0 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-2995423359 [0,0,0,0,0,0|3,0,0]=3 1 B17R2.73242 COC1=CC2=C(C=C1)NC=C2CCN(C)C MCULE-1161800007 [0,0,0,0,0,0|0,0,0]=0 2 B17R2.73242 COC1=CC=C2NC=C(C2=C1)CCC(=O)O MCULE-1797370196 [0,0,0,0,0,0|3,0,0]=3 3 B16R2.15551 CC(=O)CCC1=CNC2=C1C=C(C=C2)Br MCULE-9077149693 [1,0,0,0,0,0|3,0,0]=4 4 B16R2.15551 CC(=O)CCC1=CNC2=CC=C(C=C12)F MCULE-9993709905 [1,0,0,0,0,0|3,0,0]=4 5 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)N MCULE-3339794781 [1,0,0,0,0,0|3,0,0]=4 6 B16R2.15551 CC1=CC2=C(C=C1)NC=C2CCC(=O)O MCULE-1239455157 [1,0,0,0,0,0|3,0,0]=4 7 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-1556032580 [1,0,0,0,0,0|1,0,0]=2 8 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)Cl MCULE-4252363733 [1,0,0,0,0,0|1,0,0]=2 9 B16R2.15551 CN(C)CCC1=CNC2=C1C=C(C=C2)N MCULE-2093808664 [1,0,0,0,0,0|1,0,0]=2 10 B16R2.15551 CN(C)CCC1=CNC2=CC=C(C=C12)Br MCULE-4875343540 [1,0,0,0,0,0|1,0,0]=2 11 B16R2.15551 CN(C)CCC1=CSC2=C1C=C(C=C2)Cl MCULE-4931315082 [1,0,0,0,0,0|2,0,0]=3 12 B16R2.15551 CN(C)CCC1=CSC2=C1C=C(C=C2)Cl MCULE-6558653146 [1,0,0,0,0,0|2,0,0]=3 13 B16R2.15551 CN(C)CCN1C=CC2=C1C=C(C=C2)Br MCULE-6347826155 [1,0,0,0,0,0|3,0,0]=4 14 B16R2.15551 CN(C)CCN1C=CC2=C1C=C(C=C2)N MCULE-9994824293 [1,0,0,0,0,0|3,0,0]=4 15 B16R2.15551 O=C(O)CCC1=CNC2=C1C=C(C=C2)O MCULE-4117735882 [1,0,0,0,0,0|3,0,0]=4 16 B16R2.163638 COC1=CC2=C(C=C1)NC=C2CCCN MCULE-2167200158 [1,0,0,0,0,0|2,0,0]=3 17 B18R2.120969 C=C(C)C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3192966428 [0,1,0,0,0,0|1,0,1]=3 18 B18R2.120969 C=C(C)C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-5506193077 [0,1,0,0,0,0|1,0,1]=3 19 B18R2.120969 C=C(C)C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-2671601746 [0,1,0,0,0,0|1,0,1]=3 20 B18R2.120969 C=C(C)C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-8691474763 [0,1,0,0,0,0|1,0,1]=3 21 B18R2.120969 COC1=CC2=C(C=C1)NC=C2C(=O)CN(C)C MCULE-8843853597 [0,1,0,0,0,0|0,0,1]=2 22 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC(C)C MCULE-8749450223 [0,1,0,0,0,0|1,0,0]=2 23 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC(C)C MCULE-8921805244 [0,1,0,0,0,0|1,0,0]=2 24 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC(F)F MCULE-2134459845 [0,1,0,0,0,0|3,0,0]=4 25 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC(F)F MCULE-2248436048 [0,1,0,0,0,0|3,0,0]=4 26 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC(C)C MCULE-2815754631 [0,1,0,0,0,0|1,0,0]=2 27 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC(C)C