0 B16R2.2832 NC1=NN(C=C1)CCCC2=CC=CC=C2 MCULE-4574836090 [0,0,0,0,0,0|3,0,1]=4 1 B16R2.2832 NC1=NNC(=C1)COCC2=CC=CC=C2 MCULE-1537679936 [0,0,0,0,0,0|3,0,1]=4 2 B16R2.2832 O=C1CC[C@H](N1)CNCC2=CC=CC=C2 MCULE-1497422530 [0,0,0,0,0,0|3,0,1]=4 3 B16R2.2832 O=C1CC[C@H](N1)CNCC2=CC=CC=C2 MCULE-4521581871 [0,0,0,0,0,0|3,0,1]=4 4 B16R2.2832 O=C1CC[C@H](N1)CNCC2=CC=CC=C2 MCULE-4557004411 [0,0,0,0,0,0|3,0,1]=4 5 B16R2.2832 O=C1CC[C@H](N1)CNCC2=CC=CC=C2 MCULE-9496268863 [0,0,0,0,0,0|3,0,1]=4 6 B16R2.2832 O=C1NCC(O1)COCC2=CC=CC=C2 MCULE-9640739284 [0,0,0,0,0,0|3,0,0]=3 7 B16R2.2832 O=C1OCC(O1)COCC2=CC=CC=C2 MCULE-3408027573 [0,0,0,0,0,0|2,0,0]=2 8 B15R2.2196 C1=CC=C(C=C1)CNCC2CCOC2 MCULE-1866307948 [1,0,0,0,0,0|2,0,1]=4 9 B15R2.2196 C1=CC=C(C=C1)CNCC2CCOC2 MCULE-4208115655 [1,0,0,0,0,0|2,0,1]=4 10 B15R2.2196 C1=CC=C(C=C1)COCC2CCCN2 MCULE-7407286428 [1,0,0,0,0,0|1,0,2]=4 11 B15R2.2196 C1=CC=C(C=C1)COCC2CCNC2 MCULE-7769548991 [1,0,0,0,0,0|2,0,1]=4 12 B15R2.2196 C1=CC=C(C=C1)COCN2N=CN=N2 MCULE-8002312822 [1,0,0,0,0,0|3,0,0]=4 13 B15R2.2196 C1=CC=C(C=C1)COC[C@@H]2CCCN2 MCULE-9936096300 [1,0,0,0,0,0|1,0,2]=4 14 B15R2.2196 C1=CC=C(C=C1)COC[C@H]2CCCN2 MCULE-5013892307 [1,0,0,0,0,0|1,0,2]=4 15 B15R2.2196 C1=CC=C(C=C1)COC[C@H]2CCCN2 MCULE-7855529490 [1,0,0,0,0,0|1,0,2]=4 16 B17R2.3348 O=C1N[C@@H](C(=O)O1)COCC2=CC=CC=C2 MCULE-8797353403 [0,1,0,0,0,0|1,0,2]=4 17 B17R2.3348 O=C1N[C@H](C(=O)O1)COCC2=CC=CC=C2 MCULE-8065076596 [0,1,0,0,0,0|1,0,2]=4 18 B17R2.20821 CC1(OCC(O1)COCC2=CC=CC=C2)C MCULE-8156212366 [0,1,0,0,0,0|2,0,1]=4 19 B17R2.20821 CC1(OC[C@@H](O1)COCC2=CC=CC=C2)C MCULE-6835119155 [0,1,0,0,0,0|2,0,1]=4 20 B17R2.20821 CC1(OC[C@@H](O1)COCC2=CC=CC=C2)C MCULE-6848847063 [0,1,0,0,0,0|2,0,1]=4 21 B17R2.20821 CC1(OC[C@H](O1)COCC2=CC=CC=C2)C MCULE-1692080532 [0,1,0,0,0,0|2,0,1]=4 22 B17R2.20821 CC1(OC[C@H](O1)COCC2=CC=CC=C2)C MCULE-6150313218 [0,1,0,0,0,0|2,0,1]=4 23 B15R1.504 C=C(C)CCCCOCC1=CC=CC=C1 MCULE-7014269025 [0,0,1,0,0,0|3,0,0]=4 24 B15R1.504 O=C(O)CCCCOCC1=CC=CC=C1 MCULE-2320055854 [0,0,1,0,0,0|3,0,0]=4 25 B15R1.962 COC(=O)CCCNCC1=CC=CC=C1 MCULE-3339695532 [0,0,1,0,0,0|3,0,0]=4 26 B15R1.962 COC(=O)CCCNCC1=CC=CC=C1 MCULE-8496774056 [0,0,1,0,0,0|3,0,0]=4 27 B15R1.962 COC(=O)CCCOCC1=CC=CC=C1 MCULE-8311539212 [0,0,1,0,0,0|2,0,0]=3 28 B15R1.962 COC(=O)NCCCCC1=CC=CC=C1 MCULE-6160212054 [0,0,1,0,0,0|2,0,1]=4 29 B15R1.9084 CC(=O)CC(C)COCC1=CC=CC=C1 MCULE-5182441459 [0,0,1,0,0,0|2,0,1]=4 30 B15R1.9084 CC(COCC1=CC=CC=C1)CC(=O)O MCULE-5531235538 [0,0,1,0,0,0|2,0,0]=3 31 B15R1.9084 O=C(O)CC(O)COCC1=CC=CC=C1 MCULE-3142151617 [0,0,1,0,0,0|3,0,0]=4 32 B17R3.3273 O=C1CCC2N1C(OC2)C3=CC=CC=C3 MCULE-1559234241 [0,0,0,1,0,0|2,0,1]=4 33 B17R3.3273 O=C1CCC2N1[C@H](OC2)C3=CC=CC=C3 MCULE-7874054452 [0,0,0,1,0,0|2,0,1]=4 34 B17R3.3273 [C@@H]12CCC(=O)N1[C@@H](OC2)C3=CC=CC=C3 MCULE-1876034810 [0,0,0,1,0,0|2,0,1]=4 35 B17R3.3273 [C@@H]12CCC(=O)N1[C@H](OC2)C3=CC=CC=C3 MCULE-1510425019 [0,0,0,1,0,0|2,0,1]=4 36 B17R3.3273 [C@@H]12CCC(=O)N1[C@H](OC2)C3=CC=CC=C3 MCULE-6812200867 [0,0,0,1,0,0|2,0,1]=4 37 B17R3.3273 [C@H]12CCC(=O)N1[C@@H](OC2)C3=CC=CC=C3 MCULE-3417807852 [0,0,0,1,0,0|2,0,1]=4 38 B17R3.3273 [C@H]12CCC(=O)N1[C@@H](OC2)C3=CC=CC=C3 MCULE-6482253789 [0,0,0,1,0,0|2,0,1]=4 39 B17R3.3273 [C@H]12CCC(=O)N1[C@H](OC2)C3=CC=CC=C3 MCULE-1716524058 [0,0,0,1,0,0|2,0,1]=4 40 B17R3.3273 [C@H]12CCC(=O)N1[C@H](OC2)C3=CC=CC=C3 MCULE-4286095545 [0,0,0,1,0,0|2,0,1]=4 41 B15R2.283 CC1=NC(=NO1)COC2=CC=CC=C2 MCULE-7186792478 [0,0,0,0,1,0|2,0,1]=4 42 B15R2.283 NC1=CC(=NO1)CCC2=CC=CC=C2 MCULE-2581461020 [0,0,0,0,1,0|2,0,1]=4 43 B15R2.283 NC1=NC(=CS1)COC2=CC=CC=C2 MCULE-3175648094 [0,0,0,0,1,0|0,1,2]=4 44 B15R2.283 NC1=NC(=CS1)COC2=CC=CC=C2 MCULE-9955414727 [0,0,0,0,1,0|0,1,2]=4 45 B15R2.283 NC1=NC(=NN1)COC2=CC=CC=C2 MCULE-3805018096 [0,0,0,0,1,0|2,0,1]=4 46 B15R2.283 NC1=NN(C=C1)CCC2=CC=CC=C2 MCULE-5871082720 [0,0,0,0,1,0|2,0,1]=4 47 B15R2.283 NC1=NN(C=N1)CCC2=CC=CC=C2 MCULE-4162033220 [0,0,0,0,1,0|2,0,1]=4 48 B15R2.283 NC1=NNC(=N1)CCC2=CC=CC=C2 MCULE-4683200245 [0,0,0,0,1,0|2,0,1]=4 49 B15R2.283 