0 B12R1.107 CC(=CC(=O)N1CCCCC1)N MCULE-9427119193 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.107 CC(=O)CC(=O)N1CCOCC1 MCULE-9461999975 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.107 CC(=O)NC(=S)N1CCOCC1 MCULE-7686053647 [0,0,0,0,0,0|3,0,0]=3 3 B12R1.107 CC(C)NC(=O)N1CCOCC1 MCULE-8109037700 [0,0,0,0,0,0|3,0,1]=4 4 B12R1.107 C[C@@H](N)CC(=O)N1CCOCC1 MCULE-2327911867 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.107 C[C@H](N)CC(=O)N1CCOCC1 MCULE-9148399692 [0,0,0,0,0,0|3,0,1]=4 6 B12R1.107 N=C(N)/N=C(/N)\N1CCOCC1 MCULE-8580824588 [0,0,0,0,0,0|0,0,2]=2 7 B12R1.107 N=C(N)CC(=O)N1CCCCC1 MCULE-5117500566 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.107 N=C(N)NC(=N)N1CCCCC1 MCULE-3368485014 [0,0,0,0,0,0|1,0,0]=1 9 B12R1.107 N=C(N)NC(=N)N1CCSCC1 MCULE-5817471669 [0,0,0,0,0,0|0,1,0]=1 10 B12R1.107 N=C(N)NC(=[NH2+])N1CCOCC1 MCULE-6852238035 [0,0,0,0,0,0|0,0,1]=1 11 B12R1.107 N=C(NN(=O)=O)N1CCSCC1 MCULE-4635574548 [0,0,0,0,0,0|3,1,0]=4 12 B12R1.107 NC(=S)CC(=O)N1CCCCC1 MCULE-6262226457 [0,0,0,0,0,0|4,0,0]=4 13 B12R1.107 NC(=S)CC(=O)N1CCOCC1 MCULE-6975223384 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.107 O=C(O)CC(=O)N1CCOCC1 MCULE-5354791137 [0,0,0,0,0,0|4,0,0]=4 15 B11R1.16 CCNC(=S)N1CCOCC1 MCULE-6708232825 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.16 N#CNC(=N)N1CCCCC1 MCULE-1713542934 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.16 NCCC(=O)N1CCOCC1 MCULE-4615347617 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.16 NCCC(=O)N1CCOCC1 MCULE-9900287476 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.16 NOCC(=O)N1CCOCC1 MCULE-2200891415 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.16 NOCC(=O)N1CCOCC1 MCULE-9344867252 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-4187671201 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-6812707919 [1,0,0,0,0,0|2,0,1]=4 23 B11R1.91 N=C(N)CCN1CCCCC1 MCULE-8802863643 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.91 N=C(N)CCN1CCOCC1 MCULE-1449111348 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.91 N=C(N)CCN1CCOCC1 MCULE-1784633607 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.91 N=C(N)NCC1CCCCC1 MCULE-5333495230 [1,0,0,0,0,0|2,0,1]=4 27 B11R1.91 N=C(N)NCC1CCCCC1 MCULE-6218164374 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.91 N=C(N)NCC1CCOCC1 MCULE-2530902636 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.91 N=C(N)NCC1CCOCC1 MCULE-3821702052 [1,0,0,0,0,0|1,0,1]=3 30 B11R1.91 NC(=O)CCN1CCOCC1 MCULE-3358887716 [1,0,0,0,0,0|2,0,1]=4 31 B11R1.91 NC(=S)C=CN1CCCCC1 MCULE-9588128303 [1,0,0,0,0,0|3,0,0]=4 32 B11R1.91 NC(=S)CCN1CCOCC1 MCULE-8347470895 [1,0,0,0,0,0|2,0,1]=4 33 B11R1.91 NC(=S)N=CN1CCOCC1 MCULE-8839031790 [1,0,0,0,0,0|1,0,1]=3 34 B13R1.11 COC(=O)NC(=S)N1CCOCC1 MCULE-9594208783 [0,1,0,0,0,0|3,0,0]=4 35 B13R1.11 N/C(=N\O)/CC(=O)N1CCCCC1 MCULE-8986363442 [0,1,0,0,0,0|3,0,0]=4 36 B13R1.132 CC1CCN(CC1)C(=N)NC(=N)N MCULE-1848817803 [0,1,0,0,0,0|1,0,0]=2 37 B13R1.132 CN1CCN(CC1)C(=N)NC(=N)N MCULE-4605124507 [0,1,0,0,0,0|1,0,0]=2 38 B13R2.10 BrC1=CN=C(S1)N2CCOCC2 MCULE-5080360488 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.10 BrC1=NC(=NN1)N2CCOCC2 MCULE-1864363043 [0,0,0,1,0,0|1,0,1]=3 40 B13R2.10 BrC1=NC(=NN1)N2CCOCC2 MCULE-3725327957 [0,0,0,1,0,0|1,0,1]=3 41 B13R2.10 BrC1=NN=C(S1)C2CCOCC2 MCULE-6163179216 [0,0,0,1,0,0|3,0,0]=4 42 B13R2.10 BrC1=NN=C(S1)N2CCCCC2 MCULE-6334984013 [0,0,0,1,0,0|3,0,0]=4 43 B13R2.10 BrC1=NN=C(S1)N2CCNCC2 MCULE-1615005777 [0,0,0,1,0,0|3,0,0]=4 44 B13R2.10 BrC1=NN=C(S1)N2CCOCC2 MCULE-4737430191 [0,0,0,1,0,0|2,0,0]=3 45 B13R2.10 BrC1=NNC(=N1)N2CCOCC2 MCULE-5816406749 [0,0,0,1,0,0|1,0,2]=4 46 B13R2.10 CC1=CN=C(S1)N2CCOCC2 MCULE-4182329052 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.10 CC1=NN=C(O1)N2CCNCC2 MCULE-3445902136 [0,0,0,1,0,0|3,0,0]=4 48 B13R2.10 CC1=NN=C(O1)N2CCNCC2 MCULE-8013870042 [0,0,0,1,0,0|3,0,0]=4 49 B13R2.10 CC1=NN=C(S1)N2CCNCC2 MCULE-3085232197 [0,0,0,1,0,0|3,0,0]=4 50 B13R2.10 CC1=NN=C(S1)N2CCNCC2 MCULE-3291451456 [0,0,0,1,0,0|3,0,0]=4 51 B13R2.10 CC1=NN=C(S1)N2CCNCC2 MCULE-6241627294 [0,0,0,1,0,0|3,0,0]=4 52 B13R2.10 CC1=NSC(=N1)N2CCOCC2 MCULE-7030344188 [0,0,0,1,0,0|2,0,1]=4 53 B13R2.10 ClC1=NC(=NS1)N2CCOCC2 MCULE-5613335518 [0,0,0,1,0,0|2,0,1]=4 54 B13R2.10 ClC1=NN=C(S1)C2CCOCC2 MCULE-7564844182 [0,0,0,1,0,0|3,0,0]=4 55 B13R2.10 N=C1C=N(=NO1)N2CCOCC2 MCULE-2261312173 [0,0,0,1,0,0|3,0,0]=4 56 B13R2.10 N=C1C=N(=NO1)N2CCOCC2 MCULE-5501607884 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.10 NC1=CC(=NN1)C2CCOCC2 MCULE-4368921811 [0,0,0,1,0,0|2,0,1]=4 58 B13R2.10 NC1=CC(=NN1)N2CCOCC2 MCULE-2577377276 [0,0,0,1,0,0|1,0,1]=3 59 B13R2.10 NC1=CC(=NO1)C2CCOCC2 MCULE-2206527257 [0,0,0,1,0,0|3,0,0]=4 60 B13R2.10 NC1=CSC(=N1)N2CCOCC2 MCULE-2169632939 [0,0,0,1,0,0|2,0,1]=4 61 B13R2.10 NC1=CSC(=N1)N2CCOCC2 MCULE-4433820654 [0,0,0,1,0,0|2,0,1]=4 62 B13R2.10 NC1=C[N+](=NO1)N2CCOCC2 MCULE-5496330318 [0,0,0,1,0,0|3,0,0]=4 63 B13R2.10 NC1=C[N+](=NO1)N2CCOCC2 MCULE-6977722665 [0,0,0,1,0,0|3,0,0]=4 64 B13R2.10 NC1=NC(=NN1)N2CCCCC2 MCULE-2724664967 [0,0,0,1,0,0|1,0,2]=4 65 B13R2.10 NC1=NC(=NN1)N2CCNCC2 MCULE-6117505902 [0,0,0,1,0,0|1,0,2]=4 66 B13R2.10 NC1=NC(=NO1)C2CCOCC2 MCULE-6541125493 [0,0,0,1,0,0|2,0,1]=4 67 B13R2.10 NC1=NC(=NS1)C2CCOCC2 MCULE-4830655105 [0,0,0,1,0,0|2,0,1]=4 68 B13R2.10 NC1=NC(=NS1)N2CCOCC2 MCULE-8493524366 [0,0,0,1,0,0|1,0,1]=3 69 B13R2.10 NC1=NC=C(S1)C2CCOCC2 MCULE-6341708209 [0,0,0,1,0,0|3,0,0]=4 70 B13R2.10 NC1=NN=C(N1)C2CCNCC2 MCULE-6689167605 [0,0,0,1,0,0|2,0,0]=3 71 B13R2.10 NC1=NN=C(N1)N2CCOCC2 MCULE-4825217579 [0,0,0,1,0,0|0,0,0]=1 72 B13R2.10 NC1=NN=C(O1)C2CCCCC2 MCULE-6889319845 [0,0,0,1,0,0|3,0,0]=4 73 B13R2.10 NC1=NN=C(O1)C2CCNCC2 MCULE-2851097002 [0,0,0,1,0,0|3,0,0]=4 74 B13R2.10 NC1=NN=C(O1)C2CCNCC2 MCULE-3793409093 [0,0,0,1,0,0|3,0,0]=4 75 B13R2.10 NC1=NN=C(O1)C2CCOCC2 MCULE-5889857661 [0,0,0,1,0,0|2,0,0]=3 76 B13R2.10 NC1=NN=C(O1)N2CCOCC2 MCULE-1262344243 [0,0,0,1,0,0|1,0,0]=2 77 B13R2.10 NC1=NN=C(S1)C2CCCCC2 MCULE-2763861841 [0,0,0,1,0,0|3,0,0]=4 78 B13R2.10 NC1=NN=C(S1)C2CCNCC2 MCULE-7400772113 [0,0,0,1,0,0|3,0,0]=4 79 B13R2.10 NC1=NN=C(S1)C2CCOCC2 MCULE-2309388447 [0,0,0,1,0,0|2,0,0]=3 80 B13R2.10 NC1=NN=C(S1)N2CCCCC2 MCULE-8606505416 [0,0,0,1,0,0|2,0,0]=3 81 B13R2.10 NC1=NN=C(S1)N2CCOCC2 MCULE-8687078433 [0,0,0,1,0,0|1,0,0]=2 82 B13R2.10 NC1=NNC(=C1)C2CCOCC2 MCULE-8609823906 [0,0,0,1,0,0|2,0,1]=4 83 B13R2.10 NC1=NNC(=C1)N2CCOCC2 MCULE-6631324738 [0,0,0,1,0,0|1,0,1]=3 84 B13R2.10 NC1=NOC(=C1)C2CCOCC2 MCULE-8724585025 [0,0,0,1,0,0|3,0,0]=4 85 B13R2.10 NC1=NSC(=N1)N2CCCCC2 