MCULE-6652456311 [0,1,0,0,0,0|1,0,0]=2 28 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC(F)F MCULE-2452542145 [0,1,0,0,0,0|3,0,0]=4 29 B18R2.120969 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC(F)F MCULE-3636846053 [0,1,0,0,0,0|3,0,0]=4 30 B18R2.120970 CCC1=CC=C2OC=C(C2=C1)CC(=O)N(C)C MCULE-2991463596 [0,1,0,0,0,0|2,0,1]=4 31 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-5728347170 [0,1,0,0,0,0|3,0,0]=4 32 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-8098871559 [0,1,0,0,0,0|3,0,0]=4 33 B18R2.120970 COC1=CC2=C(C=C1)NC=C2CC(N)C(=O)O MCULE-8897714296 [0,1,0,0,0,0|3,0,0]=4 34 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@@H](N)C(=O)O MCULE-3047279016 [0,1,0,0,0,0|3,0,0]=4 35 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@@H](N)C(=O)O MCULE-7513297188 [0,1,0,0,0,0|3,0,0]=4 36 B18R2.120970 COC1=CC2=C(C=C1)NC=C2C[C@H](N)C(=O)O MCULE-2186418042 [0,1,0,0,0,0|3,0,0]=4 37 B18R2.120970 COC1=CC=C2NC=C(C2=C1)C[C@@H](N)C(=O)O MCULE-7726461775 [0,1,0,0,0,0|3,0,0]=4 38 B18R2.120970 COC1=CC=C2NC=C(C2=C1)C[C@H](N)C(=O)O MCULE-1598609422 [0,1,0,0,0,0|3,0,0]=4 39 B18R2.120972 CCN(C)CCC1=CNC2=CC=C(C=C12)OC MCULE-7703394567 [0,1,0,0,0,0|0,0,0]=1 40 B18R2.120972 COC(=O)CCC1=CNC2=C1C=C(C=C2)OC MCULE-6932210826 [0,1,0,0,0,0|2,0,0]=3 41 B18R2.173884 COC1=CC=C2NC(=C(C2=C1)CCN(C)C)C MCULE-9784764268 [0,1,0,0,0,0|0,0,0]=1 42 B18R2.173884 COC1=CC=C2NC(=O)C(=CNC(C)C)C2=C1 MCULE-2052271819 [0,1,0,0,0,0|2,0,1]=4 43 B18R2.867030 COC1=CC2=C(C=C1)NC=C2CC[N+](C)(C)C MCULE-5107317842 [0,1,0,0,0,0|0,0,1]=2 44 B18R2.867030 COC1=CC2=C(C=C1)NC=C2CC[N+](C)(C)C MCULE-7676087631 [0,1,0,0,0,0|0,0,1]=2 45 B18R2.1371375 CN(C)CCC1=CNC2=C1C=C(C=C2)N(=O)=O MCULE-7010426868 [0,1,0,0,0,0|2,0,0]=3 46 B18R2.1371375 CN(C)CCC1=CNC2=CC=C(C=C12)N(=O)=O MCULE-9208440523 [0,1,0,0,0,0|2,0,0]=3 47 B16R1.2 COC1=CC=C(C=C1)CNCCCN(C)C MCULE-2810659418 [0,0,1,0,0,0|2,0,1]=4 48 B16R1.2 COC1=CC=C(C=C1)CNCCCN(C)C MCULE-9562493658 [0,0,1,0,0,0|2,0,1]=4 49 B16R1.2 COC1=CC=C(C=C1)OCC=CCN(C)C MCULE-4895372204 [0,0,1,0,0,0|1,0,2]=4 50 B16R1.2 COC1=CC=C(C=C1)OCC=CCN(C)C MCULE-6339732565 [0,0,1,0,0,0|1,0,2]=4 51 B18R3.172984 COC1=CC2=C(C=C1)NC3=C2CCC(=O)C3 MCULE-8083337091 [0,0,0,1,0,0|2,0,0]=3 52 B16R2.42567 CN(C)CC1=CNC2=C1C=C(C=C2)C#N MCULE-5459530809 [0,0,0,0,1,0|2,0,0]=3 53 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)N MCULE-3391234212 [0,0,0,0,1,0|3,0,0]=4 54 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CC(=O)O MCULE-9997753194 [0,0,0,0,1,0|3,0,0]=4 55 