0 B22R3.11094439 CN1C(=O)CN=C(c2cc(Cl)ccc12)C=3CCCCC3 Amb22055275 [0,0,0,0,0,0|0,0,4]=4 1 B22R3.11094439 Cc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Amb1285986 [0,0,0,0,0,0|1,0,0]=1 2 B22R3.11094439 Nc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3 Amb17608194 [0,0,0,0,0,0|1,0,0]=1 3 B21R3.155200 CN1CCN=C(c2cc(Cl)ccc12)c3ccccc3 Amb22055659 [1,0,0,0,0,0|0,0,1]=2 4 B21R3.155200 Clc1ccc2c(c1)C(=NCCN2C)c3ccccc3 Amb2569680 [1,0,0,0,0,0|0,0,1]=2 5 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccc3 Amb1286193 [1,0,0,0,0,0|0,1,0]=2 6 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccn3 Amb17609903 [1,0,0,0,0,0|1,1,0]=3 7 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)C)c3ccccc3 Amb1301849 [1,0,0,0,0,0|1,0,0]=2 8 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb1560113 [1,0,0,0,0,0|0,0,0]=1 9 B21R3.157575 O=C1CN=C(c2c(N1)ccc(c2)N)c3ccccc3 Amb17608198 [1,0,0,0,0,0|1,0,0]=2 10 B21R3.157575 O=C1CN=C(c2cc(Cl)ccc2N1)c3ccccc3 Amb23523161 [1,0,0,0,0,0|0,0,0]=1 11 B21R3.157575 O=C1CN=C(c2cccc[n]2)c3cc(Cl)ccc3N1 Amb22395725 [1,0,0,0,0,0|1,0,0]=2 12 B21R3.157575 O=C1CNC(c2c(N1)ccc(c2)Br)c3ccccc3 Amb2583119 [1,0,0,0,0,0|0,1,2]=4 13 B21R3.157575 O=C1CNC(c2c(N1)ccc(c2)C)c3ccccc3 Amb1286058 [1,0,0,0,0,0|1,0,2]=4 14 B21R3.157575 O=C1CNC(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb1560118 [1,0,0,0,0,0|0,0,2]=3 15 B21R3.157575 O=C1CSC(c2cc(Cl)ccc2N1)c3ccccc3 Amb19893376 [1,0,0,0,0,0|1,0,1]=3 16 B23R3.2183713 CCN1C(=O)CN=C(c2cc(Cl)ccc12)c3ccccc3 Amb22054973 [0,1,0,0,0,0|0,0,0]=1 17 B23R3.17129146 CN1C(=O)CN=C(c2cc(Cl)ccc12)c3ccccc3Cl Amb22899174 [0,1,0,0,0,0|0,0,0]=1 18 B23R3.17129146 CN1C(=O)CN=C(c2cc(F)ccc12)c3ccccc3F Amb24099129 [0,1,0,0,0,0|0,1,0]=2 19 B23R3.17129146 CN1C(=O)CN=C(c2ccccc2F)c3cc(Br)ccc13 Amb22264453 [0,1,0,0,0,0|0,1,0]=2 20 B23R3.17129146 Clc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3F Amb13889653 [0,1,0,0,0,0|0,0,0]=1 21 B23R3.17129146 Nc1ccc2c(c1)C(=NCC(=O)N2C)c3ccccc3F Amb17608072 [0,1,0,0,0,0|1,0,0]=2 22 B23R3.71757705 Oc1ccc(cc1)C2=NCC(=O)N(c3c2cc(Cl)cc3)C Amb17615297 [0,1,0,0,0,0|0,0,0]=1 23 B23R3.90493228 Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c3ccccc3 Amb13889605 [0,1,0,0,0,0|0,0,0]=1 24 B21R3.7139910 CN1C(=O)C=C(c2cc(Cl)ccc12)c3ccccc3 Amb19517685 [0,0,0,0,1,0|0,0,1]=2 25 B21R3.7139910 CN1C(=O)N=C(c2cc(Cl)ccc12)c3ccccc3 Amb19521359 [0,0,0,0,1,0|0,0,0]=1 26 B21R3.7139910 CN1C(=S)N=C(c2cc(Cl)ccc12)c3ccccc3 Amb19910039 [0,0,0,0,1,0|0,1,0]=2 27 B23R3.10380878 Brc1ccc2c(c1)C(=NCCC(=O)N2C)c3ccccc3 Amb2569676 [0,0,0,0,0,1|0,1,0]=2 28 B20R2.4909 Nc1ccc(Cl)cc1C(=NCCO)c2ccccc2 Amb24080740 [1,0,1,0,0,0|0,0,2]=4 29 B20R2.15829 O=C(Nc1ccc(cc1)Cl)CNCc2ccccc2 Amb2443293 [1,0,1,0,0,0|0,0,2]=4 30 B20R2.15829 O=C(Nc1ccc(cc1)Cl)N\C=C\c2ccccc2 Amb2425145 [1,0,1,0,0,0|2,0,0]=4 31 B20R2.174731 CN(C(=O)CCSc1ccccc1)c2ccccc2 Amb20226452 [1,0,1,0,0,0|2,0,0]=4 32 B20R2.174731 CN(C(=O)CNCc1ccccc1)c2ccccc2 Amb20140979 [1,0,1,0,0,0|0,0,2]=4 33 B20R2.174731 CN(C(=O)COCc1ccccc1)c2ccccc2 Amb21621410 [1,0,1,0,0,0|1,0,1]=4 34 B20R2.18148 CNC(=O)COC(c1ccccc1)c2ccccc2 Amb11229462 [1,0,1,0,0,0|1,0,1]=4 35 B20R2.18148 CNC(=O)CSC(c1ccccc1)c2ccccc2 Amb10310513 [1,0,1,0,0,0|1,0,1]=4 36 B20R2.18148 COC(=O)CN=C(c1ccccc1)c2ccccc2 Amb2236086 [1,0,1,0,0,0|1,0,0]=3 37 B20R2.156004 CC(=O)Nc1ccc(Cl)cc1C(O)c2ccccc2 Amb21969726 [1,0,1,0,0,0|1,0,1]=4 38 B20R2.156004 CC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Br Amb1203172 [1,0,1,0,0,0|1,1,0]=4 39 B20R2.156004 CC(=O)Nc1ccc(cc1C(=O)c2ccccc2)Cl Amb2388756 [1,0,1,0,0,0|1,0,0]=3 40 B20R2.1577 NCC(=O)N(c1ccccc1Oc2ccccc2)C Amb17060311 [1,0,1,0,0,0|1,0,1]=4 41 B20R2.251829 O=C(CCl)Nc1ccc(Cl)cc1Oc2ccccc2 Amb22346619 [1,0,1,0,0,0|2,0,0]=4 42 B20R3.142678 Clc1cc2C(=NCCNc2cc1)c3ccccc3 Amb22473098 [2,0,0,0,0,0|0,0,1]=3 43 B20R3.5687 O=C1CCC(c2c(N1)cccc2)c3ccccc3 Amb10604273 [2,0,0,0,0,0|1,0,1]=4 44 B20R3.5687 O=C1CNC(c2ccccc2N1)c3ccccc3 Amb19516614 [2,0,0,0,0,0|0,0,2]=4 45 B20R3.5687 O=C1CSC(c2ccccc2N1)c3ccccc3 Amb22443695 [2,0,0,0,0,0|1,0,1]=4 46 B22R2.742330 CCN(C(=O)C\C=C\c1ccccc1)c2ccc(N)cc2 Amb24110312 [0,1,1,0,0,0|2,0,0]=4 47 B22R2.734691 ClCC(=O)N(c1ccc(cc1C(=O)c2ccccc2)Cl)C Amb16229492 [0,1,1,0,0,0|1,0,0]=3 48 B22R3.118192 NNC1=Nc2ccc(cc2C(=NC1)c3ccccc3)Cl Amb17610919 [1,1,0,0,0,0|1,0,1]=4 