0 B22R3.343922 CC1CNCCN1S(=O)(=O)C2=C3C=CN=CC3=CC=C2 MCULE-4563784813 [0,0,0,0,0,0|0,0,0]=0 1 B22R3.343922 CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3 MCULE-4331985916 [0,0,0,0,0,0|0,0,0]=0 2 B22R3.343922 C[C@@H]1CNCCN1S(=O)(=O)C2=C3C=CN=CC3=CC=C2 MCULE-7865543158 [0,0,0,0,0,0|0,0,0]=0 3 B22R3.343922 C[C@@H]1CNCCN1S(=O)(=O)C2=CC=CC3=CN=CC=C23 MCULE-1244286078 [0,0,0,0,0,0|0,0,0]=0 4 B21R3.18309 CC1CCCCN1C(=O)C2=CC=CC3=C2C=CC=C3 MCULE-4891464276 [1,0,0,0,0,0|3,0,0]=4 5 B21R3.18309 CC1CNCCN1C(=O)C2=C3C=CC=CC3=CC=C2 MCULE-6079352476 [1,0,0,0,0,0|2,0,0]=3 6 B21R3.18309 CC1CNCCN1C(=O)C2=C3C=CC=CC3=CC=N2 MCULE-3306066875 [1,0,0,0,0,0|3,0,0]=4 7 B21R3.18309 CC1CNCCN1C(=O)C2=NC=CC3=C2C=CC=C3 MCULE-9665483504 [1,0,0,0,0,0|3,0,0]=4 8 B21R3.157499 O=S(=O)(C1=C2C=CC=CC2=CC=C1)N3CCCCC3 MCULE-2779630320 [1,0,0,0,0,0|2,0,0]=3 9 B21R3.157499 O=S(=O)(C1=C2C=CN=CC2=CC=C1)N3CCNCC3 MCULE-5507938888 [1,0,0,0,0,0|0,0,0]=1 10 B21R3.157499 O=S(=O)(C1=C2C=CN=CC2=CC=C1)N3CCNCC3 MCULE-6749362565 [1,0,0,0,0,0|0,0,0]=1 11 B21R3.157499 O=S(=O)(C1=C2N=CC=CC2=CC=C1)N3CCOCC3 MCULE-7512473372 [1,0,0,0,0,0|3,0,0]=4 12 B21R3.157499 O=S(=O)(C1=CC=CC2=C1N=CC=C2)N3CCCCC3 MCULE-9643738242 [1,0,0,0,0,0|3,0,0]=4 13 B21R3.157499 O=S(=O)(C1=CC=CC2=CC=CC=C12)N3CCOCC3 MCULE-4027318017 [1,0,0,0,0,0|2,0,0]=3 14 B21R3.157499 O=S(=O)(C1=CC=CC2=CC=CC=C12)N3CCSCC3 MCULE-3360046304 [1,0,0,0,0,0|2,0,0]=3 15 B23R3.17860971 CC1CCCC(N1S(=O)(=O)C2=C3N=CC=CC3=CC=C2)C MCULE-2447756902 [0,1,0,0,0,0|3,0,0]=4 16 B23R3.76288100 CC1CCCCN1S(=O)(=O)C2=C3C=CC=CC3=C(C=C2)Br MCULE-4317974275 [0,1,0,0,0,0|2,0,0]=3 17 B21R2.12778654 CCCCN(CC)S(=O)(=O)C1=CC=CC2=C1N=CC=C2 MCULE-1962206946 [0,0,1,0,0,0|3,0,0]=4 18 B21R2.25980065 NCCCCCNS(=O)(=O)C1=C2C=CC=CC2=CC=C1 MCULE-1964577452 [0,0,1,0,0,0|3,0,0]=4 19 B21R2.25980065 NCCCCCNS(=O)(=O)C1=C2C=CC=CC2=CC=C1 MCULE-2127151556 [0,0,1,0,0,0|3,0,0]=4 20 B23R4.1070659266 O=S(=O)(C1=C2C=CC=CC2=CC=C1)N3CC4CC3CO4 MCULE-9156223742 [0,0,0,1,0,0|2,0,0]=3 21 B23R4.1070659266 O=S(=O)(C1=C2C=CC=CC2=CC=C1)N3CC4CC3CS4 MCULE-5203467834 [0,0,0,1,0,0|2,0,0]=3 22 B23R4.1070659266 O=S(=O)(C1=C2N=CC=CC2=CC=C1)N3CC4CC3CO4 MCULE-2387372482 [0,0,0,1,0,0|3,0,0]=4 23 B23R4.1070659266 O=S(=O)(C1=C2N=CC=CC2=CC=C1)N3CC4CC3CS4 MCULE-6708872003 [0,0,0,1,0,0|3,0,0]=4 24 B21R3.3964741 CC1CCCCN1S(=O)(=O)C2=CC=CC3=NON=C23 MCULE-6845361034 [0,0,0,0,1,0|3,0,0]=4 25 B21R3.3964741 CC1CCCCN1S(=O)(=O)C2=CC=CC3=NSN=C23 MCULE-3886932771 [0,0,0,0,1,0|3,0,0]=4 26 B20R3.34883 O=C(C1=C2C=CC=CC2=CC=C1)N3CCNCC3 MCULE-3168779435 [2,0,0,0,0,0|2,0,0]=4 27 B20R3.34883 O=C(C1=C2C=CC=CC2=CC=C1)N3CCNCC3 MCULE-9401612916 [2,0,0,0,0,0|2,0,0]=4 28 B22R2.55697282 NCCCCCCNS(=O)(=O)C1=C2C=CC=CC2=CC=C1 