B16R2.42567 COC1=CC2=C(C=C1)NC=C2CN(C)C MCULE-4301474786 [0,0,0,0,1,0|0,0,0]=1 56 B16R2.42567 COC1=CC=C2NC=C(C2=C1)CC(C)N MCULE-9717144052 [0,0,0,0,1,0|2,0,0]=3 57 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCCC(=O)O MCULE-6433041137 [0,0,0,0,0,1|3,0,0]=4 58 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-8622954894 [0,0,0,0,0,1|3,0,0]=4 59 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=N)N MCULE-9015984521 [0,0,0,0,0,1|3,0,0]=4 60 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)C MCULE-1497884152 [0,0,0,0,0,1|2,0,0]=3 61 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(=O)N MCULE-9090970902 [0,0,0,0,0,1|3,0,0]=4 62 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-1187711668 [0,0,0,0,0,1|1,0,0]=2 63 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCNC(C)C MCULE-6372151765 [0,0,0,0,0,1|1,0,0]=2 64 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCSC(=N)N MCULE-7990269939 [0,0,0,0,0,1|3,0,0]=4 65 B18R2.120971 COC1=CC2=C(C=C1)NC=C2CCSC(=N)N MCULE-8644135623 [0,0,0,0,0,1|3,0,0]=4 66 B18R2.120971 COC1=CC=C2NC=C(C2=C1)CCNC(=N)N MCULE-3412630137 [0,0,0,0,0,1|3,0,0]=4 67 B18R2.120971 COC1=CC=C2NC=C(C2=C1)CNCC(C)C MCULE-2687251430 [0,0,0,0,0,1|1,0,0]=2 68 B15R1.65 COC1=CC(=CC=C1)C(=O)CCN(C)C MCULE-8667702323 [1,0,1,0,0,0|1,0,0]=3 69 B15R1.65 COC1=CC=CC(=C1)C(=O)CCN(C)C MCULE-8438651465 [1,0,1,0,0,0|1,0,0]=3 70 B15R1.65 COC1=CC=CC(=C1)[C@@H](N)CCC(C)C MCULE-2607523774 [1,0,1,0,0,0|1,0,1]=4 71 B15R1.65 COC1=CC=CC(=C1)[C@@H](N)CCC(C)C MCULE-4396394547 [1,0,1,0,0,0|1,0,1]=4 72 B15R1.65 COC1=CC=CC(=C1)[C@H](N)CCC(C)C MCULE-3538689011 [1,0,1,0,0,0|1,0,1]=4 73 B15R1.65 COC1=CC=CC(=C1)[C@H](N)CCC(C)C MCULE-4263880648 [1,0,1,0,0,0|1,0,1]=4 74 B15R2.6 CC(=O)CCC1=CNC2=C1C=CC=C2 MCULE-7392845361 [2,0,0,0,0,0|2,0,0]=4 75 B15R2.6 CN(C)CCC1=CNC2=C1C=CC=C2 MCULE-1451594833 [2,0,0,0,0,0|0,0,0]=2 76 B15R2.6 CN(C)CCN1C=NC2=C1C=CC=C2 MCULE-7942301929 [2,0,0,0,0,0|1,0,1]=4 77 B15R2.17719 CC1=CC=C2NC=C(C2=C1)CCCN MCULE-4520003199 [2,0,0,0,0,0|2,0,0]=4 78 B15R2.17719 CNCCC1=CNC2=C1C=C(C=C2)O MCULE-1823155663 [2,0,0,0,0,0|0,0,0]=2 79 B15R2.17719 CNCCC1=CNC2=C1C=C(C=C2)O MCULE-2918354234 [2,0,0,0,0,0|0,0,0]=2 80 B15R2.17719 [NH3+]CCCC1=CNC2=C1C=C(C=C2)C MCULE-6315348922 [2,0,0,0,0,0|2,0,0]=4 81 B15R2.54412 CCC1=CC2=C(C=C1)NC=C2CCN MCULE-5726784334 [2,0,0,0,0,0|1,0,0]=3 82 B15R2.54412 CCC1=CC2=C(C=C1)NC=C2CCN MCULE-6781556401 [2,0,0,0,0,0|1,0,0]=3 83 B15R2.54412 CNCC1=CNC2=C1C=C(C=C2)OC MCULE-1712832438 [2,0,0,0,0,0|0,0,0]=2 84 B15R2.54412 CNCC1=CNC2=C1C=C(C=C2)OC