49 B22R3.5616688 Cc1ccccc1C2SCC(=O)Nc3ccc(Cl)cc32 Amb24083601 [1,1,0,0,0,0|1,0,1]=4 50 B22R3.5616688 Clc1ccc2c(c1)c(ncc(=O)n2)c3ccccc3Cl Amb15691227 [1,1,0,0,0,0|0,0,2]=4 51 B22R3.5616688 Clc1ccc2c(c1)c(ncc(=O)n2)c3ccccc3F Amb15690867 [1,1,0,0,0,0|0,0,2]=4 52 B22R3.5616688 O=C1CN=C(c2c(N1)ccc(c2)N)c3ccccc3Cl Amb17607967 [1,1,0,0,0,0|1,0,0]=3 53 B22R3.5616688 O=C1CN=C(c2ccccc2F)c3cc(Br)ccc3N1 Amb22264454 [1,1,0,0,0,0|0,1,0]=3 54 B22R3.5616688 O=C1CSC(c2cc(Cl)ccc2N1)c3ccccc3Cl Amb22369906 [1,1,0,0,0,0|1,0,1]=4 55 B22R3.5616688 O=[13C]1CN=C(c2c(N1)ccc(c2)Cl)c3ccccc3F Amb17614437 [1,1,0,0,0,0|0,0,0]=2 56 B22R3.5616688 S=C1CN=C(c2c(N1)ccc(c2)Br)c3ccccc3Cl Amb2583122 [1,1,0,0,0,0|0,2,0]=4 57 B22R3.10622968 CC1N=C(c2cc(Cl)ccc2NC1=O)c3ccccc3 Amb21927688 [1,1,0,0,0,0|0,0,0]=2 58 B22R3.10622968 O=C1Nc2ccc(cc2C(=NC1O)c3ccccc3)Br Amb1201996 [1,1,0,0,0,0|0,1,0]=3 59 B22R3.10622968 O=C1Nc2ccc(cc2C(=NC1O)c3ccccn3)Br Amb17615166 [1,1,0,0,0,0|1,1,0]=4 60 B22R3.10667510 O=C1CC(=O)N(c2c(N1)ccc(c2)Cl)c3ccccc3 Amb17612154 [1,1,0,0,0,0|2,0,0]=4 61 B22R3.10667510 O=C1C[N+](=C(c2c(N1)ccc(c2)Br)c3ccccc3)[O-] Amb2259768 [1,1,0,0,0,0|0,1,1]=4 62 B22R3.10667510 O=C1C[N+](=C(c2c(N1)ccc(c2)Cl)c3ccccc3)[O-] Amb1643912 [1,1,0,0,0,0|0,0,1]=3 63 B22R3.41037317 O=C1CN=C(c2c(N1)ccc(c2)Br)c3ccc(cc3)F Amb1291603 [1,1,0,0,0,0|0,1,0]=3 64 B22R3.41037317 O=C1CN=C(c2c(N1)ccc(c2)C)c3ccc(cc3)F Amb1292247 [1,1,0,0,0,0|1,0,0]=3 65 B22R3.41037317 O=C1CN=C(c2c(N1)ccc(c2)F)c3ccc(cc3)F Amb1292248 [1,1,0,0,0,0|0,1,0]=3 66 B22R3.41037317 O=C1CN=C(c2cc(Cl)ccc2N1)c3ccc(Cl)cc3 Amb22349905 [1,1,0,0,0,0|0,0,0]=2 67 B22R3.41727004 O=C1CN=C(c2c(N1)ccc(c2)Br)c3cccc(n3)C Amb17617236 [1,1,0,0,0,0|1,1,0]=4 68 B22R3.7265977 CN1C(=O)C(N)N=C(c2ccccc2)c3ccccc13 Amb19668060 [1,1,0,0,0,0|0,0,0]=2 69 B22R3.7265977 CN1C(=O)[C@@H](N)N=C(c2ccccc12)c3ccccc3 Amb22747544 [1,1,0,0,0,0|0,0,0]=2 70 B22R3.7265977 CN1c2ccccc2C(=N[C@@H]([NH3+])C1=O)c3ccccc3 Amb17871754 [1,1,0,0,0,0|0,0,0]=2 71 B22R3.11064001 CC=1C(=O)N(C)c2ccc(Cl)cc2C1c3ccccc3 Amb22455473 [0,1,0,0,1,0|0,0,1]=3 72 B24R3.7746212 CCN1C(=O)CCN=C(c2c1ccc(c2)Cl)c3ccccc3 Amb2569667 [0,1,0,0,0,1|0,0,0]=2 