MCULE-1643783656 [0,1,1,0,0,0|2,0,0]=4 29 B22R2.55697282 NCCCCCCNS(=O)(=O)C1=C2C=CC=CC2=CC=C1 MCULE-4130128710 [0,1,1,0,0,0|2,0,0]=4 30 B22R3.12509 CC1=CC2=C(N=C1)C(=CC=C2)S(=O)(=O)N3CCNCC3 MCULE-6374781591 [1,1,0,0,0,0|2,0,0]=4 31 B22R3.46310 CC1CCN(CC1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3 MCULE-1600966103 [1,1,0,0,0,0|2,0,0]=4 32 B22R3.46310 CN1CCN(CC1)S(=O)(=O)C2=C3C=CC=CC3=CC=C2 MCULE-3981102089 [1,1,0,0,0,0|1,0,0]=3 33 B22R3.46310 CN1CCN(CC1)S(=O)(=O)C2=C3N=CC=CC3=CC=C2 MCULE-9228322483 [1,1,0,0,0,0|2,0,0]=4 34 B22R3.239272 CC1CN(CCN1)S(=O)(=O)C2=C3C=CN=CC3=CC=C2 MCULE-9437510831 [1,1,0,0,0,0|0,0,0]=2 35 B22R3.239272 CC1CN(CCN1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3 MCULE-9156396560 [1,1,0,0,0,0|0,0,0]=2 36 B22R3.239272 N[C@@H]1CCCN(C1)S(=O)(=O)C2=C3C=CN=CC3=CC=C2 MCULE-5520766035 [1,1,0,0,0,0|1,0,0]=3 37 B22R3.239272 N[C@H]1CCCN(C1)S(=O)(=O)C2=CC=CC3=CN=CC=C23 MCULE-9076068192 [1,1,0,0,0,0|1,0,0]=3 38 B22R3.608368 NC1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCCCC3 MCULE-2885423486 [1,1,0,0,0,0|2,0,0]=4 39 B22R3.608368 NC1=CC=CC2=C1C=CC=C2S(=O)(=O)N3CCOCC3 MCULE-9165764424 [1,1,0,0,0,0|2,0,0]=4 40 B22R3.658073 CC1=C2C=CC=CC2=C(C=C1)S(=O)(=O)N3CCCCC3 MCULE-8016538777 [1,1,0,0,0,0|2,0,0]=4 41 B22R3.658073 CC1=C2C=CC=CC2=C(C=C1)S(=O)(=O)N3CCOCC3 MCULE-1597602562 [1,1,0,0,0,0|2,0,0]=4 42 B22R3.658073 O=S(=O)(C1=C2C=CC=CC2=C(C=C1)Br)N3CCCCC3 MCULE-8459824260 [1,1,0,0,0,0|2,0,0]=4 43 B22R3.658073 O=S(=O)(C1=C2C=CC=CC2=C(C=C1)Br)N3CCOCC3 MCULE-9180437005 [1,1,0,0,0,0|2,0,0]=4 44 B22R3.658073 O=S(=O)(C1=C2C=CC=CC2=C(C=C1)F)N3CCCCC3 MCULE-1886024931 [1,1,0,0,0,0|2,0,0]=4 45 B22R3.658073 O=S(=O)(C1=CC=C(C2=CC=CC=C12)Cl)N3CCCCC3 MCULE-1234658624 [1,1,0,0,0,0|2,0,0]=4 46 B22R3.658073 O=S(=O)(C1=CC=C(C2=CC=CC=C12)Cl)N3CCOCC3 MCULE-4521435881 [1,1,0,0,0,0|2,0,0]=4 47 B22R3.10325620 O=S(=O)(C1=C2C(=CC=CC2=CC=C1)Cl)N3CCCCC3 MCULE-7142809752 [1,1,0,0,0,0|2,0,0]=4 48 B22R3.10325620 O=S(=O)(C1=C2C(=CC=CC2=CC=C1)Cl)N3CCOCC3 MCULE-8764157129 [1,1,0,0,0,0|2,0,0]=4 49 B22R3.6680751 CC1CNCCN1S(=O)(=O)C2=CC=CC3=NN(N=C23)C MCULE-5871610658 [0,1,0,0,1,0|2,0,0]=4 50 B22R3.6680751 CC1CNCCN1S(=O)(=O)C2=CC=CC3=NN(N=C23)C MCULE-7557240032 [0,1,0,0,1,0|2,0,0]=4 51 B24R3.217953084 CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3C MCULE-1222280406 [0,1,0,0,0,1|0,0,0]=2 52 B24R3.217953084 CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3C MCULE-5359258033 [0,1,0,0,0,1|0,0,0]=2 53 B24R3.217953084 CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNC[C@@H]3C MCULE-4607771151 [0,1,0,0,0,1|0,0,0]=2 54 B24R3.217953084 CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNC[C@@H]3C