MCULE-8923729584 [2,0,0,0,0,0|0,0,0]=2 85 B15R2.54412 COC1=CC2=C(C=C1)CC=C2CCN MCULE-1993241198 [2,0,0,0,0,0|1,0,0]=3 86 B15R2.54412 COC1=CC2=C(C=C1)CC=C2CCN MCULE-7285259767 [2,0,0,0,0,0|1,0,0]=3 87 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CCN MCULE-1605989886 [2,0,0,0,0,0|0,0,0]=2 88 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CCO MCULE-1066911922 [2,0,0,0,0,0|1,0,0]=3 89 B15R2.54412 COC1=CC2=C(C=C1)NC=C2CC[NH3+] MCULE-7366022899 [2,0,0,0,0,0|0,0,1]=3 90 B15R2.54412 COC1=CC=C2NC=C(C2=C1)CC#N MCULE-3095608504 [2,0,0,0,0,0|0,0,2]=4 91 B15R2.54412 COC1=CC=C2NC=C(C2=C1)CCN MCULE-6141263456 [2,0,0,0,0,0|0,0,0]=2 92 B15R2.54412 N#CC1=CC2=C(C=C1)NC=C2CCN MCULE-7211342775 [2,0,0,0,0,0|2,0,0]=4 93 B15R2.54412 N#CC1=CC2=C(C=C1)NC=C2CCN MCULE-9596090917 [2,0,0,0,0,0|2,0,0]=4 94 B17R1.196 COC1=CC=C(C=C1)CC(=O)OCCN(C)C MCULE-5573364464 [0,1,1,0,0,0|2,0,0]=4 95 B17R1.196 COC1=CC=C(C=C1)CC(=O)OCCN(C)C MCULE-6668831711 [0,1,1,0,0,0|2,0,0]=4 96 B17R1.196 COC1=CC=C(C=C1)NC(=S)NCCC(C)C MCULE-1586306202 [0,1,1,0,0,0|2,0,0]=4 97 B17R1.196 COC1=CC=C(C=C1)NC(=S)NCCN(C)C MCULE-7916478436 [0,1,1,0,0,0|1,0,0]=3 98 B17R1.6242 CC=C(C1=CC=CC(=C1)OC)C(C)CN(C)C MCULE-2010963627 [0,1,1,0,0,0|1,0,0]=3 99 B17R2.25460 CC(C)C[C@@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-3810626894 [1,1,0,0,0,0|2,0,0]=4 100 B17R2.25460 CC(C)C[C@@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-5581693765 [1,1,0,0,0,0|2,0,0]=4 101 B17R2.25460 CC(C)C[C@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-3545743509 [1,1,0,0,0,0|2,0,0]=4 102 B17R2.25460 CC(C)C[C@H](N)C1=CNC2=C1C=C(C=C2)Br MCULE-8673573564 [1,1,0,0,0,0|2,0,0]=4 103 B17R2.150937 CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN(C)C MCULE-6045221315 [1,1,0,0,0,0|1,0,0]=3 104 B17R2.150937 CC1=C(C2=C(N1)C=CC(=C2)Cl)CCN(C)C MCULE-7074886803 [1,1,0,0,0,0|1,0,0]=3 105 B17R2.188266 C[N+](C)(C)CCC1=CNC2=CC=C(C=C12)[O-] MCULE-5838327819 [1,1,0,0,0,0|0,0,2]=4 106 B17R2.73215 CCC(N)CC1=CNC2=C1C=C(C=C2)OC MCULE-2412259414 [1,1,0,0,0,0|1,0,0]=3 107 B17R2.73215 COC(=O)CC1=CNC2=C1C=C(C=C2)OC MCULE-1471443127 [1,1,0,0,0,0|1,0,1]=4 108 B17R2.73215 COC1=CC2=C(C=C1)NC=C2CC(=O)NN MCULE-2249901981 [1,1,0,0,0,0|1,0,1]=4 109 B17R2.333142 CCOC1=CC=C2NC=C(C2=C1)CCCN MCULE-2808789812 [1,1,0,0,0,0|2,0,0]=4 110 B17R2.333142 CCOC1=CC=C2NC=C(C2=C1)CCCN MCULE-4902145099 [1,1,0,0,0,0|2,0,0]=4 111 B17R2.341326 CNCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-8558500420 [1,1,0,0,0,0|0,0,0]=2 112 B17R2.341326 CNCCC1=C(NC2=C1C=C(C=C2)OC)C