0 B16R3.5988 C1=CC(=CC=N1)C2=NN3CCCC3=N2 MCULE-2447889483 [0,0,0,0,0,0|3,0,1]=4 1 B16R3.5988 C1=CC=C(C=C1)C2=CN3C=CSC3=N2 MCULE-5663571322 [0,0,0,0,0,0|0,0,4]=4 2 B16R3.5988 C1=CC=C(C=C1)C2=CN3CCCC3=N2 MCULE-4048005688 [0,0,0,0,0,0|1,0,2]=3 3 B16R3.5988 C1=CC=C(C=C1)C2=CN3CCCC3=N2 MCULE-9640605481 [0,0,0,0,0,0|1,0,2]=3 4 B16R3.5988 C1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-3408810926 [0,0,0,0,0,0|0,0,2]=2 5 B16R3.5988 C1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-5079671625 [0,0,0,0,0,0|0,0,2]=2 6 B16R3.5988 C1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-6317340301 [0,0,0,0,0,0|0,0,2]=2 7 B16R3.5988 C1=CC=C(C=C1)C2=CN3N=CSC3=N2 MCULE-1069786909 [0,0,0,0,0,0|1,0,3]=4 8 B16R3.5988 C1=CC=C(C=C1)C2=NN3CCNC3=C2 MCULE-6741988807 [0,0,0,0,0,0|3,0,1]=4 9 B16R3.5988 C1=CC=C(C=C1)C2CN3C=CSC3=N2 MCULE-9152411711 [0,0,0,0,0,0|0,0,2]=2 10 B16R3.5988 C1=CC=C(C=C1)C2CN3CCSC3=N2 MCULE-9004240869 [0,0,0,0,0,0|0,0,0]=0 11 B16R3.5988 C1=CC=C(C=C1)C2CN3CCSC3=[NH+]2 MCULE-8104126881 [0,0,0,0,0,0|0,0,1]=1 12 B16R3.5988 C1=CC=C(C=C1)N2CN3CCCC3=N2 MCULE-8342972825 [0,0,0,0,0,0|2,0,0]=2 13 B16R3.5988 C1=CC=C(C=C1)N2CN3CCCC3=[NH+]2 MCULE-8400924419 [0,0,0,0,0,0|2,0,1]=3 14 B16R3.5988 C1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-1187387007 [0,0,0,0,0,0|0,0,0]=0 15 B16R3.5988 C1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-3933834722 [0,0,0,0,0,0|0,0,0]=0 16 B16R3.5988 C1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-3952027424 [0,0,0,0,0,0|0,0,0]=0 17 B16R3.5988 C1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-4392506462 [0,0,0,0,0,0|0,0,0]=0 18 B16R3.5988 C1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-6224440006 [0,0,0,0,0,0|0,0,0]=0 19 B16R3.5988 C1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-7118728152 [0,0,0,0,0,0|0,0,0]=0 20 B16R3.5988 C1=CC=C(C=C1)[N+]2=CN3CCCC3=N2 MCULE-2832236251 [0,0,0,0,0,0|2,0,1]=3 21 B16R3.5988 C1=CC=C(C=C1)[N+]2=CN3CCCC3=N2 MCULE-3082332839 [0,0,0,0,0,0|2,0,1]=3 22 B16R3.5988 C1=CC=C(C=C1)[N+]2=CN3CCCC3=N2 MCULE-9524716991 [0,0,0,0,0,0|2,0,1]=3 23 B17R3.17867 BrC1=CC=C(C=C1)C2=CN3CCCC3=N2 MCULE-1093976226 [0,1,0,0,0,0|1,0,2]=4 24 B17R3.17867 BrC1=CC=C(C=C1)C2=CN3CCCC3=N2 MCULE-6821857791 [0,1,0,0,0,0|1,0,2]=4 25 B17R3.17867 BrC1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-4450965248 [0,1,0,0,0,0|0,0,2]=3 26 B17R3.17867 BrC1=CC=C(C=C1)C2CN3CCSC3=N2 MCULE-5169978965 [0,1,0,0,0,0|0,0,0]=1 27 B17R3.17867 BrC1=CC=C(C=C1)C2CN3CCSC3=N2 MCULE-6754612695 [0,1,0,0,0,0|0,0,0]=1 28 B17R3.17867 BrC1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-1524274095 [0,1,0,0,0,0|0,0,0]=1 29 B17R3.17867 BrC1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-1542934009 [0,1,0,0,0,0|0,0,0]=1 30 B17R3.17867 BrC1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-2938422197 [0,1,0,0,0,0|0,0,0]=1 31 B17R3.17867 BrC1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-5680841774 [0,1,0,0,0,0|0,0,0]=1 32 B17R3.17867 CC1=CC=C(C=C1)C2=CN3CCCC3=N2 MCULE-7914202251 [0,1,0,0,0,0|1,0,2]=4 33 B17R3.17867 CC1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-9368278368 [0,1,0,0,0,0|0,0,2]=3 34 B17R3.17867 ClC1=CC=C(C=C1)C2=CN3CCCC3=N2 MCULE-3348618516 [0,1,0,0,0,0|1,0,2]=4 35 B17R3.17867 ClC1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-3376414526 [0,1,0,0,0,0|0,0,2]=3 36 B17R3.17867 ClC1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-9990801267 [0,1,0,0,0,0|0,0,2]=3 37 B17R3.17867 FC1=CC=C(C=C1)C2=CN3CCCC3=N2 MCULE-9094827643 [0,1,0,0,0,0|1,0,2]=4 38 B17R3.17867 NC1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-2337850721 [0,1,0,0,0,0|0,0,2]=3 39 B17R3.17867 NC1=CC=C(C=C1)[C@H]2CN3CCSC3=N2 MCULE-2246524054 [0,1,0,0,0,0|0,0,0]=1 40 B17R3.17867 OC1=CC=C(C=C1)C2=CN3CCCC3=N2 MCULE-5227982859 [0,1,0,0,0,0|1,0,2]=4 41 B17R3.17867 OC1=CC=C(C=C1)C2=CN3CCCC3=N2 MCULE-7340663941 [0,1,0,0,0,0|1,0,2]=4 42 B17R3.17867 OC1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-1118210905 [0,1,0,0,0,0|0,0,2]=3 43 B17R3.17867 OC1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-1376019138 [0,1,0,0,0,0|0,0,2]=3 44 B17R3.18290 NC1=CC(=CC=C1)C2=CN3CCSC3=N2 MCULE-4391561500 [0,1,0,0,0,0|0,0,2]=3 45 B17R3.18290 NC1=CC=CC(=C1)C2CN3C=CSC3=N2 MCULE-5974804392 [0,1,0,0,0,0|0,0,2]=3 46 B15R2.55 O=C1CCCC1CCC2=CC=CC=C2 MCULE-1349704090 [0,0,1,0,0,0|3,0,0]=4 47 B15R2.55 O=C1CCCN1CCC2=CC=CC=C2 MCULE-5048781896 [0,0,1,0,0,0|2,0,0]=3 48 B15R2.55 O=C1CCCN1CCC2=NC=CC=C2 MCULE-4050426616 [0,0,1,0,0,0|3,0,0]=4 49 B15R2.55 O=C1NCCC1CCC2=CC=CC=C2 MCULE-3812807351 [0,0,1,0,0,0|3,0,0]=4 50 B15R2.66 CCOC1=NC(CC1)C2=CC=CC=C2 MCULE-6980200473 [0,0,1,0,0,0|1,1,0]=3 51 