0 B13R1.337 CC(C)NCCCC1=CC=CC=C1 4024826 [0,0,0,0,0,0|2,0,1]=3 1 B13R1.337 CC(C)NCCCC1=CC=CC=C1 4089458 [0,0,0,0,0,0|2,0,1]=3 2 B13R1.337 CC(C)NCCOC1=CC=CC=C1 4024827 [0,0,0,0,0,0|3,0,1]=4 3 B13R1.337 CC(C)NCCOC1=CC=CC=C1 4089712 [0,0,0,0,0,0|3,0,1]=4 4 B13R1.337 CC(C)NCCSC1=CC=CC=C1 9071613 [0,0,0,0,0,0|3,0,1]=4 5 B13R1.337 NC(=O)CCNCC1=CC=CC=C1 5301711 [0,0,0,0,0,0|3,0,0]=3 6 B13R1.337 O=C(O)CCCCC1=CC=CN=C1 4073846 [0,0,0,0,0,0|3,0,0]=3 7 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 4091168 [0,0,0,0,0,0|3,0,0]=3 8 B13R1.337 O=C(O)CCNCC1=CC=CC=C1 5100474 [0,0,0,0,0,0|3,0,0]=3 9 B13R1.337 O=C(O)CCNCC1=CN=CC=C1 4011398 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.8 CCCNCCC1=CC=CC=C1 6382736 [1,0,0,0,0,0|2,0,1]=4 11 B12R1.8 CCNCCCC1=CC=CC=C1 4024844 [1,0,0,0,0,0|1,0,1]=3 12 B12R1.8 CCNCCOC1=CC=CC=C1 4088022 [1,0,0,0,0,0|2,0,1]=4 13 B12R1.8 CCNCCOC1=CC=CC=C1 9070430 [1,0,0,0,0,0|2,0,1]=4 14 B12R1.8 CNCCCOC1=CC=CC=C1 9071185 [1,0,0,0,0,0|3,0,0]=4 15 B12R1.8 CNCCCSC1=CC=CC=C1 4089624 [1,0,0,0,0,0|3,0,0]=4 16 B12R1.8 CNCCCSC1=CC=CC=C1 9070836 [1,0,0,0,0,0|3,0,0]=4 17 B14R1.420 CC(NCCC(=O)O)C1=CC=CC=C1 5267605 [0,1,0,0,0,0|3,0,0]=4 18 B14R1.677 O=C(O)CCSCC1=CC=C(F)C=C1 4022512 [0,1,0,0,0,0|3,0,0]=4 19 B14R2.2 O=C(O)CC1CCC2=CC=CC=C21 4016075 [0,0,0,1,0,0|2,0,0]=3 20 B14R2.19 O=C1CC(CC2=CC=CC=C2)CN1 4026758 [0,0,0,1,0,0|1,0,0]=2 21 B12R1.252 CC(C)CNCC1=CC=CC=C1 4014220 [0,0,0,0,1,0|2,0,1]=4 22 B12R1.252 CC(C)CNCC1=CC=CC=C1 4087867 [0,0,0,0,1,0|2,0,1]=4 23 B12R1.252 CC(C)NCCC1=CC=CC=C1 4024832 [0,0,0,0,1,0|2,0,1]=4 24 B12R1.252 CC(C)NCCC1=CC=CC=C1 4088731 [0,0,0,0,1,0|2,0,1]=4 25 B12R1.252 N=C(N)CCCC1=CC=CC=C1 4059893 [0,0,0,0,1,0|2,0,0]=3 26 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 4091220 [0,0,0,0,0,1|2,0,0]=3 27 B14R1.422 NC(=O)CCNCCC1=CC=CC=C1 5301488 [0,0,0,0,0,1|2,0,0]=3 28 B11R1.28 C=CCNCC1=CC=CC=C1 4090793 [2,0,0,0,0,0|1,0,1]=4 29 B11R1.28 C=CCNCC1=CC=CC=C1 9070780 [2,0,0,0,0,0|1,0,1]=4 30 B11R1.28 CNCCOC1=CC=CC=C1 4013938 [2,0,0,0,0,0|2,0,0]=4 31 B13R1.6 CCOCCOC1=CC=CC(N)=C1 