O=C1C=C(CO1)OCC2=CC=CC=C2 MCULE-7533833458 [0,0,0,0,1,0|2,0,1]=4 50 B15R2.283 O=C1CCC(C1)OCC2=CC=CC=C2 MCULE-5922744571 [0,0,0,0,1,0|3,0,0]=4 51 B15R2.283 O=C1NC(CO1)CCC2=CC=CC=C2 MCULE-6273263074 [0,0,0,0,1,0|1,0,1]=3 52 B15R2.283 O=S1OCC(O1)COC2=CC=CC=C2 MCULE-4229492085 [0,0,0,0,1,0|3,0,0]=4 53 B15R2.342 O=C1CCC1COCC2=CC=CC=C2 MCULE-4706736057 [0,0,0,0,1,0|2,0,0]=3 54 B15R2.342 OC1CCC1COCC2=CC=CC=C2 MCULE-6874603030 [0,0,0,0,1,0|2,0,1]=4 55 B15R2.342 O[C@H]1CC[C@@H]1COCC2=CC=CC=C2 MCULE-3893676109 [0,0,0,0,1,0|2,0,1]=4 56 B15R2.617 C=C1CC(C1)COCC2=CC=CC=C2 MCULE-8813833058 [0,0,0,0,1,0|2,0,0]=3 57 B15R2.617 O=C1CC(C1)COCC2=CC=CC=C2 MCULE-9328224917 [0,0,0,0,1,0|2,0,0]=3 58 B15R2.617 OC1CC(C1)COCC2=CC=CC=C2 MCULE-9280193768 [0,0,0,0,1,0|2,0,1]=4 59 B15R2.617 O[C@H]1C[C@@H](C1)COCC2=CC=CC=C2 MCULE-4160474036 [0,0,0,0,1,0|2,0,1]=4 60 B15R2.617 O[C@H]1C[C@H](C1)COCC2=CC=CC=C2 MCULE-3433129447 [0,0,0,0,1,0|2,0,1]=4 61 B17R2.216 O=C1CCC(CC1)COCC2=CC=CC=C2 MCULE-4872866656 [0,0,0,0,0,1|3,0,0]=4 62 B17R2.216 O=C1CCC(OC1)COCC2=CC=CC=C2 MCULE-1789903259 [0,0,0,0,0,1|3,0,0]=4 63 B14R1.123 C=CCCCCOCC1=CC=CC=C1 MCULE-5749031983 [1,0,1,0,0,0|2,0,0]=4 64 B14R1.123 O=CCCCCOCC1=CC=CC=C1 MCULE-5126072701 [1,0,1,0,0,0|2,0,0]=4 65 B14R1.520 C=CC[C@@H](O)COCC1=CC=CC=C1 MCULE-2451652235 [1,0,1,0,0,0|2,0,0]=4 66 B14R1.520 NCCC(O)COCC1=CC=CC=C1 MCULE-1325724474 [1,0,1,0,0,0|1,0,1]=4 67 B14R1.520 NCC[C@@H](O)COCC1=CC=CC=C1 MCULE-8712071204 [1,0,1,0,0,0|1,0,1]=4 68 B14R1.520 NCC[C@@H](O)COCC1=CC=CC=C1 MCULE-9767127991 [1,0,1,0,0,0|1,0,1]=4 69 B14R1.520 NCC[C@H](O)COCC1=CC=CC=C1 MCULE-2283985854 [1,0,1,0,0,0|1,0,1]=4 70 B14R1.520 NCC[C@H](O)COCC1=CC=CC=C1 MCULE-2871394385 [1,0,1,0,0,0|1,0,1]=4 71 B14R1.422 CC(=O)CCCOCC1=CC=CC=C1 MCULE-8063869995 [1,0,1,0,0,0|2,0,0]=4 72 B14R1.422 N=C(N)CCCOCC1=CC=CC=C1 MCULE-4310995221 [1,0,1,0,0,0|2,0,0]=4 73 B14R1.422 N=C(N)CCCOCC1=CC=CC=C1 MCULE-7588777175 [1,0,1,0,0,0|2,0,0]=4 74 B14R1.422 O=C(O)CCCOCC1=CC=CC=C1 MCULE-3020556599 [1,0,1,0,0,0|2,0,0]=4 75 