B15R2.66 NCCN1CCC(C1)C2=CC=CC=C2 MCULE-3588857377 [0,0,1,0,0,0|2,0,1]=4 52 B15R2.1259 CC(NC1=NCCS1)C2=CC=CC=C2 MCULE-5166154906 [0,0,1,0,0,0|0,0,2]=3 53 B15R2.1259 NC(CN1CCCC1)C2=CC=CC=C2 MCULE-1245832724 [0,0,1,0,0,0|1,0,2]=4 54 B15R2.1259 NC(CN1CCCC1)C2=CC=CC=C2 MCULE-6209988279 [0,0,1,0,0,0|1,0,2]=4 55 B15R2.1259 NC(CN1CCCC1)C2=CC=CC=C2 MCULE-9587381204 [0,0,1,0,0,0|1,0,2]=4 56 B15R2.1259 N[C@@H](CN1CCCC1)C2=CC=CC=C2 MCULE-3791819988 [0,0,1,0,0,0|1,0,2]=4 57 B15R2.1259 N[C@@H](CN1CCCC1)C2=CC=CC=C2 MCULE-5460890945 [0,0,1,0,0,0|1,0,2]=4 58 B15R2.1259 N[C@H](CN1CCCC1)C2=CC=CC=C2 MCULE-1689450989 [0,0,1,0,0,0|1,0,2]=4 59 B15R2.1259 N[C@H](CN1CCCC1)C2=CC=CC=C2 MCULE-1851414198 [0,0,1,0,0,0|1,0,2]=4 60 B15R2.1259 N[C@H](CN1CCCC1)C2=CC=CC=C2 MCULE-7841369733 [0,0,1,0,0,0|1,0,2]=4 61 B15R2.1259 O=C(C=C1NCCS1)C2=CC=CC=C2 MCULE-5185489923 [0,0,1,0,0,0|2,0,1]=4 62 B15R2.1259 OC(CN1CCCC1)C2=CC=CC=C2 MCULE-2750210997 [0,0,1,0,0,0|2,0,1]=4 63 B15R3.4166 C1=CSC(=C1)C2=CN3CCSC3=N2 MCULE-4289852660 [0,0,0,0,1,0|1,0,2]=4 64 B17R3.8708 C1=CC=C(C=C1)C2=CN3CCCNC3=N2 MCULE-2115060706 [0,0,0,0,0,1|1,0,2]=4 65 B17R3.8708 C1=CC=C(C=C1)C2=CN3CCCNC3=N2 MCULE-5509180715 [0,0,0,0,0,1|1,0,2]=4 66 B17R3.8708 C1=CC=C(C=C1)C2=CN3CCNCC3=N2 MCULE-8021589379 [0,0,0,0,0,1|1,0,2]=4 67 B17R3.8708 C1=CC=C(C=C1)C2=NN3CCCNC3=N2 MCULE-2568280966 [0,0,0,0,0,1|2,0,1]=4 68 B17R3.8708 C1=CC=C(C=C1)[C@@H]2CN3C=CC=CC3=N2 MCULE-4051037295 [0,0,0,0,0,1|1,0,2]=4 69 B17R3.8708 C1=CC=C(C=C1)[N+]2=CN3CCOCC3=N2 MCULE-3050283966 [0,0,0,0,0,1|1,1,1]=4 70 B17R3.8708 C1=CC=C(C=C1)[N+]2=CN3CCOCC3=N2 MCULE-8196213248 [0,0,0,0,0,1|1,1,1]=4 71 B14R2.101 C1=CC=C(C=C1)CCN2CCCC2 MCULE-1238637041 [1,0,1,0,0,0|1,0,1]=4 72 B14R2.101 C1=CC=C(C=C1)CNC2=NCCS2 MCULE-6075849252 [1,0,1,0,0,0|0,0,2]=4 73 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 MCULE-9148915555 [1,0,1,0,0,0|2,0,0]=4 74 B14R2.101 C1=CC=C(C=C1)CSC2=NCCN2 MCULE-9370129434 [1,0,1,0,0,0|2,0,0]=4 75 B14R2.101 C1=CC=C(C=C1)CSC2=NCCS2 MCULE-7366505693 [1,0,1,0,0,0|1,0,1]=4 76 B14R2.8 CSC1=NC(=CN1)C2=CC=CC=C2 MCULE-4921898789 [1,0,1,0,0,0|0,0,2]=4 77 B14R2.8 CSC1=NC(=CN1)C2=CC=CC=C2 MCULE-8388106215 [1,0,1,0,0,0|0,0,2]=4 78 B14R2.8 CSC1=NC(=NN1)C2=CC=CC=C2 MCULE-4930215019 [1,0,1,0,0,0|1,0,1]=4 79 B14R2.260 CN1CC(CC1=O)C2=CC=CC=C2 MCULE-3883975850 [1,0,1,0,0,0|1,1,0]=4 