=4 15 B14R2.3 CCCNc1csc2ccccc12 Amb27186106 [1,0,0,0,0,0|3,0,0]=4 16 B14R2.3 CCCNc1nsc2ccccc12 Amb26845355 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.3 N#C\C=C\c1occ2ccccc12 Amb27191592 [1,0,0,0,0,0|1,0,2]=4 18 B14R2.3 NCCCc1onc2ccccc12 Amb18196761 [1,0,0,0,0,0|2,0,1]=4 19 B14R2.510 C#C\C=C1\NC(=O)c2ccccc21 Amb28132361 [1,0,0,0,0,0|1,0,2]=4 20 B14R2.510 C=C\C=C1\NC(=O)c2ccccc21 Amb27215616 [1,0,0,0,0,0|1,0,2]=4 21 B14R2.510 CCCC1CC(=O)c2ccccc21 Amb17233023 [1,0,0,0,0,0|1,0,1]=3 22 B14R2.510 CCCc1nc(Br)c2ccccn12 Amb31132610 [1,0,0,0,0,0|3,0,0]=4 23 B14R2.510 CCCn1nc(Br)c2ccccc21 Amb23568588 [1,0,0,0,0,0|3,0,0]=4 24 B14R2.510 CCCn1nc(Cl)c2ccccc21 Amb27834923 [1,0,0,0,0,0|3,0,0]=4 25 B14R2.510 CCCn1nc(N)c2ccccc21 Amb4416705 [1,0,0,0,0,0|3,0,0]=4 26 B14R2.510 CCNC1=NS(=O)c2ccccc21 Amb27397585 [1,0,0,0,0,0|3,0,0]=4 27 B14R2.510 CCOC1=NC(=N)c2ccccc21 Amb27847155 [1,0,0,0,0,0|3,0,0]=4 28 B14R2.510 CCOC1NC(=O)c2ccccc21 Amb2667779 [1,0,0,0,0,0|2,0,1]=4 29 B14R2.510 CCOC1OC(=O)c2cnccc21 Amb22372211 [1,0,0,0,0,0|2,0,1]=4 30 B14R2.510 CCOC1OC(=O)c2ncccc21 Amb21927572 [1,0,0,0,0,0|2,0,1]=4 31 B14R2.510 CC\C=C1/OC(=O)c2ccccc21 Amb22730297 [1,0,0,0,0,0|0,0,0]=1 32 B14R2.510 CC\N=C1/NC(=O)c2cccnc21 Amb24743248 [1,0,0,0,0,0|3,0,0]=4 33 B14R2.510 CN\N=C1/CC(=O)c2ccccc21 Amb22520567 [1,0,0,0,0,0|3,0,0]=4 34 B14R2.510 CN\N=C1\CC(=O)c2ccccc21 Amb27627429 [1,0,0,0,0,0|3,0,0]=4 35 B14R2.510 NCCC1NC(=O)c2ccccc21 Amb18196795 [1,0,0,0,0,0|2,0,1]=4 36 B14R2.510 NN\C=C1\OC(=O)c2ccccc21 Amb27872420 [1,0,0,0,0,0|2,0,0]=3 37 B16R2.30799 CCCCN1C(=O)C(=O)c2ccccc21 Amb6335575 [0,1,0,0,0,0|2,0,1]=4 38 B16R2.31634 CCCCn1cc(C=O)c2ccccc21 Amb6550004 [0,1,0,0,0,0|2,0,1]=4 39 B16R2.154585 CCCC(=O)c1cn(C)c2ccccc12 Amb8852058 [0,1,0,0,0,0|3,0,0]=4 40 B16R2.154585 CCCC(=O)c1nc(C)n2ccccc12 Amb31112411 [0,1,0,0,0,0|3,0,0]=4 41 B16R2.154585 CCOC(=O)N1NC(=O)c2ccccc21 Amb22442180 [0,1,0,0,0,0|3,0,0]=4 42 B14R1.38 CCCCCCC(=O)c1ccccc1 Amb6609017 [0,0,1,0,0,0|1,0,2]=4 43 B14R1.38 CCCCCOC(=O)c1ccccc1 Amb6357325 [0,0,1,0,0,0|0,0,2]=3 44 B14R1.38 CCCCSCC(=O)c1ccccc1 Amb9667920 [0,0,1,0,0,0|2,0,1]=4 45 B14R1.38 CCCSCCC(=O)c1ccccc1 Amb32683161 [0,0,1,0,0,0|2,0,1]=4 46 B14R1.38 CCOCCOC(=O)c1ccccc1 Amb22732198 [0,0,1,0,0,0|1,0,2]=4 47 B14R1.38 O=C(OCCCCCl)c1ccccc1 Amb2720553 [0,0,1,0,0,0|1,0,2]=4 48 B14R1.38 O=C(OCCCCI)c1ccccc1 Amb2725258 [0,0,1,0,0,0|1,0,2]=4 49 B14R1.903 CCCCNc1ccccc1C(=O)O Amb1205497 [0,0,1,0,0,0|1,0,1]=3 50 B14R1.903 CCCCNc1ncccc1C(=O)O Amb6675229 [0,0,1,0,0,0|2,0,1]=4 51 B14R1.903 CCCCOc1ccccc1C(=O)O Amb1139953 [0,0,1,0,0,0|1,0,1]=3 52 B14R1.903 CCCCOc1ccccc1C(C)=O Amb6265364 [0,0,1,0,0,0|2,0,1]=4 53 B14R1.903 CCCCOc1ncccc1C(=O)O Amb8895153 [0,0,1,0,0,0|2,0,1]=4 54 B14R1.903 CCCCSc1ccccc1C(=O)O Amb1133402 [0,0,1,0,0,0|1,0,1]=3 55 B14R1.903 CCCNCc1ccccc1C(=O)O Amb19649731 [0,0,1,0,0,0|1,0,1]=3 56 B14R1.903 CCCSCc1ccccc1C(=O)O Amb9333136 [0,0,1,0,0,0|1,0,1]=3 57 B14R1.903 COCC#Cc1ccccc1C(=O)O Amb26378325 [0,0,1,0,0,0|1,0,2]=4 58 B14R1.903 COCCOc1ccccc1C(=O)O Amb2189154 [0,0,1,0,0,0|2,0,1]=4 59 B14R1.903 COCCSc1ccccc1C(=O)O Amb1928153 [0,0,1,0,0,0|2,0,1]=4 60 B14R1.903 CO\C=C/Nc1ccccc1C(=O)O Amb27803801 [0,0,1,0,0,0|2,0,1]=4 61 B14R1.903 NCCCSc1ccccc1C(=O)O Amb32425102 [0,0,1,0,0,0|2,0,1]=4 62 B14R1.903 O=C(O)c1ccccc1NCCCO Amb5539492 [0,0,1,0,0,0|2,0,1]=4 63 B16R3.18377 CC1CNC2c3ccccc3C(=O)N12 Amb27461916 [0,0,0,1,0,0|2,0,1]=4 64 B16R3.18377 CC1COC2c3ccccc3C(=O)N12 Amb24115442 [0,0,0,1,0,0|2,0,1]=4 65 B16R3.20606 O=C1C2=C(CCNC2)c3ccccc31 Amb27249556 [0,0,0,1,0,0|2,0,1]=4 66 B16R3.20606 O=C1c2ccccc2C3CCCCC13 Amb16191934 [0,0,0,1,0,0|1,0,2]=4 67 B16R3.20606 O=C1c2ccccc2C3NCCCN13 Amb2724124 [0,0,0,1,0,0|2,0,1]=4 68 B16R3.20606 O=C1c2ccccc2C3OCCCN13 Amb22000161 [0,0,0,1,0,0|2,0,1]=4 69 B16R3.29373 O=C1Oc2ccc(Br)c3cccc1c23 Amb25165116 [0,0,0,1,0,0|1,0,2]=4 70 B16R3.52766 O=C1NC(C2CCC2)c3ccccc31 Amb27648421 [0,0,0,1,0,0|1,0,2]=4 71 B16R3.52767 O=C1OC(NC2CC2)c3ccccc31 Amb2973563 [0,0,0,1,0,0|1,0,1]=3 72 B16R3.180227 O=C1OC2(CCCC2)c3ccccc31 Amb6298094 [0,0,0,1,0,0|0,0,2]=3 73 B16R3.180227 O=C1OC2(CCNC2)c3ccccc31 Amb22395726 [0,0,0,1,0,0|1,0,2]=4 74 B16R2.1054 CCCCc1cc(Cl)c2ccccc2n1 Amb22497152 [0,0,0,0,0,1|2,0,1]=4 75 B16R2.1054 CCCCc1nc(Cl)c2ccccc2n1 Amb33249890 [0,0,0,0,0,1|2,0,1]=4 76 B16R2.1054 CCCCc1nc(N)c2ccccc2n1 Amb33218224 [0,0,0,0,0,1|2,0,1]=4 77 B16R2.1054 CCCCc1nc(O)c2ccccc2n1 Amb33249886 [0,0,0,0,0,1|1,0,2]=4 78 B16R2.1054 CCCOc1cc(N)c2ccccc2n1 Amb32669487 [0,0,0,0,0,1|3,0,0]=4 79 B16R2.1054 CCCSC1=NC(=O)c2ccccc2N1 Amb20030161 [0,0,0,0,0,1|2,0,0]=3 80 B16R2.1054 CCNCC1=Nc2ccccc2C(=O)N1 Amb18288816 [0,0,0,0,0,1|2,0,1]=4 81 B16R2.1054 CCNCC1=Nc2ccccc2C(=O)N1 Amb19372327 [0,0,0,0,0,1|2,0,1]=4 82 B16R2.1054 CNCCC1=Nc2ccccc2C(=O)N1 Amb18864806 [0,0,0,0,0,1|2,0,1]=4 83 B16R2.1054 NCCCC1=Nc2ccccc2C(=O)N1 Amb18864803 [0,0,0,0,0,1|2,0,1]=4 84 B16R2.1054 O=C1NC(NCCO)=Nc2ccccc21 Amb17986949 [0,0,0,0,0,1|3,0,0]=4 85 B16R2.12192 CCCNc1nnc(Cl)c2ccccc12 Amb19748510 [0,0,0,0,0,1|3,0,0]=4 86 B16R2.12192 CCCOc1ccc(N)c2ccccc12 Amb18055504 [0,0,0,0,0,1|3,0,0]=4 87 B16R2.12202 CCCCc1nc(N)cc2ccccc12 Amb2612443 [0,0,0,0,0,1|2,0,1]=4 88 B16R2.12202 CCCNC1=CC(=O)Oc2ccccc21 Amb21948601 [0,0,0,0,0,1|2,0,0]=3 89 B16R2.12202 CCCNc1nc(Cl)nc2ccccc12 Amb5785689 [0,0,0,0,0,1|3,0,0]=4 90 B16R2.12202 CCCNc1nc(F)nc2ccccc12 Amb35677823 [0,0,0,0,0,1|3,0,0]=4 91 B16R2.12202 CCCOc1nc(Cl)nc2ccccc12 Amb27493832 [0,0,0,0,0,1|3,0,0]=4 92 B16R2.12202 CCCOc1nc(F)nc2ccccc12 Amb35677181 [0,0,0,0,0,1|3,0,0]=4 93 B16R2.12202 CCCSc1nc(Cl)nc2ccccc12 Amb28341618 [0,0,0,0,0,1|3,0,0]=4 94 B16R2.12202 CCCSc1nc(F)nc2ccccc12 Amb35676844 [0,0,0,0,0,1|3,0,0]=4 95 B16R2.12202 NCCOC1=CC(=O)Oc2ccccc21 Amb22642628 [0,0,0,0,0,1|3,0,0]=4 96 B13R1.24 CCCCCC(=O)c1ccccc1 Amb6608934 [1,0,1,0,0,0|0,0,2]=4 97 B13R1.24 CCCCOC(=O)c1ccccc1 Amb6357093 [1,0,1,0,0,0|0,0,1]=3 98 B13R1.24 CCCCOC(=O)c1ccccn1 Amb4019959 [1,0,1,0,0,0|1,0,1]=4 99 B13R1.24 CCCCOC(=O)c1cccnc1 Amb17509605 [1,0,1,0,0,0|1,0,1]=4 100 B13R1.24 CCCN\C=C(/N)c1ccccc1 Amb27165205 [1,0,1,0,0,0|2,0,0]=4 101 B13R1.24 CCCSCC(=O)c1ccccc1 Amb9668634 [1,0,1,0,0,0|1,0,1]=4 102 B13R1.24 CCN\C=C/C(=O)c1ccccc1 Amb27415685 [1,0,1,0,0,0|1,0,0]=3 103 B13R1.24 CCO\C=C\C(=O)c1ccccc1 Amb33291556 [1,0,1,0,0,0|1,0,0]=3 104 B13R1.24 CCO\C=C\C(=O)c1ccccn1 Amb33355208 [1,0,1,0,0,0|2,0,0]=4 105 B13R1.24 CCO\C=C\C(=O)c1cccnc1 Amb33355207 [1,0,1,0,0,0|2,0,0]=4 106 B13R1.24 CCO\C=C\C(=O)c1ccncc1 Amb33355206 [1,0,1,0,0,0|2,0,0]=4 107 