B14R1.546 OCC(CO)COCC1=CC=CC=C1 MCULE-3372718129 [1,0,1,0,0,0|1,0,1]=4 76 B16R1.1166 NNC(=O)CCCCOCC1=CC=CC=C1 MCULE-1301299824 [0,1,1,0,0,0|2,0,0]=4 77 B16R1.932 CCOC(=O)CCCOCC1=CC=CC=C1 MCULE-7664848750 [0,1,1,0,0,0|2,0,0]=4 78 B16R2.3250 OC1CC=CC1COCC2=CC=CC=C2 MCULE-1941849424 [1,1,0,0,0,0|2,0,0]=4 79 B16R2.3250 O[C@@H]1CC=C[C@@H]1COCC2=CC=CC=C2 MCULE-5117053494 [1,1,0,0,0,0|2,0,0]=4 80 B16R2.3250 O[C@H]1CC=C[C@@H]1COCC2=CC=CC=C2 MCULE-2167449032 [1,1,0,0,0,0|2,0,0]=4 81 B16R2.3250 O[C@H]1CC=C[C@@H]1COCC2=CC=CC=C2 MCULE-3339411302 [1,1,0,0,0,0|2,0,0]=4 82 B16R2.3250 O[C@H]1CC=C[C@@H]1COCC2=CC=CC=C2 MCULE-5443242122 [1,1,0,0,0,0|2,0,0]=4 83 B16R2.14780 CC1(CCOC1)COCC2=CC=CC=C2 MCULE-9763550563 [1,1,0,0,0,0|1,0,1]=4 84 B16R2.137 O=C1NC(CO1)CCC2=CC=C(C=C2)F MCULE-7618325601 [0,1,0,0,1,0|1,0,1]=4 85 B16R2.2334 NCC1=NC(=NO1)COC2=CC=CC=C2 MCULE-4451156619 [0,1,0,0,1,0|1,0,1]=4 86 B16R2.2334 NCC1=NC(=NO1)COC2=CC=CC=C2 MCULE-7739186508 [0,1,0,0,1,0|1,0,1]=4 87 B18R2.3723 O=C(CC1COC(=O)N1)OCC2=CC=CC=C2 MCULE-8231740048 [0,1,0,0,0,1|1,0,1]=4 88 B18R2.3723 O=C(C[C@H]1COC(=O)N1)OCC2=CC=CC=C2 MCULE-2226655627 [0,1,0,0,0,1|1,0,1]=4 89 B18R2.3723 O=C(C[C@H]1COC(=O)N1)OCC2=CC=CC=C2 MCULE-7624033353 [0,1,0,0,0,1|1,0,1]=4 90 B16R2.132 O=C1OCC(CO1)OCC2=CC=CC=C2 MCULE-1786582897 [0,0,1,1,0,0|2,0,0]=4 91 B14R1.716 COC(=O)CCCCC1=CC=CC=C1 MCULE-3768861727 [0,0,1,0,1,0|2,0,0]=4 92 B14R1.716 COC(=O)CCCOC1=CC=CC=C1 MCULE-8338072607 [0,0,1,0,1,0|2,0,0]=4 93 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 MCULE-3104170816 [0,0,1,0,1,0|2,0,0]=4 94 B14R1.716 COC(=O)CCNCC1=CC=CC=C1 MCULE-5744013357 [0,0,1,0,1,0|2,0,0]=4 95 B14R1.716 COC(=O)CCOCC1=CC=CC=C1 MCULE-4062318692 [0,0,1,0,1,0|1,0,0]=3 96 B14R1.716 COC(=O)NCCOC1=CC=CC=C1 MCULE-9847552847 [0,0,1,0,1,0|1,0,1]=4 97 B14R1.716 N/C(=N\O)/CCOCC1=CC=CC=C1 MCULE-8518066557 [0,0,1,0,1,0|2,0,0]=4 98 B14R1.818 CC(CCC1=CC=CC=C1)CC(=O)O MCULE-1602400546 [0,0,1,0,1,0|2,0,0]=4 99 B14R1.818 CC(CCC1=CC=CC=C1)NC(=N)N MCULE-9773716893 [0,0,1,0,1,0|1,0,1]=4 