0 B11R1.172 CC(=N)NCCc1ccoc1 Amb29872195 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.172 CC(=N)NCCn1ccnc1 Amb27836096 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.172 CC(=O)CCCc1ccco1 Amb17232099 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.172 CC(=O)CCCc1cccs1 Amb17232678 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.172 CC(=O)CCCc1ccoc1 Amb28080133 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.172 CC(=O)CCCc1ccsc1 Amb27492050 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.172 CC(=O)CCCc1nccs1 Amb27492117 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.172 CC(=O)CCCn1cccn1 Amb9659583 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.172 CC(=O)CCCn1cncn1 Amb9659591 [0,0,0,0,0,0|2,0,1]=3 9 B11R1.172 CC(=O)CCCn1cnnn1 Amb32729850 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.172 CC(=O)CCNc1ccsc1 Amb32675826 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.172 CC(=O)CCSc1ccco1 Amb27672627 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.172 CC(=O)CSCc1ccco1 Amb6357577 [0,0,0,0,0,0|4,0,0]=4 13 B11R1.172 CC(=O)CSCc1ccoc1 Amb27672517 [0,0,0,0,0,0|4,0,0]=4 14 B11R1.172 CC(=O)NCCC1=CNCN1 Amb28129817 [0,0,0,0,0,0|0,0,2]=2 15 B11R1.172 CC(=O)NCCC1C=CCC1 Amb27489522 [0,0,0,0,0,0|2,0,2]=4 16 B11R1.172 CC(=O)NCCC1CC=CC1 Amb33098887 [0,0,0,0,0,0|2,0,2]=4 17 B11R1.172 CC(=O)NCCC1CCNC1 Amb24477543 [0,0,0,0,0,0|1,0,3]=4 18 B11R1.172 CC(=O)NCCC1CN=CN1 Amb27410972 [0,0,0,0,0,0|0,0,4]=4 19 B11R1.172 CC(=O)NCCN1CC=CC1 Amb27809868 [0,0,0,0,0,0|3,0,1]=4 20 B11R1.172 CC(=O)NCCc1ccco1 Amb8336373 [0,0,0,0,0,0|2,0,0]=2 21 B11R1.172 CC(=O)NCCc1ccoc1 Amb22643451 [0,0,0,0,0,0|2,0,0]=2 22 B11R1.172 CC(=O)NCCn1cccc1 Amb2409180 [0,0,0,0,0,0|3,0,0]=3 23 B11R1.172 CC(=O)NCCn1cncn1 Amb28065613 [0,0,0,0,0,0|1,0,1]=2 24 B11R1.172 CC(=O)NCCn1cnnc1 Amb28144698 [0,0,0,0,0,0|3,0,1]=4 25 B11R1.172 CC(=O)NOCc1ccon1 Amb28205727 [0,0,0,0,0,0|3,0,0]=3 26 B11R1.172 CC(=O)NOCc1nccs1 Amb28139406 [0,0,0,0,0,0|3,0,0]=3 27 B11R1.172 CC(=O)N\C=C\c1ccco1 Amb28143852 [0,0,0,0,0,0|2,0,2]=4 28 B11R1.172 CC(=O)N\N=C\c1ccco1 Amb6883602 [0,0,0,0,0,0|3,0,1]=4 29 B11R1.172 CC(=O)N\N=C\c1cccs1 Amb3359974 [0,0,0,0,0,0|3,0,1]=4 30 B11R1.172 CC(=O)N\N=C\c1ccoc1 Amb4357515 [0,0,0,0,0,0|3,0,1]=4 31 B11R1.172 CC(=O)N\N=C\c1ccsc1 Amb17860763 [0,0,0,0,0,0|3,0,1]=4 32 B11R1.172 CC(=O)N\N=C\c1cocn1 Amb27973809 [0,0,0,0,0,0|2,0,1]=3 33 B11R1.172 CC(=O)N\N=C\c1cscn1 Amb27840042 [0,0,0,0,0,0|2,0,1]=3 34 B11R1.172 CC(=O)N\N=C\c1csnn1 Amb28208028 [0,0,0,0,0,0|3,0,1]=4 35 B11R1.172 CC(=O)OCCc1ccco1 Amb27272289 [0,0,0,0,0,0|3,0,0]=3 36 B11R1.172 CC(=O)OCCc1cccs1 Amb24756179 [0,0,0,0,0,0|3,0,0]=3 37 B11R1.172 CC(=O)OCCc1cscn1 Amb27989529 [0,0,0,0,0,0|2,0,0]=2 38 B11R1.172 CC(=O)OCSc1cccs1 Amb27270358 [0,0,0,0,0,0|4,0,0]=4 39 B11R1.172 CC(=O)OCSc1nccs1 Amb27270360 [0,0,0,0,0,0|4,0,0]=4 40 B11R1.172 CC(C)=CCCc1ccco1 Amb35709490 [0,0,0,0,0,0|4,0,0]=4 41 B11R1.172 CC(C)=CCCc1cccs1 Amb30023890 [0,0,0,0,0,0|4,0,0]=4 42 B11R1.172 CC(C)=CCCc1ccsc1 Amb30023889 [0,0,0,0,0,0|4,0,0]=4 43 B11R1.172 CC(C)=CCCc1ccsn1 Amb30023891 [0,0,0,0,0,0|4,0,0]=4 44 B11R1.172 CC(C)=CCCc1cncs1 Amb35623551 [0,0,0,0,0,0|3,0,1]=4 45 B11R1.172 CC(C)=CCCc1cscn1 Amb35582945 [0,0,0,0,0,0|3,0,0]=3 46 B11R1.172 CC(C)=CCCn1cccn1 Amb35623593 [0,0,0,0,0,0|4,0,0]=4 47 B11R1.172 CC(C)=CCCn1cncn1 Amb35582833 [0,0,0,0,0,0|3,0,1]=4 48 B11R1.172 CC(C)NCCc1ccco1 Amb9249972 [0,0,0,0,0,0|3,0,1]=4 49 B11R1.172 CC(C)NCCc1cccs1 Amb6697811 [0,0,0,0,0,0|3,0,1]=4 50 B11R1.172 CC(C)NCCc1ccoc1 Amb27269849 [0,0,0,0,0,0|3,0,1]=4 51 B11R1.172 CC(C)NCCc1ccsc1 Amb8853773 [0,0,0,0,0,0|3,0,1]=4 52 B11R1.172 CC(C)NCCc1cscn1 Amb27269477 [0,0,0,0,0,0|2,0,1]=3 53 B11R1.172 CC(C)NCCc1nccs1 Amb17315488 [0,0,0,0,0,0|3,0,1]=4 54 B11R1.172 CC(C)NCCc1ncon1 Amb27492500 [0,0,0,0,0,0|3,0,1]=4 55 B11R1.172 CC(C)NCCn1cccn1 Amb19024717 [0,0,0,0,0,0|3,0,1]=4 56 B11R1.172 CC(C)NCCn1cncn1 Amb18312330 [0,0,0,0,0,0|2,0,2]=4 57 B11R1.172 CN(C)NCCc1cccs1 Amb27492254 [0,0,0,0,0,0|4,0,0]=4 58 B11R1.172 CN(C)NCCc1ccsc1 Amb27492288 [0,0,0,0,0,0|4,0,0]=4 59 B11R1.172 CN(C)NCCn1cccn1 Amb27492269 [0,0,0,0,0,0|4,0,0]=4 60 B11R1.172 CN(C)NCCn1cncn1 Amb27492638 [0,0,0,0,0,0|3,0,1]=4 61 B11R1.172 N=C(N)NCCc1cccs1 Amb18801398 [0,0,0,0,0,0|4,0,0]=4 62 B11R1.172 N=C(N)NCCc1ccoc1 Amb35605283 [0,0,0,0,0,0|4,0,0]=4 63 B11R1.172 N=C(N)NCCc1nccs1 Amb27234503 [0,0,0,0,0,0|4,0,0]=4 64 B11R1.172 N=C(N)NCCc1ncno1 Amb27470139 [0,0,0,0,0,0|3,0,1]=4 65 B11R1.172 NC(=O)CCCc1cccs1 Amb8858354 [0,0,0,0,0,0|4,0,0]=4 66 B11R1.172 NC(=O)NCCc1cccs1 Amb1089616 [0,0,0,0,0,0|3,0,0]=3 67 B11R1.172 NC(=O)NCCc1ccoc1 Amb35627268 [0,0,0,0,0,0|3,0,0]=3 68 B11R1.172 NC(=O)NCCn1ccnn1 Amb28284816 [0,0,0,0,0,0|4,0,0]=4 69 B11R1.172 NC(=O)N\N=C\c1cscn1 Amb28423042 [0,0,0,0,0,0|3,0,1]=4 70 B11R1.172 NC(=S)NCCc1cccs1 Amb487230 [0,0,0,0,0,0|3,1,0]=4 71 B11R1.172 NC(=S)NCCc1ccoc1 Amb29872350 [0,0,0,0,0,0|3,1,0]=4 72 B11R1.172 NC(=S)NCCn1cncn1 Amb27433509 [0,0,0,0,0,0|2,1,1]=4 73 B11R1.172 O=C(Cl)NCCc1ccco1 Amb35625501 [0,0,0,0,0,0|3,0,0]=3 74 B11R1.172 O=C(Cl)NCCc1cccs1 Amb35625498 [0,0,0,0,0,0|3,0,0]=3 75 B11R1.172 O=C(Cl)NCCc1ccoc1 Amb35605280 [0,0,0,0,0,0|3,0,0]=3 76 B11R1.172 O=C(Cl)NCCc1ccsc1 Amb35625682 [0,0,0,0,0,0|3,0,0]=3 77 B11R1.172 O=C(Cl)NCCc1cscn1 Amb35625522 [0,0,0,0,0,0|2,0,0]=2 78 B11R1.172 O=C(Cl)NCCc1nccs1 Amb35625796 [0,0,0,0,0,0|3,0,0]=3 79 B11R1.172 O=C(Cl)NCCn1cccn1 Amb35625791 [0,0,0,0,0,0|3,0,0]=3 80 B11R1.172 O=C(Cl)NCCn1ccnc1 Amb35625499 [0,0,0,0,0,0|3,0,1]=4 81 B11R1.172 O=C(Cl)NCCn1ccnn1 Amb35633256 [0,0,0,0,0,0|4,0,0]=4 82 B11R1.172 O=C(Cl)NCCn1cncn1 Amb35625621 [0,0,0,0,0,0|2,0,1]=3 83 B11R1.172 O=C(Cl)NCCn1ncnn1 Amb35633376 [0,0,0,0,0,0|3,0,1]=4 84 B11R1.172 O=C(Cl)OCCc1cccs1 Amb27269565 [0,0,0,0,0,0|4,0,0]=4 85 B11R1.172 O=C(Cl)OCCc1ccoc1 Amb33297070 [0,0,0,0,0,0|4,0,0]=4 86 B11R1.172 O=C(Cl)OCCc1ccsc1 Amb27989801 [0,0,0,0,0,0|4,0,0]=4 87 B11R1.172 O=C(Cl)OCCn1cncn1 Amb33297273 [0,0,0,0,0,0|3,0,1]=4 88 B11R1.172 O=C(O)CCCc1ccco1 Amb18125675 [0,0,0,0,0,0|4,0,0]=4 89 B11R1.172 O=C(O)CCCc1cccs1 Amb1152340 [0,0,0,0,0,0|4,0,0]=4 90 B11R1.172 O=C(O)CCCc1ccoc1 Amb25385034 [0,0,0,0,0,0|4,0,0]=4 91 B11R1.172 O=C(O)CCCc1ccon1 Amb24062140 [0,0,0,0,0,0|4,0,0]=4 92 B11R1.172 O=C(O)CCCc1ccsc1 Amb22000608 [0,0,0,0,0,0|4,0,0]=4 93 B11R1.172 O=C(O)CCCc1ccsn1 Amb18198614 [0,0,0,0,0,0|4,0,0]=4 94 B11R1.172 O=C(O)CCCc1cnco1 Amb18200538 [0,0,0,0,0,0|3,0,1]=4 95 B11R1.172 O=C(O)CCCc1cncs1 Amb18198607 [0,0,0,0,0,0|3,0,1]=4 96 B11R1.172 O=C(O)CCCc1cocn1 Amb18200521 [0,0,0,0,0,0|3,0,0]=3 97 B11R1.172 O=C(O)CCCc1cscn1 Amb18062607 [0,0,0,0,0,0|3,0,0]=3 98 B11R1.172 O=C(O)CCCc1csnn1 Amb26650426 [0,0,0,0,0,0|4,0,0]=4 99 B11R1.172 O=C(O)CCCc1ncco1 Amb18559420 [0,0,0,0,0,0|4,0,0]=4 100 B11R1.172 O=C(O)CCCc1nccs1 Amb18198612 [0,0,0,0,0,0|4,0,0]=4 101 B11R1.172 O=C(O)CCCc1ncns1 Amb18198313 [0,0,0,0,0,0|3,0,1]=4 102 B11R1.172 O=C(O)CCCc1ncon1 Amb18200268 [0,0,0,0,0,0|4,0,0]=4 103 B11R1.172 O=C(O)CCCc1ncsn1 Amb18198314 [0,0,0,0,0,0|4,0,0]=4 104 B11R1.172 O=C(O)CCCn1cccn1 Amb6251039 [0,0,0,0,0,0|4,0,0]=4 105 B11R1.172 O=C(O)CCCn1cncn1 Amb1102653 [0,0,0,0,0,0|3,0,1]=4 106 B11R1.172 O=C(O)CCCn1cncn1 Amb22586679 [0,0,0,0,0,0|3,0,1]=4 107 B11R1.172 O=C(O)CNCc1cscn1 Amb9325650 [0,0,0,0,0,0|4,0,0]=4 108 B11R1.172 O=C(O)CSCc1cscn1 Amb33528427 [0,0,0,0,0,0|4,0,0]=4 109 B11R1.172 O=C(O)CSCc1cscn1 Amb33550256 [0,0,0,0,0,0|4,0,0]=4 110 B11R1.172 O=C([O-])CCCc1cccs1 Amb33513078 [0,0,0,0,0,0|4,0,0]=4 111 B11R1.172 O=C([O-])CCCc1nccs1 Amb28652969 [0,0,0,0,0,0|4,0,0]=4 112 B10R1.21 CCNCCc1cccs1 Amb6697855 [1,0,0,0,0,0|2,0,1]=4 113 B10R1.21 CCNCCc1ccsn1 Amb27175160 [1,0,0,0,0,0|2,0,1]=4 114 B10R1.21 CCNCCc1cscn1 Amb27646765 [1,0,0,0,0,0|1,0,1]=3 115 B10R1.21 CCNCCc1nccs1 Amb17315490 [1,0,0,0,0,0|2,0,1]=4 116 B10R1.21 CCNCCc1ncno1 Amb18308028 [1,0,0,0,0,0|1,0,2]=4 117 B10R1.21 CCNCCc1ncon1 Amb27272636 [1,0,0,0,0,0|2,0,1]=4 118 B10R1.21 CCNCCn1cccn1 Amb10607558 [1,0,0,0,0,0|2,0,1]=4 119 B10R1.21 CCNCCn1cncn1 Amb18312372 [1,0,0,0,0,0|1,0,2]=4 120 B10R1.21 CONCCc1cccs1 Amb27265782 [1,0,0,0,0,0|3,0,0]=4 121 B10R1.21 CONCCc1ccsc1 Amb28461492 [1,0,0,0,0,0|3,0,0]=4 122 B10R1.21 O=C=NCCc1cscn1 Amb24538017 [1,0,0,0,0,0|1,0,2]=4 123 B10R1.21 O=CCCCc1ccco1 Amb28050259 [1,0,0,0,0,0|3,0,0]=4 124 B10R1.21 O=CCCCc1cccs1 Amb17089166 [1,0,0,0,0,0|3,0,0]=4 125 B10R1.21 O=CCCCc1ccoc1 Amb25684248 [1,0,0,0,0,0|3,0,0]=4 126 B10R1.21 O=CCCCc1ccon1 Amb33199364 [1,0,0,0,0,0|3,0,0]=4 127 B10R1.21 O=CCCCc1ccsc1 Amb24415638 [1,0,0,0,0,0|3,0,0]=4 128 B10R1.21 O=CCCCc1cnco1 Amb24478357 [1,0,0,0,0,0|2,0,1]=4 129 B10R1.21 O=CCCCc1cncs1 Amb25073856 [1,0,0,0,0,0|2,0,1]=4 130 B10R1.21 O=CCCCc1cscn1 Amb18644753 [1,0,0,0,0,0|2,0,0]=3 131 B10R1.21 O=CCCCc1csnn1 Amb24613618 [1,0,0,0,0,0|3,0,0]=4 132 B10R1.21 O=CCCCc1nccs1 Amb26345288 [1,0,0,0,0,0|3,0,0]=4 133 B10R1.21 O=CCCCn1cccn1 Amb32726913 [1,0,0,0,0,0|3,0,0]=4 134 B10R1.21 O=CCCCn1cncn1 Amb32725183 [1,0,0,0,0,0|2,0,1]=4 135 B10R1.21 O=CNCCc1cccs1 Amb28141381 [1,0,0,0,0,0|2,0,0]=3 136 B10R1.21 O=CNCCc1ccoc1 Amb29872332 [1,0,0,0,0,0|2,0,0]=3 137 B10R1.21 O=CNCCn1cccn1 Amb28437295 [1,0,0,0,0,0|2,0,0]=3 138 B12R1.54 CC(=O)CCC(Cl)c1ccco1 Amb17401089 [0,1,0,0,0,0|3,0,0]=4 139 B12R1.54 CC(=O)CCC(Cl)c1cccs1 Amb17402623 [0,1,0,0,0,0|3,0,0]=4 140 B12R1.54 CC(=O)NCC(=O)c1cccs1 Amb17335632 [0,1,0,0,0,0|2,0,1]=4 141 B12R1.54 CC(=O)NCC(C)c1nccs1 Amb27588771 [0,1,0,0,0,0|2,0,0]=3 142 B12R1.54 CC(=O)NCC(O)c1ccco1 Amb24356097 [0,1,0,0,0,0|2,0,0]=3 143 B12R1.54 CC(=O)NCC(O)c1cccs1 Amb17335755 [0,1,0,0,0,0|2,0,0]=3 144 B12R1.54 CC(CNC(=O)Cl)c1nccs1 Amb35633530 [0,1,0,0,0,0|3,0,0]=4 145 B12R1.54 NC(CCC(=O)O)c1cscn1 Amb33319119 [0,1,0,0,0,0|3,0,0]=4 146 B12R1.54 O=C(O)CCC(O)c1cscn1 Amb18821626 [0,1,0,0,0,0|3,0,0]=4 147 B12R1.105 CC(=N)NCCc1ccc(Br)s1 Amb28141081 [0,1,0,0,0,0|3,0,0]=4 148 B12R1.105 CC(=N)NCCc1ccc(C)o1 Amb29857355 [0,1,0,0,0,0|3,0,0]=4 149 B12R1.105 CC(=N)NCCc1csc(C)n1 Amb28244307 [0,1,0,0,0,0|2,0,0]=3 150 B12R1.105 CC(=N)NCCc1nc(C)no1 Amb27244116 [0,1,0,0,0,0|2,0,1]=4 151 B12R1.105 CC(=N)NCCc1ncn(C)n1 Amb28454251 [0,1,0,0,0,0|2,0,0]=3 152 B12R1.105 CC(=N)NCCc1noc(C)n1 Amb27250877 [0,1,0,0,0,0|3,0,0]=4 153 B12R1.105 CC(=N)NCCc1noc(O)n1 Amb27442633 [0,1,0,0,0,0|3,0,0]=4 154 B12R1.105 CC(=O)NCCC1=NNC(=O)N1 Amb28436025 [0,1,0,0,0,0|1,0,1]=3 155 B12R1.105 CC(=O)NCCc1ccc(C)s1 Amb27224603 [0,1,0,0,0,0|2,0,0]=3 156 B12R1.105 CC(=O)NCCc1ccc(I)s1 Amb20642134 [0,1,0,0,0,0|2,0,0]=3 157 B12R1.105 CC(=O)NCCc1cn(C)nn1 Amb28251171 [0,1,0,0,0,0|1,0,0]=2 158 B12R1.105 CC(=O)NCCc1csc(C)n1 Amb4179549 [0,1,0,0,0,0|1,0,0]=2 159 B12R1.105 CC(=O)NCCc1nc(C)cs1 Amb24594735 [0,1,0,0,0,0|2,0,0]=3 160 B12R1.105 CC(=O)NCCc1nc(C)no1 Amb22584262 [0,1,0,0,0,0|1,0,1]=3 161 B12R1.105 CC(=O)NCCc1nnc(C)o1 Amb25236392 [0,1,0,0,0,0|2,0,1]=4 162 B12R1.105 CC(=O)NCCc1nnc(C)s1 Amb27806374 [0,1,0,0,0,0|2,0,1]=4 163 B12R1.105 CC(=O)NCCn1cnc(N)n1 Amb27864471 [0,1,0,0,0,0|1,0,1]=3 164 B12R1.105 CC(=O)NOCc1cc(C)on1 Amb27484368 [0,1,0,0,0,0|3,0,0]=4 165 B12R1.105 CC(=O)NOCc1ccc(Br)s1 Amb27661997 [0,1,0,0,0,0|3,0,0]=4 166 B12R1.105 CC(=O)NOCc1ccc(Cl)s1 Amb28188106 [0,1,0,0,0,0|3,0,0]=4 167 B12R1.105 CC(=O)NOCc1nc(C)cs1 Amb28207972 [0,1,0,0,0,0|3,0,0]=4 168 B12R1.105 CC(=O)NOCc1ncc(Cl)s1 Amb27661921 [0,1,0,0,0,0|3,0,0]=4 169 B12R1.105 CC(=O)N\N=C\c1ccn(C)c1 Amb27609485 [0,1,0,0,0,0|2,0,1]=4 170 B12R1.105 CC(=O)N\N=C\c1cn(C)cn1 Amb28291736 [0,1,0,0,0,0|1,0,1]=3 171 B12R1.105 CC(=O)OCCn1cc(Br)cn1 Amb13884502 [0,1,0,0,0,0|3,0,0]=4 172 B12R1.105 CC(C)=CCCc1cn(C)cn1 Amb35582909 [0,1,0,0,0,0|2,0,0]=3 173 B12R1.105 CC(C)=CCCc1cn(C)nn1 Amb35582915 [0,1,0,0,0,0|3,0,0]=4 174 B12R1.105 CC(C)=CCCc1csc(C)n1 Amb35617879 [0,1,0,0,0,0|3,0,0]=4 175 B12R1.105 CC(C)NCCc1ccn(C)c1 Amb18862693 [0,1,0,0,0,0|2,0,1]=4 176 B12R1.105 Cc1ccc(CCNC(=O)Cl)o1 Amb35625681 [0,1,0,0,0,0|3,0,0]=4 177 B12R1.105 Cc1cnn(CCNC(=O)Cl)c1 Amb35633191 [0,1,0,0,0,0|3,0,0]=4 178 B12R1.105 Cc1cnn(CCNC(N)=O)c1 Amb27666542 [0,1,0,0,0,0|3,0,0]=4 179 B12R1.105 Cc1csc(CCNC(=O)Cl)n1 Amb35625753 [0,1,0,0,0,0|3,0,0]=4 180 B12R1.105 Cc1csc(CCNC(N)=O)n1 Amb19515584 [0,1,0,0,0,0|3,0,0]=4 181 B12R1.105 Cc1nc(CCCC(=O)O)co1 Amb18826157 [0,1,0,0,0,0|3,0,0]=4 182 B12R1.105 Cc1nc(CCCC(=O)O)cs1 Amb18062603 [0,1,0,0,0,0|3,0,0]=4 183 B12R1.105 Cc1nc(CCNC(=N)N)cs1 Amb27758973 [0,1,0,0,0,0|3,0,0]=4 184 B12R1.105 Cc1nc(CCNC(N)=O)cs1 Amb27178596 [0,1,0,0,0,0|2,0,0]=3 185 B12R1.105 Cn1cc(CCNC(=O)Cl)cn1 Amb35625766 [0,1,0,0,0,0|3,0,0]=4 186 B12R1.105 Cn1cc(CONC(N)=O)nn1 Amb27660430 [0,1,0,0,0,0|3,0,0]=4 187 B12R1.105 Cn1ccc(CCCC(=O)O)c1 Amb18563803 [0,1,0,0,0,0|3,0,0]=4 188 B12R1.105 Cn1ccc(CCNC(=O)Cl)n1 Amb35633547 [0,1,0,0,0,0|3,0,0]=4 189 B12R1.105 Cn1ccc(CCNC(N)=O)n1 Amb28244404 [0,1,0,0,0,0|3,0,0]=4 190 B12R1.105 Cn1cnc(CCCC(=O)O)c1 Amb33473864 [0,1,0,0,0,0|2,0,0]=3 191 B12R1.105 Cn1cnc(CCNC(=N)N)c1 Amb27165792 [0,1,0,0,0,0|2,0,0]=3 192 B12R1.105 Cn1cnc(CCNC(=O)Cl)c1 Amb35633302 [0,1,0,0,0,0|1,0,0]=2 193 B12R1.105 Cn1cnc(CCNC(=O)Cl)n1 Amb35633342 [0,1,0,0,0,0|2,0,0]=3 194 B12R1.105 Cn1cnc(CCNC(N)=O)c1 Amb28074936 [0,1,0,0,0,0|1,0,0]=2 195 B12R1.105 Cn1cnc(CCNC(N)=O)n1 Amb28206518 [0,1,0,0,0,0|2,0,0]=3 196 B12R1.105 Cn1cnc(CCNC(N)=S)c1 Amb28043269 [0,1,0,0,0,0|1,1,0]=3 197 B12R1.105 Cn1cnc(COCC(=O)O)c1 Amb32946388 [0,1,0,0,0,0|3,0,0]=4 198 B12R1.105 Cn1cnc(\C=N\NC(N)=O)c1 Amb28349972 [0,1,0,0,0,0|2,0,1]=4 199 B12R1.105 NC(=O)NCCc1ncc(Br)s1 Amb27660291 [0,1,0,0,0,0|3,0,0]=4 200 B12R1.105 NC(=O)NCCn1cc(Cl)cn1 Amb28198733 [0,1,0,0,0,0|3,0,0]=4 201 B12R1.105 NC(=O)NCCn1cc(N)cn1 Amb28285975 [0,1,0,0,0,0|3,0,0]=4 202 B12R1.105 Nc1nc(CCCC(=O)O)cs1 Amb20667817 [0,1,0,0,0,0|3,0,0]=4 203 B12R1.105 O=C(Cl)NCCc1ccc(Br)s1 Amb35625857 [0,1,0,0,0,0|3,0,0]=4 204 B12R1.105 O=C(Cl)NCCc1ccc(Cl)s1 Amb35625883 [0,1,0,0,0,0|3,0,0]=4 205 B12R1.105 O=C(Cl)NCCn1cc(Br)cn1 Amb35633455 [0,1,0,0,0,0|3,0,0]=4 206 B12R1.105 O=C(Cl)NCCn1cc(Cl)cn1 Amb35633466 [0,1,0,0,0,0|3,0,0]=4 207 B12R1.105 O=C(O)CCCc1csc(Br)n1 Amb33335864 [0,1,0,0,0,0|3,0,0]=4 208 B12R1.130 CC(=N)NCCc1cncn1C Amb35709674 [0,1,0,0,0,0|1,0,2]=4 209 B12R1.130 CC(=O)NCCc1cncn1C Amb27810088 [0,1,0,0,0,0|0,0,2]=3 210 B12R1.130 CC(=O)NCCc1scnc1C Amb27974316 [0,1,0,0,0,0|1,0,1]=3 211 B12R1.130 CC(=O)NOCc1sccc1Cl Amb28188058 [0,1,0,0,0,0|3,0,0]=4 212 B12R1.130 CC(=O)OCCc1scnc1C Amb6356286 [0,1,0,0,0,0|2,0,1]=4 213 B12R1.130 Cc1ncsc1CCNC(=O)Cl Amb35633403 [0,1,0,0,0,0|2,0,1]=4 214 B12R1.130 Cn1ccnc1CCNC(=O)Cl Amb35625822 [0,1,0,0,0,0|3,0,0]=4 215 B12R1.130 Cn1cncc1CCNC(=O)Cl Amb35633261 [0,1,0,0,0,0|1,0,2]=4 216 B12R1.130 Cn1cncc1CCNC(N)=O Amb30018379 [0,1,0,0,0,0|1,0,2]=4 217 B12R1.130 Cn1ncnc1CCNC(N)=O Amb27399274 [0,1,0,0,0,0|2,0,1]=4 218 B12R1.130 NC(=O)NCCN1C=CNC1=O Amb27587434 [0,1,0,0,0,0|3,0,0]=4 219 B12R1.260 CC(=N)NC(C)Cc1cccs1 Amb27217761 [0,1,0,0,0,0|3,0,0]=4 220 B12R1.260 CC(=O)NC(=O)Cc1ccsc1 Amb26926558 [0,1,0,0,0,0|2,0,1]=4 221 B12R1.260 CC(=O)NC(C)Cc1ccco1 Amb13798432 [0,1,0,0,0,0|2,0,0]=3 222 B12R1.260 CC(=O)NC(C)Cc1ccoc1 Amb22710655 [0,1,0,0,0,0|2,0,0]=3 223 B12R1.260 CC(Cc1ccco1)NC(=O)Cl Amb35625727 [0,1,0,0,0,0|3,0,0]=4 224 B12R1.260 CC(Cc1cccs1)NC(=O)Cl Amb35625684 [0,1,0,0,0,0|3,0,0]=4 225 B12R1.260 CC(Cc1cccs1)NC(N)=O Amb27605497 [0,1,0,0,0,0|3,0,0]=4 226 B12R1.260 CC(Cc1ccoc1)NC(N)=O Amb27207636 [0,1,0,0,0,0|3,0,0]=4 227 B12R1.260 CC(Cc1ccsc1)NC(=O)Cl Amb35625808 [0,1,0,0,0,0|3,0,0]=4 228 B12R1.260 CC(Cn1cccn1)NC(=O)Cl Amb35625674 [0,1,0,0,0,0|3,0,0]=4 229 B12R1.264 CC(CCc1cscn1)C(=O)O Amb33319257 [0,1,0,0,0,0|3,0,0]=4 230 B12R1.477 C#CC(=O)NCCc1ccoc1 Amb29872136 [0,1,0,0,0,0|2,0,1]=4 231 B12R1.477 C#CC(=O)NCCc1ccon1 Amb27632651 [0,1,0,0,0,0|2,0,1]=4 232 B12R1.477 C#CC(=O)NCCc1ccsc1 Amb27163733 [0,1,0,0,0,0|2,0,1]=4 233 B12R1.477 C#CC(=O)NCCc1cscn1 Amb28045481 [0,1,0,0,0,0|1,0,1]=3 234 B12R1.477 CCC(=O)CCCn1cccn1 Amb30623434 [0,1,0,0,0,0|3,0,0]=4 235 B12R1.477 CNC(=N)NCCc1ccoc1 Amb35605284 [0,1,0,0,0,0|3,0,0]=4 236 B12R1.477 CNC(=N)NCCc1ccsc1 Amb19068414 [0,1,0,0,0,0|3,0,0]=4 237 B12R1.477 CNC(=N)NCCc1cscn1 Amb27631843 [0,1,0,0,0,0|2,0,0]=3 238 B12R1.477 CNC(=N)NCCn1cccn1 Amb18798856 [0,1,0,0,0,0|3,0,0]=4 239 B12R1.477 CNC(=O)NCCc1ccoc1 Amb35627270 [0,1,0,0,0,0|2,0,0]=3 240 B12R1.477 CNC(=O)NCCc1nccs1 Amb27840457 [0,1,0,0,0,0|2,0,0]=3 241 B12R1.477 CNC(=O)NCCn1cccn1 Amb22584240 [0,1,0,0,0,0|2,0,0]=3 242 B12R1.477 CNC(=O)N\N=C\c1cocn1 Amb27762322 [0,1,0,0,0,0|2,0,1]=4 243 B12R1.477 CNC(=S)NCCc1ccco1 Amb27600456 [0,1,0,0,0,0|2,1,0]=4 244 B12R1.477 CNC(=S)NCCc1ccoc1 Amb35606327 [0,1,0,0,0,0|2,1,0]=4 245 B12R1.477 CNC(=S)NCCc1cscn1 Amb26942731 [0,1,0,0,0,0|1,1,0]=3 246 B12R1.477 CNC(=S)NCCn1cccn1 Amb27883606 [0,1,0,0,0,0|2,1,0]=4 247 B12R1.477 COC(=O)CCCc1cccs1 Amb448996 [0,1,0,0,0,0|3,0,0]=4 248 B12R1.477 COC(=O)CCCc1nccs1 Amb32652213 [0,1,0,0,0,0|3,0,0]=4 249 B12R1.477 COC(=O)N\N=C\c1cscn1 Amb28282412 [0,1,0,0,0,0|2,0,1]=4 250 B12R1.477 NCC(=O)NCCc1cccs1 Amb5783057 [0,1,0,0,0,0|2,0,0]=3 251 B12R1.477 NNC(=O)NCCc1cccs1 Amb8854087 [0,1,0,0,0,0|3,0,0]=4 252 B12R1.477 NNC(=O)NCCc1ccoc1 Amb35605246 [0,1,0,0,0,0|3,0,0]=4 253 B12R1.477 NNC(=O)NCCc1ccsc1 Amb19057958 [0,1,0,0,0,0|3,0,0]=4 254 B12R1.477 NNC(=O)NCCc1cscn1 Amb27250097 [0,1,0,0,0,0|2,0,0]=3 255 B12R1.477 NNC(=O)NCCc1ncno1 Amb27878296 [0,1,0,0,0,0|2,0,1]=4 256 B12R1.477 O=C(CBr)NCCc1cccs1 Amb17333422 [0,1,0,0,0,0|2,0,0]=3 257 B12R1.477 O=C(CBr)NCCc1nccs1 Amb17324928 [0,1,0,0,0,0|2,0,0]=3 258 B12R1.477 O=C(CBr)NCCn1cccc1 Amb17330852 [0,1,0,0,0,0|3,0,0]=4 259 B12R1.477 O=C(CCl)NCCc1ccco1 Amb17329057 [0,1,0,0,0,0|2,0,0]=3 260 B12R1.477 O=C(CCl)NCCc1cccs1 Amb1106069 [0,1,0,0,0,0|2,0,0]=3 261 B12R1.477 O=C(CCl)NCCc1ccsc1 Amb19514455 [0,1,0,0,0,0|2,0,0]=3 262 B12R1.477 O=C(CCl)NCCn1cccc1 Amb2613489 [0,1,0,0,0,0|3,0,0]=4 263 B12R1.890 CS(=O)(=O)OCCc1cscn1 