MCULE-9490685032 [1,1,0,0,0,0|0,0,0]=2 113 B17R2.1053574 C=CC[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-2336307719 [1,1,0,0,0,0|1,0,1]=4 114 B17R2.1053574 C=CC[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-9634785554 [1,1,0,0,0,0|1,0,1]=4 115 B17R2.1053574 C=CC[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-1289134668 [1,1,0,0,0,0|1,0,1]=4 116 B17R2.1053574 C=CC[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-7993611208 [1,1,0,0,0,0|1,0,1]=4 117 B17R2.1053574 CCC[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-6068424202 [1,1,0,0,0,0|1,0,0]=3 118 B17R2.1053574 CCC[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-8745650775 [1,1,0,0,0,0|1,0,0]=3 119 B17R2.1053574 CCC[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-5028664267 [1,1,0,0,0,0|1,0,0]=3 120 B17R2.1053574 CCC[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-6699949858 [1,1,0,0,0,0|1,0,0]=3 121 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC#N MCULE-2823374375 [1,1,0,0,0,0|2,0,0]=4 122 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC#N MCULE-9609519291 [1,1,0,0,0,0|2,0,0]=4 123 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCF MCULE-3510438503 [1,1,0,0,0,0|2,0,0]=4 124 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCF MCULE-6968818814 [1,1,0,0,0,0|2,0,0]=4 125 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCN MCULE-1030035136 [1,1,0,0,0,0|2,0,0]=4 126 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCN MCULE-5952976098 [1,1,0,0,0,0|2,0,0]=4 127 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCO MCULE-7428887864 [1,1,0,0,0,0|2,0,0]=4 128 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCO MCULE-7614046156 [1,1,0,0,0,0|2,0,0]=4 129 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC#N MCULE-3591455516 [1,1,0,0,0,0|2,0,0]=4 130 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC#N MCULE-9885509392 [1,1,0,0,0,0|2,0,0]=4 131 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCF MCULE-5951524536 [1,1,0,0,0,0|2,0,0]=4 132 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCF MCULE-6803525621 [1,1,0,0,0,0|2,0,0]=4 133 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCN MCULE-1143327935 [1,1,0,0,0,0|2,0,0]=4 134 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCN MCULE-1247365475 [1,1,0,0,0,0|2,0,0]=4 135 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCO MCULE-1946229483 [1,1,0,0,0,0|2,0,0]=4 136 B17R2.1053574 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCO MCULE-5527835208 [1,1,0,0,0,0|2,0,0]=4 