0 B18R3.5893 O=C1CCCc2[nH]c([sH]c21)-c3c[n]ccc3 Amb18561854 [0,0,0,0,0,0|4,0,0]=4 1 B18R3.5893 O=C1CCCc2[nH]c([sH]c21)-c3cc[n]cc3 Amb18561855 [0,0,0,0,0,0|2,0,0]=2 2 B18R3.5893 O=C1CCCc2[nH]c([sH]c21)-c3cccc[n]3 Amb18561853 [0,0,0,0,0,0|4,0,0]=4 3 B18R3.5893 O=C1CCCc2[nH]c(cc21)-c3ccccc3 Amb24081241 [0,0,0,0,0,0|2,0,0]=2 4 B18R3.5893 O=C1CCCc2c1sc(n2)c3ccccc3 Amb13951699 [0,0,0,0,0,0|3,0,1]=4 5 B18R3.5893 O=C1CCCc2oc([n]c21)-c3ccccc3 Amb22495624 [0,0,0,0,0,0|4,0,0]=4 6 B18R3.5893 O=C1NC=C[n]2[n]c(cc21)-c3cc[n]cc3 Amb19860270 [0,0,0,0,0,0|1,0,3]=4 7 B18R3.5893 O=C1NC=Nc2[s]c(cc21)-c3ccccc3 Amb18011196 [0,0,0,0,0,0|3,0,1]=4 8 B18R3.5893 O=C1NCCc2[nH]c(cc21)-c3cc[n]cc3 Amb22170044 [0,0,0,0,0,0|0,0,0]=0 9 B18R3.5893 O=C1NCCc2[nH]c(cc21)-c3cc[n]cc3 Amb22395960 [0,0,0,0,0,0|0,0,0]=0 10 B18R3.5893 O=C1NCCc2oc(cc21)-c3ccccc3 Amb24273692 [0,0,0,0,0,0|2,0,0]=2 11 B18R3.5893 O=C1NN=Nc2[s]c(cc21)-c3ccccc3 Amb17999632 [0,0,0,0,0,0|4,0,0]=4 12 B18R3.5893 O=c1[nH]cnc2c1cc(s2)c3ccccc3 Amb1543921 [0,0,0,0,0,0|3,0,1]=4 13 B17R3.8708 C1NCCc2[nH]c(cc21)-c3ccccc3 Amb21864597 [1,0,0,0,0,0|1,0,1]=3 14 B17R3.8708 n1ccc(cc1)c2cc3c([nH]2)cccc3 Amb2234722 [1,0,0,0,0,0|1,0,2]=4 15 B17R3.8708 n1ccc(cc1)c2cc3c([nH]2)nccc3 Amb13885229 [1,0,0,0,0,0|2,0,1]=4 16 B19R3.3835 O=C1NC=Nc2[nH]c(cc21)-c3ccc(Br)cc3 Amb22007799 [0,1,0,0,0,0|2,0,1]=4 17 B19R3.3938 Clc1nccc(c1)c2cc3c([nH]2)CCNC3=O Amb15693370 [0,1,0,0,0,0|0,0,0]=1 18 B19R3.9012 CC1=NNC(=O)c2[n]c([nH]c21)-c3cc[n]cc3 Amb20665689 [0,1,0,0,0,0|2,0,1]=4 19 B19R3.9012 OC1CNC(=O)c2cc([n][n]21)-c3ccccc3 Amb22435279 [0,1,0,0,0,0|2,0,1]=4 20 B19R3.150524 O=C1CCCc2c1nc(n2O)c3ccccc3 Amb2227134 [0,1,0,0,0,0|3,0,0]=4 21 B17R2.172 CCNC(=O)c1cc(o[n]1)-c2ccccc2 Amb21542191 [0,0,1,0,0,0|3,0,0]=4 22 B17R2.172 CCNC(=O)c1csc(n1)c2ccccc2 Amb160041 [0,0,1,0,0,0|3,0,0]=4 23 B17R2.172 CCNC(=O)c1n[nH]c(c1)c2ccccc2 Amb11248691 [0,0,1,0,0,0|2,0,0]=3 24 B17R2.172 CCNC(=O)c1scc(n1)c2ccncc2 Amb16285055 [0,0,1,0,0,0|3,0,0]=4 25 B17R2.172 CCOC(=O)c1c[nH]c(c1)-c2ccccc2 Amb21963486 [0,0,1,0,0,0|2,0,0]=3 26 B17R2.172 CCOC(=O)c1c[n]([n]c1)-c2cc[n]cc2 Amb22494554 [0,0,1,0,0,0|2,0,1]=4 27 B17R2.172 CCOC(=O)c1csc(n1)c2ccncc2 Amb2414724 [0,0,1,0,0,0|3,0,0]=4 28 B17R2.172 CCOC(=O)c1n[nH]c(c1)c2ccccc2 Amb1041274 [0,0,1,0,0,0|3,0,0]=4 29 B17R2.172 CONC(=O)c1cc([nH][n]1)-c2ccccc2 Amb20922353 [0,0,1,0,0,0|3,0,0]=4 30 B17R2.268 O=CNCCc1scc(n1)c2ccccc2 