Amb27260269 [0,1,0,0,0,0|3,0,0]=4 264 B12R2.6 O=C1CC(c2ccco2)CN1 Amb17399916 [0,0,0,1,0,0|2,0,0]=3 265 B12R2.6 O=C1CC(c2ccco2)NN1 Amb35701076 [0,0,0,1,0,0|3,0,0]=4 266 B12R2.6 O=C1CC(c2cccs2)CN1 Amb13783611 [0,0,0,1,0,0|2,0,0]=3 267 B12R2.6 O=C1CC(c2cccs2)NN1 Amb29862362 [0,0,0,1,0,0|3,0,0]=4 268 B12R2.6 O=C1CC(c2ccns2)CN1 Amb35717310 [0,0,0,1,0,0|2,0,1]=4 269 B12R2.6 O=C1CC(c2ccoc2)CN1 Amb22304822 [0,0,0,1,0,0|2,0,0]=3 270 B12R2.6 O=C1CC(c2ccoc2)NN1 Amb35701149 [0,0,0,1,0,0|3,0,0]=4 271 B12R2.6 O=C1CC(c2ccon2)CN1 Amb33199345 [0,0,0,1,0,0|2,0,0]=3 272 B12R2.6 O=C1CC(c2ccsc2)CN1 Amb26003777 [0,0,0,1,0,0|2,0,0]=3 273 B12R2.6 O=C1CC(c2ccsc2)NN1 Amb35701217 [0,0,0,1,0,0|3,0,0]=4 274 B12R2.6 O=C1CC(c2cnco2)CN1 Amb33319910 [0,0,0,1,0,0|1,0,1]=3 275 B12R2.6 O=C1CC(c2cncs2)CN1 Amb26889230 [0,0,0,1,0,0|1,0,1]=3 276 B12R2.6 O=C1CC(c2cncs2)NN1 Amb35686069 [0,0,0,1,0,0|2,0,1]=4 277 B12R2.6 O=C1CC(c2cscn2)CN1 Amb27470478 [0,0,0,1,0,0|1,0,0]=2 278 B12R2.6 O=C1CC(c2cscn2)NN1 Amb35686078 [0,0,0,1,0,0|2,0,0]=3 279 B12R2.6 O=C1CC(c2csnn2)CN1 Amb27176657 [0,0,0,1,0,0|2,0,0]=3 280 B12R2.6 O=C1CC(c2csnn2)NN1 Amb35686077 [0,0,0,1,0,0|3,0,0]=4 281 B12R2.6 O=C1CC(c2nccs2)CN1 Amb26923327 [0,0,0,1,0,0|2,0,0]=3 282 B12R2.6 O=C1CC(c2nccs2)NN1 Amb35694037 [0,0,0,1,0,0|3,0,0]=4 283 B12R2.6 O=C1CCC(c2ccco2)C1 Amb17138428 [0,0,0,1,0,0|3,0,0]=4 284 B12R2.6 O=C1CCC(c2cccs2)C1 Amb17138616 [0,0,0,1,0,0|3,0,0]=4 285 B12R2.6 O=C1CCC(c2ccoc2)C1 Amb27601264 [0,0,0,1,0,0|3,0,0]=4 286 B12R2.6 O=C1CCC(c2ccsc2)C1 Amb28411369 [0,0,0,1,0,0|3,0,0]=4 287 B12R2.6 O=C1CCC(c2cncs2)C1 Amb35612877 [0,0,0,1,0,0|2,0,1]=4 288 B12R2.6 O=C1CCC(n2cncn2)C1 Amb27751140 [0,0,0,1,0,0|2,0,1]=4 289 B12R2.6 O=C1CC[C@@H](c2cccs2)C1 Amb27861302 [0,0,0,1,0,0|3,0,0]=4 290 B12R2.6 O=C1COC(c2cscn2)C1 Amb35734195 [0,0,0,1,0,0|3,0,0]=4 291 B12R2.6 O=C1NC(c2cscn2)CO1 Amb28388375 [0,0,0,1,0,0|3,0,0]=4 292 B12R2.6 O=C1NCC(c2ccco2)N1 Amb24684091 [0,0,0,1,0,0|3,0,0]=4 293 B12R2.6 O=C1NCC(c2ccco2)O1 Amb17232113 [0,0,0,1,0,0|3,0,0]=4 294 B12R2.6 O=C1NCC(c2cccs2)N1 Amb26361954 [0,0,0,1,0,0|3,0,0]=4 295 B12R2.6 O=C1NCC(c2cccs2)O1 Amb17232709 [0,0,0,1,0,0|3,0,0]=4 296 B12R2.6 O=C1NCC(c2ccoc2)O1 Amb33360342 [0,0,0,1,0,0|3,0,0]=4 297 B12R2.6 O=C1NCC(c2ccon2)O1 Amb33199338 [0,0,0,1,0,0|3,0,0]=4 298 B12R2.6 O=C1NCC(c2ccsc2)O1 Amb24509768 [0,0,0,1,0,0|3,0,0]=4 299 B12R2.6 O=C1NCC(c2cnco2)O1 Amb33319568 [0,0,0,1,0,0|2,0,1]=4 300 B12R2.6 O=C1NCC(c2cncs2)O1 Amb33268054 [0,0,0,1,0,0|2,0,1]=4 301 B12R2.6 O=C1NCC(c2cscn2)O1 Amb33226694 [0,0,0,1,0,0|2,0,0]=3 302 B12R2.6 O=C1NCC(c2csnn2)O1 Amb33321069 [0,0,0,1,0,0|3,0,0]=4 303 B12R2.6 O=C1NCC(c2nccs2)O1 Amb33197363 [0,0,0,1,0,0|3,0,0]=4 304 B12R2.6 O=C1NC[C@@H](c2ccoc2)N1 Amb27783447 [0,0,0,1,0,0|3,0,0]=4 305 B12R2.6 O=C1NC[C@H](c2cccs2)N1 Amb27869564 [0,0,0,1,0,0|3,0,0]=4 306 B12R2.6 O=C1NC[C@H](c2ccoc2)N1 Amb28293023 [0,0,0,1,0,0|3,0,0]=4 307 B12R2.6 O=C1NC[C@H](c2ccsc2)N1 Amb27234908 [0,0,0,1,0,0|3,0,0]=4 308 B12R2.114 CC1=Nc2sccc2CCN1 Amb27454800 [0,0,0,1,0,0|3,0,0]=4 309 B12R2.114 O=C1CCCc2occc2C1 Amb33035815 [0,0,0,1,0,0|3,0,0]=4 310 B12R2.114 O=C1CCCc2sccc2C1 Amb24553612 [0,0,0,1,0,0|3,0,0]=4 311 B12R2.114 O=C1Cc2ccoc2CCN1 Amb27816404 [0,0,0,1,0,0|2,0,0]=3 312 B12R2.136 O=C1CC(Cc2cccs2)N1 Amb27752060 [0,0,0,1,0,0|2,0,0]=3 313 B12R2.136 O=C1CC(Cc2nccs2)N1 Amb27254292 [0,0,0,1,0,0|2,0,0]=3 314 B12R2.1354 CC(=O)C1CC1c2ccco2 Amb9212607 [0,0,0,1,0,0|3,0,0]=4 315 B12R2.1354 CC(=O)C1CC1c2cccs2 Amb4084923 [0,0,0,1,0,0|3,0,0]=4 316 B12R2.1354 CC(=O)C1CC1c2ccsc2 Amb9212633 [0,0,0,1,0,0|3,0,0]=4 317 B12R2.1354 CC(=O)C1CC1c2nccs2 Amb28367120 [0,0,0,1,0,0|3,0,0]=4 318 B12R2.1354 CC(=O)[C@@H]1C[C@@H]1c2ccco2 Amb27854640 [0,0,0,1,0,0|3,0,0]=4 319 B12R2.1354 CC(=O)[C@@H]1C[C@@H]1c2cccs2 Amb34916214 [0,0,0,1,0,0|3,0,0]=4 320 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2ccco2 Amb24741210 [0,0,0,1,0,0|3,0,0]=4 321 B12R2.1354 CC(=O)[C@@H]1C[C@H]1c2cccs2 Amb27259667 [0,0,0,1,0,0|3,0,0]=4 322 B12R2.1354 CC(=O)[C@H]1C[C@@H]1c2cccs2 Amb25286323 [0,0,0,1,0,0|3,0,0]=4 323 B12R2.1354 O=C(O)C1CC1c2cocn2 Amb35750793 [0,0,0,1,0,0|3,0,0]=4 324 B12R2.1354 O=C(O)C1CC1c2cscn2 Amb27250152 [0,0,0,1,0,0|3,0,0]=4 325 B12R2.1354 O=C(O)[C@@H]1C[C@H]1c2cscn2 Amb33319110 [0,0,0,1,0,0|3,0,0]=4 326 B10R1.66 C=C(C)CCn1cncn1 Amb27800397 [0,0,0,0,1,0|2,0,1]=4 327 B10R1.66 CC(=N)NCc1ccco1 Amb27412338 [0,0,0,0,1,0|3,0,0]=4 328 B10R1.66 CC(=N)NCc1cccs1 Amb27260850 [0,0,0,0,1,0|3,0,0]=4 329 B10R1.66 CC(=N)NCc1ccoc1 Amb27806675 [0,0,0,0,1,0|3,0,0]=4 330 B10R1.66 CC(=N)NCc1ccsc1 Amb27796745 [0,0,0,0,1,0|3,0,0]=4 331 B10R1.66 CC(=O)CCC1=CCCO1 Amb27424851 [0,0,0,0,1,0|2,0,1]=4 332 B10R1.66 CC(=O)CCC1=NCCO1 Amb28146011 [0,0,0,0,1,0|2,0,1]=4 333 B10R1.66 CC(=O)CCc1ccco1 Amb1107538 [0,0,0,0,1,0|2,0,0]=3 334 B10R1.66 CC(=O)CCc1cccs1 Amb5740049 [0,0,0,0,1,0|2,0,0]=3 335 B10R1.66 CC(=O)CCc1ccoc1 Amb27425020 [0,0,0,0,1,0|2,0,0]=3 336 B10R1.66 CC(=O)CCc1ccon1 Amb18832105 [0,0,0,0,1,0|2,0,0]=3 337 B10R1.66 CC(=O)CCc1ccsc1 Amb33532312 [0,0,0,0,1,0|2,0,0]=3 338 B10R1.66 CC(=O)CCc1ccsn1 Amb27190352 [0,0,0,0,1,0|2,0,0]=3 339 B10R1.66 CC(=O)CCc1cnco1 Amb18832107 [0,0,0,0,1,0|1,0,1]=3 340 B10R1.66 CC(=O)CCc1cncs1 Amb27469825 [0,0,0,0,1,0|1,0,1]=3 341 B10R1.66 CC(=O)CCc1cnsc1 Amb27855513 [0,0,0,0,1,0|2,0,1]=4 342 B10R1.66 CC(=O)CCc1cscn1 Amb25133415 [0,0,0,0,1,0|1,0,0]=2 343 B10R1.66 CC(=O)CCc1csnn1 Amb24537997 [0,0,0,0,1,0|2,0,0]=3 344 B10R1.66 CC(=O)CCc1ncco1 Amb18832106 [0,0,0,0,1,0|2,0,0]=3 345 B10R1.66 CC(=O)CCc1nccs1 Amb17334384 [0,0,0,0,1,0|2,0,0]=3 346 B10R1.66 CC(=O)CCc1nnco1 Amb27169119 [0,0,0,0,1,0|2,0,1]=4 347 B10R1.66 CC(=O)CCn1cccn1 Amb594009 [0,0,0,0,1,0|2,0,0]=3 348 B10R1.66 CC(=O)CCn1cncn1 Amb7777315 [0,0,0,0,1,0|1,0,1]=3 349 B10R1.66 CC(=O)CCn1cnnn1 Amb26981337 [0,0,0,0,1,0|2,0,1]=4 350 B10R1.66 CC(=O)CSc1cccs1 Amb2724458 [0,0,0,0,1,0|3,0,0]=4 351 B10R1.66 CC(=O)CSc1ccsc1 Amb27164562 [0,0,0,0,1,0|3,0,0]=4 352 B10R1.66 CC(=O)CSc1ncns1 Amb27865258 [0,0,0,0,1,0|2,0,1]=4 353 B10R1.66 CC(=O)NCc1ccco1 Amb1209246 [0,0,0,0,1,0|2,0,0]=3 354 B10R1.66 CC(=O)NCc1cccs1 Amb1218150 [0,0,0,0,1,0|2,0,0]=3 355 B10R1.66 CC(=O)NCc1ccno1 Amb27868350 [0,0,0,0,1,0|2,0,1]=4 356 B10R1.66 CC(=O)NCc1ccns1 Amb35720522 [0,0,0,0,1,0|2,0,1]=4 357 B10R1.66 CC(=O)NCc1ccoc1 Amb27785725 [0,0,0,0,1,0|2,0,0]=3 358 B10R1.66 CC(=O)NCc1ccon1 Amb28049485 [0,0,0,0,1,0|2,0,0]=3 359 B10R1.66 CC(=O)NCc1ccsc1 Amb10945323 [0,0,0,0,1,0|2,0,0]=3 360 B10R1.66 CC(=O)NCc1cncs1 Amb27955071 [0,0,0,0,1,0|1,0,1]=3 361 B10R1.66 CC(=O)NCc1csnn1 Amb27845622 [0,0,0,0,1,0|2,0,0]=3 362 B10R1.66 CC(=O)OCc1ccco1 Amb4334378 [0,0,0,0,1,0|3,0,0]=4 363 B10R1.66 CC(=O)OCc1ccoc1 Amb6358129 [0,0,0,0,1,0|3,0,0]=4 364 B10R1.66 CC(=O)OCc1cnon1 Amb24482118 [0,0,0,0,1,0|2,0,1]=4 365 B10R1.66 CC(=O)OCc1csnn1 Amb27197874 [0,0,0,0,1,0|3,0,0]=4 366 B10R1.66 CC(=O)OCc1nccs1 Amb26079763 [0,0,0,0,1,0|3,0,0]=4 367 B10R1.66 CC(=O)\C=C\c1cscn1 Amb32954498 [0,0,0,0,1,0|1,0,2]=4 368 B10R1.66 CC(C)NCc1cscn1 Amb17518452 [0,0,0,0,1,0|2,0,1]=4 369 B10R1.66 CC(N)CCc1cscn1 Amb26020624 [0,0,0,0,1,0|2,0,1]=4 370 B10R1.66 CC(O)CCc1cscn1 Amb24701386 [0,0,0,0,1,0|1,0,2]=4 371 B10R1.66 C[C@@H](N)CCc1cscn1 Amb33318884 [0,0,0,0,1,0|2,0,1]=4 372 B10R1.66 C[C@@H](O)CCc1cscn1 Amb33418180 [0,0,0,0,1,0|1,0,2]=4 373 B10R1.66 C[C@H](N)CCc1cscn1 Amb33318883 [0,0,0,0,1,0|2,0,1]=4 374 B10R1.66 C[C@H](O)CCc1cscn1 Amb33418181 [0,0,0,0,1,0|1,0,2]=4 375 B10R1.66 N=C(N)CCc1cscn1 Amb27193382 [0,0,0,0,1,0|3,0,0]=4 376 B10R1.66 N=C(N)NCc1cscn1 Amb27646854 [0,0,0,0,1,0|3,0,0]=4 377 B10R1.66 NC(=O)CCc1cncs1 Amb27881697 [0,0,0,0,1,0|2,0,1]=4 378 B10R1.66 NC(=O)CCn1cccn1 Amb9173659 [0,0,0,0,1,0|3,0,0]=4 379 B10R1.66 NC(=O)NCc1ccco1 Amb1105644 [0,0,0,0,1,0|3,0,0]=4 380 B10R1.66 NC(=O)NCc1cccs1 Amb1106145 [0,0,0,0,1,0|3,0,0]=4 381 B10R1.66 NC(=O)NCc1cncs1 Amb27954834 [0,0,0,0,1,0|2,0,1]=4 382 B10R1.66 NC(=O)NCc1cocn1 Amb28045654 [0,0,0,0,1,0|2,0,0]=3 383 B10R1.66 NC(=O)NCc1cscn1 Amb27394421 [0,0,0,0,1,0|2,0,0]=3 384 B10R1.66 NC(=O)NCc1nccs1 Amb18791803 [0,0,0,0,1,0|3,0,0]=4 385 B10R1.66 NC(=S)NCc1cocn1 Amb27786588 [0,0,0,0,1,0|2,1,0]=4 386 B10R1.66 NC(=S)NCc1cscn1 Amb28365991 [0,0,0,0,1,0|2,1,0]=4 387 B10R1.66 O=C(Cl)CCc1cccs1 Amb23440823 [0,0,0,0,1,0|3,0,0]=4 388 B10R1.66 O=C(Cl)CCc1ccoc1 Amb27636729 [0,0,0,0,1,0|3,0,0]=4 389 B10R1.66 O=C(Cl)CCc1ccsc1 Amb28041943 [0,0,0,0,1,0|3,0,0]=4 390 B10R1.66 O=C(Cl)CCc1cncs1 Amb28135731 [0,0,0,0,1,0|2,0,1]=4 391 B10R1.66 O=C(Cl)CCc1nccs1 Amb27192253 [0,0,0,0,1,0|3,0,0]=4 392 B10R1.66 O=C(Cl)NCc1ccco1 Amb35636921 [0,0,0,0,1,0|3,0,0]=4 393 B10R1.66 O=C(Cl)NCc1cccs1 Amb30028127 [0,0,0,0,1,0|3,0,0]=4 394 B10R1.66 O=C(Cl)NCc1ccoc1 Amb35625730 [0,0,0,0,1,0|3,0,0]=4 395 B10R1.66 O=C(Cl)NCc1ccsc1 Amb35625666 [0,0,0,0,1,0|3,0,0]=4 396 B10R1.66 O=C(Cl)OCc1cscn1 Amb27228378 [0,0,0,0,1,0|3,0,0]=4 397 B10R1.66 O=C(O)CCc1ccco1 Amb1153073 [0,0,0,0,1,0|3,0,0]=4 398 