137 B17R2.1231010 COC1=CC2=C(C=C1)NC=C2CCNC=O MCULE-9732735780 [1,1,0,0,0,0|0,0,1]=3 138 B17R2.429181 COC1=CC2=C(C=C1)N(C=C2CC(C)N)C MCULE-9098130577 [0,1,0,0,1,0|2,0,0]=4 139 B17R2.429181 COC1=CC=C2C(=C1)C(=CN2C)CC(C)N MCULE-6291245193 [0,1,0,0,1,0|2,0,0]=4 140 B17R2.1146278 CN(C)CC1=CNC2=C1C=C(C=C2)N(=O)=O MCULE-3240056649 [0,1,0,0,1,0|2,0,0]=4 141 B17R2.1146278 CN(C)CC1=CNC2=CC=C(C=C12)C(=O)O MCULE-1169184305 [0,1,0,0,1,0|2,0,0]=4 142 B17R2.1146278 CN(C)CC1=CNC2=CC=C(C=C12)C(=O)O MCULE-8478950827 [0,1,0,0,1,0|2,0,0]=4 143 B19R2.1486576 COC1=CC=C2NC(=O)C(=CC2=C1)CNC(C)C MCULE-9936053111 [0,1,0,0,0,1|2,0,0]=4 144 B19R2.68648 CCOC1=CC=C2NC=C(C2=C1)CCNC(C)C MCULE-2631943665 [0,1,0,0,0,1|1,0,0]=3 145 B19R2.68648 CCOC1=CC=C2NC=C(C2=C1)CCNC(C)C MCULE-2887652520 [0,1,0,0,0,1|1,0,0]=3 146 B19R2.195242 COC1=CC2=C(C=C1)NC=C2CCNS(=O)(=O)C MCULE-6206385471 [0,1,0,0,0,1|2,0,0]=4 147 B19R2.195246 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCC(C)C MCULE-7997470538 [0,1,0,0,0,1|1,0,0]=3 148 B19R2.195246 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CCC(C)C MCULE-7998713299 [0,1,0,0,0,1|1,0,0]=3 149 B19R2.195246 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCC(C)C MCULE-3881971251 [0,1,0,0,0,1|1,0,0]=3 150 B19R2.195246 COC1=CC=C2NC=C(C2=C1)[C@H](N)CCC(C)C MCULE-4145696867 [0,1,0,0,0,1|1,0,0]=3 151 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)Br MCULE-8845379004 [0,1,0,0,0,1|2,0,0]=4 152 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)I MCULE-4835944162 [0,1,0,0,0,1|2,0,0]=4 153 B19R2.296928 COC1=CC=C2NC(=C(C2=C1)CCNC(=O)C)O MCULE-9178007419 [0,1,0,0,0,1|2,0,0]=4 154 B19R2.1606290 COC1=CC2=C(C=C1Cl)NC=C2CCNC(=O)C MCULE-6641400206 [0,1,0,0,0,1|2,0,0]=4 155 B19R2.1606290 COC1=CC2=C(C=C1O)NC=C2CCNC(=O)C MCULE-7431346677 [0,1,0,0,0,1|2,0,0]=4 156 B19R2.1645485 CCC(=O)NCCC1=CNC2=CC=C(C=C12)OC MCULE-5127778268 [0,1,0,0,0,1|2,0,0]=4 157 B19R2.1645485 CNC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-7977300330 [0,1,0,0,0,1|2,0,0]=4 158 B19R2.1645485 CNC(=S)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-7374328716 [0,1,0,0,0,1|2,0,0]=4 159 B19R2.1645485 COC(=O)NCCC1=CNC2=C1C=C(C=C2)OC MCULE-3623816185 [0,1,0,0,0,1|2,0,0]=4 160 B19R2.1645485 COC1=CC2=C(C=C1)NC=C2CCNC(=O)CCl MCULE-6749760943 [0,1,0,0,0,1|2,0,0]=4 161 B19R2.1645485 COC1=CC=C2NC=C(C2=C1)CCNC(=O)CN MCULE-4462085234 [0,1,0,0,0,1|2,0,0]=4 162 B19R2.1645485 COC1=CC=C2NC=C(C2=C1)CCNC(=O)CN MCULE-8963075267 [0,1,0,0,0,1|2,0,0]=4 163 B19R2.296863 COC1=CC=C2OC(=C(C2=C1)C(=O)CN(C)C)C