Amb1982025 [0,0,1,0,0,0|2,0,1]=4 31 B17R2.575 CNC(=O)c1oc(nc1C)c2ccccc2 Amb2434600 [0,0,1,0,0,0|2,0,1]=4 32 B17R2.575 CNC(=O)c1sc(nc1C)c2ccccc2 Amb248616 [0,0,1,0,0,0|2,0,1]=4 33 B17R2.575 COC(=O)c1sc(nc1C)c2ccncc2 Amb17345973 [0,0,1,0,0,0|2,0,1]=4 34 B17R2.2607 CCc1nc(sc1C(=O)N)c2ccccc2 Amb17144419 [0,0,1,0,0,0|2,0,1]=4 35 B17R2.2607 CCc1nc(sc1C(=O)O)c2ccncc2 Amb17308126 [0,0,1,0,0,0|2,0,1]=4 36 B17R2.2607 CSc1[nH]c(cc1C(=O)C)c2ccccc2 Amb1810245 [0,0,1,0,0,0|3,0,0]=4 37 B17R2.3426 O=C(\C=C\1/NCCNC1=O)c2ccccc2 Amb19518634 [0,0,1,0,0,0|3,0,0]=4 38 B17R2.3426 O=C(c1ccccc1)\C=C/2\NCCNC2=O Amb1046996 [0,0,1,0,0,0|3,0,0]=4 39 B17R2.5293 S=C(c1ccccc1)NC2=CC(=O)CCC2 Amb10563263 [0,0,1,0,0,0|3,0,0]=4 40 B19R3.8275 O=C1CCCc2[n]c([n]cc21)-c3ccccc3 Amb21965047 [0,0,0,0,0,1|2,0,1]=4 41 B19R3.8275 O=C1CCCc2c1cnc(n2)c3ccncc3 Amb1090434 [0,0,0,0,0,1|1,0,1]=3 42 B19R3.8275 O=C1CCCc2cc(ccc21)-c3cc[n]cc3 Amb22276803 [0,0,0,0,0,1|2,0,0]=3 43 B19R3.8275 O=C1CCCc2cc(ccc21)-c3ccccc3 Amb22230103 [0,0,0,0,0,1|3,0,0]=4 44 B19R3.8275 O=C1NCCc2cc(ccc21)-c3ccccc3 Amb18227357 [0,0,0,0,0,1|2,0,0]=3 45 B19R3.152686 O=C1CCCc2c1cc(cc2)c3ccccc3 Amb10555288 [0,0,0,0,0,1|3,0,0]=4 46 B19R3.152686 O=C1NC=Nc2ccc(cc21)-c3cc[n]cc3 Amb19102823 [0,0,0,0,0,1|2,0,1]=4 47 B19R3.152686 O=C1NCCc2ccc(cc21)-c3ccccc3 Amb18867317 [0,0,0,0,0,1|2,0,0]=3 48 B16R2.141 CNC(=O)c1csc(n1)c2ccncc2 Amb2414749 [1,0,1,0,0,0|2,0,0]=4 49 B16R2.141 COC(=O)c1c[nH]c([n]1)-c2cc[n]cc2 Amb25354217 [1,0,1,0,0,0|2,0,0]=4 50 B16R2.2888 CC(=O)c1sc([nH+]c1C)c2ccncc2 Amb2435684 [1,0,1,0,0,0|1,0,1]=4 51 B16R2.2888 CC(=O)c1sc(nc1C)c2ccncc2 Amb2435689 [1,0,1,0,0,0|1,0,1]=4 52 B16R2.2888 Cc1[nH]c(cc1C(C)=O)-c2cc[n]cc2 Amb22901105 [1,0,1,0,0,0|0,0,0]=2 53 B16R2.2888 Cc1[nH]c(cc1C(O)=O)-c2cc[n]cc2 Amb22901078 [1,0,1,0,0,0|1,0,0]=3 54 B16R2.2888 OC(=O)c1cc([nH]c1C)c2ccccc2 Amb17237244 [1,0,1,0,0,0|2,0,0]=4 55 B18R2.341 CCONC(=O)c1cc([nH]n1)c2ccccc2 Amb10706854 [0,1,1,0,0,0|2,0,0]=4 56 B18R2.362 CCN(C)C(=O)c1cc([nH][n]1)-c2ccccc2 Amb21808035 [0,1,1,0,0,0|2,0,0]=4 57 B18R2.3766 CC(C)NC(=O)c1cc([nH][n]1)-c2cc[n]cc2 Amb20591676 [0,1,1,0,0,0|1,0,0]=3 58 B18R2.3766 CC(NC(=O)c1csc(n1)c2ccncc2)C Amb17025341 [0,1,1,0,0,0|2,0,0]=4 59 B18R2.3766 CC(NC(=O)c1n[nH]c(c1)c2ccccc2)C Amb125806 [0,1,1,0,0,0|2,0,0]=4 60 B18R2.8097 CCOC(=O)c1c[nH]c(c1)-c2ccccc2F Amb24183938 [0,1,1,0,0,0|2,0,0]=4 61 B18R2.8107 