B13R1.24 O=C(OCCCCl)c1ccccc1 Amb24099970 [1,0,1,0,0,0|1,0,1]=4 108 B13R1.398 CC\C=C(\N=C=O)c1ccccc1 Amb27864538 [1,0,1,0,0,0|1,0,1]=4 109 B13R1.398 C\C=C\C(=C/C=O)c1ccccc1 Amb27440033 [1,0,1,0,0,0|1,0,1]=4 110 B13R1.84 CCCCOc1ccccc1C=O Amb6705789 [1,0,1,0,0,0|1,0,1]=4 111 B13R1.84 CCCCSc1ccccc1C=O Amb30592316 [1,0,1,0,0,0|1,0,1]=4 112 B13R1.572 CCC#Cc1ccccc1C(=O)O Amb25956127 [1,0,1,0,0,0|0,0,2]=4 113 B13R1.572 CCCCc1ccccc1C(=O)O Amb32951200 [1,0,1,0,0,0|0,0,1]=3 114 B13R1.572 CCCNc1ccccc1C(=O)O Amb1110239 [1,0,1,0,0,0|1,0,0]=3 115 B13R1.572 CCCNc1ccccc1C(N)=O Amb18796024 [1,0,1,0,0,0|2,0,0]=4 116 B13R1.572 CCCNc1cnccc1C(=O)O Amb28188977 [1,0,1,0,0,0|2,0,0]=4 117 B13R1.572 CCCNc1ncccc1C(=O)O Amb6674958 [1,0,1,0,0,0|2,0,0]=4 118 B13R1.572 CCCOc1ccccc1C(=O)Cl Amb8393734 [1,0,1,0,0,0|2,0,0]=4 119 B13R1.572 CCCOc1ccccc1C(=O)O Amb1140823 [1,0,1,0,0,0|1,0,0]=3 120 B13R1.572 CCCOc1ccccc1C(=O)[O-] Amb33513158 [1,0,1,0,0,0|1,0,1]=4 121 B13R1.572 CCCOc1ccccc1C(C)=O Amb6259401 [1,0,1,0,0,0|2,0,0]=4 122 B13R1.572 CCCOc1ccccc1C(N)=O Amb5846702 [1,0,1,0,0,0|2,0,0]=4 123 B13R1.572 CCCOc1cccnc1C(=O)O Amb8009480 [1,0,1,0,0,0|2,0,0]=4 124 B13R1.572 CCCSc1ccccc1C(=O)O Amb1138545 [1,0,1,0,0,0|1,0,0]=3 125 B13R1.572 CCNCc1ccccc1C(=O)O Amb10242754 [1,0,1,0,0,0|1,0,1]=4 126 B13R1.572 CCOCc1ccccc1C(=O)O Amb9333064 [1,0,1,0,0,0|1,0,1]=4 127 B13R1.572 CCSCc1ccccc1C(=O)O Amb9272232 [1,0,1,0,0,0|1,0,1]=4 128 B13R1.572 CC\C=C\c1ccccc1C(=O)O Amb27781528 [1,0,1,0,0,0|0,0,0]=2 129 B13R1.572 CNCCc1ccccc1C(=O)O Amb28600353 [1,0,1,0,0,0|1,0,1]=4 130 B13R1.572 CNCCc1ccccc1C(=O)O Amb32718804 [1,0,1,0,0,0|1,0,1]=4 131 B13R1.572 COCCc1ccccc1C(=O)O Amb33191750 [1,0,1,0,0,0|1,0,1]=4 132 B13R1.572 C\C=C/Oc1ccccc1C(=O)O Amb28121137 [1,0,1,0,0,0|1,0,1]=4 133 B13R1.572 C\C=C\Cc1ccccc1C(=O)O Amb24426260 [1,0,1,0,0,0|0,0,2]=4 134 B13R1.572 NC(=O)c1ccccc1\C=C\CO Amb20248381 [1,0,1,0,0,0|2,0,0]=4 135 B13R1.572 NCCNc1ccccc1C(=O)O Amb18186560 [1,0,1,0,0,0|2,0,0]=4 136 B13R1.572 NCCSc1ccccc1C(=O)O Amb33755442 [1,0,1,0,0,0|2,0,0]=4 137 B13R1.572 NCCSc1ccccc1C(=O)O Amb9174994 [1,0,1,0,0,0|2,0,0]=4 138 B13R1.572 O=C(O)c1ccccc1NCCO Amb1102882 [1,0,1,0,0,0|2,0,0]=4 139 B13R1.572 O=C(O)c1ccccc1OCCF Amb31207829 [1,0,1,0,0,0|2,0,0]=4 140 B13R1.572 O=C(O)c1ccccc1OCCO Amb2697954 [1,0,1,0,0,0|2,0,0]=4 141 B13R1.572 O=C(O)c1ccccc1SCCO Amb33532641 [1,0,1,0,0,0|2,0,0]=4 142 B13R1.464 C=C(OCC)c1ccccc1C=O Amb33136306 [1,0,1,0,0,0|2,0,0]=4 143 B13R1.464 CCNC(=O)c1ccccc1C=O Amb25305984 [1,0,1,0,0,0|1,0,1]=4 144 B13R1.464 CCOC(=O)c1ccccc1C=O Amb8396096 [1,0,1,0,0,0|1,0,1]=4 145 B13R1.464 C\C=C\C(=O)c1ccccc1C=O Amb25208969 [1,0,1,0,0,0|0,0,2]=4 146 B13R2.1 BrCCc1onc2ccccc12 Amb28051589 [2,0,0,0,0,0|2,0,0]=4 147 B13R2.1 CCCc1ccc2ccccn12 Amb28145853 [2,0,0,0,0,0|2,0,0]=4 148 B13R2.1 CCCc1ncc2ccccn12 Amb17138510 [2,0,0,0,0,0|2,0,0]=4 149 B13R2.1 CCCc1noc2ccccc12 Amb27225179 [2,0,0,0,0,0|2,0,0]=4 150 B13R2.1 N#CCc1occ2ccccc12 Amb34916675 [2,0,0,0,0,0|1,0,1]=4 151 B13R2.1 NCCc1onc2ccccc12 Amb18829745 [2,0,0,0,0,0|2,0,0]=4 152 B13R2.1 NOCc1occ2ccccc12 Amb25319347 [2,0,0,0,0,0|2,0,0]=4 153 B13R2.1 OC\C=C1\C=Cc2ccccc21 Amb27651915 [2,0,0,0,0,0|2,0,0]=4 154 B13R2.1 O\N=C/c1occ2ccccc12 Amb27490828 [2,0,0,0,0,0|2,0,0]=4 155 