B10R1.66 O=C(O)CCc1cccs1 Amb1154297 [0,0,0,0,1,0|3,0,0]=4 399 B10R1.66 O=C(O)CCc1ccoc1 Amb18643489 [0,0,0,0,1,0|3,0,0]=4 400 B10R1.66 O=C(O)CCc1ccon1 Amb8009421 [0,0,0,0,1,0|3,0,0]=4 401 B10R1.66 O=C(O)CCc1ccsc1 Amb1153814 [0,0,0,0,1,0|3,0,0]=4 402 B10R1.66 O=C(O)CCc1ccsn1 Amb18830643 [0,0,0,0,1,0|3,0,0]=4 403 B10R1.66 O=C(O)CCc1cnco1 Amb22011672 [0,0,0,0,1,0|2,0,1]=4 404 B10R1.66 O=C(O)CCc1cncs1 Amb18830641 [0,0,0,0,1,0|2,0,1]=4 405 B10R1.66 O=C(O)CCc1cncs1 Amb32661213 [0,0,0,0,1,0|2,0,1]=4 406 B10R1.66 O=C(O)CCc1cnon1 Amb18202653 [0,0,0,0,1,0|2,0,1]=4 407 B10R1.66 O=C(O)CCc1cocn1 Amb17399866 [0,0,0,0,1,0|2,0,0]=3 408 B10R1.66 O=C(O)CCc1cscn1 Amb33528760 [0,0,0,0,1,0|2,0,0]=3 409 B10R1.66 O=C(O)CCc1csnn1 Amb27640978 [0,0,0,0,1,0|3,0,0]=4 410 B10R1.66 O=C(O)CCc1ncco1 Amb17399867 [0,0,0,0,1,0|3,0,0]=4 411 B10R1.66 O=C(O)CCc1nccs1 Amb33528763 [0,0,0,0,1,0|3,0,0]=4 412 B10R1.66 O=C(O)CCc1ncns1 Amb18830503 [0,0,0,0,1,0|2,0,1]=4 413 B10R1.66 O=C(O)CCc1ncon1 Amb23592186 [0,0,0,0,1,0|3,0,0]=4 414 B10R1.66 O=C(O)CCc1ncsn1 Amb18830498 [0,0,0,0,1,0|3,0,0]=4 415 B10R1.66 O=C(O)CCn1cccn1 Amb1159216 [0,0,0,0,1,0|3,0,0]=4 416 B10R1.66 O=C(O)CCn1cccn1 Amb22586761 [0,0,0,0,1,0|3,0,0]=4 417 B10R1.66 O=C(O)CCn1cncn1 Amb1041440 [0,0,0,0,1,0|2,0,1]=4 418 B10R1.66 O=C(O)COc1cscn1 Amb33417306 [0,0,0,0,1,0|3,0,0]=4 419 B10R1.66 O=C([O-])CCc1cccs1 Amb33512993 [0,0,0,0,1,0|3,0,0]=4 420 B10R1.66 O=[N+]([O-])CCc1cscn1 Amb26573131 [0,0,0,0,1,0|3,0,0]=4 421 B12R1.252 CC(=O)CCCc1ccccc1 Amb4358586 [0,0,0,0,0,1|3,0,0]=4 422 B12R1.252 CC(=O)CCCc1ccccn1 Amb1102603 [0,0,0,0,0,1|2,0,0]=3 423 B12R1.252 CC(=O)CCCc1cccnc1 Amb17232426 [0,0,0,0,0,1|2,0,0]=3 424 B12R1.252 CC(=O)NCCC1=CCCCC1 Amb8332956 [0,0,0,0,0,1|2,0,1]=4 425 B12R1.252 CC(=O)NCCC1=CCOCC1 Amb28291697 [0,0,0,0,0,1|2,0,1]=4 426 B12R1.252 CC(=O)NCCc1ccccc1 Amb2781514 [0,0,0,0,0,1|2,0,0]=3 427 B12R1.252 CC(=O)NCCc1cnccn1 Amb25277212 [0,0,0,0,0,1|0,0,1]=2 428 B12R1.252 CC(=O)NCSc1ccccc1 Amb27797274 [0,0,0,0,0,1|3,0,0]=4 429 B12R1.252 CC(=O)NNCc1ccccn1 Amb28366245 [0,0,0,0,0,1|2,0,0]=3 430 B12R1.252 CC(=O)N\N=C\c1ccccn1 Amb6878917 [0,0,0,0,0,1|2,0,1]=4 431 B12R1.252 CC(=O)OCCc1ccccc1 Amb6357159 [0,0,0,0,0,1|3,0,0]=4 432 B12R1.252 CC(=O)OCCc1ccccn1 Amb8391177 [0,0,0,0,0,1|2,0,0]=3 433 B12R1.252 CC(=S)NCCc1ccccc1 Amb27412033 [0,0,0,0,0,1|2,1,0]=4 434 B12R1.252 CC(C)=CCCc1cccnc1 Amb35582905 [0,0,0,0,0,1|3,0,0]=4 435 B12R1.252 CC(C)=CCCc1cnccn1 Amb35582906 [0,0,0,0,0,1|2,0,1]=4 436 B12R1.252 CC(C)=CCCc1cncnc1 Amb35582907 [0,0,0,0,0,1|2,0,1]=4 437 B12R1.252 CC(C)NCCc1ccccn1 Amb6694449 [0,0,0,0,0,1|2,0,1]=4 438 B12R1.252 CC(C)NCCc1cccnc1 Amb17400162 [0,0,0,0,0,1|2,0,1]=4 439 B12R1.252 CC(C)NCCc1ncccn1 Amb19028711 [0,0,0,0,0,1|2,0,1]=4 440 B12R1.252 N=C(N)NCCc1ccccn1 Amb18798342 [0,0,0,0,0,1|3,0,0]=4 441 B12R1.252 N=C(N)NCCc1cccnc1 Amb18798339 [0,0,0,0,0,1|3,0,0]=4 442 B12R1.252 N=C(N)NCCc1cccnc1 Amb33098544 [0,0,0,0,0,1|3,0,0]=4 443 B12R1.252 N=C(N)NCCc1cnccn1 Amb28146077 [0,0,0,0,0,1|2,0,1]=4 444 B12R1.252 NC(=O)NCCc1ccccc1 Amb1124980 [0,0,0,0,0,1|3,0,0]=4 445 B12R1.252 NC(=O)NCCc1ccccn1 Amb6274566 [0,0,0,0,0,1|2,0,0]=3 446 B12R1.252 NC(=O)NCCc1cccnc1 Amb19515015 [0,0,0,0,0,1|2,0,0]=3 447 B12R1.252 NC(=O)NCCc1cnccn1 Amb28045477 [0,0,0,0,0,1|1,0,1]=3 448 B12R1.252 NC(=O)NOCc1cccnc1 Amb27178645 [0,0,0,0,0,1|3,0,0]=4 449 B12R1.252 NC(=O)NOCc1ncccn1 Amb27178647 [0,0,0,0,0,1|3,0,0]=4 450 B12R1.252 NC(=S)NCCc1ccccn1 Amb7764625 [0,0,0,0,0,1|2,1,0]=4 451 B12R1.252 O=C(Cl)NCCc1ccccn1 Amb35637082 [0,0,0,0,0,1|2,0,0]=3 452 B12R1.252 O=C(Cl)NCCc1cccnc1 Amb35625524 [0,0,0,0,0,1|2,0,0]=3 453 B12R1.252 O=C(Cl)NCCc1ccncc1 Amb35625591 [0,0,0,0,0,1|2,0,1]=4 454 B12R1.252 O=C(Cl)OCCc1ccccn1 Amb33297001 [0,0,0,0,0,1|3,0,0]=4 455 B12R1.252 O=C(Cl)OCCc1cccnc1 Amb33297282 [0,0,0,0,0,1|3,0,0]=4 456 B12R1.252 O=C(Cl)OCCc1cnccn1 Amb33297047 [0,0,0,0,0,1|2,0,1]=4 457 B12R1.252 O=C(O)CCCc1ccccn1 Amb1099328 [0,0,0,0,0,1|3,0,0]=4 458 B12R1.252 O=C(O)CCCc1ccccn1 Amb19356883 [0,0,0,0,0,1|3,0,0]=4 459 B12R1.252 O=C(O)CCCc1cccnc1 Amb17232526 [0,0,0,0,0,1|3,0,0]=4 460 B12R1.252 O=C(O)CCCc1cccnc1 Amb33529414 [0,0,0,0,0,1|3,0,0]=4 461 B12R1.252 O=C(O)CCCc1cccnc1 Amb33541549 [0,0,0,0,0,1|3,0,0]=4 462 B12R1.252 O=C(O)CCCc1ccncn1 Amb33172094 [0,0,0,0,0,1|2,0,1]=4 463 B12R1.252 O=C(O)CCCc1cncnc1 Amb18827885 [0,0,0,0,0,1|2,0,1]=4 464 B12R1.252 O=C(O)CCCc1ncccn1 Amb18862661 [0,0,0,0,0,1|3,0,0]=4 465 B12R1.252 O=C(O)CCCc1ncncn1 Amb18862704 [0,0,0,0,0,1|2,0,1]=4 466 B12R1.255 CC(=O)CCCCc1ccsc1 Amb33448717 [0,0,0,0,0,1|3,0,0]=4 467 B12R1.255 CC(=O)CCCCn1cccn1 Amb9659582 [0,0,0,0,0,1|3,0,0]=4 468 B12R1.255 CC(=O)CCCCn1cncn1 Amb9659590 [0,0,0,0,0,1|2,0,1]=4 469 B12R1.255 CC(=O)NCCNc1nccs1 Amb9253775 [0,0,0,0,0,1|2,0,0]=3 470 B12R1.255 CC(=O)\C=C\CCc1ccsc1 Amb33320898 [0,0,0,0,0,1|3,0,0]=4 471 B12R1.255 CC(=O)\C=C\CCn1cccn1 Amb32727339 [0,0,0,0,0,1|3,0,0]=4 472 B12R1.255 CC(=O)\C=C\CCn1cncn1 Amb32726572 [0,0,0,0,0,1|2,0,1]=4 473 B12R1.255 O=C(O)CNCCc1cccs1 Amb19342003 [0,0,0,0,0,1|3,0,0]=4 474 B12R1.255 O=C(O)CNCCc1cccs1 Amb7764619 [0,0,0,0,0,1|3,0,0]=4 475 B12R1.255 O=C(O)CNCCc1nccs1 Amb17315482 [0,0,0,0,0,1|3,0,0]=4 476 B9R0.1 C=C(C=O)CCCC(C)=O Amb8392635 [1,0,1,0,0,0|2,0,0]=4 477 B9R0.1 C=C(C=O)CCOC(C)=O Amb18643822 [1,0,1,0,0,0|2,0,0]=4 478 B9R0.1 C=CC(=O)CCCC(C)=O Amb27409542 [1,0,1,0,0,0|2,0,0]=4 479 B9R0.1 CC(=O)CCCC(=N)NN Amb25146305 [1,0,1,0,0,0|2,0,0]=4 480 B9R0.2 C=CCCCCNC(C)=O Amb27436512 [1,0,1,0,0,0|1,0,1]=4 481 B9R0.2 C=CCNCCNC(C)=O Amb28187196 [1,0,1,0,0,0|2,0,0]=4 482 B9R0.2 C=CCSCCNC(C)=O Amb27663017 [1,0,1,0,0,0|2,0,0]=4 483 B9R0.2 C=COCCCNC(C)=O Amb28201189 [1,0,1,0,0,0|1,0,1]=4 484 B9R0.2 C=C\C=C/CCCC(C)=O Amb28126953 [1,0,1,0,0,0|2,0,0]=4 485 B9R0.2 C=C\C=C\CCCC(C)=O Amb25713959 [1,0,1,0,0,0|2,0,0]=4 486 B9R0.2 CC(=O)NCCCNC=O Amb28197455 [1,0,1,0,0,0|1,0,1]=4 487 B9R0.2 C\C=C\C=C\CNC(C)=O Amb27827731 [1,0,1,0,0,0|1,0,1]=4 488 B9R0.2 C\C=C\CCCNC(C)=O Amb24668710 [1,0,1,0,0,0|1,0,1]=4 489 B9R1.12 CCNCc1cscn1 Amb9173369 [2,0,0,0,0,0|1,0,1]=4 490 B9R1.12 CNCCc1ccco1 Amb17399803 [2,0,0,0,0,0|2,0,0]=4 491 B9R1.12 CNCCc1cccs1 Amb6712648 [2,0,0,0,0,0|2,0,0]=4 492 B9R1.12 CNCCc1ccoc1 Amb25682417 [2,0,0,0,0,0|2,0,0]=4 493 B9R1.12 CNCCc1ccon1 Amb25078186 [2,0,0,0,0,0|2,0,0]=4 494 B9R1.12 CNCCc1ccsc1 Amb8853652 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.12 CNCCc1cnco1 Amb33415561 [2,0,0,0,0,0|1,0,1]=4 496 B9R1.12 CNCCc1cncs1 Amb26877308 [2,0,0,0,0,0|1,0,1]=4 497 B9R1.12 CNCCc1cscn1 Amb8009872 [2,0,0,0,0,0|1,0,0]=3 498 B9R1.12 CNCCc1csnn1 Amb25055148 [2,0,0,0,0,0|2,0,0]=4 499 B9R1.12 CNCCc1ncco1 Amb18222315 [2,0,0,0,0,0|2,0,0]=4 500 B9R1.12 CNCCc1nccs1 Amb8009874 [2,0,0,0,0,0|2,0,0]=4 501 B9R1.12 CNCCc1ncon1 Amb18296413 [2,0,0,0,0,0|2,0,0]=4 502 B9R1.12 CNCCc1ncon1 Amb22587452 [2,0,0,0,0,0|2,0,0]=4 503 B9R1.12 CNCCn1cccn1 Amb18299424 [2,0,0,0,0,0|2,0,0]=4 504 B9R1.12 CNCCn1cccn1 Amb33801434 [2,0,0,0,0,0|2,0,0]=4 505 B9R1.12 CNCCn1cncn1 Amb18299418 [2,0,0,0,0,0|1,0,1]=4 506 B9R1.12 CNCCn1cncn1 Amb24271100 [2,0,0,0,0,0|1,0,1]=4 507 B9R1.12 COCCc1cscn1 Amb27809391 [2,0,0,0,0,0|2,0,0]=4 508 B9R1.12 CONCc1cocn1 Amb27202502 [2,0,0,0,0,0|2,0,0]=4 509 B9R1.12 CONCc1cscn1 Amb28192602 [2,0,0,0,0,0|2,0,0]=4 510 B9R1.12 O=CCCc1ccco1 Amb17081672 [2,0,0,0,0,0|2,0,0]=4 511 B9R1.12 O=CCCc1cccs1 Amb17081673 [2,0,0,0,0,0|2,0,0]=4 512 B9R1.12 O=CCCc1ccoc1 Amb8394152 [2,0,0,0,0,0|2,0,0]=4 513 B9R1.12 O=CCCc1ccsc1 Amb26961096 [2,0,0,0,0,0|2,0,0]=4 514 B9R1.12 O=CCCc1cnco1 Amb26986955 [2,0,0,0,0,0|1,0,1]=4 515 B9R1.12 O=CCCc1cncs1 Amb25705083 [2,0,0,0,0,0|1,0,1]=4 516 B9R1.12 O=CCCc1csnn1 Amb27877044 [2,0,0,0,0,0|2,0,0]=4 517 B9R1.12 O=CCCc1nccs1 Amb8010561 [2,0,0,0,0,0|2,0,0]=4 518 B9R1.12 O=CCCn1cccn1 Amb4303948 [2,0,0,0,0,0|2,0,0]=4 519 B9R1.12 O=CCCn1cncn1 Amb27837420 [2,0,0,0,0,0|1,0,1]=4 520 B9R1.12 O=CNCc1ccco1 Amb3319177 [2,0,0,0,0,0|2,0,0]=4 521 B9R1.12 O=CNCc1cccs1 Amb27774671 [2,0,0,0,0,0|2,0,0]=4 522 B9R1.12 O=CNCc1ccoc1 Amb28188531 [2,0,0,0,0,0|2,0,0]=4 523 B9R1.12 O=CNCc1ccon1 Amb27838478 [2,0,0,0,0,0|2,0,0]=4 524 B9R1.12 O=CNCc1cncs1 Amb27628845 [2,0,0,0,0,0|1,0,1]=4 525 B9R1.12 O=CNCc1csnn1 Amb27435717 [2,0,0,0,0,0|2,0,0]=4 526 B9R1.12 O=CNCc1nccs1 Amb25295210 [2,0,0,0,0,0|2,0,0]=4 527 B9R1.12 O=CNCc1ncon1 Amb27648619 [2,0,0,0,0,0|2,0,0]=4 528 B11R1.4 O=CNCCCn1cccn1 Amb27269642 [1,1,0,0,0,0|2,0,0]=4 529 B11R1.4 O=CNCCCn1cncn1 Amb27272510 [1,1,0,0,0,0|1,0,1]=4 530 B11R1.27 CCNCCc1ccn(C)c1 Amb18893414 [1,1,0,0,0,0|1,0,1]=4 531 B11R1.27 CCNCCc1csc(N)n1 Amb27986464 [1,1,0,0,0,0|1,0,1]=4 532 B11R1.27 CCNCCc1csc(O)n1 Amb28387040 [1,1,0,0,0,0|1,0,1]=4 533 B11R1.27 CNCCCc1cn(C)cn1 Amb27269513 [1,1,0,0,0,0|2,0,0]=4 534 B11R1.27 CONCCc1csc(C)n1 Amb27988833 [1,1,0,0,0,0|2,0,0]=4 535 B11R1.27 Cc1ccc(CCNC=O)o1 Amb29857354 [1,1,0,0,0,0|2,0,0]=4 536 B11R1.27 Cc1nc(CCCC=O)cs1 Amb26651478 [1,1,0,0,0,0|2,0,0]=4 537 B11R1.27 Cc1nc(CCNC=O)no1 