0 B14R1.156 NCCCC(=O)OCc1ccccc1 MC436009 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.156 NCCNC(=O)NCC1=CC=CC=C1 MC112506 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.156 NCCNC(=O)OCC1=CC=CC=C1 CS11001 [0,0,0,0,0,0|3,0,1]=4 3 B14R1.156 NCCNC(=O)OCc1ccccc1 MC438390 [0,0,0,0,0,0|3,0,1]=4 4 B14R1.156 O=C(NCCBr)OCC1=CC=CC=C1 CS13478 [0,0,0,0,0,0|3,0,1]=4 5 B14R1.156 O=C(NCCO)OCC1=CC=CC=C1 CS11002 [0,0,0,0,0,0|3,0,1]=4 6 B14R1.156 O=C(\C=C\C1=CC=CC=C1)NCCO MC445457 [0,0,0,0,0,0|2,0,0]=2 7 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [1,0,0,0,0,0|0,0,2]=3 8 B13R1.42 CCOC(=O)COC1=CC=CN=C1 CS19787 [1,0,0,0,0,0|2,0,1]=4 9 B13R1.42 CNCC(=O)OCc1ccccc1 MC438153 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.42 NCCC(=O)OCc1ccccc1 MC436156 [1,0,0,0,0,0|2,0,1]=4 11 B15R1.78 NCCCCC(=O)OCc1ccccc1 MC436192 [0,1,0,0,0,0|2,0,1]=4 12 B15R1.78 NCCCNC(=O)NCC1=CC=CC=C1 MC112507 [0,1,0,0,0,0|2,0,1]=4 13 B15R1.78 NCCCNC(=O)OCc1ccccc1 MC438393 [0,1,0,0,0,0|2,0,1]=4 14 B15R1.741 COC(=O)CC(=O)\C=C\C1=CC=CC=C1 MC430692 [0,1,0,0,0,0|2,0,1]=4 15 B15R1.826 CCCC(N)C(=O)OCc1ccccc1 MC438025 [0,1,0,0,0,0|2,0,1]=4 16 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [2,0,0,0,0,0|0,0,2]=4 17 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS11380 [1,1,0,0,0,0|0,0,1]=3 18 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 CS10017 [1,1,0,0,0,0|1,0,1]=4 19 B14R1.32 CCOC(=O)\C=C\C1=NC=CC(F)=C1 MC430430 [1,1,0,0,0,0|1,0,0]=3 20 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 MC438087 [1,1,0,0,0,0|0,0,2]=4 21 B14R1.502 CCOC(=O)C#Cc1ccc(Cl)cc1 MC434037 [1,1,0,0,0,0|0,0,2]=4 22 B14R1.502 CCOC(=O)CCC1=CC=C(Br)C=C1 CS12527 [1,1,0,0,0,0|0,0,2]=4 23 B14R1.502 CCOC(=O)CCC1=CC=C(F)C=C1 MC40041 [1,1,0,0,0,0|0,0,2]=4 24 B14R1.502 CCOC(=O)CCC1=CC=C(N)C=C1 MC442444 [1,1,0,0,0,0|0,0,2]=4 25 B14R1.502 CCOC(=O)CSC1=CC=C(O)C=C1 MC120175 [1,1,0,0,0,0|1,0,1]=4 26 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)N=C1 MC103307 [1,1,0,0,0,0|1,0,0]=3 27 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433908 [1,1,0,0,0,0|0,0,0]=2 28 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 MC431718 [1,1,0,0,0,0|0,0,0]=2 29 B14R1.598 CCOC(=O)COC1=C(O)C=CC=C1 MC443167 [1,1,0,0,0,0|1,0,1]=4 30 B14R1.756 COC(=O)C(=O)\C=C\C1=CC=CC=C1 MC430691 [1,1,0,0,0,0|1,0,1]=4 31 B16R1.7010 CCCCC(=O)NC(=O)C1=C(O)C=CC=C1 MC106118 [0,2,0,0,0,0|2,0,0]=4 32 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 CS11636 [1,0,0,1,0,0|2,0,0]=4 33 B14R2.21 O=C1CCCC(C2=CC=CC=C2)N1 MC116196 [1,0,0,1,0,0|1,0,1]=4 34 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 CS19646 [1,0,0,1,0,0|2,0,0]=4 35 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 MC42028 [1,0,0,1,0,0|1,0,1]=4 36 B16R2.3896 O=C1CCCCC1C(=O)C2=CC=CC=C2 MC443517 [0,1,0,1,0,0|1,0,1]=4 37 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [1,0,0,0,1,0|1,0,1]=4 38 B12R1.30 CCCOC(=O)C1=CC=CC=C1 CS11887 [0,0,0,0,2,0|0,0,0]=2 39 B12R1.30 O=C(OCCCl)C1=CC=CC=C1 MC40015 [0,0,0,0,2,0|1,0,0]=3