0 B20R2.79822 CNCCC(c1ccccc1)Oc2ccccc2C Amb16232179 [0,0,0,0,0,0|0,0,0]=0 1 B20R2.79822 CNCCC(c1ccccc1)Oc2ccccc2C Amb17608541 [0,0,0,0,0,0|0,0,0]=0 2 B20R2.79822 CNCC[C@@H](c1ccccc1)Oc2ccccc2C Amb17608544 [0,0,0,0,0,0|0,0,0]=0 3 B20R2.79822 CNCC[C@@H](c1ccccc1)Oc2ccccc2C Amb2383481 [0,0,0,0,0,0|0,0,0]=0 4 B19R2.1884 Cc1ccccc1OC(CCN)c2ccccc2 Amb22371659 [1,0,0,0,0,0|0,0,0]=1 5 B19R2.1884 ClCCC(c1ccccc1)Oc2ccccc2C Amb17163575 [1,0,0,0,0,0|1,0,0]=2 6 B19R2.1884 ClCC[C@@H](c1ccccc1)Oc2ccccc2C Amb17611052 [1,0,0,0,0,0|1,0,0]=2 7 B19R2.1884 NCCC(c1ccccc1)Oc2ccccc2C Amb17612140 [1,0,0,0,0,0|0,0,0]=1 8 B19R2.2770 CCCCC(c1ccccc1)Nc2ccccc2 Amb10553215 [1,0,0,0,0,0|2,0,0]=3 9 B19R2.2770 CCCCN(c1ccccc1)Nc2ccccc2 Amb10560684 [1,0,0,0,0,0|3,0,0]=4 10 B21R2.2433 Cc1ccccc1O[C@@H](CCN=[N+]=[N-])c2ccccc2 Amb19130631 [0,1,0,0,0,0|1,0,1]=3 11 B21R2.39322 COc1ccccc1OC(CCNC)c2ccccc2 Amb22350309 [0,1,0,0,0,0|0,0,0]=1 12 B21R2.39322 COc1ccccc1OC(CCNC)c2ccccc2 Amb23594538 [0,1,0,0,0,0|0,0,0]=1 13 B21R2.106968 Cc1ccccc1OC(CCN(C)C)c2ccccc2 Amb22755943 [0,1,0,0,0,0|0,0,0]=1 14 B21R2.384591 CNCCC(c1ccccc1)Oc2ccc(cc2C)O Amb17615060 [0,1,0,0,0,0|0,0,0]=1 15 B21R3.238 Cc1ccccc1C2CNCCN2c3ccccc3 Amb17413841 [0,0,0,1,0,0|2,0,0]=3 16 B21R3.238 Clc1ccccc1C2CNCCN2c3ccccc3 Amb17420365 [0,0,0,1,0,0|3,0,0]=4 17 B21R3.238 Fc1ccccc1C2CNCCN2c3ccccc3 Amb17414758 [0,0,0,1,0,0|3,0,0]=4 18 B21R3.442178 Cc1ccccc1CN2CCNCc3c2cccc3 Amb17583688 [0,0,0,1,0,0|2,0,0]=3 19 B21R3.442178 Fc1ccccc1CN2CCNCc3c2cccc3 Amb17584265 [0,0,0,1,0,0|3,0,0]=4 20 B21R3.442232 Clc1ccccc1NC2(CCCC2)c3ccccc3 Amb18932492 [0,0,0,1,0,0|3,0,0]=4 21 B21R3.442232 Fc1ccccc1NC2(CCCC2)c3ccccc3 Amb18932496 [0,0,0,1,0,0|3,0,0]=4 22 B19R2.4625 Cc1ccccc1C(=CCNC)c2ccccc2 Amb24066781 [0,0,0,0,1,0|0,0,2]=3 23 B19R2.4625 Cc1ccccc1C(NCCO)c2ccccc2 Amb22270111 [0,0,0,0,1,0|3,0,0]=4 24 B18R2.358 OCCC(Sc1ccccc1)c2ccccc2 Amb23560227 [2,0,0,0,0,0|1,1,0]=4 25 B18R2.7830 Cc1[n]cccc1OC(CN)c2ccccc2 Amb24044992 [2,0,0,0,0,0|1,0,0]=3 26 B18R2.7830 Cc1ccc[n]c1NC(CC)c2ccccc2 Amb23946820 [2,0,0,0,0,0|2,0,0]=4 27 B18R2.7830 Cc1ccccc1OC(CN)c2c[n]ccc2 Amb23933648 [2,0,0,0,0,0|1,0,0]=3 28 B18R2.7830 Cc1ccccc1OC(CN)c2cc[n]cc2 Amb23934083 [2,0,0,0,0,0|1,0,0]=3 29 B18R2.7830 Cc1ccccc1OC(CN)c2cccc[n]2 Amb23933282 [2,0,0,0,0,0|1,0,0]=3 30 B18R2.7830 Cc1ccccc1SC(CN)c2c[n]ccc2 Amb23933787 [2,0,0,0,0,0|1,1,0]=4 31 B18R2.7830 Cc1ccccc1SC(CN)c2cc[n]cc2 Amb23934235 [2,0,0,0,0,0|1,1,0]=4 32 B18R2.7830 Cc1ccccc1SC(CN)c2cccc[n]2 Amb23933419 [2,0,0,0,0,0|1,1,0]=4 33 B18R2.7830 NCC(Oc1ccccc1Br)c2c[n]ccc2 Amb23933699 [2,0,0,0,0,0|2,0,0]=4 34 B18R2.7830 NCC(Oc1ccccc1Br)c2cc[n]cc2 Amb23934135 [2,0,0,0,0,0|2,0,0]=4 35 B18R2.7830 NCC(Oc1ccccc1Br)c2cccc[n]2 Amb23933331 [2,0,0,0,0,0|2,0,0]=4 36 B18R2.7830 NCC(Oc1ccccc1Cl)c2c[n]ccc2 Amb23933639 [2,0,0,0,0,0|2,0,0]=4 37 B18R2.7830 NCC(Oc1ccccc1Cl)c2cc[n]cc2 Amb23934072 [2,0,0,0,0,0|2,0,0]=4 38 B18R2.7830 NCC(Oc1ccccc1Cl)c2cccc[n]2 Amb23933275 [2,0,0,0,0,0|2,0,0]=4 39 B18R2.7830 NCC(Oc1ccccc1F)c2c[n]ccc2 Amb23933634 [2,0,0,0,0,0|2,0,0]=4 40 B18R2.7830 NCC(Oc1ccccc1F)c2cc[n]cc2 Amb23934068 [2,0,0,0,0,0|2,0,0]=4 41 B18R2.7830 NCC(Oc1ccccc1F)c2cccc[n]2 Amb23933272 [2,0,0,0,0,0|2,0,0]=4 42 B18R2.7830 NCC(Oc1ccccc1I)c2c[n]ccc2 Amb23933718 [2,0,0,0,0,0|2,0,0]=4 43 B18R2.7830 NCC(Oc1ccccc1I)c2cc[n]cc2 Amb23934154 [2,0,0,0,0,0|2,0,0]=4 44 B18R2.7830 NCC(Oc1ccccc1I)c2cccc[n]2 Amb23933350 [2,0,0,0,0,0|2,0,0]=4 45 B18R2.7830 NCC(c1ccccc1)Cc2ccccc2F Amb1063491 [2,0,0,0,0,0|2,0,0]=4 46 B18R2.7830 NCC(c1ccccc1)Cc2ccccc2N Amb17476545 [2,0,0,0,0,0|2,0,0]=4 47 B18R2.7830 NCC(c1ccccc1)Nc2ccccc2C Amb17406872 [2,0,0,0,0,0|1,0,0]=3 48 B18R2.7830 NCC(c1ccccc1)Nc2ccccc2Cl Amb17411830 [2,0,0,0,0,0|2,0,0]=4 49 B18R2.7830 NCC(c1ccccc1)Nc2ccccc2F Amb17407391 [2,0,0,0,0,0|2,0,0]=4 50 B18R2.7830 NCC(c1ccccc1)Oc2ccccc2C Amb17077704 [2,0,0,0,0,0|0,0,0]=2 51 B18R2.7830 NCC(c1ccccc1)Oc2ccccc2Cl Amb17077710 [2,0,0,0,0,0|1,0,0]=3 52 B18R2.7830 NCC(c1ccccc1)Oc2ccccc2F Amb17077707 [2,0,0,0,0,0|1,0,0]=3 53 B18R2.7830 NCC(c1ccccn1)Cc2ccccc2C Amb17247436 [2,0,0,0,0,0|2,0,0]=4 54 B18R2.7830 NCC(c1ccccn1)Nc2ccccc2C Amb17406983 [2,0,0,0,0,0|2,0,0]=4 55 B18R2.7830 NCC(c1cccnc1)Nc2ccccc2C Amb17406986 [2,0,0,0,0,0|2,0,0]=4 56 B18R2.7830 NCC(c1ccncc1)Nc2ccccc2C Amb17406989 [2,0,0,0,0,0|2,0,0]=4 57 B20R2.1493 ClCCC(c1ccccc1)Oc2ccccc2CC Amb17168585 [1,1,0,0,0,0|1,0,0]=3 58 B20R2.192782 NCCN(C(=O)c1ccccc1C)c2ccccc2 Amb17058122 [1,1,0,0,0,0|2,0,0]=4 59 B20R2.21885 CNCCOC(c1ccccc1C)c2ccccc2 Amb17597075 [0,1,0,0,1,0|0,0,0]=2 