Amb27780418 [1,1,0,0,0,0|2,0,0]=4 538 B11R1.27 Cn1cc(CCCC=O)nn1 Amb27001764 [1,1,0,0,0,0|2,0,0]=4 539 B11R1.27 Cn1ccc(CCCC=O)c1 Amb18224282 [1,1,0,0,0,0|2,0,0]=4 540 B11R1.27 Cn1cnc(CCCC=O)c1 Amb33326110 [1,1,0,0,0,0|1,0,0]=3 541 B11R1.27 Cn1cnc(CCN=C=O)c1 Amb24373327 [1,1,0,0,0,0|0,0,2]=4 542 B11R1.27 Cn1cnc(CCNC#N)c1 Amb28137324 [1,1,0,0,0,0|1,0,1]=4 543 B11R1.27 Cn1cnc(CCNC=O)c1 Amb27944692 [1,1,0,0,0,0|0,0,0]=2 544 B11R1.27 O=CCCCc1csc(Br)n1 Amb33335514 [1,1,0,0,0,0|2,0,0]=4 545 B11R1.27 O=CNCCC1=CC(=O)NN1 Amb27231926 [1,1,0,0,0,0|2,0,0]=4 546 B11R1.27 O=CNCCc1ccc(Br)s1 Amb27474433 [1,1,0,0,0,0|2,0,0]=4 547 B11R1.27 O=CNCCc1ccc(Cl)s1 Amb27240433 [1,1,0,0,0,0|2,0,0]=4 548 B11R1.29 CC(CNC=O)c1nccs1 Amb28068640 [1,1,0,0,0,0|2,0,0]=4 549 B11R1.29 O=CCCC(O)c1cscn1 Amb27986422 [1,1,0,0,0,0|2,0,0]=4 550 B11R1.30 CC(Cc1ccsc1)NC=O Amb27973219 [1,1,0,0,0,0|2,0,0]=4 551 B11R1.180 Cn1cccc1CCNC=O Amb23597092 [1,1,0,0,0,0|1,0,1]=4 552 B11R1.180 Cn1ccnc1CCNC=O Amb27866239 [1,1,0,0,0,0|2,0,0]=4 553 B11R1.180 Cn1cncc1CCNC=O Amb35709673 [1,1,0,0,0,0|0,0,2]=4 554 B11R1.35 CC(=O)C(C)Cc1ccco1 Amb17939894 [0,1,0,0,1,0|2,0,0]=4 555 B11R1.35 CC(=O)C(C)Cc1cnsn1 Amb28060237 [0,1,0,0,1,0|1,0,1]=4 556 B11R1.35 CC(=O)C(C)Cc1cscn1 Amb27663866 [0,1,0,0,1,0|1,0,0]=3 557 B11R1.35 CC(=O)C(N)Cc1cncs1 Amb18198886 [0,1,0,0,1,0|1,0,1]=4 558 B11R1.35 CC(=O)N(C)Cc1ccco1 Amb8336371 [0,1,0,0,1,0|2,0,0]=4 559 B11R1.35 CC(=O)N(C)Cc1ccsc1 Amb8337943 [0,1,0,0,1,0|2,0,0]=4 560 B11R1.35 CC(=O)N(C)Cc1cncs1 Amb27850732 [0,1,0,0,1,0|1,0,1]=4 561 B11R1.35 CC(=O)N(C)Cc1cscn1 Amb27255526 [0,1,0,0,1,0|1,0,0]=3 562 B11R1.35 CC(=O)N(C)Cc1ncon1 Amb27594328 [0,1,0,0,1,0|2,0,0]=4 563 B11R1.35 CC(Cc1cscn1)C(=O)O Amb18292876 [0,1,0,0,1,0|2,0,0]=4 564 B11R1.35 CN(Cc1cscn1)C(=O)Cl Amb27593759 [0,1,0,0,1,0|2,0,0]=4 565 B11R1.35 NC(=O)C(N)Cc1cscn1 Amb33066289 [0,1,0,0,1,0|2,0,0]=4 566 B11R1.35 NC(Cc1cocn1)C(=O)O Amb24409031 [0,1,0,0,1,0|2,0,0]=4 567 B11R1.35 NC(Cc1cocn1)C(=O)O Amb33620562 [0,1,0,0,1,0|2,0,0]=4 568 B11R1.35 NC(Cc1cscn1)C(=O)O Amb33620569 [0,1,0,0,1,0|2,0,0]=4 569 B11R1.35 NC(Cc1cscn1)C(=O)O Amb8631053 [0,1,0,0,1,0|2,0,0]=4 570 B11R1.35 N[C@@H](Cc1cocn1)C(=O)O Amb27839934 [0,1,0,0,1,0|2,0,0]=4 571 B11R1.35 N[C@@H](Cc1cscn1)C(=O)O Amb10069175 [0,1,0,0,1,0|2,0,0]=4 572 B11R1.35 N[C@H](Cc1cscn1)C(=O)O Amb10069174 [0,1,0,0,1,0|2,0,0]=4 573 B11R1.35 O=C(O)C(O)Cc1cscn1 Amb33353293 [0,1,0,0,1,0|2,0,0]=4 574 B11R1.75 CC(=N)NCc1ncn(C)n1 Amb27453099 [0,1,0,0,1,0|2,0,0]=4 575 B11R1.75 CC(=O)CCC1=CC(=O)NN1 Amb27225157 [0,1,0,0,1,0|2,0,0]=4 576 B11R1.75 CC(=O)CCC1=CCC(=O)N1 Amb27849883 [0,1,0,0,1,0|1,0,1]=4 577 B11R1.75 CC(=O)CCc1cc(Br)co1 Amb33431947 [0,1,0,0,1,0|2,0,0]=4 578 B11R1.75 CC(=O)CCc1cc(Br)cs1 Amb24533193 [0,1,0,0,1,0|2,0,0]=4 579 B11R1.75 CC(=O)CCc1cc(C)cs1 Amb33373478 [0,1,0,0,1,0|2,0,0]=4 580 B11R1.75 CC(=O)CCc1cc(C)on1 Amb18201114 [0,1,0,0,1,0|2,0,0]=4 581 B11R1.75 CC(=O)CCc1cc(Cl)cs1 Amb33058561 [0,1,0,0,1,0|2,0,0]=4 582 B11R1.75 CC(=O)CCc1ccc(Br)o1 Amb25358774 [0,1,0,0,1,0|2,0,0]=4 583 B11R1.75 CC(=O)CCc1ccc(Br)s1 Amb9031566 [0,1,0,0,1,0|2,0,0]=4 584 B11R1.75 CC(=O)CCc1ccc(C)o1 Amb2794107 [0,1,0,0,1,0|2,0,0]=4 585 B11R1.75 CC(=O)CCc1ccc(C)s1 Amb27197401 [0,1,0,0,1,0|2,0,0]=4 586 B11R1.75 CC(=O)CCc1ccc(Cl)o1 Amb33258674 [0,1,0,0,1,0|2,0,0]=4 587 B11R1.75 CC(=O)CCc1ccc(Cl)s1 Amb9031565 [0,1,0,0,1,0|2,0,0]=4 588 B11R1.75 CC(=O)CCc1ccn(C)c1 Amb18224264 [0,1,0,0,1,0|1,0,0]=3 589 B11R1.75 CC(=O)CCc1ccn(C)n1 Amb18201311 [0,1,0,0,1,0|2,0,0]=4 590 B11R1.75 CC(=O)CCc1cn(C)cn1 Amb26328220 [0,1,0,0,1,0|0,0,0]=2 591 B11R1.75 CC(=O)CCc1cn(C)nn1 Amb26580597 [0,1,0,0,1,0|1,0,0]=3 592 B11R1.75 CC(=O)CCc1cnc(C)s1 Amb25084411 [0,1,0,0,1,0|1,0,1]=4 593 B11R1.75 CC(=O)CCc1cnc(Cl)s1 Amb2436182 [0,1,0,0,1,0|1,0,1]=4 594 B11R1.75 CC(=O)CCc1cnc(N)s1 Amb33307917 [0,1,0,0,1,0|1,0,1]=4 595 B11R1.75 CC(=O)CCc1cnn(C)c1 Amb18179442 [0,1,0,0,1,0|2,0,0]=4 596 B11R1.75 CC(=O)CCc1csc(Br)c1 Amb33263429 [0,1,0,0,1,0|2,0,0]=4 597 B11R1.75 CC(=O)CCc1csc(Br)n1 Amb33335510 [0,1,0,0,1,0|1,0,0]=3 598 B11R1.75 CC(=O)CCc1csc(C)n1 Amb18062040 [0,1,0,0,1,0|1,0,0]=3 599 B11R1.75 CC(=O)CCc1csc(Cl)c1 Amb24523155 [0,1,0,0,1,0|2,0,0]=4 600 B11R1.75 CC(=O)CCc1nc(C)cs1 Amb17334776 [0,1,0,0,1,0|2,0,0]=4 601 B11R1.75 CC(=O)CCc1nc(C)no1 Amb27226295 [0,1,0,0,1,0|1,0,1]=4 602 B11R1.75 CC(=O)CCc1ncc(Br)s1 Amb33434751 [0,1,0,0,1,0|2,0,0]=4 603 B11R1.75 CC(=O)CCc1ncc(C)o1 Amb18201112 [0,1,0,0,1,0|2,0,0]=4 604 B11R1.75 CC(=O)CCn1cc(C)cn1 Amb18179419 [0,1,0,0,1,0|2,0,0]=4 605 B11R1.75 CC(=O)CCn1cc(I)cn1 Amb27975572 [0,1,0,0,1,0|2,0,0]=4 606 B11R1.75 CC(=O)CCn1ccc(C)n1 Amb27830341 [0,1,0,0,1,0|2,0,0]=4 607 B11R1.75 CC(=O)NCc1ccc(Br)s1 Amb14004357 [0,1,0,0,1,0|2,0,0]=4 608 B11R1.75 CC(=O)NCc1ccc(Cl)s1 Amb27762022 [0,1,0,0,1,0|2,0,0]=4 609 B11R1.75 CC(=O)NCc1cn(C)nn1 Amb27840390 [0,1,0,0,1,0|1,0,0]=3 610 B11R1.75 CC(=O)NCc1cnn(C)c1 Amb27262227 [0,1,0,0,1,0|2,0,0]=4 611 B11R1.75 CC(=O)NCc1csc(Br)c1 Amb27836393 [0,1,0,0,1,0|2,0,0]=4 612 B11R1.75 CC(=O)NCc1csc(N)n1 Amb32722653 [0,1,0,0,1,0|1,0,0]=3 613 B11R1.75 CC(=O)NCc1nc(C)cs1 Amb28201193 [0,1,0,0,1,0|2,0,0]=4 614 B11R1.75 CC(=O)NCc1ncc(C)o1 Amb28399080 [0,1,0,0,1,0|2,0,0]=4 615 B11R1.75 CC(=O)NCc1ncc(C)s1 Amb28041503 [0,1,0,0,1,0|2,0,0]=4 616 B11R1.75 CC(=O)NCc1noc(C)n1 Amb27232574 [0,1,0,0,1,0|2,0,0]=4 617 B11R1.75 CC(=O)OCc1cn(C)nn1 Amb27176855 [0,1,0,0,1,0|2,0,0]=4 618 B11R1.75 CC(=O)OCc1csc(C)n1 Amb22749065 [0,1,0,0,1,0|2,0,0]=4 619 B11R1.75 CC(=O)OCc1csc(Cl)n1 Amb27979274 [0,1,0,0,1,0|2,0,0]=4 620 B11R1.75 CC(=O)SCC1=CNC(=O)N1 Amb27401201 [0,1,0,0,1,0|1,0,1]=4 621 B11R1.75 CC(=O)\C=C\c1cn(C)cn1 Amb33079480 [0,1,0,0,1,0|0,0,2]=4 622 B11R1.75 CC(C)NCc1cn(C)cn1 Amb25313947 [0,1,0,0,1,0|1,0,1]=4 623 B11R1.75 CC(Cl)CCc1cn(C)cn1 Amb27425302 [0,1,0,0,1,0|1,0,1]=4 624 B11R1.75 CC(N)CCc1cn(C)cn1 Amb26932926 [0,1,0,0,1,0|1,0,1]=4 625 B11R1.75 CC(O)CCc1cn(C)cn1 Amb24502083 [0,1,0,0,1,0|0,0,2]=4 626 B11R1.75 C[C@@H](N)CCc1cn(C)cn1 Amb33326987 [0,1,0,0,1,0|1,0,1]=4 627 B11R1.75 C[C@@H](O)CCc1cn(C)cn1 Amb33326166 [0,1,0,0,1,0|0,0,2]=4 628 B11R1.75 C[C@H](N)CCc1cn(C)cn1 Amb33326986 [0,1,0,0,1,0|1,0,1]=4 629 B11R1.75 C[C@H](O)CCc1cn(C)cn1 Amb33326989 [0,1,0,0,1,0|0,0,2]=4 630 B11R1.75 Cc1nc(CCC(=O)O)co1 Amb17399989 [0,1,0,0,1,0|2,0,0]=4 631 B11R1.75 Cc1nc(CCC(=O)O)cs1 Amb8010320 [0,1,0,0,1,0|2,0,0]=4 632 B11R1.75 Cn1cc(CCC(=O)O)nn1 Amb33548119 [0,1,0,0,1,0|2,0,0]=4 633 B11R1.75 Cn1cc(CNC(=O)Cl)nn1 Amb35633458 [0,1,0,0,1,0|2,0,0]=4 634 B11R1.75 Cn1ccc(CCC(=O)O)c1 Amb18065395 [0,1,0,0,1,0|2,0,0]=4 635 B11R1.75 Cn1ccc(CNC(N)=O)c1 Amb27861678 [0,1,0,0,1,0|2,0,0]=4 636 B11R1.75 Cn1cnc(CCC(=O)O)c1 Amb18064894 [0,1,0,0,1,0|1,0,0]=3 637 B11R1.75 Cn1cnc(CCC(=O)O)n1 Amb18200507 [0,1,0,0,1,0|2,0,0]=4 638 B11R1.75 Cn1cnc(CC[N+](=O)[O-])c1 Amb33324404 [0,1,0,0,1,0|2,0,0]=4 639 B11R1.75 Cn1cnc(CNC(=O)Cl)n1 Amb35633504 [0,1,0,0,1,0|2,0,0]=4 640 B11R1.75 Cn1cnc(COC(=O)Cl)c1 Amb33297125 [0,1,0,0,1,0|2,0,0]=4 641 B11R1.75 Cn1cnc(OCC(=O)O)c1 Amb33323871 [0,1,0,0,1,0|2,0,0]=4 642 B11R1.75 NC(=O)CCc1csc(N)n1 Amb9175367 [0,1,0,0,1,0|2,0,0]=4 643 B11R1.75 NC(=O)NCC1=CNC(=O)N1 Amb25779952 [0,1,0,0,1,0|1,0,1]=4 644 B11R1.75 Nc1nc(CCC(=O)O)co1 Amb27762926 [0,1,0,0,1,0|2,0,0]=4 645 B11R1.75 Nc1nc(CCC(=O)O)cs1 Amb13949099 [0,1,0,0,1,0|2,0,0]=4 646 B11R1.75 Nc1nc(CCC(=O)O)cs1 Amb21955536 [0,1,0,0,1,0|2,0,0]=4 647 B11R1.75 Nc1nc(CCC(=O)O)cs1 Amb2721898 [0,1,0,0,1,0|2,0,0]=4 648 B11R1.75 O=C(O)CCC1=CNC(=O)N1 Amb19550071 [0,1,0,0,1,0|1,0,1]=4 649 B11R1.75 O=C(O)CCC1=CNC(=S)N1 Amb20243447 [0,1,0,0,1,0|1,0,1]=4 650 B11R1.75 O=C(O)CCC1=NC(=O)NN1 Amb20669262 [0,1,0,0,1,0|2,0,0]=4 651 B11R1.75 O=C(O)CCc1csc(Br)n1 Amb17409134 [0,1,0,0,1,0|2,0,0]=4 652 B11R1.75 O=C(O)CCc1csc(S)n1 Amb18129800 [0,1,0,0,1,0|2,0,0]=4 653 B11R1.77 C=C(C)CC(N)c1cscn1 Amb28047689 [0,1,0,0,1,0|2,0,0]=4 654 B11R1.77 CC(=N)NC(C)c1cscn1 Amb35631639 [0,1,0,0,1,0|2,0,0]=4 655 B11R1.77 CC(=O)CC(=O)c1cscn1 Amb26980772 [0,1,0,0,1,0|1,0,1]=4 656 B11R1.77 CC(=O)CC(C)c1cccs1 Amb5740066 [0,1,0,0,1,0|2,0,0]=4 657 B11R1.77 CC(=O)CC(C)c1ccsn1 Amb28054579 [0,1,0,0,1,0|2,0,0]=4 658 B11R1.77 CC(=O)CC(C)c1cncs1 Amb35612878 [0,1,0,0,1,0|1,0,1]=4 659 B11R1.77 CC(=O)CC(C)n1cncn1 Amb28066484 [0,1,0,0,1,0|1,0,1]=4 660 B11R1.77 CC(=O)CC(N)c1ccoc1 Amb27804016 [0,1,0,0,1,0|2,0,0]=4 661 B11R1.77 CC(=O)CC(O)c1ccco1 Amb26055659 [0,1,0,0,1,0|2,0,0]=4 662 B11R1.77 CC(=O)CC(O)c1ccoc1 Amb27762505 [0,1,0,0,1,0|2,0,0]=4 663 B11R1.77 CC(=O)C[C@H](C)c1cccs1 Amb27948566 [0,1,0,0,1,0|2,0,0]=4 664 B11R1.77 CC(=O)C[C@H](O)c1ccsc1 Amb27226997 [0,1,0,0,1,0|2,0,0]=4 665 B11R1.77 CC(=O)NC(C)c1cccs1 Amb4552225 [0,1,0,0,1,0|2,0,0]=4 666 B11R1.77 CC(=O)NC(C)c1cscn1 Amb35612292 [0,1,0,0,1,0|1,0,0]=3 667 B11R1.77 CC(=O)N[C@@H](C)c1ccsc1 Amb28365530 [0,1,0,0,1,0|2,0,0]=4 668 B11R1.77 CC(=O)N[C@H](C)c1ccco1 Amb27834225 [0,1,0,0,1,0|2,0,0]=4 669 B11R1.77 CC(CC(=O)O)c1cscn1 