0 B13R1.42 CCCC(=O)CCC1=CC=CC=C1 MC428315 [1,0,0,0,0,0|1,0,2]=4 1 B13R1.42 CCOC(=O)COC1=CC=CN=C1 CS19787 [1,0,0,0,0,0|2,0,1]=4 2 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 CS11144 [1,0,0,0,0,0|1,0,2]=4 3 B15R1.741 CC(CCl)NC(=O)OCC1=CC=CC=C1 MC106767 [0,1,0,0,0,0|2,0,1]=4 4 B15R1.741 COC(=O)CC(=O)\C=C\C1=CC=CC=C1 MC430692 [0,1,0,0,0,0|2,0,1]=4 5 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 CS11561 [0,1,0,0,0,0|2,0,1]=4 6 B15R1.3678 CC(C)C(N)C(=O)OCC1=CC=CC=C1 MC20664 [0,1,0,0,0,0|2,0,1]=4 7 B15R1.3678 CC(C)C(N)C(=O)OCc1ccccc1 MC438302 [0,1,0,0,0,0|2,0,1]=4 8 B15R1.8263 CC(C)NC(=O)NCC1=CC(Br)=CC=C1 MC112537 [0,1,0,0,0,0|2,0,1]=4 9 B15R2.1668 FC(F)OC1=CC2=CC=CC=C2C=C1 MC431732 [0,0,0,1,0,0|3,0,0]=4 10 B13R1.351 CC(N)C(=O)OCC1=CC=CC=C1 CS14334 [0,0,0,0,1,0|2,0,1]=4 11 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436155 [0,0,0,0,1,0|2,0,1]=4 12 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436157 [0,0,0,0,1,0|2,0,1]=4 13 B13R1.351 CC(N)C(=O)OCc1ccccc1 MC436158 [0,0,0,0,1,0|2,0,1]=4 14 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 MC437818 [0,0,0,0,1,0|2,0,1]=4 15 B12R1.27 COC(=O)CCC1=CC=CC=C1 MC433965 [2,0,0,0,0,0|0,0,2]=4 16 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS11380 [1,1,0,0,0,0|0,0,1]=3 17 B14R1.29 CCOC(=O)CC(=O)C1=CC=NC=C1 CS10017 [1,1,0,0,0,0|1,0,1]=4 18 B14R1.32 CCOC(=O)\C=C\C1=NC=CC(F)=C1 MC430430 [1,1,0,0,0,0|1,0,0]=3 19 B14R1.60 CCOC(=O)C(N)Cc1ccccc1 MC438087 [1,1,0,0,0,0|0,0,2]=4 20 B14R1.156 O=C(\C=C\C1=CC=CC=C1)NCCO MC445457 [1,1,0,0,0,0|1,0,0]=3 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|2,0,0]=4 31 B14R1.433 CC(C)(C)OC(=O)NC1=CC=CN=C1 MC427427 [0,1,0,0,1,0|2,0,0]=4 32 B14R1.433 CC(C)(C)OC(=O)NC1=CC=NC=C1 CS22473 [0,1,0,0,1,0|2,0,0]=4 33 B14R1.433 CC(C)(C)OC(=O)NC1=NC=CC=C1 MC442214 [0,1,0,0,1,0|2,0,0]=4 34 B14R1.3099 CC(C)(N)C(=O)OCC1=CC=CC=C1 MC436137 [0,1,0,0,1,0|1,0,1]=4 35 B14R1.3099 O=C(\C=C\C1=CC=CC=C1)C(F)(F)F MC430688 [0,1,0,0,1,0|2,0,0]=4 36 B16R1.7422 CC(C)(C)OC(=O)NCC1=C(N)C=CC=C1 CS20120 [0,2,0,0,0,0|1,0,1]=4 37 B16R1.12572 CC(C)(C)OC(=O)C(N)CC1=CC=CC=C1 CS11443 [0,2,0,0,0,0|0,0,2]=4 38 B16R1.12572 CC(C)(C)OC(=O)C(N)Cc1ccccc1 MC438083 [0,2,0,0,0,0|0,0,2]=4 39 B16R1.12572 CC(C)(C)OC(=O)C(N)Cc1ccccc1 MC439363 [0,2,0,0,0,0|0,0,2]=4 40 B16R1.1040 CC(C)(C)OC(=O)NCC1=CC=C(Br)C=C1 MC33023 [0,2,0,0,0,0|1,0,1]=4 41 B16R1.1040 CC(C)(C)OC(=O)\C=C\C1=CC=C(Br)C=C1 MC111946 [0,2,0,0,0,0|0,0,0]=2 42 B14R2.598 O=C1C=C(C2=CC=CC=C2)C(=O)O1 MC42028 [1,0,0,1,0,0|1,0,1]=4 43 B14R2.31359 CC(N)C1=CC=CC2=CC=CC=C21 CS14252 [1,0,0,1,0,0|2,0,0]=4 44 B14R2.31359 CC(O)C1=CC=CC2=CC=CC=C21 CS18766 [1,0,0,1,0,0|2,0,0]=4 45 B14R2.260 CC1CN(C2=CC=CC=C2)NC1=O CS10019 [0,0,0,1,1,0|2,0,0]=4 46 B14R2.1008 CC(C)OC1=CC=C2NC=CC2=C1 CS16678 [0,0,0,1,1,0|2,0,0]=4 47 B16R2.334 CC(C)(C)C1=C(N)C=CC2=CC=CC=C21 MC100316 [0,1,0,1,0,0|2,0,0]=4 48 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 CS21654 [0,1,0,1,0,0|2,0,0]=4 49 B12R1.32 CCOC(=O)CC1=NC=CC=C1 MC41619 [1,0,0,0,1,0|1,0,1]=4 50 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 CS15465 [1,0,0,0,0,1|0,0,2]=4 51 B14R1.520 CCOC(=O)COCC1=CC=CC=C1 MC103279 [1,0,0,0,0,1|0,0,2]=4 52 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 CS16805 [1,0,0,0,0,1|0,0,2]=4