100 B14R1.6449 CC(CCCC1=CC=CC=C1)C(=O)O MCULE-8066373993 [0,0,1,0,1,0|2,0,0]=4 101 B14R1.6449 CC(CSCC1=CC=CC=C1)C(=O)O MCULE-6035407655 [0,0,1,0,1,0|1,1,0]=4 102 B14R1.6449 NC(=O)C(O)COCC1=CC=CC=C1 MCULE-6758858222 [0,0,1,0,1,0|1,0,1]=4 103 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O MCULE-1265516997 [0,0,1,0,1,0|2,0,0]=4 104 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O MCULE-3785059492 [0,0,1,0,1,0|2,0,0]=4 105 B14R1.6449 NC(COCC1=CC=CC=C1)C(=O)O MCULE-4220887608 [0,0,1,0,1,0|2,0,0]=4 106 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O MCULE-1645752790 [0,0,1,0,1,0|2,0,0]=4 107 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O MCULE-4924187710 [0,0,1,0,1,0|2,0,0]=4 108 B14R1.6449 N[C@@H](COCC1=CC=CC=C1)C(=O)O MCULE-9074769708 [0,0,1,0,1,0|2,0,0]=4 109 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O MCULE-3647708151 [0,0,1,0,1,0|2,0,0]=4 110 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O MCULE-5374236684 [0,0,1,0,1,0|2,0,0]=4 111 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O MCULE-8269718987 [0,0,1,0,1,0|2,0,0]=4 112 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O MCULE-8713253263 [0,0,1,0,1,0|2,0,0]=4 113 B14R1.6449 O=C(O)C(Cl)COCC1=CC=CC=C1 MCULE-4750944771 [0,0,1,0,1,0|2,0,0]=4 114 B14R1.6449 O=C(O)C(O)COCC1=CC=CC=C1 MCULE-4066271234 [0,0,1,0,1,0|2,0,0]=4 115 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 MCULE-3145135139 [0,0,1,0,1,0|2,0,0]=4 116 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 MCULE-6204602011 [0,0,1,0,1,0|2,0,0]=4 117 B14R1.6449 [C@H](N)(COCC1=CC=CC=C1)C(=O)O MCULE-9191796404 [0,0,1,0,1,0|2,0,0]=4 118 B14R2.101 C1=CC=C(C=C1)COC2CC=CC2 MCULE-9478198384 [1,0,0,0,1,0|2,0,0]=4 119 B14R2.101 C1=CC=C(C=C1)OCC2CCOC2 MCULE-9858232694 [1,0,0,0,1,0|1,0,1]=4 120 B14R2.3019 C1=CC=C(C=C1)COCC2CCN2 MCULE-3840368783 [1,0,0,0,1,0|0,0,2]=4 121 B14R2.3019 C1=CC=C(C=C1)COCC2CNC2 MCULE-3040598103 [1,0,0,0,1,0|1,0,1]=4 122 B14R2.3019 C1=CC=C(C=C1)COCC2COC2 MCULE-9799363615 [1,0,0,0,1,0|0,0,1]=3 