80 B14R2.260 CN1CC(OC1=O)C2=CC=CC=C2 MCULE-9315272880 [1,0,1,0,0,0|1,1,0]=4 81 B16R2.1067 NC1=CC=C(C=C1)CCN2CCOC2=O MCULE-9208938851 [0,1,1,0,0,0|1,1,0]=4 82 B16R2.2904 NC1CC(=O)N(C1)CCC2=CC=CC=C2 MCULE-6502042732 [0,1,1,0,0,0|2,0,0]=4 83 B16R2.2904 NC1CC(=O)N(C1)CCC2=CC=CC=C2 MCULE-6657525691 [0,1,1,0,0,0|2,0,0]=4 84 B16R2.2948 O=C1CSC(=O)N1CCC2=CC=CC=C2 MCULE-8145207422 [0,1,1,0,0,0|1,0,1]=4 85 B16R2.2948 O=C1CSC(=S)N1CCC2=CC=CC=C2 MCULE-9348581879 [0,1,1,0,0,0|1,0,1]=4 86 B16R2.3005 O=C(CC1=CC=CC=C1)N2CCSC2=S MCULE-3312353738 [0,1,1,0,0,0|1,0,1]=4 87 B16R2.3014 N=C1CCCN1CC(=O)C2=CC=CC=C2 MCULE-4087942934 [0,1,1,0,0,0|1,0,1]=4 88 B16R2.3014 N=C1CCCN1CC(=O)C2=CC=CC=C2 MCULE-9334941154 [0,1,1,0,0,0|1,0,1]=4 89 B16R2.3014 N=C1SCCN1CC(=O)C2=CC=CC=C2 MCULE-1358851227 [0,1,1,0,0,0|0,0,1]=3 90 B16R2.3014 N=C1SCCN1CC(=O)C2=CC=CC=C2 MCULE-5025168137 [0,1,1,0,0,0|0,0,1]=3 91 B16R2.3014 N=C1SCCN1CC(=O)C2=CC=CC=C2 MCULE-5700161698 [0,1,1,0,0,0|0,0,1]=3 92 B16R2.3014 N=C1SCCN1CC(=O)C2=CC=CC=C2 MCULE-7781666261 [0,1,1,0,0,0|0,0,1]=3 93 B16R2.3014 N=C1SCCN1CC(O)C2=CC=CC=C2 MCULE-2340755810 [0,1,1,0,0,0|0,0,0]=2 94 B16R2.3014 N=C1SCCN1CC(O)C2=CC=CC=C2 MCULE-5289783739 [0,1,1,0,0,0|0,0,0]=2 95 B16R2.3014 NC(CN1CCCC1=O)C2=CC=CC=C2 MCULE-8718572396 [0,1,1,0,0,0|2,0,0]=4 96 B16R2.3014 O=C1OCCN1CC(O)C2=CC=CC=C2 MCULE-7270403978 [0,1,1,0,0,0|1,1,0]=4 97 B16R2.150 NCCSC1=NC(=CN1)C2=CC=CC=C2 MCULE-3497577266 [0,1,1,0,0,0|0,0,2]=4 98 B16R2.2829 CC1CN=C(S1)NC(C)C2=CC=CC=C2 MCULE-3001715262 [0,1,1,0,0,0|0,0,2]=4 99 B16R2.2888 CN(C)C1=NC(CN1C)C2=CC=CC=C2 MCULE-1983284168 [0,1,1,0,0,0|1,0,0]=3 100 B18R3.4323 O=C1C(=CN=C2N1CCS2)C3=CC=CC=C3 MCULE-4481396068 [0,1,0,0,0,1|0,0,2]=4 101 B18R3.6550 O=C1CC(N=C2N1CCS2)C3=CC=CC=C3 MCULE-1604674195 [0,1,0,0,0,1|0,0,0]=2 102 B18R3.53542 O=C1CSC2=NCN(CN12)C3=CC=CC=C3 MCULE-4091392164 [0,1,0,0,0,1|1,0,1]=4 103 B18R3.32722 OC1CSC2=NC(=NN2C1)C3=CC=CC=C3 MCULE-4618322779 [0,1,0,0,0,1|1,0,1]=4 104 B18R3.2823 N#CC1=C(N=C2N1CCS2)C3=CC=CC=C3 MCULE-9222110698 [0,2,0,0,0,0|0,0,2]=4 105 B18R3.2823 O=CC1=C(N=C2N1CCS2)C3=CC=CC=C3 MCULE-7686897038 [0,2,0,0,0,0|0,0,2]=4 106 B18R3.3412 COC1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-9103047679 [0,2,0,0,0,0|0,0,2]=4 107 B18R3.3412 N#CC1=CC=C(C=C1)C2=CN3CCSC3=N2 MCULE-7728018892 [0,2,0,0,0,0|0,0,2]=4 108 