MCULE-7588814883 [0,0,0,1,0,0|2,0,1]=4 86 B13R2.10 O=C1NN=C(N1)N2CCSCC2 MCULE-2096683823 [0,0,0,1,0,0|1,1,0]=3 87 B13R2.10 S=C1NN=C(N1)C2CCCCC2 MCULE-8626249353 [0,0,0,1,0,0|3,0,0]=4 88 B13R2.10 SC1=NN=C(S1)N2CCCCC2 MCULE-4628313546 [0,0,0,1,0,0|3,0,0]=4 89 B13R2.10 SC1=NN=C(S1)N2CCOCC2 MCULE-3865500450 [0,0,0,1,0,0|2,0,0]=3 90 B13R2.4014 NC1=NC2(CCNCC2)C(=O)N1 MCULE-3762436844 [0,0,0,1,0,0|3,0,0]=4 91 B13R2.4014 NC1=NC2(CCNCC2)C(=O)N1 MCULE-5810097784 [0,0,0,1,0,0|3,0,0]=4 92 B13R2.4014 O=C1NC(=O)C2(N1)CCOCC2 MCULE-8706177567 [0,0,0,1,0,0|3,0,0]=4 93 B11R1.36 C=C(C)C(=O)N1CCOCC1 MCULE-2767714173 [0,0,0,0,1,0|3,0,0]=4 94 B11R1.36 CC(N)C(=O)N1CCOCC1 MCULE-3563895785 [0,0,0,0,1,0|2,0,1]=4 95 B11R1.36 CC(N)C(=O)N1CCOCC1 MCULE-6379955919 [0,0,0,0,1,0|2,0,1]=4 96 B11R1.36 NC(=O)C(=O)N1CCNCC1 MCULE-1055237795 [0,0,0,0,1,0|3,0,0]=4 97 B11R1.36 NC(=O)C(=O)N1CCNCC1 MCULE-5082185505 [0,0,0,0,1,0|3,0,0]=4 98 B11R1.36 NC(=O)C(=S)N1CCOCC1 MCULE-6428608308 [0,0,0,0,1,0|2,0,0]=3 99 B11R1.36 NC(=S)C(=S)N1CCOCC1 MCULE-5302434675 [0,0,0,0,1,0|2,0,0]=3 100 B11R1.36 O=C(O)C(=O)N1CCOCC1 MCULE-7008630181 [0,0,0,0,1,0|3,0,0]=4 101 B11R1.77 N=C(N)NC(=N)N1CCCC1 MCULE-8283164167 [0,0,0,0,1,0|0,0,0]=1 102 B13R1.45 CC(=O)NCC(=O)N1CCOCC1 MCULE-6165282341 [0,0,0,0,0,1|3,0,0]=4 103 B13R1.45 NC(=S)NNC(=S)N1CCOCC1 MCULE-1330568517 [0,0,0,0,0,1|2,0,0]=3 104 B13R1.45 O=C(NC=C(Cl)Cl)N1CCOCC1 MCULE-3459669652 [0,0,0,0,0,1|3,0,0]=4 105 B13R1.348 N=C(N)NC(=N)NC1CCCCC1 MCULE-1616407423 [0,0,0,0,0,1|2,0,0]=3 106 B13R1.348 N=C(N)NC(=N)NC1CCCCC1 MCULE-5511954869 [0,0,0,0,0,1|2,0,0]=3 107 B13R1.348 NC(=O)NC(=O)CN1CCNCC1 MCULE-4942269268 [0,0,0,0,0,1|3,0,0]=4 108 B13R1.348 NC(=O)NC(=O)CN1CCNCC1 MCULE-9074588746 [0,0,0,0,0,1|3,0,0]=4 109 B13R1.7456 N=C(N)NC(=N)N1CCCCCC1 MCULE-4407350195 [0,0,0,0,0,1|1,0,0]=2 110 B10R0.6 CCCCNC(=N)NC(=N)N MCULE-5413481004 [1,0,1,0,0,0|0,0,0]=2 111 B10R0.6 CCCCNC(=N)NC(=N)N MCULE-8572445680 [1,0,1,0,0,0|0,0,0]=2 112 B10R1.15 C=CC(=O)N1CCOCC1 MCULE-4008562517 [2,0,0,0,0,0|2,0,0]=4 113 B10R1.15 CNC(=S)N1CCOCC1 MCULE-2362310235 [2,0,0,0,0,0|1,0,1]=4 114 B10R1.15 N=C(NN)N1CCOCC1 MCULE-4516496826 [2,0,0,0,0,0|0,0,0]=2 115 B10R1.15 N=C(NN)N1CCOCC1 MCULE-6627997184 [2,0,0,0,0,0|0,0,0]=2 116 B10R1.15 N=C(NO)N1CCCCC1 MCULE-3117627837 [2,0,0,0,0,0|2,0,0]=4 117 B10R1.15 NCC(=O)N1CCOCC1 MCULE-2396324209 [2,0,0,0,0,0|1,0,1]=4 118 B10R1.15 NCC(=O)N1CCOCC1 MCULE-2661710352 [2,0,0,0,0,0|1,0,1]=4 119 B10R1.15 NNC(=O)C1CCOCC1 MCULE-9421182063 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.15 NNC(=O)N1CCOCC1 MCULE-2903149360 [2,0,0,0,0,0|1,0,0]=3 121 B10R1.15 NNC(=S)N1CCCCC1 MCULE-1694547046 [2,0,0,0,0,0|2,0,0]=4 122 B10R1.15 NNC(=S)N1CCOCC1 MCULE-6756554392 [2,0,0,0,0,0|1,0,0]=3 123 B12R0.4 CCCCCCNC(=N)NC(=N)N MCULE-5687612270 [0,1,1,0,0,0|1,0,0]=3 124 B12R0.4 CCCCCCNC(=N)NC(=N)N MCULE-7773324035 [0,1,1,0,0,0|1,0,0]=3 125 B12R1.30 C=CCNC(=O)N1CCOCC1 MCULE-5200934939 [1,1,0,0,0,0|2,0,0]=4 126 B12R1.30 C=CCNC(=S)N1CCOCC1 MCULE-7677334340 [1,1,0,0,0,0|2,0,0]=4 127 B12R1.30 NCCNC(=O)N1CCOCC1 MCULE-4808331494 [1,1,0,0,0,0|1,0,1]=4 128 B12R1.30 NCCNC(=O)N1CCOCC1 MCULE-5818343112 [1,1,0,0,0,0|1,0,1]=4 129 B12R1.30 NCCNC(=O)N1CCOCC1 MCULE-8864836268 [1,1,0,0,0,0|1,0,1]=4 130 B12R1.27 N/C(=N\O)/CCN1CCOCC1 MCULE-7385493844 [1,1,0,0,0,0|1,0,1]=4 131 B12R1.43 CN(CC1CCOCC1)C(=N)N MCULE-6432549408 [1,1,0,0,0,0|1,0,1]=4 132 B12R1.43 CN(CC1CCOCC1)C(=N)N MCULE-7699862104 [1,1,0,0,0,0|1,0,1]=4 133 B12R1.478 NC(=O)C(=NO)N1CCOCC1 MCULE-1835742637 [0,1,0,0,1,0|1,0,0]=3 134 B12R1.15 N/C(=N\O)/CC(=O)N1CCCC1 MCULE-4382602279 [0,1,0,0,1,0|2,0,0]=4 135 B14R1.163 CNC(=O)NCC(=O)N1CCOCC1 MCULE-2292286484 [0,1,0,0,0,1|2,0,0]=4 136 B14R1.2 CCN1CCN(CC1)C(=N)NC(=N)N MCULE-7242170585 [0,2,0,0,0,0|1,0,0]=3 137 B12R1.260 N=C(N)NC(=N)NC1CCCC1 MCULE-4206753658 [0,0,1,1,0,0|1,0,0]=3 138 B12R1.260 N=C(N)NC(=N)NC1CCCC1 MCULE-7489274701 [0,0,1,1,0,0|1,0,0]=3 139 B12R2.2 C1=CC(=NN1)C2CCOCC2 MCULE-5709506720 [1,0,0,1,0,0|2,0,0]=4 140 B12R2.2 C1=CC(=NN1)N2CCOCC2 MCULE-2023114450 [1,0,0,1,0,0|1,0,0]=3 141 B12R2.2 C1=CNC(=N1)C2CCOCC2 MCULE-2944978079 [1,0,0,1,0,0|2,0,0]=4 142 B12R2.2 C1=CNC(=N1)N2CCNCC2 MCULE-2575084044 [1,0,0,1,0,0|2,0,0]=4 143 B12R2.2 C1=CNC(=N1)N2CCNCC2 MCULE-3670637271 [1,0,0,1,0,0|2,0,0]=4 144 B12R2.2 C1=CNC(=N1)N2CCNCC2 MCULE-3764762323 [1,0,0,1,0,0|2,0,0]=4 145 B12R2.2 C1=CSC(=N1)N2CCOCC2 MCULE-7808485652 [1,0,0,1,0,0|2,0,0]=4 146 B12R2.2 