123 B14R2.19 C1(COC(=O)N1)CC2=CC=CC=C2 MCULE-6384020066 [0,0,0,0,2,0|1,0,1]=4 124 B14R2.19 CC1=NC(CO1)CC2=CC=CC=C2 MCULE-3250214698 [0,0,0,0,2,0|1,0,0]=3 125 B14R2.19 O=C1CC(CO1)CC2=CC=CC=C2 MCULE-9460252061 [0,0,0,0,2,0|2,0,0]=4 126 B14R2.19 O=C1NC(CO1)CC2=CC=CC=C2 MCULE-4264667095 [0,0,0,0,2,0|1,0,1]=4 127 B14R2.19 O=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-3460265096 [0,0,0,0,2,0|1,0,1]=4 128 B14R2.19 O=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-6526627804 [0,0,0,0,2,0|1,0,1]=4 129 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-3967061410 [0,0,0,0,2,0|1,0,1]=4 130 B14R2.19 O=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-5839079000 [0,0,0,0,2,0|1,0,1]=4 131 B14R2.19 S=C1NC(CO1)CC2=CC=CC=C2 MCULE-6218653245 [0,0,0,0,2,0|1,0,1]=4 132 B14R2.19 S=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-4499729230 [0,0,0,0,2,0|1,0,1]=4 133 B14R2.19 S=C1N[C@@H](CO1)CC2=CC=CC=C2 MCULE-9338198213 [0,0,0,0,2,0|1,0,1]=4 134 B14R2.19 S=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-1603030546 [0,0,0,0,2,0|1,0,1]=4 135 B14R2.19 S=C1N[C@H](CO1)CC2=CC=CC=C2 MCULE-7423242801 [0,0,0,0,2,0|1,0,1]=4 136 B14R2.31 NC1CCC1OCC2=CC=CC=C2 MCULE-4910523439 [0,0,0,0,2,0|1,0,1]=4 137 B14R2.31 NC1CCC1OCC2=CC=CC=C2 MCULE-5308041339 [0,0,0,0,2,0|1,0,1]=4 138 B14R2.31 O=C1CCC1OCC2=CC=CC=C2 MCULE-2578515081 [0,0,0,0,2,0|2,0,0]=4 139 B14R2.31 O=C1CC[C@@H]1OCC2=CC=CC=C2 MCULE-6067701184 [0,0,0,0,2,0|2,0,0]=4 140 B14R2.436 NC1CC(C1)OCC2=CC=CC=C2 MCULE-4772801036 [0,0,0,0,2,0|1,0,1]=4 141 B14R2.436 NC1CC(C1)OCC2=CC=CC=C2 MCULE-5484884336 [0,0,0,0,2,0|1,0,1]=4 142 B14R2.436 N[C@H]1C[C@@H](C1)OCC2=CC=CC=C2 MCULE-1012749172 [0,0,0,0,2,0|1,0,1]=4 143 B14R2.436 N[C@H]1C[C@@H](C1)OCC2=CC=CC=C2 MCULE-7571681852 [0,0,0,0,2,0|1,0,1]=4 144 B14R2.436 N[C@H]1C[C@H](C1)OCC2=CC=CC=C2 MCULE-8616945599 [0,0,0,0,2,0|1,0,1]=4 145 B14R2.436 O=C1CC(C1)OCC2=CC=CC=C2 MCULE-7729629224 [0,0,0,0,2,0|2,0,0]=4 146 B16R1.596 O=C(O)COCCCOCC1=CC=CC=C1 MCULE-3541647685 [0,0,1,0,0,1|2,0,0]=4