0 B21R2.257631 O=C(CCOCc1ccccc1)OCc2ccccc2 Amb26478022 [0,0,0,0,0,0|3,0,1]=4 1 B21R2.257631 O=C(CCc1ccccc1)OCCCc2ccccc2 Amb24094185 [0,0,0,0,0,0|0,0,2]=2 2 B21R2.257631 O=C(\C=C\c1ccccc1)OCCCc2ccccc2 Amb4315323 [0,0,0,0,0,0|0,0,0]=0 3 B21R2.257631 O=C(\C=C\c1ccccc1)OC\C=C\c2ccccc2 Amb533688 [0,0,0,0,0,0|0,0,2]=2 4 B22R2.4392 Nc1ccc(NCCNC(=O)\C=C\c2ccccc2)cn1 Amb18101805 [0,1,0,0,0,0|3,0,0]=4 5 B22R2.4392 Nc1ccc(NCCNC(=O)\C=C\c2ccccc2)nc1 Amb18101685 [0,1,0,0,0,0|3,0,0]=4 6 B22R2.9164 Nc1cccnc1NCCNC(=O)\C=C\c2ccccc2 Amb18101618 [0,1,0,0,0,0|3,0,0]=4 7 B22R2.34114 O=C(\C=C\c1ccccc1)OC(=O)\C=C\c2ccccc2 Amb19515978 [0,1,0,0,0,0|0,0,3]=4 8 B22R2.34137 NC(CNC(=O)OCc1ccccc1)Cc2ccccc2 Amb34913811 [0,1,0,0,0,0|2,0,1]=4 9 B22R2.34137 N[C@@H](CNC(=O)OCc1ccccc1)Cc2ccccc2 Amb34913813 [0,1,0,0,0,0|2,0,1]=4 10 B22R2.359951 O=C(CCCCc1ccccc1)N(O)Cc2ccccc2 Amb24073634 [0,1,0,0,0,0|2,0,1]=4 11 B22R2.359951 O=C(NCCCc1ccccc1)C(=O)Nc2cccnc2 Amb5484900 [0,1,0,0,0,0|3,0,0]=4 12 B22R3.32540 O=C1CNc2ccccc2N1CCCc3ccccc3 Amb17468878 [0,0,0,1,0,0|2,0,1]=4 13 B22R3.63876 O=C(OCc1ccccc1)N2C[C@@H]2Cc3ccccc3 Amb31307775 [0,0,0,1,0,0|2,0,1]=4 14 B22R3.63943 O=C(CNc1ccccc1)N2CCCc3ccccc32 Amb17098465 [0,0,0,1,0,0|2,0,1]=4 15 B22R3.63943 O=C(NCc1ccccc1)C2CCCc3ccccc32 Amb8210838 [0,0,0,1,0,0|2,0,1]=4 16 B22R3.63943 O=C(OCc1ccccc1)N2CCCc3ccccc32 Amb25092828 [0,0,0,1,0,0|2,0,1]=4 17 B22R3.63949 O=C(NC1CCc2ccccc21)OCc3ccccc3 Amb27229608 [0,0,0,1,0,0|2,0,1]=4 18 B22R3.63949 O=C(NCc1ccccc1)NC2CCc3ccccc32 Amb11259518 [0,0,0,1,0,0|2,0,1]=4 19 B22R3.74239 c1ccc(NCCOc2ccc3ccccc3c2)nc1 Amb17100508 [0,0,0,1,0,0|3,0,0]=4 20 B20R2.10810 O=C(Cc1ccccc1)OCCCc2ccccc2 Amb24056048 [0,0,0,0,1,0|0,0,1]=2 21 B20R2.174735 O=C(CCc1ccccc1)NCCc2ccccc2 Amb6879409 [0,0,0,0,1,0|1,0,2]=4 22 B20R2.174735 O=C(CNCc1ccccc1)OCc2ccccc2 Amb27208450 [0,0,0,0,1,0|2,0,1]=4 23 B20R2.174735 O=C(CNc1ccccc1)NCCc2ccccc2 Amb10672204 [0,0,0,0,1,0|2,0,1]=4 24 B20R2.174735 O=C(COCc1ccccc1)OCc2ccccc2 Amb17608937 [0,0,0,0,1,0|2,0,1]=4 25 B20R2.174735 O=C(COc1ccccc1)NCCc2ccccc2 Amb2456829 [0,0,0,0,1,0|2,0,1]=4 26 B20R2.174735 O=C(\C=C\c1ccccc1)NCCc2cncnc2 Amb23603441 [0,0,0,0,1,0|3,0,0]=4 27 B20R2.174735 O=C(\C=C\c1ccccc1)OCCc2ccccc2 Amb4030100 [0,0,0,0,1,0|0,0,0]=1 28 B21R2.27931 O=C(\C=C\c1ccco1)NCC(O)Cc2ccccc2 Amb21941937 [0,1,0,0,1,0|2,0,0]=4 29 B21R2.27931 O=C(\C=C\c1ccoc1)NCC(O)Cc2ccccc2 Amb22702514 [0,1,0,0,1,0|2,0,0]=4 30 B21R2.27931 O=C(\C=C\c1ccsc1)NCC(O)Cc2ccccc2 Amb21941948 [0,1,0,0,1,0|2,0,0]=4 31 B21R2.257886 O=C(\C=C\c1ccccc1)NCCC(O)c2ccco2 Amb22643689 [0,1,0,0,1,0|2,0,0]=4 32 B21R2.257886 O=C(\C=C\c1ccccc1)NCCC(O)c2cccs2 Amb21941827 [0,1,0,0,1,0|2,0,0]=4 33 B21R2.257886 O=C(\C=C\c1ccccc1)NCCC(O)c2ccoc2 Amb22687495 [0,1,0,0,1,0|2,0,0]=4 34 B21R2.257886 O=C(\C=C\c1ccccc1)NCCC(O)c2ccsc2 Amb28499127 [0,1,0,0,1,0|2,0,0]=4 35 B21R2.19000 O=C(\C=C\c1ccccc1)NCCc2ccc(O)cc2 Amb5799189 [0,1,0,0,1,0|1,0,0]=3 36 B21R2.27923 O=C(\C=C\c1ccccc1)OCC(=O)c2ccccc2 Amb6453820 [0,1,0,0,1,0|0,0,1]=3 37 B23R2.179301 O=C(\C=C\c1ccccc1)NCC(O)CN2C=CC=CC2=O Amb22644491 [0,2,0,0,0,0|2,0,0]=4 38 B23R2.38433 O=C(NCCC(O)c1ccccc1)C(=O)Nc2ccccc2 Amb21940439 [0,2,0,0,0,0|2,0,0]=4 39 B21R3.3124 c1ccc(CNCc2cccc3ccccc23)cc1 Amb1850855 [1,0,0,1,0,0|2,0,0]=4 40 B21R3.19837 O=C1Nc2ccccc2N1CCCc3ccccc3 Amb18538973 [0,0,0,1,1,0|2,0,0]=4 41 B21R3.21623 O=C1CCCC(c2ccccc2)=C1c3ccccc3 Amb2384064 [0,0,0,1,1,0|1,0,1]=4 42 B21R3.24493 O=C(Nc1ccccc1)N2CCCc3ccccc32 Amb1074657 [0,0,0,1,1,0|2,0,0]=4 43 B21R3.41553 O=C(\C=C\c1ccco1)N2CCCc3ccccc32 Amb6392587 [0,0,0,1,1,0|2,0,0]=4 44 B21R3.22167 O=C1C=Cc2ccccc2N1OCc3ccccc3 Amb25821319 [0,0,0,1,1,0|2,0,0]=4 45 B19R2.2628 C(=C\c1ccccc1)/CNCCc2ccccc2 Amb6455814 [1,0,0,0,1,0|1,0,1]=4 46 B19R2.8899 O=C(NCSCc1ccccc1)c2ccccc2 Amb21953428 [0,0,0,0,2,0|2,0,0]=4 47 B19R2.8899 O=C(OC\C=C\c1ccccc1)c2ccccc2 Amb17777843 [0,0,0,0,2,0|0,0,2]=4 48 B19R2.8900 O=C(CCCc1ccccc1)Nc2ccccc2 Amb2660640 [0,0,0,0,2,0|1,0,0]=3 49 B19R2.8900 O=C(Cc1ccccc1)NCCc2ccccc2 Amb2720817 [0,0,0,0,2,0|1,0,1]=4 50 B19R2.16162 O=C(CCc1ccccc1)CCc2ccccc2 Amb17940894 [0,0,0,0,2,0|0,0,2]=4 51 B19R2.16162 O=C(CCc1ccccc1)CCc2ccccc2 Amb33719267 [0,0,0,0,2,0|0,0,2]=4 52 B19R2.16162 O=C(CCc1ccccc1)NNc2ccccc2 Amb2775788 [0,0,0,0,2,0|2,0,0]=4 53 B19R2.16162 O=C(NCc1ccccc1)OCc2ccccc2 Amb5290122 [0,0,0,0,2,0|1,0,1]=4 54 B19R2.16162 O=C(NNc1ccccc1)OCc2ccccc2 Amb3987371 [0,0,0,0,2,0|2,0,0]=4 55 B19R2.16162 O=C(OCc1ccccc1)OCc2ccccc2 Amb4013588 [0,0,0,0,2,0|1,0,1]=4 56 B19R2.16162 O=C(\C=C\c1ccccc1)NCc2ccccc2 Amb576830 [0,0,0,0,2,0|1,0,0]=3 57 B19R2.16162 O=C(\C=C\c1ccccc1)NNc2ccccc2 Amb4081015 [0,0,0,0,2,0|2,0,0]=4 58 B19R2.16162 O=C(\C=C\c1ccccc1)OCc2ccccc2 Amb3097391 [0,0,0,0,2,0|0,0,0]=2 59 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb33716479 [0,0,0,0,2,0|0,0,2]=4 60 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb534881 [0,0,0,0,2,0|0,0,2]=4 61 B19R2.16162 O=C(\C=C\c1ccccc1)\C=C\c2ccccc2 Amb8389264 [0,0,0,0,2,0|0,0,2]=4 62 B19R2.16162 O=C(\C=C\c1cccnc1)NCc2ccccc2 Amb10706171 [0,0,0,0,2,0|2,0,0]=4 63 B21R2.257925 O=C(\C=C\c1ccco1)OCCNCc2ccccc2 Amb18929293 [0,0,0,0,1,1|1,0,0]=3