Amb28199109 [0,1,0,0,1,0|2,0,0]=4 670 B11R1.77 CC(NC(N)=O)c1cscn1 Amb30036879 [0,1,0,0,1,0|2,0,0]=4 671 B11R1.77 NC(=O)CC(N)c1cscn1 Amb27433739 [0,1,0,0,1,0|2,0,0]=4 672 B11R1.77 NC(=O)C[C@@H](N)c1cscn1 Amb26409301 [0,1,0,0,1,0|2,0,0]=4 673 B11R1.77 NC(=O)C[C@H](N)c1cscn1 Amb24488370 [0,1,0,0,1,0|2,0,0]=4 674 B11R1.77 NC(CC(=O)O)c1cscn1 Amb25920675 [0,1,0,0,1,0|2,0,0]=4 675 B11R1.77 N[C@@H](CC(=O)O)c1cscn1 Amb25861492 [0,1,0,0,1,0|2,0,0]=4 676 B11R1.77 N[C@H](CC(=O)O)c1cscn1 Amb27591355 [0,1,0,0,1,0|2,0,0]=4 677 B11R1.77 O=C(O)CC(O)c1cscn1 Amb18198066 [0,1,0,0,1,0|2,0,0]=4 678 B11R1.77 O=C(O)C[C@@H](O)c1cscn1 Amb33418195 [0,1,0,0,1,0|2,0,0]=4 679 B11R1.77 O=C(O)C[C@H](O)c1cscn1 Amb33418196 [0,1,0,0,1,0|2,0,0]=4 680 B11R1.90 CC(=O)CCN1C=CNC1=O Amb27851571 [0,1,0,0,1,0|2,0,0]=4 681 B11R1.90 CC(=O)CCc1cccn1C Amb26038750 [0,1,0,0,1,0|1,0,1]=4 682 B11R1.90 CC(=O)CCc1ccoc1C Amb26553050 [0,1,0,0,1,0|2,0,0]=4 683 B11R1.90 CC(=O)CCc1ccsc1C Amb27866001 [0,1,0,0,1,0|2,0,0]=4 684 B11R1.90 CC(=O)CCc1cncn1C Amb26048243 [0,1,0,0,1,0|0,0,2]=4 685 B11R1.90 CC(=O)CCc1cscc1C Amb33146520 [0,1,0,0,1,0|2,0,0]=4 686 B11R1.90 CC(=O)CCc1nccn1C Amb25691923 [0,1,0,0,1,0|2,0,0]=4 687 B11R1.90 CC(=O)CCc1ncnn1C Amb28064451 [0,1,0,0,1,0|1,0,1]=4 688 B11R1.90 CC(=O)CCc1nonc1C Amb27751783 [0,1,0,0,1,0|1,0,1]=4 689 B11R1.90 CC(=O)CCc1occc1C Amb26853347 [0,1,0,0,1,0|2,0,0]=4 690 B11R1.90 CC(=O)CCc1sccc1Br Amb25329410 [0,1,0,0,1,0|2,0,0]=4 691 B11R1.90 CC(=O)CCc1sccc1C Amb26320137 [0,1,0,0,1,0|2,0,0]=4 692 B11R1.90 CC(=O)CCc1sccc1Cl Amb25692710 [0,1,0,0,1,0|2,0,0]=4 693 B11R1.90 CC(=O)CCc1scnc1C Amb26936638 [0,1,0,0,1,0|1,0,1]=4 694 B11R1.90 CC(=O)NCc1cccn1C Amb27784913 [0,1,0,0,1,0|1,0,1]=4 695 B11R1.90 CC(=O)NCc1cccn1O Amb27186784 [0,1,0,0,1,0|1,0,1]=4 696 B11R1.90 CC(=O)NCc1ccoc1C Amb25923186 [0,1,0,0,1,0|2,0,0]=4 697 B11R1.90 CC(=O)NCc1ccsc1Br Amb27810068 [0,1,0,0,1,0|2,0,0]=4 698 B11R1.90 CC(=O)NCc1cscc1C Amb27235540 [0,1,0,0,1,0|2,0,0]=4 699 B11R1.90 CC(=O)NCc1ncnn1C Amb27595334 [0,1,0,0,1,0|1,0,1]=4 700 B11R1.90 CC(=O)NCc1nonc1C Amb27802120 [0,1,0,0,1,0|1,0,1]=4 701 B11R1.90 CC(=O)NCc1sccc1C Amb27647871 [0,1,0,0,1,0|2,0,0]=4 702 B11R1.90 Cc1ocnc1CCC(=O)O Amb18200534 [0,1,0,0,1,0|2,0,0]=4 703 B11R1.90 O=C(O)CCC1N=CNC1=O Amb25028108 [0,1,0,0,1,0|1,0,1]=4 704 B11R1.90 O=C(O)CCc1ncsc1Br Amb33470276 [0,1,0,0,1,0|2,0,0]=4 705 B11R1.510 CS(=N)(=O)NCc1cocn1 Amb35680596 [0,1,0,0,1,0|2,0,0]=4 706 B11R1.510 CS(=N)(=O)NCc1cscn1 Amb35730150 [0,1,0,0,1,0|2,0,0]=4 707 B13R1.45 CC(=N)NCC(C)c1ccccn1 Amb35694001 [0,1,0,0,0,1|2,0,0]=4 708 B13R1.45 CC(=O)CCC(Cl)c1ccccn1 Amb17402226 [0,1,0,0,0,1|2,0,0]=4 709 B13R1.45 CC(=O)CCC(Cl)c1cccnc1 Amb17402227 [0,1,0,0,0,1|2,0,0]=4 710 B13R1.45 CC(=O)NCC(Br)c1ccccc1 Amb27809645 [0,1,0,0,0,1|2,0,0]=4 711 B13R1.45 CC(=O)NCC(C)c1ccccc1 Amb8384388 [0,1,0,0,0,1|2,0,0]=4 712 B13R1.45 CC(=O)NCC(C)c1ccccn1 Amb35694000 [0,1,0,0,0,1|1,0,0]=3 713 B13R1.45 CC(=O)NCC(O)c1ccccc1 Amb9244841 [0,1,0,0,0,1|2,0,0]=4 714 B13R1.45 CC(=O)NCC(O)c1ccccn1 Amb27268413 [0,1,0,0,0,1|1,0,0]=3 715 B13R1.45 CC(=O)NCC(O)c1ccncc1 Amb27591120 [0,1,0,0,0,1|1,0,1]=4 716 B13R1.45 CC(=O)NC[C@H](O)c1ccccc1 Amb27427139 [0,1,0,0,0,1|2,0,0]=4 717 B13R1.45 CC(=O)NNC(C)c1cccnc1 Amb28206897 [0,1,0,0,0,1|2,0,0]=4 718 B13R1.45 CC(=O)NNC(C)c1cnccn1 Amb27605065 [0,1,0,0,0,1|1,0,1]=4 719 B13R1.45 CC(CNC(=O)Cl)c1ccccn1 Amb35625901 [0,1,0,0,0,1|2,0,0]=4 720 B13R1.45 CC(CNC(N)=O)c1ccccn1 Amb35685998 [0,1,0,0,0,1|2,0,0]=4 721 B13R1.149 CC(=N)NCCc1cccc(C)n1 Amb35717520 [0,1,0,0,0,1|2,0,0]=4 722 B13R1.149 CC(=O)NCCc1cccc(Br)c1 Amb27985315 [0,1,0,0,0,1|2,0,0]=4 723 B13R1.149 CC(=O)NCCc1cccc(N)c1 Amb28291587 [0,1,0,0,0,1|2,0,0]=4 724 B13R1.149 CC(=O)NCCc1cccc(O)c1 Amb26946233 [0,1,0,0,0,1|2,0,0]=4 725 B13R1.149 CC(=O)NOCc1cccc(Br)n1 Amb27254711 [0,1,0,0,0,1|2,0,0]=4 726 B13R1.149 Cc1cccc(CCNC(=O)Cl)n1 Amb35633215 [0,1,0,0,0,1|2,0,0]=4 727 B13R1.149 Cc1cccc(CCNC(N)=O)n1 Amb27955661 [0,1,0,0,0,1|2,0,0]=4 728 B13R1.158 CC(=N)NCCc1ncccc1C Amb35580305 [0,1,0,0,0,1|2,0,0]=4 729 B13R1.158 CC(=O)NCCc1ccccc1Br Amb13133608 [0,1,0,0,0,1|2,0,0]=4 730 B13R1.158 CC(=O)NCCc1ccccc1Cl Amb25324158 [0,1,0,0,0,1|2,0,0]=4 731 B13R1.158 CC(=O)NCCc1ccccc1N Amb27180309 [0,1,0,0,0,1|2,0,0]=4 732 B13R1.158 CC(=O)NCCc1ccccc1O Amb16982301 [0,1,0,0,0,1|2,0,0]=4 733 B13R1.158 CC(=O)NCCc1cccnc1Br Amb28319510 [0,1,0,0,0,1|1,0,0]=3 734 B13R1.158 CC(=O)NCCc1ncccc1C Amb35579988 [0,1,0,0,0,1|1,0,0]=3 735 B13R1.158 CC(=O)NOCc1cccnc1Cl Amb27978181 [0,1,0,0,0,1|2,0,0]=4 736 B13R1.158 Cc1cccnc1CCNC(=O)Cl Amb35633226 [0,1,0,0,0,1|2,0,0]=4 737 B13R1.158 Cc1cccnc1CCNC(N)=O Amb35731254 [0,1,0,0,0,1|2,0,0]=4 738 B13R1.348 CC(=N)NC(C)Cc1ccccn1 Amb29889267 [0,1,0,0,0,1|2,0,0]=4 739 B13R1.348 CC(=O)NC(C)Cc1ccccc1 Amb8503527 [0,1,0,0,0,1|2,0,0]=4 740 B13R1.348 CC(=O)NC(C)Cc1ccccn1 Amb35596262 [0,1,0,0,0,1|1,0,0]=3 741 B13R1.348 CC(=O)NC(O)Cc1ccccc1 Amb28132759 [0,1,0,0,0,1|2,0,0]=4 742 B13R1.348 CC(Cc1ccccn1)NC(=O)Cl Amb29889121 [0,1,0,0,0,1|2,0,0]=4 743 B13R1.348 CC(Cc1ccccn1)NC(N)=O Amb35692251 [0,1,0,0,0,1|2,0,0]=4 744 B13R1.351 CN(CCc1ccccn1)C(=O)Cl Amb32863842 [0,1,0,0,0,1|2,0,0]=4 745 B13R1.351 CN(CCc1cnccn1)C(=O)Cl Amb32864039 [0,1,0,0,0,1|1,0,1]=4 746 B13R1.513 CC(=N)NCCc1ccc(C)cn1 Amb35717521 [0,1,0,0,0,1|2,0,0]=4 747 B13R1.513 CC(=O)NCCC1=CCN(C)CC1 Amb28051432 [0,1,0,0,0,1|1,0,1]=4 748 B13R1.513 CC(=O)NCCc1ccc(Br)cc1 Amb24451176 [0,1,0,0,0,1|2,0,0]=4 749 B13R1.513 CC(=O)NCCc1ccc(Br)cn1 Amb24436674 [0,1,0,0,0,1|1,0,0]=3 750 B13R1.513 CC(=O)NCCc1ccc(C)cn1 Amb29857589 [0,1,0,0,0,1|1,0,0]=3 751 B13R1.513 CC(=O)NCCc1ccc(Cl)cc1 Amb22227659 [0,1,0,0,0,1|2,0,0]=4 752 B13R1.513 CC(=O)NCCc1ccc(F)cn1 Amb27753652 [0,1,0,0,0,1|1,0,0]=3 753 B13R1.513 CC(=O)NCCc1ccc(N)cc1 Amb17138877 [0,1,0,0,0,1|2,0,0]=4 754 B13R1.513 CC(=O)NCCc1ccc(O)cc1 Amb5797418 [0,1,0,0,0,1|2,0,0]=4 755 B13R1.513 CC(=O)NOCc1ccc(Cl)nc1 Amb27809978 [0,1,0,0,0,1|2,0,0]=4 756 B13R1.513 Cc1ccc(CCNC(=O)Cl)nc1 Amb35633501 [0,1,0,0,0,1|2,0,0]=4 757 B13R1.513 Cc1ccc(CCNC(N)=O)nc1 Amb35725202 [0,1,0,0,0,1|2,0,0]=4 758 B13R1.718 C=CC(=O)NCCc1ccccn1 Amb9480564 [0,1,0,0,0,1|1,0,1]=4 759 B13R1.718 CCC(=O)NCCc1ccncc1 Amb24073074 [0,1,0,0,0,1|1,0,1]=4 760 B13R1.718 CNC(=N)NCCc1cccnc1 Amb18804783 [0,1,0,0,0,1|2,0,0]=4 761 B13R1.718 CNC(=O)NCCc1ccccc1 Amb2132768 [0,1,0,0,0,1|2,0,0]=4 762 B13R1.718 CNC(=O)NCCc1ccccn1 Amb22584238 [0,1,0,0,0,1|1,0,0]=3 763 B13R1.718 CNC(=O)NCCc1cccnc1 Amb22584252 [0,1,0,0,0,1|1,0,0]=3 764 B13R1.718 CNC(=O)NCCc1ccncc1 Amb22584239 [0,1,0,0,0,1|1,0,1]=4 765 B13R1.718 CNC(=O)NOCc1cccnc1 Amb28050944 [0,1,0,0,0,1|2,0,0]=4 766 B13R1.718 CNC(=S)NCCc1cccnc1 Amb27162668 [0,1,0,0,0,1|1,1,0]=4 767 B13R1.718 COC(=O)CCCc1cccnc1 Amb24066737 [0,1,0,0,0,1|2,0,0]=4 768 B13R1.718 NCC(=O)NCCc1ccccc1 Amb13951619 [0,1,0,0,0,1|2,0,0]=4 769 B13R1.718 NCC(=O)NCCc1ccccc1 Amb5783058 [0,1,0,0,0,1|2,0,0]=4 770 B13R1.718 NCC(=O)NCCc1cccnc1 Amb5782418 [0,1,0,0,0,1|1,0,0]=3 771 B13R1.718 NNC(=O)NCCc1ccccn1 Amb8853994 [0,1,0,0,0,1|2,0,0]=4 772 B13R1.718 NNC(=O)NCCc1cccnc1 Amb18181087 [0,1,0,0,0,1|2,0,0]=4 773 B13R1.718 NNC(=O)NCCc1cnccn1 Amb27785688 [0,1,0,0,0,1|1,0,1]=4 774 B13R1.718 O=C(CBr)NCCc1ccccc1 Amb2089064 [0,1,0,0,0,1|2,0,0]=4 775 B13R1.718 O=C(CBr)NCCc1ccccn1 Amb17323242 [0,1,0,0,0,1|1,0,0]=3 776 B13R1.718 O=C(CCl)NCCc1ccccc1 Amb6315505 [0,1,0,0,0,1|2,0,0]=4 777 B13R1.718 O=C(CCl)NCCc1ccccn1 Amb6259596 [0,1,0,0,0,1|1,0,0]=3 778 B13R1.718 O=C(CCl)NCCc1cccnc1 Amb19056184 [0,1,0,0,0,1|1,0,0]=3 779 B13R1.718 O=C(CCl)NCCc1ccncc1 Amb17333280 [0,1,0,0,0,1|1,0,1]=4 780 B13R1.718 O=C(CI)NCCc1ccccc1 Amb32455597 [0,1,0,0,0,1|2,0,0]=4 781 B13R1.718 O=C(CO)NCCc1ccccc1 Amb1111400 [0,1,0,0,0,1|2,0,0]=4 782 B13R1.128 CC(=O)NCCCc1nc(C)cs1 Amb30494523 [0,1,0,0,0,1|2,0,0]=4 783 B13R1.128 CC(=O)NCCNc1nc(C)ns1 Amb25683135 [0,1,0,0,0,1|1,0,1]=4 784 B13R1.128 CC(=O)NCCNc1ncc(C)s1 Amb27484351 [0,1,0,0,0,1|2,0,0]=4 785 B13R1.167 CC(=O)NCCNc1cscc1C Amb27778062 [0,1,0,0,0,1|2,0,0]=4 786 B13R1.536 O=C(CCl)NCCCc1cccs1 Amb31176171 [0,1,0,0,0,1|2,0,0]=4 787 B13R1.536 O=C(CCl)NCCCn1cccn1 Amb19514447 [0,1,0,0,0,1|2,0,0]=4 788 B13R1.129 CC(=O)NCC(O)c1ccc(Br)s1 Amb17360007 [0,2,0,0,0,0|2,0,0]=4 789 B13R1.129 CC(=O)NCC(O)c1ccc(Cl)s1 Amb17341541 [0,2,0,0,0,0|2,0,0]=4 790 B13R1.129 Cn1cnc(C(N)CCC(=O)O)c1 Amb33325066 [0,2,0,0,0,0|2,0,0]=4 791 B13R1.162 CC(CNC(=O)CCl)c1ncon1 Amb32723243 [0,2,0,0,0,0|2,0,0]=4 792 B13R1.162 CCC(=O)NCC(O)c1cccs1 Amb17337422 [0,2,0,0,0,0|2,0,0]=4 793 B13R1.162 CNC(=O)NCC(C)c1cccs1 Amb27651300 [0,2,0,0,0,0|2,0,0]=4 794 B13R1.162 CNC(=O)NCC(C)c1nccs1 Amb28118333 [0,2,0,0,0,0|2,0,0]=4 795 B13R1.162 CNC(=O)NCC(O)c1ccsc1 Amb27780988 [0,2,0,0,0,0|2,0,0]=4 796 B13R1.162 COC(=O)CCC(N)c1cscn1 Amb33417840 [0,2,0,0,0,0|2,0,0]=4 797 B13R1.340 CC(=O)NC(C)C(C)n1cccn1 Amb28070364 [0,2,0,0,0,0|2,0,0]=4 798 B13R1.340 CC(=O)NC(C)C(C)n1cncn1 Amb27397530 [0,2,0,0,0,0|1,0,1]=4 