60 B20R2.21885 Cc1ccccc1C(NCCOC)c2ccccc2 Amb22269587 [0,1,0,0,1,0|1,0,0]=3 61 B20R2.21885 Cc1ccccc1C(OCC[NH2+]C)c2ccccc2 Amb20247556 [0,1,0,0,1,0|0,0,1]=3 62 B20R2.21885 ClNCCOC(c1ccccc1C)c2ccccc2 Amb17610984 [0,1,0,0,1,0|1,0,0]=3 63 B20R2.252075 CNC(=O)CC(c1ccccc1Cl)c2ccccc2 Amb11007933 [0,1,0,0,1,0|1,0,1]=4 64 B20R3.265 Cc1ccc[n]c1NC2CCCc3ccccc32 Amb23946839 [1,0,0,1,0,0|2,0,0]=4 65 B20R3.265 Cc1ccccc1CC2NCCc3ccccc32 Amb22227574 [1,0,0,1,0,0|2,0,0]=4 66 B20R3.265 Cc1ccccc1CN2CCNc3c2cccc3 Amb17254363 [1,0,0,1,0,0|2,0,0]=4 67 B20R3.265 Cc1ccccc1\N=C\2/CCCc3c2cccc3 Amb1014343 [1,0,0,1,0,0|1,0,1]=4 68 B20R3.265 Cc1ccccc1\N=C\2/CCCc3ccccc32 Amb19802289 [1,0,0,1,0,0|1,0,1]=4 69 B20R3.133151 Cc1[n]cccc1NC2CC(N)c3ccccc32 Amb24804412 [1,0,0,1,0,0|2,0,0]=4 70 B20R3.234917 CNCC1Nc2ccccc2Sc3ccccc31 Amb24309796 [1,0,0,1,0,0|2,0,0]=4 71 B20R3.42 C1NCCC(C1c2ccccc2)c3c[n]ccc3 Amb24031593 [1,0,0,1,0,0|2,0,0]=4 72 B20R3.42 c1ccc(cc1)N2CCNCC2c3ccccc3 Amb17409911 [1,0,0,1,0,0|2,0,0]=4 73 B20R3.13189 CN1CC\C(=N/c2ccccc2)\c3c1cccc3 Amb10563339 [1,0,0,1,0,0|1,0,1]=4 74 B20R3.30216 C1CCCC1(Nc2ccccc2)c3ccccc3 Amb18932503 [1,0,0,1,0,0|2,0,0]=4 75 B20R3.30216 c1ccc(cc1)CC2(CCNC2)c3ccccc3 Amb1790145 [1,0,0,1,0,0|1,0,0]=3 76 B20R3.30269 c1ccc(cc1)CN2CCNCc3c2cccc3 Amb17581846 [1,0,0,1,0,0|2,0,0]=4 77 B20R3.8056 Cc1ccccc1C(NC2CC2)c3ccccc3 Amb22266351 [0,0,0,1,1,0|2,0,0]=4 78 B22R3.26285 NCCN1Cc2ccccc2OC(C1)c3ccccc3 Amb24157871 [0,1,0,1,0,0|2,0,0]=4 79 B22R3.45326 Cc1ccc(cc1)N2CCNCC2c3ccccc3C Amb17418339 [0,1,0,1,0,0|2,0,0]=4 80 B22R3.45326 Fc1ccc(cc1)N2CCNCC2c3ccccc3C Amb17419551 [0,1,0,1,0,0|2,0,0]=4 81 B22R3.170 COc1ccccc1C2CNCCN2c3ccccc3 Amb17418911 [0,1,0,1,0,0|2,0,0]=4 82 B22R3.1248828 COc1ccccc1CN2CCNCc3ccccc23 Amb25428717 [0,1,0,1,0,0|2,0,0]=4 83 B22R3.1248909 COc1ccccc1NC2(CCCC2)c3ccccc3 Amb18269722 [0,1,0,1,0,0|2,0,0]=4 84 B22R3.48423 COC(=O)[C@@H]1Cc2ccccc2O[C@H]1c3ccccc3 Amb24312204 [0,1,0,1,0,0|1,0,1]=4 85 B22R3.16170584 CN(C)CCC1Cc2ccccc2Cc3ccccc13 Amb17943515 [0,1,0,1,0,0|1,0,0]=3 86 B22R3.6591517 Cc1cccc(C)c1NC2(CCCC2)c3ccccc3 Amb18932494 [0,1,0,1,0,0|2,0,0]=4 87 B18R2.40 CNCCN(c1ccccc1)c2ccccc2 Amb23580754 [1,0,0,0,1,0|1,0,0]=3 88 B20R2.1395 NCCN(Cc1ccccc1C)Cc2ccccc2 Amb17161973 [1,0,0,0,0,1|2,0,0]=4