B13R2.2931 CCC1CC(=O)c2ccccc21 Amb17232326 [2,0,0,0,0,0|1,0,1]=4 156 B13R2.2931 CCC1NC(=O)c2ccccc21 Amb27785371 [2,0,0,0,0,0|1,0,1]=4 157 B13R2.2931 CNC1=NC(=O)c2ccccc21 Amb25295230 [2,0,0,0,0,0|2,0,0]=4 158 B13R2.2931 COC1OC(=O)c2ccccc21 Amb2611631 [2,0,0,0,0,0|1,0,1]=4 159 B13R2.2931 CO[IH2]1OC(=O)c2ccccc21 Amb27393085 [2,0,0,0,0,0|2,0,0]=4 160 B13R2.2931 C\C=C1/NC(=O)c2ccccc21 Amb27770785 [2,0,0,0,0,0|1,0,0]=3 161 B13R2.2931 C\C=C1\NC(=O)c2ccccc21 Amb28052972 [2,0,0,0,0,0|1,0,0]=3 162 B13R2.2931 NCC1OC(=O)c2ccccc21 Amb27601246 [2,0,0,0,0,0|1,0,1]=4 163 B13R2.2931 O=C1OC(CI)c2ccccc21 Amb28188727 [2,0,0,0,0,0|1,0,1]=4 164 B13R2.2931 O=C1OC(CO)c2ccccc21 Amb27175627 [2,0,0,0,0,0|1,0,1]=4 165 B13R2.2931 O=C1ON(CO)c2ccccc21 Amb27178555 [2,0,0,0,0,0|2,0,0]=4 166 B15R1.30 CCCCCOC(=O)c1ccc(N)cc1 Amb1014020 [0,1,1,0,0,0|0,0,2]=4 167 B15R1.30 CCCCCOC(=O)c1ccc(O)cc1 Amb6357759 [0,1,1,0,0,0|0,0,2]=4 168 B15R1.31 CCCCCOC(=O)c1cccc(N)c1 Amb17307671 [0,1,1,0,0,0|0,0,2]=4 169 B15R1.89 CCCC(=O)NNC(=O)c1ccccc1 Amb3097365 [0,1,1,0,0,0|2,0,0]=4 170 B15R1.89 CCCC(C)COC(=O)c1ccccc1 Amb22732416 [0,1,1,0,0,0|0,0,2]=4 171 B15R1.89 CCOC(=O)\C=C\C(=O)c1ccccc1 Amb2435419 [0,1,1,0,0,0|2,0,0]=4 172 B15R1.138 O=C(OCCCCCCl)c1ccccc1 Amb2721170 [0,1,1,0,0,0|0,0,2]=4 173 B15R1.3965 CCCCCOC(=O)c1ccccc1N Amb17307688 [0,1,1,0,0,0|0,0,2]=4 174 B15R1.241 CCCCCNc1ccccc1C(=O)O Amb841593 [0,1,1,0,0,0|0,0,2]=4 175 B15R1.241 CCCCCOc1ccccc1C(=O)O Amb6540533 [0,1,1,0,0,0|0,0,2]=4 176 B15R1.241 CCCCSCc1ccccc1C(=O)O Amb9280302 [0,1,1,0,0,0|0,0,2]=4 177 B15R1.241 CCOCCOc1ccccc1C(=O)O Amb2081549 [0,1,1,0,0,0|1,0,1]=4 178 B15R1.559 CCCCNc1ccc(Br)cc1C(=O)O Amb2787658 [0,1,1,0,0,0|1,0,1]=4 179 B15R1.559 CCCCNc1ccc(C)cc1C(=O)O Amb2787179 [0,1,1,0,0,0|1,0,1]=4 180 B15R1.559 CCCCNc1ccc(Cl)cc1C(=O)O Amb2787871 [0,1,1,0,0,0|1,0,1]=4 181 B15R1.559 CCCCNc1ccc(N)cc1C(=O)O Amb24070998 [0,1,1,0,0,0|1,0,1]=4 182 B15R1.559 CCCCOc1ccc(Br)cc1C(=O)O Amb6541241 [0,1,1,0,0,0|1,0,1]=4 183 B15R1.559 CCCCOc1ccc(C)cc1C(=O)O Amb17201346 [0,1,1,0,0,0|1,0,1]=4 184 B15R1.559 CCCCOc1ccc(Cl)cc1C(=O)O Amb3992451 [0,1,1,0,0,0|1,0,1]=4 185 B15R1.559 CCCCSc1ccc(Cl)cc1C(=O)O Amb24271723 [0,1,1,0,0,0|1,0,1]=4 186 B15R1.1159 CCCCNc1cc(F)ccc1C(=O)O Amb32425622 [0,1,1,0,0,0|1,0,1]=4 187 B15R1.1159 CCCCOc1cc(Br)ccc1C(=O)O Amb8895348 [0,1,1,0,0,0|1,0,1]=4 188 B15R1.1191 CCCCNc1ccccc1C(=O)OC Amb841670 [0,1,1,0,0,0|1,0,1]=4 189 B15R1.1191 CCO\C=N\c1ccccc1C(=O)OC Amb24066619 [0,1,1,0,0,0|2,0,0]=4 190 B15R1.1239 O=C(O)c1ccccc1C(=O)NCCO Amb2970537 [0,1,1,0,0,0|2,0,0]=4 191 B15R1.1239 O=C(O)c1ccccc1C(=O)OCCBr Amb17779720 [0,1,1,0,0,0|2,0,0]=4 192 B15R1.1239 O=C(O)c1ccccc1C(=O)OCCCl Amb17845119 [0,1,1,0,0,0|2,0,0]=4 193 B15R1.1239 O=C(O)c1ccccc1C(=O)OCCO Amb4166331 [0,1,1,0,0,0|2,0,0]=4 194 B15R1.1274 CCCC(=O)Nc1ccccc1C(=O)O Amb6405526 [0,1,1,0,0,0|1,0,0]=3 195 B15R1.1274 CCCC(=O)Nc1ccccc1C(C)=O Amb6274350 [0,1,1,0,0,0|2,0,0]=4 196 B15R1.1274 CCCC(=O)Nc1ccccc1C(N)=O Amb6337700 [0,1,1,0,0,0|2,0,0]=4 197 B15R1.1274 CCCC(=O)Nc1ccncc1C(=O)O Amb27236030 [0,1,1,0,0,0|2,0,0]=4 198 B15R1.1274 CCNC(=O)Nc1ccccc1C(=O)O Amb4411695 [0,1,1,0,0,0|2,0,0]=4 199 B15R1.1274 CCNC(=S)Nc1ccccc1C(=O)O Amb23129357 [0,1,1,0,0,0|2,0,0]=4 200 B15R1.1274 