799 B13R1.588 CC(=O)NCC(C)(C)c1cccs1 Amb27794286 [0,2,0,0,0,0|2,0,0]=4 800 B13R1.588 CC(=O)NCC(C)(C)n1cccn1 Amb35602715 [0,2,0,0,0,0|2,0,0]=4 801 B13R1.60 CC(=O)NCCn1cnc(C#N)n1 Amb27485488 [0,2,0,0,0,0|1,0,1]=4 802 B13R1.717 C#CC(=O)NCCc1cn(C)cn1 Amb30017393 [0,2,0,0,0,0|0,0,1]=3 803 B13R1.717 CCC(=O)N\N=C\c1cn(C)cn1 Amb27456343 [0,2,0,0,0,0|1,0,1]=4 804 B13R1.717 CNC(=N)NCCc1ncn(C)n1 Amb28207674 [0,2,0,0,0,0|2,0,0]=4 805 B13R1.717 CNC(=O)NCCc1ccc(C)o1 Amb27752815 [0,2,0,0,0,0|2,0,0]=4 806 B13R1.717 CNC(=O)NCCc1ccc(Cl)s1 Amb11367876 [0,2,0,0,0,0|2,0,0]=4 807 B13R1.717 CNC(=O)NCCc1cnc(C)s1 Amb28126428 [0,2,0,0,0,0|1,0,1]=4 808 B13R1.717 CNC(=O)NCCc1csc(C)n1 Amb22584249 [0,2,0,0,0,0|1,0,0]=3 809 B13R1.717 CNC(=O)NCCc1nc(C)no1 Amb27607550 [0,2,0,0,0,0|1,0,1]=4 810 B13R1.717 CNC(=O)NCCc1nc(N)no1 Amb27586443 [0,2,0,0,0,0|1,0,1]=4 811 B13R1.717 CNC(=O)NCCc1ncc(C)s1 Amb27188859 [0,2,0,0,0,0|2,0,0]=4 812 B13R1.717 CNC(=O)N\N=C\c1cn(C)cn1 Amb27388465 [0,2,0,0,0,0|1,0,1]=4 813 B13R1.717 CNC(=S)NCCc1cn(C)cn1 Amb28121349 [0,2,0,0,0,0|0,1,0]=3 814 B13R1.717 CNC(=S)NCCc1csc(C)n1 Amb25258743 [0,2,0,0,0,0|1,1,0]=4 815 B13R1.717 COC(=O)CCCc1csc(N)n1 Amb20667848 [0,2,0,0,0,0|2,0,0]=4 816 B13R1.717 Cc1noc(CCNC(=O)CN)n1 Amb22012600 [0,2,0,0,0,0|1,0,1]=4 817 B13R1.717 Cc1noc(CCNC(=O)CN)n1 Amb22057953 [0,2,0,0,0,0|1,0,1]=4 818 B13R1.717 Cn1ccc(CCNC(=O)CN)c1 Amb18243815 [0,2,0,0,0,0|1,0,0]=3 819 B13R1.717 NCC(=O)NCCc1cc(Br)cs1 Amb18246365 [0,2,0,0,0,0|2,0,0]=4 820 B13R1.717 NCC(=O)NCCc1ccc(Br)s1 Amb18246370 [0,2,0,0,0,0|2,0,0]=4 821 B13R1.717 NCC(=O)NCCc1ccc(Cl)s1 Amb18244483 [0,2,0,0,0,0|2,0,0]=4 822 B13R1.3424 CC(=O)NC(C)Cc1csc(N)n1 Amb27217955 [0,2,0,0,0,0|1,0,0]=3 823 B13R1.3425 CC(CCc1cn(C)cn1)C(=O)O Amb33326114 [0,2,0,0,0,0|2,0,0]=4 824 B13R1.3443 CC(=O)NCCc1cc(C)n(C)n1 Amb28468958 [0,2,0,0,0,0|2,0,0]=4 825 B13R1.599 CNC(=O)NCCc1cncn1C Amb30018420 [0,2,0,0,0,0|0,0,2]=4 826 B13R1.599 CNC(=O)NCCc1ncnn1C Amb28398784 [0,2,0,0,0,0|1,0,1]=4 827 B13R1.599 CNC(=O)NCCc1sccc1C Amb28282450 [0,2,0,0,0,0|2,0,0]=4 828 B13R1.599 CNC(=O)NCCc1scnc1C Amb27491158 [0,2,0,0,0,0|1,0,1]=4 829 B13R1.545 CC(Cc1cccs1)NC(=O)CBr Amb17324035 [0,2,0,0,0,0|2,0,0]=4 830 B13R1.545 CCC(=O)NC(C)Cc1cccs1 Amb10940491 [0,2,0,0,0,0|2,0,0]=4 831 B13R1.545 CNC(=O)NC(C)Cc1ccco1 Amb27774627 [0,2,0,0,0,0|2,0,0]=4 832 B13R1.545 CNC(=O)NC(C)Cn1cncn1 Amb27256076 [0,2,0,0,0,0|1,0,1]=4 833 B13R1.554 CN(CCc1cccs1)C(=O)CCl Amb17242995 [0,2,0,0,0,0|2,0,0]=4 834 B13R1.554 CN(CCc1cccs1)C(=O)CN Amb17236794 [0,2,0,0,0,0|2,0,0]=4 835 B13R1.404 CC#CC(=O)NCCc1nccs1 Amb27484356 [0,2,0,0,0,0|2,0,0]=4 836 B13R1.404 CCOC(=O)NCCc1ccoc1 Amb22643619 [0,2,0,0,0,0|2,0,0]=4 837 B13R1.404 NCCC(=O)NCCc1cccs1 Amb5784993 [0,2,0,0,0,0|2,0,0]=4 838 B13R1.404 O=C(CCBr)NCCc1ccco1 Amb17324281 [0,2,0,0,0,0|2,0,0]=4 839 B13R1.404 O=C(CCBr)NCCc1cccs1 Amb17326111 [0,2,0,0,0,0|2,0,0]=4 840 B13R1.404 O=C(CCBr)NCCc1nccs1 Amb17328186 [0,2,0,0,0,0|2,0,0]=4 841 B13R1.404 O=C(CCCl)NCCc1nccs1 Amb17323366 [0,2,0,0,0,0|2,0,0]=4 842 B11R1.91 CC(=O)NCc1ccccn1 Amb3358089 [0,0,1,1,0,0|1,0,1]=4 843 B11R1.91 CC(=O)NCc1ccccn1 Amb6892496 [0,0,1,1,0,0|1,0,1]=4 844 B11R1.91 CC(=O)NCc1cncnc1 Amb22727960 [0,0,1,1,0,0|0,0,2]=4 845 B11R2.2 c1nc(C2CCNC2)co1 Amb18832171 [1,0,0,1,0,0|1,0,1]=4 846 B11R2.2 c1nc(C2CCNC2)cs1 Amb18830943 [1,0,0,1,0,0|1,0,1]=4 847 B11R2.106 CC1NCCc2ncsc21 Amb5735200 [1,0,0,1,0,0|1,0,1]=4 848 B11R2.106 O=C1CCCc2ncsc21 Amb18561852 [1,0,0,1,0,0|2,0,0]=4 849 B11R2.106 O=C1NCCc2ccoc21 Amb18832406 [1,0,0,1,0,0|2,0,0]=4 850 B11R2.106 O=C1NCCc2ccsc21 Amb18831122 [1,0,0,1,0,0|2,0,0]=4 851 B11R2.106 O=C1NCCc2cncn21 Amb2438066 [1,0,0,1,0,0|0,0,2]=4 852 B11R2.106 O=C1NCCc2cscc21 Amb18831115 [1,0,0,1,0,0|2,0,0]=4 853 B11R2.106 O=C1NCCc2nccn21 Amb18559576 [1,0,0,1,0,0|2,0,0]=4 854 B11R2.106 O=C1NCCc2nonc21 Amb18202981 [1,0,0,1,0,0|1,0,1]=4 855 B11R2.106 O=C1NCCc2occc21 Amb23585450 [1,0,0,1,0,0|2,0,0]=4 856 B11R2.106 O=C1NCCc2sccc21 Amb24410984 [1,0,0,1,0,0|2,0,0]=4 857 B11R2.106 O=C1NCCn2nccc21 Amb26392212 [1,0,0,1,0,0|2,0,0]=4 858 B11R2.106 O=C1NCN=C2N=CN=C12 Amb22001421 [1,0,0,1,0,0|1,0,1]=4 859 B11R2.11 O=C1CC(c2ccco2)N1 Amb27230866 [0,0,0,1,1,0|2,0,0]=4 860 B11R2.11 O=C1CC(c2cccs2)N1 Amb25185121 [0,0,0,1,1,0|2,0,0]=4 861 B11R2.11 O=C1CC(c2ccoc2)N1 Amb27175356 [0,0,0,1,1,0|2,0,0]=4 862 B11R2.11 O=C1CC(c2ccsc2)C1 Amb27396314 [0,0,0,1,1,0|2,0,0]=4 863 B11R2.11 O=C1CC(c2ccsc2)N1 Amb24376718 [0,0,0,1,1,0|2,0,0]=4 864 B11R2.11 O=C1CC(c2cncs2)N1 Amb27204951 [0,0,0,1,1,0|1,0,1]=4 865 B11R2.11 O=C1CC(c2csnn2)N1 Amb27433311 [0,0,0,1,1,0|2,0,0]=4 866 B11R2.11 O=C1CC(n2cccn2)C1 Amb25199247 [0,0,0,1,1,0|2,0,0]=4 867 B11R2.11 O=C1C[C@H](c2cccs2)N1 Amb28397156 [0,0,0,1,1,0|2,0,0]=4 868 B11R2.36 O=C1CCc2ccsc2C1 Amb24707052 [0,0,0,1,1,0|2,0,0]=4 869 B11R2.36 O=C1CCc2cscc2C1 Amb25145556 [0,0,0,1,1,0|2,0,0]=4 870 B11R2.36 O=C1CCc2nccn2C1 Amb27787676 [0,0,0,1,1,0|2,0,0]=4 871 B11R2.36 O=C1CCc2ncoc2C1 Amb27851704 [0,0,0,1,1,0|1,0,0]=3 872 B11R2.36 O=C1CCc2sccc2C1 Amb28288918 [0,0,0,1,1,0|2,0,0]=4 873 B11R2.36 O=C1CCc2scnc2C1 Amb24694323 [0,0,0,1,1,0|1,0,1]=4 874 B11R2.36 O=C1Cn2ccnc2CN1 Amb25057886 [0,0,0,1,1,0|2,0,0]=4 875 B11R2.36 O=C1Cn2ncnc2CN1 Amb28069659 [0,0,0,1,1,0|1,0,1]=4 876 B13R2.10 O=C1CC(c2ccccc2)CN1 Amb1772919 [0,0,0,1,0,1|2,0,0]=4 877 B13R2.10 O=C1CC(c2ccccn2)CN1 Amb13952281 [0,0,0,1,0,1|1,0,0]=3 878 B13R2.10 O=C1CC(c2ccccn2)NN1 Amb29862361 [0,0,0,1,0,1|2,0,0]=4 879 B13R2.10 O=C1CC(c2cccnc2)CN1 Amb13783612 [0,0,0,1,0,1|1,0,0]=3 880 B13R2.10 O=C1CC(c2cccnc2)NN1 Amb29862363 [0,0,0,1,0,1|2,0,0]=4 881 B13R2.10 O=C1CC(c2ccncc2)CN1 Amb17400108 [0,0,0,1,0,1|1,0,1]=4 882 B13R2.10 O=C1CC(c2ccncn2)CN1 Amb24341993 [0,0,0,1,0,1|0,0,1]=3 883 B13R2.10 O=C1CC(c2ccncn2)NN1 Amb35701170 [0,0,0,1,0,1|1,0,1]=4 884 B13R2.10 O=C1CC(c2cnccn2)CN1 Amb28134045 [0,0,0,1,0,1|0,0,1]=3 885 B13R2.10 O=C1CC(c2cnccn2)NN1 Amb35602940 [0,0,0,1,0,1|1,0,1]=4 886 B13R2.10 O=C1CC(c2cncnc2)CN1 Amb27783454 [0,0,0,1,0,1|0,0,1]=3 887 B13R2.10 O=C1CC(c2cncnc2)NN1 Amb35685978 [0,0,0,1,0,1|1,0,1]=4 888 B13R2.10 O=C1CC(c2ncccn2)CN1 Amb24468209 [0,0,0,1,0,1|1,0,0]=3 889 B13R2.10 O=C1CCC(c2ccccn2)C1 Amb17138526 [0,0,0,1,0,1|2,0,0]=4 890 B13R2.10 O=C1CCC(c2cccnc2)C1 Amb17138527 [0,0,0,1,0,1|2,0,0]=4 891 B13R2.10 O=C1C[C@@H](c2ccccc2)CN1 Amb25277165 [0,0,0,1,0,1|2,0,0]=4 892 B13R2.10 O=C1C[C@H](c2ccccc2)CN1 Amb23401452 [0,0,0,1,0,1|2,0,0]=4 893 B13R2.10 O=C1C[C@H](c2cnccn2)CN1 Amb27950912 [0,0,0,1,0,1|0,0,1]=3 894 B13R2.10 O=C1NCC(c2ccccn2)N1 Amb25331915 [0,0,0,1,0,1|2,0,0]=4 895 B13R2.10 O=C1NCC(c2ccccn2)O1 Amb18639394 [0,0,0,1,0,1|2,0,0]=4 896 B13R2.10 O=C1NCC(c2cccnc2)N1 Amb24346599 [0,0,0,1,0,1|2,0,0]=4 897 B13R2.10 O=C1NCC(c2cccnc2)O1 Amb17232462 [0,0,0,1,0,1|2,0,0]=4 898 B13R2.10 O=C1NCC(c2ccncn2)O1 Amb33267929 [0,0,0,1,0,1|1,0,1]=4 899 B13R2.10 O=C1NCC(c2cnccn2)O1 Amb33429612 [0,0,0,1,0,1|1,0,1]=4 900 B13R2.10 O=C1NCC(c2cncnc2)O1 Amb26895926 [0,0,0,1,0,1|1,0,1]=4 901 B13R2.10 O=C1NCC(c2ncccn2)O1 Amb33269612 [0,0,0,1,0,1|2,0,0]=4 902 B13R2.10 O=C1NC[C@H](c2cccnc2)N1 Amb27449804 [0,0,0,1,0,1|2,0,0]=4 903 B13R2.10 S=C1CC(c2cnccn2)CN1 Amb27454975 [0,0,0,1,0,1|0,1,1]=4 904 B13R2.10 S=C1C[C@@H](c2cnccn2)CN1 Amb28387728 [0,0,0,1,0,1|0,1,1]=4 905 B13R2.31 O=C1CC(Cc2ccccc2)N1 Amb27468739 [0,0,0,1,0,1|2,0,0]=4 906 B13R2.31 O=C1C[C@@H](Cc2ccccc2)N1 Amb28243189 [0,0,0,1,0,1|2,0,0]=4 907 B13R2.72 CC(=O)N1CCc2ccccc21 Amb6357858 [0,0,0,1,0,1|2,0,0]=4 908 B13R2.72 CC(=O)N1CCc2cccnc21 Amb25873902 [0,0,0,1,0,1|1,0,0]=3 909 B13R2.72 CC(=O)N1CCc2ccncc21 Amb23412123 [0,0,0,1,0,1|1,0,1]=4 910 B13R2.72 CC(=O)N1CCc2cnccc21 Amb25847503 [0,0,0,1,0,1|1,0,0]=3 911 B13R2.72 NC(=O)N1CCc2cnccc21 Amb27178746 [0,0,0,1,0,1|2,0,0]=4 912 B13R2.72 NC(=O)N1CCc2ncccc21 Amb28189863 [0,0,0,1,0,1|2,0,0]=4 913 B13R2.163 O=C1Cc2ccccc2CCN1 Amb16203437 [0,0,0,1,0,1|2,0,0]=4 914 B13R2.423 CC(=O)C1CC1c2cnccn2 Amb35601041 [0,0,0,1,0,1|1,0,1]=4 915 B13R2.423 CC(=O)C1CC1c2cncnc2 Amb27960546 [0,0,0,1,0,1|1,0,1]=4 916 B13R2.423 CC(=O)[C@@H]1C[C@H]1c2ccccn2 Amb33457459 [0,0,0,1,0,1|2,0,0]=4 917 B13R2.5881 CC(=O)NC1Cc2ccccc21 Amb17778879 [0,0,0,1,0,1|2,0,0]=4 918 B13R2.13 O=C1CCNC(c2cocn2)C1 Amb18827846 [0,0,0,1,0,1|2,0,0]=4 919 B13R2.13 O=C1CN(c2nccs2)CCN1 Amb27448326 [0,0,0,1,0,1|2,0,0]=4 920 B13R2.142 O=C1CC(Cc2cccs2)CN1 Amb27231604 [0,0,0,1,0,1|2,0,0]=4 921 B13R2.142 O=C1CCN(Cc2cocn2)C1 Amb27785047 [0,0,0,1,0,1|2,0,0]=4 922 B13R2.142 O=C1CCN(Cc2cscn2)C1 Amb27235418 [0,0,0,1,0,1|2,0,0]=4 923 B13R2.5569 CC(=O)N1CCCn2nccc21 Amb28188105 [0,0,0,1,0,1|2,0,0]=4 924 B13R2.5569 CC(=O)N1CCNc2ccoc21 Amb18686233 [0,0,0,1,0,1|2,0,0]=4 925 B13R2.5569 CC(=O)N1CCNc2ccsc21 Amb18685605 [0,0,0,1,0,1|2,0,0]=4 926 B13R2.5569 CC(=O)N1CCNc2cocc21 Amb18149183 [0,0,0,1,0,1|2,0,0]=4 927 B13R2.5569 CC(=O)N1CCNc2cscc21 Amb18685465 [0,0,0,1,0,1|2,0,0]=4 928 B13R2.5569 CC(=O)N1CCNc2occc21 Amb18686059 [0,0,0,1,0,1|2,0,0]=4 