B18R3.137761 ClC1=CC=C(C=C1Cl)C2=CN3CCSC3=N2 MCULE-9265358752 [0,2,0,0,0,0|0,0,2]=4 109 B18R3.137761 OC1=C(C=C(C=C1)C2=CN3CCSC3=N2)O MCULE-7932074219 [0,2,0,0,0,0|0,0,2]=4 110 B14R1.520 CCCC(=O)NCCC1=CC=CC=C1 MCULE-6073306955 [0,0,2,0,0,0|2,0,0]=4 111 B14R1.520 CCNC(=S)NCCC1=CC=CC=C1 MCULE-7304912801 [0,0,2,0,0,0|2,0,0]=4 112 B14R1.520 CCOC(=O)NCCC1=CC=CC=C1 MCULE-6626696443 [0,0,2,0,0,0|1,1,0]=4 113 B14R1.29 CCNC(=O)CC(C)C1=CC=CC=C1 MCULE-3961081754 [0,0,2,0,0,0|1,1,0]=4 114 B14R2.30 CC1=NCCN1CC2=CC=CC=C2 MCULE-1927847918 [0,0,1,0,1,0|2,0,0]=4 115 B14R2.30 CN1CCSC1=NC2=CC=CC=C2 MCULE-9600934827 [0,0,1,0,1,0|0,0,0]=2 116 B14R2.30 N=C1SC=CN1CC2=CC=CC=C2 MCULE-6052163056 [0,0,1,0,1,0|0,0,2]=4 117 B14R2.30 N=C1SC=CN1CC2=CC=CC=C2 MCULE-9447430518 [0,0,1,0,1,0|0,0,2]=4 118 B14R2.30 O=C1CCCN1CC2=CC=CC=C2 MCULE-9141342964 [0,0,1,0,1,0|2,0,0]=4 119 B14R2.30 O=C1NCCN1CC2=CC=CC=C2 MCULE-7982177794 [0,0,1,0,1,0|2,0,0]=4 120 B14R2.30 S=C1CCCN1CC2=CC=CC=C2 MCULE-9028088697 [0,0,1,0,1,0|2,0,0]=4 121 B14R2.30 S=C1NCCN1CC2=CC=CC=C2 MCULE-3691215618 [0,0,1,0,1,0|2,0,0]=4 122 B14R2.114 CC(C1=CC=CC=C1)C2CCCN2 MCULE-8755930393 [0,0,1,0,1,0|1,0,1]=4 123 B14R2.1253 C1=CC=C(C=C1)C2CCCCNC2 MCULE-4053730056 [0,0,1,0,1,0|1,0,1]=4 124 B14R2.1253 C1=CC=C(C=C1)C2CNCCCN2 MCULE-9922141005 [0,0,1,0,1,0|0,0,2]=4 125 B14R2.1253 C1=CC=C(C=C1)C2CNCCCO2 MCULE-9750060592 [0,0,1,0,1,0|1,0,1]=4 126 B14R3.2933 C1=CC=C(C=C1)C2N3N2CCC3 MCULE-4030876626 [0,0,0,0,2,0|2,0,0]=4 127 B16R2.71 CN1CCCN=C1SCC2=CC=CC=C2 MCULE-2777094255 [0,0,1,0,0,1|2,0,0]=4 128 B16R2.71 CN1CCCN=C1SCC2=CC=CC=C2 MCULE-4155064942 [0,0,1,0,0,1|2,0,0]=4 129 B16R2.71 O=C1CCCCN1CCC2=CC=CC=C2 MCULE-6153391545 [0,0,1,0,0,1|2,0,0]=4 130 B16R2.71 O=C1CCCCN1CCC2=CC=CC=C2 MCULE-9263917044 [0,0,1,0,0,1|2,0,0]=4 131 B16R2.71 O=C1CNCCN1CCC2=CC=CC=C2 MCULE-2878820683 [0,0,1,0,0,1|2,0,0]=4 132 B16R2.71 O=C1CNCCN1CCC2=CC=CC=C2 MCULE-5075800084 [0,0,1,0,0,1|2,0,0]=4 133 B16R2.252 O=C1CN(CCN1)CCC2=CC=CC=C2 MCULE-3103848195 [0,0,1,0,0,1|2,0,0]=4 134 B16R2.3250 CN1CCSC1=CC=NC2=CC=CC=C2 MCULE-6033448031 [0,0,1,0,0,1|1,0,1]=4 135 B16R2.3250 CN1CCSC1=CC=NC2=CC=CC=C2 MCULE-8644475886 [0,0,1,0,0,1|1,0,1]=4 136 B16R2.3250 S=C1NCCN1CCOC2=CC=CC=C2 MCULE-3315077197 [0,0,1,0,0,1|2,0,0]=4 137 B16R2.5767 CC(=NNC1=NCCN1)C2=CC=CC=C2 MCULE-8394090212 [0,0,1,0,0,1|1,0,1]=4