MCULE-6166844753 [0,1,0,0,0,1|0,0,0]=2 55 B24R3.217953084 CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)N3CCCNC[C@@H]3C MCULE-1097808529 [0,1,0,0,0,1|0,0,0]=2 56 B24R3.217953084 CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)N3CCCNC[C@@H]3C MCULE-8137285114 [0,1,0,0,0,1|0,0,0]=2 57 B24R3.217953084 CC1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)F MCULE-7716851318 [0,1,0,0,0,1|0,0,0]=2 58 B24R3.217953084 CC1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C23)F MCULE-1941980387 [0,1,0,0,0,1|0,0,0]=2 59 B24R3.217953084 C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)F MCULE-2993750023 [0,1,0,0,0,1|0,0,0]=2 60 B24R3.217953084 C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)F MCULE-3588555889 [0,1,0,0,0,1|0,0,0]=2 61 B24R3.217953084 C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)F MCULE-4375501097 [0,1,0,0,0,1|0,0,0]=2 62 B24R3.217953084 C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=C2C(=CN=C3)F MCULE-8965351124 [0,1,0,0,0,1|0,0,0]=2 63 B24R3.217953084 C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C23)Br MCULE-4059197788 [0,1,0,0,0,1|0,0,0]=2 64 B24R3.217953084 C[C@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C23)Br MCULE-6035879924 [0,1,0,0,0,1|0,0,0]=2 65 B24R3.44865751 COC1=C2C=CC=CC2=C(C=C1)S(=O)(=O)N3CCCCC3C MCULE-3678340567 [0,2,0,0,0,0|2,0,0]=4 66 B22R3.253665 CC1CCCCN1S(=O)(=O)C2=CC3=CC=CC=C3C=C2 MCULE-4198541712 [0,0,1,1,0,0|2,0,0]=4 67 B22R3.42955490 O=S(=O)(C1=C2C=CC=CC2=CC=C1)N3CCCNCC3 MCULE-4357778651 [0,0,1,1,0,0|1,0,0]=3 68 B22R3.42955490 O=S(=O)(C1=C2C=CN=CC2=CC=C1)N3CCCNCC3 MCULE-1014093565 [0,0,1,1,0,0|0,0,0]=2 69 B22R3.42955490 O=S(=O)(C1=C2C=CN=CC2=CC=C1)N3CCCNCC3 MCULE-1374831127 [0,0,1,1,0,0|0,0,0]=2 70 B22R3.42955490 O=S(=O)(C1=CC=CC2=C1C=CN=C2)N3CCCNCC3 MCULE-1990782849 [0,0,1,1,0,0|0,0,0]=2 71 B22R3.42955490 O=S(=O)(C1=CC=CC2=C1C=CN=C2)N3CCCNCC3 MCULE-9210258301 [0,0,1,1,0,0|0,0,0]=2 72 B22R3.5612283 O=S(=O)(N[C@@H]1CCCNC1)C2=C3C=CN=CC3=CC=C2 MCULE-2455059820 [0,0,1,1,0,0|0,0,0]=2 73 B22R3.5612283 O=S(=O)(N[C@H]1CCCNC1)C2=C3C=CN=CC3=CC=C2 MCULE-8426880276 [0,0,1,1,0,0|0,0,0]=2 74 B20R3.95857 O=S(=O)(C1=C2C=CC=CC2=CC=C1)N3CCCC3 MCULE-3747966074 [1,0,0,0,1,0|1,0,0]=3 75 B20R3.95857 O=S(=O)(C1=C2C=CC=CC2=CC=C1)N3CCSC3 MCULE-8047768314 [1,0,0,0,1,0|2,0,0]=4 76 B20R3.95857 O=S(=O)(C1=CC=CC2=C1N=CC=C2)N3CCCC3 MCULE-5994699652 [1,0,0,0,1,0|2,0,0]=4 77 B20R3.2846561 O=S(=O)(C1=C2N=S=NC2=CC=C1)N3CCNCC3 MCULE-7764830646 [1,0,0,0,1,0|2,0,0]=4 78 B20R3.2846561 O=S(=O)(C1=CC=CC2=NON=C12)N3CCNCC3 MCULE-8892702478 [1,0,0,0,1,0|2,0,0]=4 79 B22R3.5612656 O=S(=O)(NC1=CC=CC2=CC=CC=C12)N3CCCCC3 MCULE-4870929983 [1,0,0,0,0,1|2,0,0]=4