MCULE-2572969600 [0,2,0,0,0,0|1,0,1]=4 164 B19R2.1645503 COC(=O)C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3035885478 [0,2,0,0,0,0|2,0,0]=4 165 B19R2.1645503 COC(=O)C[C@@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-3990123306 [0,2,0,0,0,0|2,0,0]=4 166 B19R2.1645503 COC(=O)C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-1217679962 [0,2,0,0,0,0|2,0,0]=4 167 B19R2.1645503 COC(=O)C[C@H](N)C1=CNC2=CC=C(C=C12)OC MCULE-4366451566 [0,2,0,0,0,0|2,0,0]=4 168 B19R2.195244 COC(=O)C(N)CC1=CNC2=C1C=C(C=C2)OC MCULE-1488716335 [0,2,0,0,0,0|2,0,0]=4 169 B19R2.1645536 CCN(CC)CCC1=CNC2=C1C=C(C=C2)OC MCULE-2917925129 [0,2,0,0,0,0|0,0,0]=2 170 B19R2.1645536 CCN(CC)CCC1=CNC2=CC=C(C=C12)OC MCULE-3223430474 [0,2,0,0,0,0|0,0,0]=2 171 B19R2.6651977 CCOC(=O)CCC1=CNC2=C1C=C(C=C2)OC MCULE-5074059906 [0,2,0,0,0,0|2,0,0]=4 172 B19R2.296881 CCC1=C(C2=C(N1)C=CC(=C2)OC)CCN(C)C MCULE-4793152982 [0,2,0,0,0,0|0,0,0]=2 173 B19R2.296881 CCC1=C(C2=CC(=CC=C2N1)OC)CCN(C)C MCULE-6556531461 [0,2,0,0,0,0|0,0,0]=2 174 B19R2.296881 COC1=CC=C2NC(=C(C2=C1)/N=C/N(C)C)C=O MCULE-7215203095 [0,2,0,0,0,0|1,0,1]=4 175 B17R3.19747 CC1=CC2=C(C=C1)NC3=C2CCC(C3)N MCULE-3152013269 [1,0,0,1,0,0|2,0,0]=4 176 B17R3.19747 CC1=CC2=C(C=C1)NC3=C2CCN(C3)C MCULE-8945861219 [1,0,0,1,0,0|0,0,0]=2 177 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCCC3 MCULE-5586483608 [1,0,0,1,0,0|1,0,0]=3 178 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 MCULE-4067050427 [1,0,0,1,0,0|0,0,0]=2 179 B17R3.1513 COC1=CC2=C(C=C1)NC3=C2CCNC3 MCULE-7776419556 [1,0,0,1,0,0|0,0,0]=2 180 B17R3.1513 COC1=CC=C2NC3=C(C2=C1)CNCC3 MCULE-3171474171 [1,0,0,1,0,0|2,0,0]=4 181 B17R3.1513 COC1=CC=C2NC3=C(C2=C1)CNCC3 MCULE-7764312699 [1,0,0,1,0,0|2,0,0]=4 182 B17R3.94530 COC1=CC2=C(C=C1)NC3=C2CCC3=O MCULE-3820987749 [1,0,0,1,0,0|2,0,0]=4 183 B17R3.94970 COC1=CC=C2NC=C(C2=C1)[C@@H]3CCN3 MCULE-1582381661 [1,0,0,1,0,0|2,0,0]=4 184 B17R3.94970 COC1=CC=C2NC=C(C2=C1)[C@@H]3CCN3 MCULE-4314646453 [1,0,0,1,0,0|2,0,0]=4 185 B17R3.94970 COC1=CC=C2NC=C(C2=C1)[C@H]3CCN3 MCULE-3666815485 [1,0,0,1,0,0|2,0,0]=4 186 B17R3.94970 COC1=CC=C2NC=C(C2=C1)[C@H]3CCN3 MCULE-6477269596 [1,0,0,1,0,0|2,0,0]=4 187 B17R3.94568 COC1=CC2=C(C=C1)NC3=C2CC(C3)N MCULE-2320865798 [0,0,0,1,1,0|2,0,0]=4 188 B19R3.1571156 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC3CC3 MCULE-5823609487 [0,1,0,1,0,0|1,0,0]=3 189 B19R3.1571156 COC1=CC=C2NC=C(C2=C1)[C@@H](N)CC3CC3 MCULE-7627849606 [0,1,0,1,0,0|1,0,0]=3 190 B19R3.1571156 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC3CC3 