CCN\C(C)=N/c1ccccc1C(=O)O Amb24106945 [0,1,1,0,0,0|2,0,0]=4 201 B15R1.1274 CCOC(=O)Nc1ccccc1C(=O)O Amb2550352 [0,1,1,0,0,0|2,0,0]=4 202 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)O Amb2605955 [0,1,1,0,0,0|2,0,0]=4 203 B15R1.1274 CNCC(=O)Nc1ccccc1C(=O)O Amb404588 [0,1,1,0,0,0|2,0,0]=4 204 B15R1.1274 COCC(=O)Nc1ccccc1C(=O)O Amb1118039 [0,1,1,0,0,0|2,0,0]=4 205 B15R1.1274 NCCC(=O)Nc1ccccc1C(=O)O Amb18305470 [0,1,1,0,0,0|2,0,0]=4 206 B15R1.1274 O=C(CCBr)Nc1ccccc1C(=O)O Amb28207913 [0,1,1,0,0,0|2,0,0]=4 207 B15R1.1274 O=C(CCCl)Nc1ccccc1C(=O)O Amb6802870 [0,1,1,0,0,0|2,0,0]=4 208 B15R1.3990 CCCCNc1c(Cl)cccc1C(=O)O Amb2788371 [0,1,1,0,0,0|1,0,1]=4 209 B15R1.3990 CCCCNc1c(N)cccc1C(=O)O Amb32708740 [0,1,1,0,0,0|1,0,1]=4 210 B15R1.8882 CC(C)CCNc1ccccc1C(=O)O Amb841594 [0,1,1,0,0,0|1,0,1]=4 211 B15R1.8882 CC(C)CCOc1ccccc1C(=O)O Amb1141182 [0,1,1,0,0,0|1,0,1]=4 212 B15R1.8882 CC(C)CCSc1ccccc1C(=O)O Amb1141638 [0,1,1,0,0,0|1,0,1]=4 213 B15R1.8882 CC(C)CSCc1ccccc1C(=O)O Amb9272276 [0,1,1,0,0,0|1,0,1]=4 214 B15R1.1240 CCCOC(=O)c1ccccc1NC=O Amb24096901 [0,1,1,0,0,0|1,0,1]=4 215 B15R2.73 CCCC(=O)c1ncn2ccccc12 Amb27242513 [1,1,0,0,0,0|2,0,0]=4 216 B15R2.73 CNCC(O)c1occ2ccccc12 Amb27183436 [1,1,0,0,0,0|1,0,1]=4 217 B15R2.1385 CCC\C=C1\CCc2cc(N)ccc21 Amb27258551 [1,1,0,0,0,0|1,0,1]=4 218 B15R2.1435 CCC\C=C1\C(=O)Nc2ccccc21 Amb27791984 [1,1,0,0,0,0|2,0,0]=4 219 B15R2.10698 CCCN1C(=O)C(=O)c2ccccc21 Amb1349646 [1,1,0,0,0,0|2,0,0]=4 220 B15R2.11492 CCCn1cc(C=O)c2ccccc21 Amb2721961 [1,1,0,0,0,0|2,0,0]=4 221 B15R2.11492 CCCn1nc(C=O)c2ccccc21 Amb23455185 [1,1,0,0,0,0|2,0,0]=4 222 B15R2.11494 CCCC1CC(=O)c2cc(C)ccc21 Amb17234578 [1,1,0,0,0,0|1,0,1]=4 223 B15R2.11494 CCCC1CC(=O)c2cc(Cl)ccc21 Amb17240131 [1,1,0,0,0,0|1,0,1]=4 224 B15R2.11494 CCCC1CC(=O)c2cc(F)ccc21 Amb17235362 [1,1,0,0,0,0|1,0,1]=4 225 B15R2.11494 CCCN1NC(=O)c2cc(N)ccc21 Amb28458476 [1,1,0,0,0,0|2,0,0]=4 226 B15R2.23388 CCC(C)C1NC(=O)c2ccccc21 Amb27849955 [1,1,0,0,0,0|1,0,1]=4 227 B15R2.23388 CCC(N)C1OC(=O)c2ccccc21 Amb28131374 [1,1,0,0,0,0|0,0,1]=3 228 B15R2.23388 CC\C(C)=C1\OC(=O)c2ccccc21 Amb25254906 [1,1,0,0,0,0|0,0,0]=2 229 B15R2.23388 COC(=O)c1oc(O)c2ccccc12 Amb28398580 [1,1,0,0,0,0|1,0,1]=4 230 B15R2.23388 O=C1OC(C(=O)CCl)c2ccccc21 Amb27588227 [1,1,0,0,0,0|1,0,1]=4 231 B15R2.53147 CC(C)=CC1=CC(=O)c2ccccc21 Amb27225901 [1,1,0,0,0,0|1,0,1]=4 232 B15R2.53147 CC(C)CC1CC(=O)c2ccccc21 Amb17234577 [1,1,0,0,0,0|1,0,1]=4 233 B15R2.53147 CC(C)CC1OC(=O)c2ccccc21 Amb24115404 [1,1,0,0,0,0|0,0,1]=3 234 B15R2.53147 CC(C)OC1OC(=O)c2ccccc21 Amb4012599 [1,1,0,0,0,0|1,0,1]=4 235 B15R2.53147 CC(C)\N=C1\OC(=O)c2ccccc21 Amb28249568 [1,1,0,0,0,0|1,0,0]=3 236 B15R2.53147 CN(C)\C=C1/OC(=O)c2ccccc21 Amb21933405 [1,1,0,0,0,0|1,0,0]=3 237 B15R2.53147 CN(C)\C=C1\OC(=O)c2ccccc21 Amb25258166 [1,1,0,0,0,0|1,0,0]=3 238 B15R2.53147 O=C(O)\C=C1/OC(=O)c2ccccc21 Amb19517108 [1,1,0,0,0,0|1,0,1]=4 239 B15R2.53147 O=C(O)\C=C1\OC(=O)c2ccccc21 Amb6543421 [1,1,0,0,0,0|1,0,1]=4 240 B15R2.56230 CCCC1OC(=O)c2cccc(O)c21 Amb27599417 [1,1,0,0,0,0|0,0,1]=3 241 B15R2.56233 CCCC1OC(=O)c2ccc(O)cc21 Amb24633351 [1,1,0,0,0,0|0,0,1]=3 242 B17R2.12072 CCCCSC1=Nc2ccccc2C(=O)N1 Amb21867766 [0,1,0,0,0,1|1,0,1]=4 243 B17R2.12072 COCCNC1=Cc2ccccc2C(=O)N1 