CCNC(=O)c1sc(nc1C)c2ccncc2 Amb16774152 [0,1,1,0,0,0|1,0,1]=4 62 B18R2.8107 CCOC(=O)c1cc([nH]c1N)c2ccncc2 Amb17133518 [0,1,1,0,0,0|1,0,0]=3 63 B18R2.8107 CCOC(=O)c1cc([s]c1N)-c2cc[n]cc2 Amb23536224 [0,1,1,0,0,0|2,0,0]=4 64 B18R2.81634 CCNC(=O)c1snc(c1N)c2ccncc2 Amb16302181 [0,1,1,0,0,0|1,0,1]=4 65 B18R2.7034 CC(=O)NCCc1scc(n1)c2ccncc2 Amb16823750 [0,1,1,0,0,0|1,0,1]=4 66 B18R2.288 CNC(=O)c1cc(oc1C)c2ccc(cc2)Cl Amb10790042 [0,1,1,0,0,0|2,0,0]=4 67 B18R2.9421 Cc1c(cc(-c2ccccc2)[n]1C)C(=O)NC Amb20369074 [0,1,1,0,0,0|1,0,0]=3 68 B18R2.9421 Cc1c(cc(-c2ccccc2)[n]1C)C(=O)OC Amb19651876 [0,1,1,0,0,0|2,0,0]=4 69 B18R2.38727 CN(C(=O)c1sc(nc1C)c2ccncc2)C Amb16773066 [0,1,1,0,0,0|1,0,1]=4 70 B18R2.7096 CC(c1[nH]c(cc1C(=O)O)c2ccccc2)C Amb17248515 [0,1,1,0,0,0|2,0,0]=4 71 B20R3.247868 O=C1NCCC=2N=C(NC(=O)C12)c3ccccc3 Amb23455769 [0,1,0,0,0,1|1,0,1]=4 72 B20R3.2753246 Fc1ccc(cc1)c2nc3c([nH]2)CCCNC3=O Amb17655152 [0,1,0,0,0,1|2,0,0]=4 73 B20R3.2753246 O=C1NCCCc2[nH]c([n]c21)-c3ccc(Cl)cc3 Amb22318400 [0,1,0,0,0,1|2,0,0]=4 74 B20R3.2786028 O=C1NCCCc2[nH]c([n]c21)-c3cc(Cl)ccc3 Amb22313227 [0,1,0,0,0,1|2,0,0]=4 75 B20R3.87996 Fc1ccc(cc1)c2[nH]c3c(c2O)C(=O)CCC3 Amb1092011 [0,2,0,0,0,0|2,0,0]=4 76 B16R3.5988 C1CCc2[nH]c(cc21)-c3ccccc3 Amb22546248 [1,0,0,0,1,0|1,0,1]=4 77 B16R3.5988 C1CNc2cc([nH]c21)-c3ccccc3 Amb18191580 [1,0,0,0,1,0|1,0,0]=3 78 B16R3.5988 C1NCc2cc([nH]c21)-c3ccccc3 Amb24330522 [1,0,0,0,1,0|1,0,1]=4 79 B18R2.228 CCOC(=O)c1ccc(c[n]1)-c2cc[n]cc2 Amb23412467 [0,0,1,0,0,1|2,0,0]=4 80 B18R2.228 CCOC(=O)c1ccc(cc1)-c2cc[n]cc2 Amb24103835 [0,0,1,0,0,1|2,0,0]=4 81 B18R2.231 CCOC(=O)c1cc([n]cc1)-c2cc[n]cc2 Amb22886624 [0,0,1,0,0,1|1,0,1]=4 82 B18R2.9323 CNC(=O)c1cc(ccc1Cl)c2ccncc2 Amb11102993 [0,0,1,0,0,1|2,0,0]=4 83 B18R2.96424 COC(=O)C1=CC=C(NC1=O)c2cc[n]cc2 Amb20414103 [0,0,1,0,0,1|2,0,0]=4 84 B18R2.96424 Cc1[n]c([n]cc1C(=O)NN)-c2cc[n]cc2 Amb23003557 [0,0,1,0,0,1|1,0,1]=4 85 B18R2.96424 Cc1[n]c(ccc1C(=O)NC)-c2ccccc2 Amb21406633 [0,0,1,0,0,1|1,0,1]=4 86 B18R2.96424 Cc1[n]c(ccc1C(=O)OC)-c2cc[n]cc2 Amb24115777 [0,0,1,0,0,1|1,0,1]=4 87 B18R2.2584 COc1ccc(cc1C(=O)N)c2ccncc2 Amb11053699 [0,0,1,0,0,1|2,0,0]=4 88 B18R3.4180 O=C1NCc2[n]c(ccc21)-c3ccccc3 Amb24083438 [0,0,0,0,1,1|1,0,1]=4 89 B18R3.4180 O=C1NNc2[n]c(ccc21)-c3cc[n]cc3 Amb20661911 [0,0,0,0,1,1|1,0,1]=4 90 B20R3.13942 O=C1NCCCc2c1nc([nH]2)Cc3ccncc3 Amb17654406 [0,0,0,0,0,2|1,0,0]=3