4024087 [1,1,0,0,0,0|1,0,1]=4 32 B13R1.6 CCOCCOC1=CC=CC(N)=C1 4089225 [1,1,0,0,0,0|1,0,1]=4 33 B13R1.9 CCOCCOC1=CC=C(N)C=C1 4024085 [1,1,0,0,0,0|1,0,1]=4 34 B13R1.9 CCOCCOC1=CC=C(N)C=C1 4087895 [1,1,0,0,0,0|1,0,1]=4 35 B13R1.28 COCCCNCC1=CC=CC=C1 4004359 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.28 COCCCNCC1=CC=CC=C1 4089774 [1,1,0,0,0,0|2,0,0]=4 37 B13R1.555 CCOCCOC1=CC=CC=C1N 4024089 [1,1,0,0,0,0|1,0,1]=4 38 B13R1.555 CCOCCOC1=CC=CC=C1N 4089041 [1,1,0,0,0,0|1,0,1]=4 39 B13R1.45 CN(C)CCC(N)C1=CC=CC=C1 4013730 [0,1,0,0,1,0|2,0,0]=4 40 B13R1.158 CC1=C(CSCC(=O)O)C=CC=C1 6187574 [0,1,0,0,1,0|2,0,0]=4 41 B13R1.348 CN(CC(=O)O)CC1=CC=CC=C1 4110663 [0,1,0,0,1,0|2,0,0]=4 42 B13R1.351 CC(NCC1=CC=CC=C1)C(=O)O 6933119 [0,1,0,0,1,0|2,0,0]=4 43 B13R1.351 O=C(O)C(=O)CCC1=CC=CC=C1 4013598 [0,1,0,0,1,0|1,0,1]=4 44 B13R1.513 CC(=O)CCSC1=CC=C(F)C=C1 4011074 [0,1,0,0,1,0|1,0,0]=3 45 B13R1.513 O=C(O)CCCC1=CC=C(Cl)C=C1 4002816 [0,1,0,0,1,0|1,0,0]=3 46 B15R1.959 COC(=O)CCNC(C)C1=CC=CC=C1 4002822 [0,2,0,0,0,0|2,0,0]=4 47 B15R1.959 COC(=O)CCNC(C)C1=CC=CC=C1 4089301 [0,2,0,0,0,0|2,0,0]=4 48 B13R2.3 C1=CC=C(C2CCCNC2)C=C1 4003675 [1,0,0,1,0,0|2,0,0]=4 49 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 3002445 [1,0,0,1,0,0|1,0,1]=4 50 B13R2.64 C1=CC=C(CC2CCNC2)C=C1 4042868 [1,0,0,1,0,0|1,0,1]=4 51 B13R2.1613 CNC1CCCC2=CC=CC=C21 4011061 [1,0,0,1,0,0|2,0,0]=4 52 B13R2.10 O=C1CCN(C2=CC=CC=C2)C1 4015909 [0,0,0,1,1,0|1,0,0]=3 53 B13R2.163 O=C1COCC2=C(C=CC=C2)N1 4046465 [0,0,0,1,1,0|2,0,0]=4 54 B15R2.31 O=C1CNC[C@H](CC2=CC=CC=C2)N1 4069109 [0,0,0,1,0,1|2,0,0]=4 55 B15R2.68122 O=C(O)CC1NCCC2=CC=CC=C21 4140766 [0,0,0,1,0,1|2,0,0]=4 56 B15R2.297 O=C1CC(C(=O)C2=CC=CC=C2)CO1 9071210 [0,1,0,1,0,0|0,0,1]=3 57 B15R2.79765 O=C(CCl)N1CCOC2=CC=CC=C21 4022376 [0,1,0,1,0,0|2,0,0]=4 58 B15R2.16364 NC1(C(=O)O)CCCC2=CC=CC=C21 4142576 [0,1,0,1,0,0|2,0,0]=4 59 B11R1.91 N=C(N)CCC1=CC=CC=C1 4041259 [0,0,0,0,2,0|2,0,0]=4 60 B11R1.91 O=C(O)CCC1=CC=NC=C1 4004170 [0,0,0,0,2,0|2,0,0]=4 61 B11R1.91 O=C(O)CCC1=NC=CC=C1 4004241 [0,0,0,0,2,0|2,0,0]=4