Amb18304253 [0,1,0,0,0,1|2,0,0]=4 244 B17R2.40403 CC(C)CSC1=Nc2ccccc2C(=O)N1 Amb17987841 [0,1,0,0,0,1|2,0,0]=4 245 B17R2.49938 CCOC(=O)C1=CC(=O)c2ccccc2N1 Amb20259623 [0,1,0,0,0,1|2,0,0]=4 246 B17R2.49938 CCOC(=O)C1=CC(=O)c2ccccc2O1 Amb19665772 [0,1,0,0,0,1|2,0,0]=4 247 B17R2.49938 CCOC(=O)C1=Cc2ccccc2C(=O)N1 Amb22498018 [0,1,0,0,0,1|2,0,0]=4 248 B17R2.49938 CCOC(=O)C1=Cc2ccccc2C(=O)O1 Amb22750237 [0,1,0,0,0,1|1,0,0]=3 249 B17R2.49938 CCOC(=O)C1=Cc2ccccc2C(=O)S1 Amb18003606 [0,1,0,0,0,1|1,1,0]=4 250 B17R2.49938 CCOC(=O)C1=Cc2ccncc2C(=O)O1 Amb19930094 [0,1,0,0,0,1|2,0,0]=4 251 B17R2.49938 CCOC(=O)C1=NC(=O)c2ccccc2N1 Amb22733828 [0,1,0,0,0,1|2,0,0]=4 252 B17R2.49938 CCOC(=O)C1=Nc2ccccc2C(=O)N1 Amb18000379 [0,1,0,0,0,1|2,0,0]=4 253 B17R2.49938 CCOC(=O)C1Cc2ccccc2C(=O)O1 Amb1041924 [0,1,0,0,0,1|1,0,1]=4 254 B17R2.56295 CCCNC1=Nc2ccc(C)cc2C(=O)N1 Amb28556775 [0,1,0,0,0,1|2,0,0]=4 255 B17R2.50010 CCCC(=O)c1ccc(O)c2ccccc12 Amb18553395 [0,1,0,0,0,1|1,0,1]=4 256 B17R2.50010 CCNC(=O)C1=NNC(=O)c2ccccc21 Amb19803244 [0,1,0,0,0,1|2,0,0]=4 257 B17R2.50010 CCOC(=O)C1=NNC(=O)c2ccccc21 Amb19654310 [0,1,0,0,0,1|2,0,0]=4 258 B17R2.138581 CCCCn1c(=O)oc(=O)c2ccccc21 Amb2796142 [0,1,0,0,0,1|1,0,1]=4 259 B17R2.138581 CCO\C=C1/C(=O)NC(=O)c2ccccc21 Amb33031100 [0,1,0,0,0,1|2,0,0]=4 260 B17R2.138581 CCO\C=C1/C(=O)OC(=O)c2ccccc21 Amb24119223 [0,1,0,0,0,1|1,0,0]=3 261 B17R2.138581 CCO\C=C1\C(=O)OC(=O)c2ccccc21 Amb1104749 [0,1,0,0,0,1|1,0,0]=3 262 B17R2.345886 CCCOc1ccc(C=O)c2ccccc12 Amb17734058 [0,1,0,0,0,1|2,0,0]=4 263 B17R2.12128 CCCCNC1=CC(=O)Oc2ccccc21 Amb19545953 [0,1,0,0,0,1|1,0,1]=4 264 B17R2.50020 CCOC(=O)C1=CC(=O)Nc2ccccc21 Amb21995281 [0,1,0,0,0,1|2,0,0]=4 265 B17R2.50020 CCOC(=O)C1=NC(=O)Nc2ccccc21 Amb23401155 [0,1,0,0,0,1|2,0,0]=4 266 B17R2.339149 CCCCC1=CC(=O)Oc2cc(O)ccc21 Amb19517155 [0,1,0,0,0,1|1,0,1]=4 267 B17R2.1050843 CCCC(=O)n1cc(C=O)c2ccccc21 Amb18225325 [0,2,0,0,0,0|2,0,0]=4 268 B15R2.66 CCCc1ccc(-c2ccccc2)o1 Amb28398533 [0,0,1,1,0,0|1,0,1]=4 269 B15R2.66 CCCc1csc(-c2ccccc2)n1 Amb28072792 [0,0,1,1,0,0|1,1,0]=4 270 B15R2.66 CCCc1noc(-c2ccccc2)n1 Amb25129777 [0,0,1,1,0,0|2,0,0]=4 271 B15R2.66 NCCc1coc(-c2ccccc2)c1 Amb18821590 [0,0,1,1,0,0|2,0,0]=4 272 B15R2.66 NCCc1coc(-c2ccccc2)n1 Amb6252734 [0,0,1,1,0,0|2,0,0]=4 273 B15R2.1259 O=C(CC1=CCCC1)c2ccccn2 Amb27653835 [0,0,1,1,0,0|2,0,0]=4 274 B15R2.1259 O=C(CC1=CCCC1)c2ccncc2 Amb27248734 [0,0,1,1,0,0|2,0,0]=4 275 B15R2.1259 O=C(OC1C=CCC1)c2ccccc2 Amb27812222 [0,0,1,1,0,0|0,0,2]=4 276 B15R2.1259 O=C(OC1CCCS1)c2ccccc2 Amb25068923 [0,0,1,1,0,0|1,0,1]=4 277 B15R2.1259 O=C(\C=C1/CCCO1)c2ccccc2 Amb2698448 [0,0,1,1,0,0|2,0,0]=4 278 B15R2.1259 O=C(\C=C1\CCCO1)c2ccccc2 Amb25823730 [0,0,1,1,0,0|2,0,0]=4 279 B15R2.2226 O=C(C1=CCCCC1)c2ccccc2 Amb19075776 [0,0,1,1,0,0|1,0,1]=4 280 B15R2.2226 O=C(C1=CNCCC1)c2ccccc2 Amb2371800 [0,0,1,1,0,0|2,0,0]=4 281 B15R2.2226 O=C(C1=COCCC1)c2ccccc2 Amb27182823 [0,0,1,1,0,0|2,0,0]=4 282 B15R2.4382 CCCC1=NNC(=O)c2ccccc21 Amb22480117 [0,0,1,1,0,0|2,0,0]=4 283 B15R2.4382 CCCN1C=NC(=O)c2ccccc21 Amb22752706 [0,0,1,1,0,0|2,0,0]=4 284 B15R2.4382 CCCc1ccc(N)c2ccccc12 Amb23537837 [0,0,1,1,0,0|2,0,0]=4 285 B15R2.4382 CCOC1=CNC(=O)c2ccccc21 Amb27963531 [0,0,1,1,0,0|2,0,0]=4 286 B15R2.21 