MCULE-6711616557 [0,1,0,1,0,0|1,0,0]=3 191 B19R3.1571156 COC1=CC=C2NC=C(C2=C1)[C@H](N)CC3CC3 MCULE-9463117496 [0,1,0,1,0,0|1,0,0]=3 192 B19R3.306566 COC1=CC2=C(C=C1)NC3=C2CCN(CC3)C MCULE-1240478040 [0,1,0,1,0,0|0,0,0]=2 193 B19R3.306566 COC1=CC2=C(C=C1)NC3=C2CCN(CC3)C MCULE-2594223399 [0,1,0,1,0,0|0,0,0]=2 194 B15R1.4 COC1=CC=C(C=C1)C=CCNC(C)C MCULE-3280112659 [0,0,1,0,1,0|2,0,0]=4 195 B15R1.4 COC1=CC=C(C=C1)C=CCNC(C)C MCULE-9615016314 [0,0,1,0,1,0|2,0,0]=4 196 B15R1.4 COC1=CC=C(C=C1)CNCCN(C)C MCULE-9273901455 [0,0,1,0,1,0|1,0,1]=4 197 B15R2.9410 CC(C)CC1=CNC2=C1C=C(C=C2)F MCULE-1453913066 [1,0,0,0,1,0|2,0,0]=4 198 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O MCULE-7600122348 [1,0,0,0,1,0|2,0,0]=4 199 B15R2.9410 CC(N)CC1=CNC2=C1C=C(C=C2)O MCULE-7768148728 [1,0,0,0,1,0|2,0,0]=4 200 B15R2.9410 CC(N)CC1=CNC2=CC=C(C=C12)O MCULE-2734017010 [1,0,0,0,1,0|2,0,0]=4 201 B15R2.9410 CC1=CC2=C(C=C1)NC=C2CC(C)N MCULE-4929700306 [1,0,0,0,1,0|2,0,0]=4 202 B15R2.9410 CC1=CC=C2NC=C(C2=C1)CN(C)C MCULE-1239304316 [1,0,0,0,1,0|0,0,0]=2 203 B15R2.9410 CC1=CN2C(=CN=C2C=C1)CN(C)C MCULE-8827475975 [1,0,0,0,1,0|1,0,1]=4 204 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)Br MCULE-7969751778 [1,0,0,0,1,0|1,0,0]=3 205 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)Cl MCULE-6526064946 [1,0,0,0,1,0|1,0,0]=3 206 B15R2.9410 CN(C)CC1=CNC2=C1C=C(C=C2)N MCULE-8554220221 [1,0,0,0,1,0|1,0,0]=3 207 B15R2.9410 CN(C)CC1=CNC2=CC=C(C=C12)F MCULE-1783162847 [1,0,0,0,1,0|1,0,0]=3 208 B15R2.9410 CN(C)CC1=CNC2=NC=C(C=C12)Br MCULE-8524184964 [1,0,0,0,1,0|2,0,0]=4 209 B15R2.9410 C[C@@H](N)CC1=CNC2=CC=C(C=C12)O MCULE-2319511262 [1,0,0,0,1,0|2,0,0]=4 210 B15R2.9410 C[C@@H](N)CC1=CNC2=CC=C(C=C12)O MCULE-5638747243 [1,0,0,0,1,0|2,0,0]=4 211 B15R2.3137 COC1=CC2=C(C=C1)NC=C2[C@@H](C)N MCULE-8043457343 [0,0,0,0,2,0|2,0,0]=4 212 B15R2.3137 COC1=CC=C2NC=C(C2=C1)C(=O)C MCULE-1242008294 [0,0,0,0,2,0|2,0,0]=4 213 B15R2.3137 COC1=CC=C2NC=C(C2=C1)[C@@H](C)N MCULE-6922760648 [0,0,0,0,2,0|2,0,0]=4 214 B15R2.3137 COC1=CC=C2NC=C(C2=C1)[C@H](C)N MCULE-4782692324 [0,0,0,0,2,0|2,0,0]=4 215 B15R2.3137 COC1=CC=C2NC=C(C2=C1)[C@H](C)N MCULE-6683224257 [0,0,0,0,2,0|2,0,0]=4 216 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)C MCULE-7874779669 [1,0,0,0,0,1|2,0,0]=4 217 B17R2.25462 CC(=O)NCCC1=CNC2=C1C=C(C=C2)O MCULE-4114943625 [1,0,0,0,0,1|2,0,0]=4 218 B17R2.2764 COC1=CC=C2C(=CNC2=C1)CCN(C)C MCULE-4327237078 [0,0,0,0,1,1|0,0,0]=2 219 B17R2.63388 COC1=CC=CC2=C1C(=CN2)CCN(C)C MCULE-9780270462 [0,0,0,0,1,1|0,0,0]=2