73 B24R3.15186376 Brc1ccc2c(c1)C(=NCCC(=O)N2C)c3ccccc3Cl Amb2569675 [0,1,0,0,0,1|0,1,0]=3 74 B24R3.115426255 Clc1ccc(cc1)C2=NCCC(=O)N(c3c2cc(Cl)cc3)C Amb2583414 [0,1,0,0,0,1|0,0,0]=2 75 B24R3.4655618 C#CCN1C(=O)CN=C(c2cc(Cl)ccc12)c3ccccc3 Amb22732006 [0,2,0,0,0,0|0,0,0]=2 76 B24R3.146984223 Clc1ccc2c(c1)C(=NC(C(=O)N2C)O)c3ccccc3Cl Amb17616574 [0,2,0,0,0,0|0,0,0]=2 77 B24R3.11768425 CN1c2ccc(cc2C(=NCC1=O)c3ccccc3)[N+]([O-])=O Amb22055908 [0,2,0,0,0,0|1,0,0]=3 78 B24R3.160238519 CN1C(=O)CN=C(c2ccccc2)c3cc(ccc13)N=C=S Amb22055589 [0,2,0,0,0,0|1,0,0]=3 79 B20R2.15226 CN(C(=O)COc1ccccc1)c2ccc(F)cc2 Amb23306055 [0,0,1,0,1,0|1,1,0]=4 80 B20R2.15226 ON(C(=O)CNc1ccccc1)c2ccc(Cl)cc2 Amb22479138 [0,0,1,0,1,0|1,0,1]=4 81 B20R2.16880 CNC(=O)CC(c1cccc(c1)Cl)c2ccccc2 Amb11051891 [0,0,1,0,1,0|0,0,1]=3 82 B20R3.95897 O=C1CN=C(c2ccc[nH]2)c3cc(Cl)ccc3N1 Amb22733893 [1,0,0,0,1,0|1,0,0]=3 83 B20R3.145206 Cc1cc2C(=NC(=O)Nc2cc1)c3ccccc3 Amb19388676 [1,0,0,0,1,0|1,0,0]=3 84 B20R3.145206 Cc1ccc2c(c1)c(nc(=O)[nH]2)c3ccccc3 Amb1540666 [1,0,0,0,1,0|1,0,0]=3 85 B20R3.145206 Clc1ccc2c(c1)c(nc(=O)[nH]2)c3ccccc3 Amb1042744 [1,0,0,0,1,0|0,0,0]=2 86 B20R3.145206 O=C1C=C(c2cc(Br)ccc2N1)c3ccccc3 Amb22571819 [1,0,0,0,1,0|0,1,1]=4 87 B20R3.145206 O=C1C=C(c2cc(Cl)ccc2N1)c3ccccc3 Amb19372738 [1,0,0,0,1,0|0,0,1]=3 88 B20R3.145206 O=C1Nc2ccc(Br)cc2C(=N1)c3ccccc3 Amb19517610 [1,0,0,0,1,0|0,1,0]=3 89 B20R3.145206 O=C1Nc2ccc(Cl)cc2C(=N1)c3ccccc3 Amb19518295 [1,0,0,0,1,0|0,0,0]=2 90 B20R3.145206 O=C1Nc2ccc(Cl)cc2C(O1)c3ccccc3 Amb22468102 [1,0,0,0,1,0|1,0,1]=4 91 B20R3.145206 O=C1Nc2ccc(cc2C(C1)c3ccccc3)Br Amb17609981 [1,0,0,0,1,0|0,1,1]=4 92 B20R3.145206 O=C1Oc2ccc(cc2C(C1)c3ccccc3)Cl Amb16754135 [1,0,0,0,1,0|1,0,1]=4 93 B20R3.145206 S=C1Nc2ccc(Cl)cc2C(=N1)c3ccccc3 Amb19805920 [1,0,0,0,1,0|0,1,0]=3 94 B20R3.242177 CN1C(=O)C=C(c2ccccc12)c3ccccc3 Amb19769688 [1,0,0,0,1,0|0,0,1]=3 95 B20R3.4678249 C[n]1c(=O)[n](-c2ccccc2)c3cc(Br)ccc13 Amb24071057 [0,0,0,0,2,0|1,1,0]=4 96 B22R2.23733 CN(Cc1ccc(Cl)cc1)C(=O)CCOc2ccccc2 Amb21521098 [0,0,1,0,0,1|2,0,0]=4 97 B22R2.23733 CN(Cc1ccc(Cl)cc1)C(=O)COCc2ccccc2 Amb20700447 [0,0,1,0,0,1|1,0,1]=4