O=CC1=C(c2ccccc2)CCCC1 Amb27957735 [0,0,1,1,0,0|1,0,1]=4 287 B15R2.72 CNCc1ncoc1-c2ccccc2 Amb27409878 [0,0,1,1,0,0|2,0,0]=4 288 B15R2.72 CSCc1ncoc1-c2ccccc2 Amb27183407 [0,0,1,1,0,0|2,0,0]=4 289 B15R2.94 CC1CNC(c2ccccc2)=NC1=O Amb27386656 [0,0,1,1,0,0|2,0,0]=4 290 B15R2.24 CCC1CNc2c(C(=O)O)cccc21 Amb32658248 [0,0,1,1,0,0|1,0,1]=4 291 B15R2.24 CCn1ccc2c(C(=O)O)cccc21 Amb6760860 [0,0,1,1,0,0|1,0,0]=3 292 B15R2.24 CCn1cnc2c(C(=O)O)cccc21 Amb26020193 [0,0,1,1,0,0|2,0,0]=4 293 B15R2.886 CCCC1=CC(=O)c2ccccc2N1 Amb19046468 [0,0,1,1,0,0|2,0,0]=4 294 B15R2.886 CCCC1=Cc2ccccc2C(=O)O1 Amb28195300 [0,0,1,1,0,0|0,0,0]=2 295 B15R2.886 CCCC1=Nc2ccccc2C(=O)N1 Amb20036216 [0,0,1,1,0,0|2,0,0]=4 296 B15R2.886 CCCC1=Nc2ccccc2C(=O)O1 Amb21912814 [0,0,1,1,0,0|1,0,0]=3 297 B15R2.886 CCCc1cc(O)c2ccccc2n1 Amb9134494 [0,0,1,1,0,0|2,0,0]=4 298 B15R2.886 CCCc1cc2ccccc2c(Cl)n1 Amb27442044 [0,0,1,1,0,0|2,0,0]=4 299 B15R2.886 CCCc1nc(O)c2ccccc2n1 Amb18649928 [0,0,1,1,0,0|2,0,0]=4 300 B15R2.886 CCOC1=Cc2ccccc2C(=O)N1 Amb27827793 [0,0,1,1,0,0|2,0,0]=4 301 B15R2.886 CCOC1=Nc2ccccc2C(=O)O1 Amb21927635 [0,0,1,1,0,0|2,0,0]=4 302 B15R2.886 CCSc1cc(O)c2ccccc2c1 Amb28122351 [0,0,1,1,0,0|2,0,0]=4 303 B15R2.886 COCc1cc(O)c2ccccc2c1 Amb27612819 [0,0,1,1,0,0|2,0,0]=4 304 B15R2.886 O=C1NC(CCO)=Cc2ccccc21 Amb27872166 [0,0,1,1,0,0|2,0,0]=4 305 B15R2.886 O=C1OC(CCO)=Cc2ccccc21 Amb27651846 [0,0,1,1,0,0|1,0,0]=3 306 B15R2.1221 O=C(O)c1ccccc1C2=NCCN2 Amb28137877 [0,0,1,1,0,0|2,0,0]=4 307 B15R2.1221 O=C(O)c1ccccc1C2CCCC2 Amb26847803 [0,0,1,1,0,0|0,0,2]=4 308 B15R2.1221 O=C(O)c1ccccc1C2CCCO2 Amb23598819 [0,0,1,1,0,0|1,0,1]=4 309 B15R2.1221 O=C(O)c1ccccc1N2CCCC2 Amb33140905 [0,0,1,1,0,0|1,0,1]=4 310 B15R2.1221 O=C(O)c1ccccc1N2CCCC2 Amb839178 [0,0,1,1,0,0|1,0,1]=4 311 B15R2.1221 O=C(O)c1ccccc1[C@@H]2CCCN2 Amb30987981 [0,0,1,1,0,0|1,0,1]=4 312 B15R2.1221 O=C([O-])c1ccccc1C2=NCCC2 Amb31308641 [0,0,1,1,0,0|1,0,1]=4 313 B15R2.13611 CC1CCNc2c(C(=O)O)cccc21 Amb21943638 [0,0,1,1,0,0|1,0,1]=4 314 B15R2.13611 Cc1cccc2c(C(=O)O)cccc12 Amb18649282 [0,0,1,1,0,0|0,0,2]=4 315 B15R2.16319 O=C(O)c1ccccc1C#CC2CC2 Amb26653068 [0,0,1,1,0,0|0,0,2]=4 316 B15R2.16319 O=C(O)c1ccccc1OCC2CC2 Amb6718119 [0,0,1,1,0,0|1,0,1]=4 317 B15R2.16320 O=C(O)c1ccccc1CN2CCC2 Amb28042589 [0,0,1,1,0,0|1,0,1]=4 318 B15R2.16320 O=C(O)c1ccccc1OC2CCC2 Amb18987377 [0,0,1,1,0,0|1,0,1]=4 319 B15R2.69020 O=C(O)c1cccc2c1CCCCC2 Amb18819321 [0,0,1,1,0,0|0,0,2]=4 320 B15R2.69020 O=C(O)c1cccc2c1NCCCC2 Amb28184080 [0,0,1,1,0,0|1,0,1]=4 321 B15R2.2189 Cc1ccc(-c2ccccc2C=O)o1 Amb836620 [0,0,1,1,0,0|0,0,2]=4 322 B15R2.2220 CCCc1ccc2ccccc2c1N Amb28121094 [0,0,1,1,0,0|2,0,0]=4 323 B15R2.2220 CCCc1cnc2ccccc2c1O Amb27183962 [0,0,1,1,0,0|2,0,0]=4 324 B15R2.2220 CCCc1ncc2ccccc2c1F Amb28326226 [0,0,1,1,0,0|2,0,0]=4 325 B15R2.2220 CCOc1ccc2ccccc2c1O Amb17200242 [0,0,1,1,0,0|2,0,0]=4 326 B15R2.2220 NCCc1ccc2ccccc2c1O Amb18191126 [0,0,1,1,0,0|2,0,0]=4 327 B15R2.4943 O=Cc1ccccc1C2(O)CCCN2 Amb28042476 [0,0,1,1,0,0|1,0,1]=4 328 B15R2.4943 O=Cc1ccccc1[C@]2(O)CCCN2 Amb28124867 [0,0,1,1,0,0|1,0,1]=4 329 B15R2.9978 CCCN1C(=N)c2ccccc2C1=O Amb27864344 [0,0,1,1,0,0|2,0,0]=4 330 B15R2.9978 CCCN1C(=O)c2ccccc2C1=O Amb6856449 [0,0,1,1,0,0|1,0,1]=4 331 B15R2.9978 CCCN1C(=O)c2ccccc2C1O