0 B17R2.3417 NC1=CC=CC=C1C(=O)OC2CCCCC2 CNP0229421.0 [0,0,0,0,0,0|0,0,0]=0 1 B16R2.88 CN(CC1CCCCC1)C2=CC=CC=C2 CNP0328899.0 [1,0,0,0,0,0|3,0,0]=4 2 B16R2.88 O=C(C[C@@H]1CCCCN1)C2=CC=CC=C2 CNP0548809.1 [1,0,0,0,0,0|2,0,0]=3 3 B16R2.88 O=C(NC1CCCCC1)C2=CC=CC=C2 CNP0324336.0 [1,0,0,0,0,0|1,0,0]=2 4 B16R2.88 O=C(NC1CCCCC1)C2=CC=CN=C2 CNP0071291.0 [1,0,0,0,0,0|2,0,0]=3 5 B16R1.7596 CCC=CCCOC(=O)C1=CC=CC=C1N CNP0024271.0 [0,0,1,0,0,0|0,0,2]=3 6 B16R1.7596 CCC=CCCOC(=O)C1=CC=CC=C1O CNP0084845.0 [0,0,1,0,0,0|1,0,2]=4 7 B16R1.7596 CCCCCCOC(=O)C1=CC=CC=C1O CNP0084718.0 [0,0,1,0,0,0|1,0,0]=2 8 B18R3.10129065 C[C@@H]1CC2(CCCCC2)NC3=CC=CC=C13 CNP0372904.1 [0,0,0,1,0,0|2,0,1]=4 9 B18R3.10129065 C[C@H]1CC2(CCCCC2)NC3=CC=CC=C13 CNP0372904.2 [0,0,0,1,0,0|2,0,1]=4 10 B18R3.10129065 OC1=NC2(CCCCC2)NC3=CC=CC=C13 CNP0579096.0 [0,0,0,1,0,0|1,0,1]=3 11 B18R3.10129065 O[C@@H]1OC2(CCCCC2)CC3=CC=CC=C13 CNP0061177.2 [0,0,0,1,0,0|1,0,2]=4 12 B18R3.10129065 O[C@H]1OC2(CCCCC2)CC3=CC=CC=C13 CNP0061177.1 [0,0,0,1,0,0|1,0,2]=4 13 B18R2.3983 S=C(NC1=CC=CC=C1Cl)NC2CCCCC2 CNP0023772.0 [0,0,0,0,0,1|2,1,0]=4 14 B15R1.3965 CCCCCOC(=O)C1=CC=CC=C1Cl CNP0055636.0 [1,0,1,0,0,0|1,0,0]=3 15 B15R1.3965 CCCCCOC(=O)C1=CC=CC=C1O CNP0241972.0 [1,0,1,0,0,0|1,0,0]=3 16 B15R1.138 CCC=CCCOC(=O)C1=CC=CC=C1 CNP0400380.0 [1,0,1,0,0,0|0,0,2]=4 17 B15R1.138 CCCC=CCOC(=O)C1=CC=CC=C1 CNP0126026.0 [1,0,1,0,0,0|0,0,2]=4 18 B15R1.138 CCCCC=COC(=O)C1=CC=CC=C1 CNP0376412.0 [1,0,1,0,0,0|0,0,2]=4 19 B15R1.138 CCCCCCOC(=O)C1=CC=CC=C1 CNP0217855.0 [1,0,1,0,0,0|0,0,0]=2 20 B15R1.138 NCCCCCNC(=O)C1=CC=CC=C1 CNP0122246.0 [1,0,1,0,0,0|2,0,0]=4 21 B15R1.138 NCCCCCOC(=O)C1=CC=CC=C1 CNP0611531.0 [1,0,1,0,0,0|1,0,0]=3 22 B15R1.138 O=C(OCCOCCO)C1=CC=CC=C1 CNP0225671.0 [1,0,1,0,0,0|2,0,0]=4 23 B17R1.6947 CCCCCCCOC(=O)C1=CC=CC=C1Cl