0 B15R2.32 CC1C(CCCN1C)C2=CC=CC=C2 PH012549 [0,0,0,0,0,0|1,0,0]=1 1 B14R2.24 ClC1COCOC1C2=CC=CC=C2 PH007709 [1,0,0,0,0,0|3,0,0]=4 2 B14R2.24 NC1CCCCC1C2=CC=CC=C2 PH012427 [1,0,0,0,0,0|3,0,0]=4 3 B14R2.24 NC1COCOC1C2=CC=CC=C2 PH013665 [1,0,0,0,0,0|3,0,0]=4 4 B14R2.24 NC1COCOC1C2=CC=CC=C2 PH018963 [1,0,0,0,0,0|3,0,0]=4 5 B14R2.24 OC1CCCCC1C2=CC=CC=C2 S456764 [1,0,0,0,0,0|3,0,0]=4 6 B14R2.24 OC1CCCCC1C2=CC=CC=C2 S459771 [1,0,0,0,0,0|3,0,0]=4 7 B16R2.257 CN1CCCC(C1(C)C)C2=CC=CC=C2 PH012550 [0,1,0,0,0,0|1,0,0]=2 8 B16R2.14401 CC1N(CCCC1(O)C2=CC=CC=C2)C PH007305 [0,1,0,0,0,0|1,0,0]=2 9 B16R2.14401 CC1N(CCOC1(O)C2=CC=CC=C2)C PH012558 [0,1,0,0,0,0|0,0,0]=1 10 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 PH011057 [0,0,1,0,0,0|3,0,0]=4 11 B14R2.4514 CC1C(=CCN1C)C2=CC=CC=C2 PH012736 [0,0,0,0,1,0|0,0,2]=3 12 B13R1.42 CN(CCN)CCC1=CC=CC=C1 PH014610 [1,0,1,0,0,0|1,0,0]=3 13 B13R1.44 O=C(CC1=CC=CC=C1)NCCO PH001912 [1,0,1,0,0,0|1,0,1]=4 14 B13R1.11 CCN(C)CC(O)C1=CC=CC=C1 PH014915 [1,0,1,0,0,0|0,0,0]=2 15 B13R1.47 CCCC(C)C(O)C1=CC=CC=C1 CDS018099 [1,0,1,0,0,0|1,0,0]=3 16 B13R1.152 C(C)(C1=CC=CC=C1)[C@@H](C)N(C)C S497436 [1,0,1,0,0,0|0,0,0]=2 17 B13R1.24 CCCCNC(C)C1=CC=CC=C1 R592528 [1,0,1,0,0,0|2,0,0]=4 18 B13R1.398 CCOC(OCC)C1=CC=CC=C1 PH011262 [1,0,1,0,0,0|2,0,0]=4 19 B13R1.532 CCC(C)C(CO)C1=CC=CC=C1 S377643 [1,0,1,0,0,0|2,0,0]=4 20 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S316024 [1,0,1,0,0,0|2,0,0]=4 21 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S332879 [1,0,1,0,0,0|2,0,0]=4 22 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494003 [1,0,1,0,0,0|2,0,0]=4 23 B13R1.532 CCC(O)C(CC)C1=CC=CC=C1 S494607 [1,0,1,0,0,0|2,0,0]=4 24 B13R1.337 CN(C)CCNCC1=CC=CC=N1 CDS017054 [1,0,1,0,0,0|2,0,0]=4 25 B13R2.3 C1=CC(=CN=C1)C2CNCCS2 PH014942 [2,0,0,0,0,0|1,1,0]=4 26 B13R2.3 C1=CC=C(C=C1)C2CCCNC2 CDS006181 [2,0,0,0,0,0|1,0,0]=3 27 B13R2.3 C1=CC=C(C=C1)C2COCCN2 CDS019264 [2,0,0,0,0,0|2,0,0]=4 28 B13R2.3 C1=CC=C(C=C1)C2CSCCN2 CDS010247 [2,0,0,0,0,0|2,0,0]=4 29 B13R2.3 C1=CC=C(C=C1)N2CCCNC2 PH012041 [2,0,0,0,0,0|2,0,0]=4 30 B15R1.5331 CN(C)CCSC(CO)C1=CC=CC=C1 S377597 [0,1,1,0,0,0|1,1,0]=4 31 B15R1.452 CCN(CC)CCNCC1=CC=CC=C1 S381861 [0,1,1,0,0,0|1,0,0]=3 32 B15R1.778 CN(CCCl)CCOCC1=CC=CC=C1 PH013793 [0,1,1,0,0,0|0,0,0]=2 33 B15R1.1321 CCC(=O)[C@@H](C)COCC1=CC=CC=C1 T290947 [0,1,1,0,0,0|2,0,0]=4 34 B15R2.27 CC1CN(NC(S1)C2=CC=CC=C2)C PH013310 [1,1,0,0,0,0|1,1,0]=4 35 B15R2.1113 CN1CCOC(C1)(O)C2=CC=CC=C2 PH012603 [1,1,0,0,0,0|0,0,0]=2 36 B15R2.21 CNC1CCCOC1C2=CC=CC=C2 PH008044 [1,1,0,0,0,0|1,0,0]=3 37 B15R2.367 CC1NCCCC1(O)C2=CC=CC=C2 PH012573 [1,1,0,0,0,0|1,0,0]=3 38 B15R2.541 CC1CCCN(C1C2=CC=CC=C2)C PH012522 [1,1,0,0,0,0|2,0,0]=4 39 B17R2.24238 CC(=O)N1CCOC(C1C)C2=CC=CC=C2 L479047 [0,2,0,0,0,0|0,0,0]=2 40 B17R2.2359 CC1C(OC(=O)C(=O)N1C)C2=CC=CC=C2 PH008081 [0,2,0,0,0,0|0,0,2]=4 41 B15R2.64 CC(CC1=CC=CC=C1)N2CCCC2 PH012445 [0,0,1,1,0,0|1,0,0]=3 42 B15R2.66 CCCC1OCC(O1)C2=CC=CC=C2 S941247 [0,0,1,1,0,0|2,0,0]=4 43 B15R2.66 CNCC1CCN(C1)C2=CC=CC=C2 CBR01195 [0,0,1,1,0,0|2,0,0]=4 44 B15R3.3 C1=CC2=C(C=C1)C3OCOCC3C2 R397474 [1,0,0,1,0,0|2,0,0]=4 45 B15R3.3 C1=CC=C2C(=C1)C[C@H]3[C@@H]2NCCO3 PH015990 [1,0,0,1,0,0|2,0,0]=4 46 B17R4.1570 C1=CC=C2C(=C1)C3CCC2C4C3CC4 T174564 [0,0,0,2,0,0|2,0,0]=4 47 B13R1.718 C[C@@H](CO)COCC1=CC=CC=C1 T252972 [0,0,1,0,1,0|2,0,0]=4 48 B13R2.15 CN1CCOC1C2=CC=CC=C2 T152714 [1,0,0,0,1,0|0,0,0]=2 49 B13R2.15 NN1CCCC1C2=CC=CC=C2 PH011021 [1,0,0,0,1,0|2,0,0]=4