Amb1789719 [0,0,1,1,0,0|1,0,1]=4 332 B15R2.19973 CCC1=CC(=O)c2ccccc2C1=O Amb27391227 [0,0,1,1,0,0|0,0,2]=4 333 B15R2.20951 CCn1cc(I)c2c(C=O)cccc21 Amb29847216 [0,0,1,1,0,0|2,0,0]=4 334 B15R2.4404 CCOC1=C2NC(=O)C=C2C=CC=C1 Amb27797214 [0,0,1,1,0,0|2,0,0]=4 335 B15R3.173 O=C1c2ccccc2C3=NCCN13 Amb3992949 [1,0,0,1,0,0|2,0,0]=4 336 B15R3.173 O=C1c2ccccc2C3CCCN13 Amb28143803 [1,0,0,1,0,0|1,0,1]=4 337 B15R3.14759 O=C1CC2CCCc3cccc1c32 Amb22059329 [1,0,0,1,0,0|1,0,1]=4 338 B15R3.14759 O=C1Oc2cccc3cccc1c23 Amb842545 [1,0,0,1,0,0|0,0,2]=4 339 B15R3.16460 CC1CC2CC(=O)c3cccc1c32 Amb27412668 [1,0,0,1,0,0|1,0,1]=4 340 B15R3.78338 O=C1CC2(CCC2)c3ccccc31 Amb28122381 [1,0,0,1,0,0|1,0,1]=4 341 B17R3.35227 O=C1C2=C(CCCC2)Nc3ccccc31 Amb19088951 [0,0,0,1,0,1|1,0,1]=4 342 B17R3.35227 O=C1c2ccccc2N=C3CCCCN13 Amb19757029 [0,0,0,1,0,1|1,0,1]=4 343 B17R3.35227 O=C1c2ccccc2N=C3NCCCN13 Amb19524711 [0,0,0,1,0,1|2,0,0]=4 344 B17R3.54615 O=C1NC2=C(CCCC2)c3ccccc31 Amb22520217 [0,0,0,1,0,1|1,0,1]=4 345 B17R3.57474 O=C1OC(C2CCC2)=Nc3ncccc31 Amb35744846 [0,0,0,1,0,1|1,0,1]=4 346 B17R3.57475 O=C1NC(NC2CC2)=Cc3ccccc31 Amb19039006 [0,0,0,1,0,1|2,0,0]=4 347 B17R3.31564 CC1CN=C2c3ccccc3NC(=O)N21 Amb24102375 [0,0,0,1,0,1|2,0,0]=4 348 B17R3.1109591 O=C1OC2(CCCNC2)c3ccccc31 Amb22395727 [0,1,0,1,0,0|0,0,2]=4 349 B17R3.1109591 O=C1OC2(CCCNC2)c3ccccc31 Amb22756629 [0,1,0,1,0,0|0,0,2]=4 350 B17R3.1109591 O=C1OC2(CCNCC2)c3ccccc31 Amb13883017 [0,1,0,1,0,0|0,0,2]=4 351 B17R3.1109591 O=C1OC2(CCNCC2)c3ccccc31 Amb13888627 [0,1,0,1,0,0|0,0,2]=4 352 B17R3.18880 O=C1CN2C(=O)CCCc3cccc1c32 Amb33718791 [0,1,0,1,0,0|2,0,0]=4 353 B13R1.670 CCC\C=C\c1oncc1C(=O)O Amb33373332 [0,0,1,0,1,0|2,0,0]=4 354 B13R2.1028 OCC\C=C1\Cc2ccccc21 Amb27833650 [1,0,0,0,1,0|1,0,1]=4 355 B13R2.2956 CCOC1C(=O)c2ccccc21 Amb28253679 [1,0,0,0,1,0|1,0,1]=4 356 B15R1.83 CCCCCOC(=O)Cc1ccccc1 Amb4005871 [0,0,1,0,0,1|0,0,2]=4 357 B15R1.1188 CCCCOc1ccccc1CC(=O)O Amb2235653 [0,0,1,0,0,1|1,0,1]=4 358 B15R1.5925 CCCCC(=O)Oc1ccccc1C=O Amb17129214 [0,0,1,0,0,1|0,0,2]=4 359 B15R2.352 CCCCc1ccc2ccccc2c1 Amb9787702 [1,0,0,0,0,1|1,0,1]=4 360 B15R2.352 CCCCc1ccc2ccccc2n1 Amb4012109 [1,0,0,0,0,1|1,0,1]=4 361 B15R2.352 CCCOc1ccc2ccccc2c1 Amb4011084 [1,0,0,0,0,1|2,0,0]=4 362 B15R2.352 CCCOc1ccc2ccccc2n1 Amb20171237 [1,0,0,0,0,1|2,0,0]=4 363 B15R2.4392 CCCC1=CC(=O)Oc2ccccc21 Amb22482594 [1,0,0,0,0,1|1,0,0]=3 364 B15R2.4392 CCCC1OC(=O)Nc2ccccc21 Amb28040965 [1,0,0,0,0,1|0,0,1]=3 365 B15R2.4392 CCCc1nc(Br)nc2ccccc12 Amb20618712 [1,0,0,0,0,1|2,0,0]=4 366 B15R2.4392 CCCc1nc(C)cc2ccccc12 Amb27665973 [1,0,0,0,0,1|2,0,0]=4 367 B15R2.4392 CCCc1nc(N)nc2ccccc12 Amb20618713 [1,0,0,0,0,1|2,0,0]=4 368 B15R2.4392 CCNC1=CC(=O)Oc2ccccc21 Amb21948595 [1,0,0,0,0,1|2,0,0]=4 369 B15R2.4392 CCOC1=CC(=O)Nc2ccccc21 Amb23533732 [1,0,0,0,0,1|2,0,0]=4 370 B15R2.4392 CCOC1=CC(=O)Oc2ccccc21 Amb18511489 [1,0,0,0,0,1|2,0,0]=4 371 B15R2.4392 CCOC1=CC(=O)Sc2ccccc21 Amb25699268 [1,0,0,0,0,1|2,0,0]=4 372 B15R2.4392 CNCC1=CC(=O)Nc2ccccc21 Amb19904243 [1,0,0,0,0,1|2,0,0]=4 373 B15R2.4392 CSCC1OC(=O)Nc2ccccc21 Amb28120087 [1,0,0,0,0,1|1,0,1]=4 374 B15R2.4392 NCCC1=CC(=O)Nc2ccccc21 Amb18560584 [1,0,0,0,0,1|2,0,0]=4 375 B15R2.4392 NCCC1=CC(=O)Oc2ccccc21 Amb18560586 [1,0,0,0,0,1|2,0,0]=4