929 B13R2.5569 CC(=O)N1CCNc2sccc21 Amb18685455 [0,0,0,1,0,1|2,0,0]=4 930 B13R2.12 O=C1CCC(c2cccs2)CN1 Amb17400887 [0,1,0,1,0,0|2,0,0]=4 931 B13R2.12 O=C1CNC(c2cccs2)CN1 Amb27481025 [0,1,0,1,0,0|2,0,0]=4 932 B13R2.12 O=C1COC(c2ccco2)CN1 Amb28250861 [0,1,0,1,0,0|2,0,0]=4 933 B13R2.12 O=C1COC(c2ccsc2)CN1 Amb25092309 [0,1,0,1,0,0|2,0,0]=4 934 B13R2.12 O=C1NCC(c2ccco2)CN1 Amb25135221 [0,1,0,1,0,0|2,0,0]=4 935 B13R2.12 O=C1NCC(c2cccs2)CN1 Amb24687002 [0,1,0,1,0,0|2,0,0]=4 936 B13R2.2349 CC1(c2cccs2)CNC(=O)C1 Amb25823390 [0,1,0,1,0,0|2,0,0]=4 937 B13R2.2349 CC1(c2ccsc2)CNC(=O)C1 Amb27979631 [0,1,0,1,0,0|2,0,0]=4 938 B13R2.2349 CC1(c2cscn2)CCC(=O)C1 Amb27199332 [0,1,0,1,0,0|2,0,0]=4 939 B13R2.11 Cc1cc(C2CNC(=O)C2)no1 Amb27168100 [0,1,0,1,0,0|2,0,0]=4 940 B13R2.11 Cc1ccc(C2CNC(=O)C2)o1 Amb26925274 [0,1,0,1,0,0|2,0,0]=4 941 B13R2.11 Cc1ccc(C2CNC(=O)C2)s1 Amb24753970 [0,1,0,1,0,0|2,0,0]=4 942 B13R2.11 Cc1csc(C2CNC(=O)C2)c1 Amb26017124 [0,1,0,1,0,0|2,0,0]=4 943 B13R2.11 Cc1csc(C2CNC(=O)C2)n1 Amb27603717 [0,1,0,1,0,0|2,0,0]=4 944 B13R2.11 Cc1nc(C2CC(=O)NN2)cs1 Amb30010415 [0,1,0,1,0,0|2,0,0]=4 945 B13R2.11 Cc1nc(C2CNC(=O)C2)cs1 Amb25896689 [0,1,0,1,0,0|1,0,0]=3 946 B13R2.11 Cc1nc(C2CNC(=O)O2)cs1 Amb33320497 [0,1,0,1,0,0|2,0,0]=4 947 B13R2.11 Cc1ncc(C2CNC(=O)C2)s1 Amb28314590 [0,1,0,1,0,0|1,0,1]=4 948 B13R2.11 Cc1noc(C2CNC(=O)C2)n1 Amb23584549 [0,1,0,1,0,0|1,0,1]=4 949 B13R2.11 Cn1cc(C2CC(=O)NN2)nn1 Amb35701172 [0,1,0,1,0,0|2,0,0]=4 950 B13R2.11 Cn1cc(C2CNC(=O)C2)cn1 Amb28206766 [0,1,0,1,0,0|2,0,0]=4 951 B13R2.11 Cn1cc(C2CNC(=O)C2)nn1 Amb25363791 [0,1,0,1,0,0|1,0,0]=3 952 B13R2.11 Cn1cc(C2CNC(=O)O2)nn1 Amb27457475 [0,1,0,1,0,0|2,0,0]=4 953 B13R2.11 Cn1ccc(C2CNC(=O)C2)n1 Amb26556829 [0,1,0,1,0,0|2,0,0]=4 954 B13R2.11 Cn1cnc(C2CC(=O)CO2)c1 Amb35734260 [0,1,0,1,0,0|2,0,0]=4 955 B13R2.11 Cn1cnc(C2CC(=O)NN2)c1 Amb35686061 [0,1,0,1,0,0|1,0,0]=3 956 B13R2.11 Cn1cnc(C2CNC(=O)O2)c1 Amb25107299 [0,1,0,1,0,0|1,0,0]=3 957 B13R2.11 Cn1cnc(C2COC(=O)N2)c1 Amb25896977 [0,1,0,1,0,0|2,0,0]=4 958 B13R2.11 Cn1nnc(C2CNC(=O)C2)n1 Amb35712488 [0,1,0,1,0,0|2,0,0]=4 959 B13R2.11 O=C1CC(c2cc(Br)co2)CN1 Amb25315337 [0,1,0,1,0,0|2,0,0]=4 960 B13R2.11 O=C1CC(c2cc(Br)cs2)CN1 Amb32687495 [0,1,0,1,0,0|2,0,0]=4 961 B13R2.11 O=C1CC(c2cc(Cl)cs2)CN1 Amb24532711 [0,1,0,1,0,0|2,0,0]=4 962 B13R2.11 O=C1CC(c2ccc(Br)o2)CN1 Amb26597744 [0,1,0,1,0,0|2,0,0]=4 963 B13R2.11 O=C1CC(c2ccc(Br)s2)CN1 Amb32687496 [0,1,0,1,0,0|2,0,0]=4 964 B13R2.11 O=C1CC(c2ccc(Cl)o2)CN1 Amb25256002 [0,1,0,1,0,0|2,0,0]=4 965 B13R2.11 O=C1CC(c2ccc(Cl)s2)CN1 Amb25311190 [0,1,0,1,0,0|2,0,0]=4 966 B13R2.11 O=C1CC(c2cnc(Cl)s2)CN1 Amb33221820 [0,1,0,1,0,0|1,0,1]=4 967 B13R2.11 O=C1CC(c2csc(Br)c2)CN1 Amb33433585 [0,1,0,1,0,0|2,0,0]=4 968 B13R2.11 O=C1CC(c2csc(Br)n2)CN1 Amb33456630 [0,1,0,1,0,0|1,0,0]=3 969 B13R2.11 O=C1CC(c2ncc(Br)s2)CN1 Amb33436112 [0,1,0,1,0,0|2,0,0]=4 970 B13R2.11 O=C1CC(c2ncc(Cl)s2)CN1 Amb27766927 [0,1,0,1,0,0|2,0,0]=4 971 B13R2.11 O=C1CC(c2ncc(I)s2)CN1 Amb28193633 [0,1,0,1,0,0|2,0,0]=4 972 B13R2.11 O=C1NC=C(C2CNC(=O)N2)N1 Amb28076933 [0,1,0,1,0,0|1,0,1]=4 973 B13R2.11 O=C1NCC(c2csc(Br)n2)O1 Amb33335880 [0,1,0,1,0,0|2,0,0]=4 974 B13R2.346 Cc1ccc2n1CC(=O)NCC2 Amb27175613 [0,1,0,1,0,0|1,0,1]=4 975 B13R2.2965 Cn1nnc(CC2CC(=O)N2)n1 Amb27750374 [0,1,0,1,0,0|2,0,0]=4 976 B13R2.2965 Cn1nnc(C[C@H]2CC(=O)N2)n1 Amb28073094 [0,1,0,1,0,0|2,0,0]=4 977 B13R2.2978 Cn1cnc(C2CC2C(=O)O)c1 Amb24353249 [0,1,0,1,0,0|2,0,0]=4 978 B13R2.2978 Cn1cnc([C@@H]2C[C@H]2C(=O)O)c1 Amb33324748 [0,1,0,1,0,0|2,0,0]=4 979 B13R2.3335 CC(=O)N1CCc2cc(Br)oc21 Amb18753212 [0,1,0,1,0,0|2,0,0]=4 980 B13R2.3749 CC(=O)N1CCc2csc(Br)c21 Amb18154786 [0,1,0,1,0,0|2,0,0]=4 981 B13R2.3749 CC(=O)N1CCn2ncc(I)c21 Amb32675499 [0,1,0,1,0,0|2,0,0]=4 982 B13R2.3749 Cn1cnc2c1C(C(=O)O)CC2 Amb18827872 [0,1,0,1,0,0|2,0,0]=4 983 B13R2.4841 O=C1Cc2cc(Br)sc2CCN1 Amb27215585 [0,1,0,1,0,0|2,0,0]=4 984 B13R2.4841 O=C1Cc2cc(Cl)oc2CCN1 Amb27208571 [0,1,0,1,0,0|2,0,0]=4 985 B13R2.11633 Cn1cnc2c1C(C)(C)NCC2 Amb32649222 [0,1,0,1,0,0|1,0,1]=4 986 B13R2.144 Cc1ccoc1C2CNC(=O)C2 Amb25308814 [0,1,0,1,0,0|2,0,0]=4 987 B13R2.144 Cc1ccsc1C2CNC(=O)C2 Amb27159961 [0,1,0,1,0,0|2,0,0]=4 988 B13R2.144 Cc1cscc1C2CNC(=O)C2 Amb32954455 [0,1,0,1,0,0|2,0,0]=4 989 B13R2.144 Cc1ncsc1C2CNC(=O)C2 Amb24350582 [0,1,0,1,0,0|1,0,1]=4 990 B13R2.144 Cc1occc1C2CNC(=O)C2 Amb28346741 [0,1,0,1,0,0|2,0,0]=4 991 B13R2.144 Cn1cccc1C2CNC(=O)C2 Amb25667529 [0,1,0,1,0,0|1,0,1]=4 992 B13R2.144 Cn1ccnc1C2CNC(=O)C2 Amb25213345 [0,1,0,1,0,0|2,0,0]=4 993 B13R2.144 Cn1cncc1C2CNC(=O)C2 Amb25756198 [0,1,0,1,0,0|0,0,2]=4 994 B13R2.144 O=C1CC(c2sccc2Br)CN1 Amb33481367 [0,1,0,1,0,0|2,0,0]=4 995 B13R2.144 O=C1CC(c2sccc2Cl)CN1 Amb33406896 [0,1,0,1,0,0|2,0,0]=4 996 B13R2.430 CC(=O)N1CCc2sccc2C1 Amb8334044 [0,1,0,1,0,0|2,0,0]=4 997 B13R2.430 NC(=O)N1CCc2ncsc2C1 Amb28140457 [0,1,0,1,0,0|2,0,0]=4 998 B13R2.4666 CC1NC(=O)CC1c2ccco2 Amb28461643 [0,1,0,1,0,0|2,0,0]=4 999 B13R2.4666 CC1NC(=O)CC1c2cscn2 Amb27397872 [0,1,0,1,0,0|1,0,0]=3 1000 B13R2.2348 CC1C(=O)NCC1c2csnn2 Amb27655969 [0,1,0,1,0,0|2,0,0]=4 1001 B13R2.2348 CC1C(=O)NCC1c2nccs2 Amb27787163 [0,1,0,1,0,0|2,0,0]=4 1002 B13R2.2348 CC1C(=O)NNC1c2cscn2 Amb35693972 [0,1,0,1,0,0|2,0,0]=4 1003 B13R2.2348 CN1C(=O)NCC1c2ccco2 Amb25997812 [0,1,0,1,0,0|2,0,0]=4 1004 B13R2.2348 CN1C(=O)NCC1c2cccs2 Amb26358391 [0,1,0,1,0,0|2,0,0]=4 1005 B9R1.13 CC(=O)Cc1ccco1 Amb5751052 [0,0,0,0,2,0|2,0,0]=4 1006 B9R1.13 CC(=O)Cc1cccs1 Amb3429447 [0,0,0,0,2,0|2,0,0]=4 1007 B9R1.13 CC(=O)Cc1ccoc1 Amb25713513 [0,0,0,0,2,0|2,0,0]=4 1008 B9R1.13 CC(=O)Cc1ccon1 Amb33080144 [0,0,0,0,2,0|2,0,0]=4 1009 B9R1.13 CC(=O)Cc1ccsc1 Amb6744886 [0,0,0,0,2,0|2,0,0]=4 1010 B9R1.13 CC(=O)Cc1cnco1 Amb33416893 [0,0,0,0,2,0|1,0,1]=4 1011 B9R1.13 CC(=O)Cc1cncs1 Amb25887376 [0,0,0,0,2,0|1,0,1]=4 1012 B9R1.13 CC(=O)Cc1cnsn1 Amb27475330 [0,0,0,0,2,0|1,0,1]=4 1013 B9R1.13 CC(=O)Cc1conn1 Amb27267147 [0,0,0,0,2,0|2,0,0]=4 1014 B9R1.13 CC(=O)Cc1cscn1 Amb26967074 [0,0,0,0,2,0|1,0,0]=3 1015 B9R1.13 CC(=O)Cc1csnn1 Amb28120384 [0,0,0,0,2,0|2,0,0]=4 1016 B9R1.13 CC(=O)Cc1nccs1 Amb6297701 [0,0,0,0,2,0|2,0,0]=4 1017 B9R1.13 CC(=O)Cc1ncon1 Amb25758852 [0,0,0,0,2,0|2,0,0]=4 1018 B9R1.13 CC(=O)Cc1ncsn1 Amb18202586 [0,0,0,0,2,0|2,0,0]=4 1019 B9R1.13 CC(=O)Cn1cccn1 Amb1092543 [0,0,0,0,2,0|2,0,0]=4 1020 B9R1.13 CC(=O)Cn1cccn1 Amb21988437 [0,0,0,0,2,0|2,0,0]=4 1021 B9R1.13 CC(=O)Cn1cncn1 Amb22284176 [0,0,0,0,2,0|1,0,1]=4 1022 B9R1.13 CC(=O)Cn1cncn1 Amb33534624 [0,0,0,0,2,0|1,0,1]=4 1023 B9R1.13 CC(=O)Nc1ccco1 Amb2611741 [0,0,0,0,2,0|2,0,0]=4 1024 B9R1.13 CC(=O)Nc1cccs1 Amb2228309 [0,0,0,0,2,0|2,0,0]=4 1025 B9R1.13 CC(=O)Nc1ccon1 Amb25868303 [0,0,0,0,2,0|2,0,0]=4 1026 B9R1.13 CC(=O)Nc1ccsc1 Amb4036279 [0,0,0,0,2,0|2,0,0]=4 1027 B9R1.13 CC(=O)Nc1cscn1 Amb6298641 [0,0,0,0,2,0|1,0,0]=3 1028 B9R1.13 CC(=O)Nc1ncco1 Amb27614332 [0,0,0,0,2,0|2,0,0]=4 1029 B9R1.13 CC(=O)Nc1nccs1 Amb6336321 [0,0,0,0,2,0|2,0,0]=4 1030 B9R1.13 CC(=O)Nc1ncns1 Amb23412318 [0,0,0,0,2,0|1,0,1]=4 1031 B9R1.13 CC(=O)Nc1ncon1 Amb28122006 [0,0,0,0,2,0|2,0,0]=4 1032 B9R1.13 CC(=S)Nc1cscn1 Amb27659463 [0,0,0,0,2,0|1,1,0]=4 1033 B9R1.13 NC(=O)Cc1cscn1 Amb2610764 [0,0,0,0,2,0|2,0,0]=4 1034 B9R1.13 O=C(O)Cc1cocn1 Amb8009408 [0,0,0,0,2,0|2,0,0]=4 1035 B9R1.13 O=C(O)Cc1cscn1 Amb17039671 [0,0,0,0,2,0|2,0,0]=4 1036 B9R1.13 O=C(O)Cc1cscn1 Amb33537693 [0,0,0,0,2,0|2,0,0]=4 1037 B11R1.28 CCNCCc1ccccn1 Amb33527538 [1,0,0,0,0,1|1,0,1]=4 1038 B11R1.28 CCNCCc1ccncn1 Amb27670958 [1,0,0,0,0,1|0,0,2]=4 1039 B11R1.28 CCNCCc1ncccn1 Amb19028710 [1,0,0,0,0,1|1,0,1]=4 1040 B11R1.28 CONCCc1cccnc1 Amb27987592 [1,0,0,0,0,1|2,0,0]=4 1041 B11R1.28 O=CCCCc1ccccn1 Amb22897023 [1,0,0,0,0,1|2,0,0]=4 1042 B11R1.28 O=CCCCc1cccnc1 Amb24099514 [1,0,0,0,0,1|2,0,0]=4 1043 B11R1.28 O=CCCCc1ccncn1 Amb24099617 [1,0,0,0,0,1|1,0,1]=4 1044 B11R1.28 O=CCCCc1cnccn1 Amb26990640 [1,0,0,0,0,1|1,0,1]=4 1045 B11R1.28 O=CCCCc1cncnc1 Amb24063015 [1,0,0,0,0,1|1,0,1]=4 1046 B11R1.28 O=CCCCc1ncccn1 Amb24061342 [1,0,0,0,0,1|2,0,0]=4 1047 B13R1.337 CC(=O)NCC#Cc1ccccn1 Amb28454138 [0,0,0,0,0,2|1,0,1]=4 1048 B13R1.337 CC(=O)NCCNc1ccccc1 Amb18933018 [0,0,0,0,0,2|2,0,0]=4 1049 B13R1.337 CC(=O)NCCNc1cncnc1 Amb18932964 [0,0,0,0,0,2|0,0,1]=3 1050 B13R1.337 CC(=O)NCCOc1ccccc1 Amb22524794 [0,0,0,0,0,2|2,0,0]=4 1051 B13R1.337 CC(=O)NCCOc1cccnc1 Amb16229587 [0,0,0,0,0,2|1,0,0]=3 1052 B13R1.337 CC(=O)NCCSc1ccccn1 Amb6840550 [0,0,0,0,0,2|1,0,0]=3 1053 B13R1.337 CC(=O)NCCSc1ccncc1 Amb24073078 [0,0,0,0,0,2|1,0,1]=4 1054 B13R1.337 NC(=O)NCCNc1ccccn1 Amb27763333 [0,0,0,0,0,2|2,0,0]=4 1055 B13R1.337 NC(=O)NCCNc1ccncn1 Amb27454597 [0,0,0,0,0,2|1,0,1]=4 1056 B13R1.343 CC(=O)NCCNCc1ccco1 Amb6732511 [0,0,0,0,0,2|2,0,0]=4 1057 B13R1.343 CC(=O)NCCNCc1cccs1 Amb6732508 [0,0,0,0,0,2|2,0,0]=4 1058 B13R1.343 CC(=O)NCCNCc1ccsc1 Amb32652143 [0,0,0,0,0,2|2,0,0]=4 1059 B13R1.343 CC(=O)NCCNCc1ccsc1 Amb6732518 [0,0,0,0,0,2|2,0,0]=4