CNP0058010.0 [0,1,1,0,0,0|1,0,0]=3 24 B17R1.269097 CCCCCCCC(=O)C1=C(C=CC=C1O)O CNP0258964.0 [0,1,1,0,0,0|2,0,0]=4 25 B17R2.192 CC1=CC=C(C=C1)C(=O)NC2CCCCC2 CNP0071016.0 [1,1,0,0,0,0|1,0,0]=3 26 B19R2.3385 N#CC1=CC=CC=C1NC(=O)NC2CCCCC2 CNP0026422.0 [0,1,0,0,0,1|1,0,1]=4 27 B17R2.93083 CCCCC1(CC2=CC=CC=C2C(=O)N1)C CNP0410024.0 [0,0,1,1,0,0|2,0,0]=4 28 B17R2.339897 O=C1O[C@@H](CC2=CC=CC(=C12)O)CCCO CNP0071861.1 [0,0,1,1,0,0|2,0,0]=4 29 B17R2.12072 CCCCCC1=CC(=O)C2=CC=CC=C2N1 CNP0515230.0 [0,0,1,1,0,0|1,0,1]=4 30 B17R3.8 C1=CC=C2C(=CNC2=C1)C3CCNCC3 CNP0397782.0 [0,0,0,1,1,0|2,0,0]=4 31 B17R3.74 O=C1C2=CC=CC=C2C[C@@]13CCCCO3 CNP0410517.1 [0,0,0,1,1,0|2,0,0]=4 32 B17R3.74 O=C1C2=CC=CC=C2C[C@]13CCCCO3 CNP0410517.2 [0,0,0,1,1,0|2,0,0]=4 33 B17R3.35227 O=C1C2=CC=CC=C2C[C@@H]3N1CCCC3 CNP0109783.2 [0,0,0,1,1,0|2,0,0]=4 34 B17R3.35227 O=C1C2=CC=CC=C2C[C@H]3N1CCCC3 CNP0109783.1 [0,0,0,1,1,0|2,0,0]=4 35 B19R3.2370 C1=CC=C2C(=CNC2=C1)CNC3CCCCC3 CNP0563907.0 [0,0,0,1,0,1|2,0,0]=4 36 B19R3.9171 O=C1O[C@@H](CC2=CC=CC=C12)C3CCCCC3 CNP0055167.2 [0,0,0,1,0,1|1,0,0]=3 37 B19R3.9171 O=C1O[C@H](CC2=CC=CC=C12)C3CCCCC3 CNP0055167.1 [0,0,0,1,0,1|1,0,0]=3 38 B19R3.2188612 NC1=CC=CC=C1C(=O)N2O[C@@H]3C=C[C@H]2CC3 CNP0071193.1 [0,0,0,1,0,1|0,0,2]=4 39 B19R3.6048 O=C1C2=CC=CC=C2N=CN1C3CCCCC3 CNP0252294.0 [0,1,0,1,0,0|1,0,1]=4 40 B19R3.7796391 O=C1CC2(CCCCC2)OC3=CC=C(C=C13)O CNP0349453.0 [0,1,0,1,0,0|2,0,0]=4 41 B19R3.10072949 O=C1CC2(CCCCC2)OC3=CC(=CC=C13)O CNP0158748.0 [0,1,0,1,0,0|2,0,0]=4 42 B15R2.2226 O=C(C1=CC=CC=C1)N2CCCCC2 CNP0185237.0 [1,0,0,0,1,0|1,0,0]=3 43 B15R2.2226 O=C(C1=CC=CC=C1)N2CCOCC2 CNP0212941.0 [1,0,0,0,1,0|2,0,0]=4 44 B17R2.2342 O=C(C=CN1CCCCC1)C2=CC=CC=C2 CNP0055297.0 [1,0,0,0,0,1|2,0,0]=4 45 B17R2.2342 O=C(NCC1CCCCC1)C2=CC=CN=C2 CNP0071123.0 [1,0,0,0,0,1|2,0,0]=4