C1=NN=C(N1)C2CCNCC2 MCULE-6875941129 [1,0,0,1,0,0|2,0,0]=4 147 B12R2.2 C1=NN=C(N1)C2CCNCC2 MCULE-8110104409 [1,0,0,1,0,0|2,0,0]=4 148 B12R2.2 C1=NN=C(N1)C2CCNCC2 MCULE-9902990116 [1,0,0,1,0,0|2,0,0]=4 149 B12R2.2 C1=NN=C(N1)N2CCNCC2 MCULE-9237622041 [1,0,0,1,0,0|1,0,0]=3 150 B12R2.2 C1=NN=C(N1)N2CCNCC2 MCULE-9876914761 [1,0,0,1,0,0|1,0,0]=3 151 B12R2.2 C1=NN=C(O1)C2CCOCC2 MCULE-6103194954 [1,0,0,1,0,0|2,0,0]=4 152 B12R2.2 C1CC(CCO1)C2=NN=NN2 MCULE-4233217163 [1,0,0,1,0,0|2,0,0]=4 153 B12R2.2 C1CCN(CC1)C2=NN=NN2 MCULE-2973452442 [1,0,0,1,0,0|2,0,0]=4 154 B12R2.2 C1CN(CCO1)C2=NN=NN2 MCULE-8735759149 [1,0,0,1,0,0|1,0,0]=3 155 B12R2.2 C1CNC(=N1)N2CCOCC2 MCULE-6443944441 [1,0,0,1,0,0|1,0,1]=4 156 B12R2.6 BrC1=NC(=NN1)N2CCCC2 MCULE-4065350150 [0,0,0,1,1,0|1,0,1]=4 157 B12R2.6 BrC1=NC(=NN1)N2CCCC2 MCULE-4320320748 [0,0,0,1,1,0|1,0,1]=4 158 B12R2.6 BrC1=NN=C(S1)N2CCCC2 MCULE-6245177340 [0,0,0,1,1,0|2,0,0]=4 159 B12R2.6 NC1=NC(=NN1)N2CCCC2 MCULE-3111506557 [0,0,0,1,1,0|0,0,2]=4 160 B12R2.6 NC1=NN=C(O1)C2CCCC2 MCULE-6289201694 [0,0,0,1,1,0|2,0,0]=4 161 B12R2.6 NC1=NN=C(S1)C2CCCC2 MCULE-4603731575 [0,0,0,1,1,0|2,0,0]=4 162 B12R2.6 NC1=NN=C(S1)C2CCOC2 MCULE-7241801508 [0,0,0,1,1,0|2,0,0]=4 163 B12R2.6 NC1=NN=C(S1)N2CCCC2 MCULE-9379501745 [0,0,0,1,1,0|1,0,0]=3 164 B12R2.6 NC1=NNC(=C1)N2CCCC2 MCULE-5851416706 [0,0,0,1,1,0|1,0,1]=4 165 B12R2.6 NC1=NSC(=N1)N2CCCC2 MCULE-5175491428 [0,0,0,1,1,0|1,0,1]=4 166 B12R2.6 SC1=NN=C(S1)N2CCCC2 MCULE-1479990306 [0,0,0,1,1,0|2,0,0]=4 167 B14R2.68 BrC1=NN=C(C=C1)N2CCOCC2 MCULE-2104090208 [0,0,0,1,0,1|2,0,0]=4 168 B14R2.68 CC1=NN=C(C=C1)N2CCOCC2 MCULE-7548324579 [0,0,0,1,0,1|2,0,0]=4 169 B14R2.68 ClC1=CC=C(N=N1)N2CCOCC2 MCULE-9909649459 [0,0,0,1,0,1|2,0,0]=4 170 B14R2.68 NC1=CC=C(N=N1)N2CCOCC2 MCULE-8765608238 [0,0,0,1,0,1|1,0,0]=3 171 B14R2.68 NC1=CN=C(C=C1)N2CCOCC2 MCULE-3249626734 [0,0,0,1,0,1|2,0,0]=4 172 B14R2.68 NC1=CN=C(C=C1)N2CCOCC2 MCULE-5100171092 [0,0,0,1,0,1|2,0,0]=4 173 B14R2.68 NC1=CN=C(N=C1)N2CCOCC2 MCULE-3509027468 [0,0,0,1,0,1|1,0,1]=4 174 B14R2.68 NC1=NC=C(C=C1)N2CCOCC2 MCULE-3861933563 [0,0,0,1,0,1|2,0,0]=4 175 B14R2.68 NC1=NC=C(C=C1)N2CCOCC2 MCULE-5934769953 [0,0,0,1,0,1|2,0,0]=4 176 B14R2.68 NC1=NN=C(C=C1)C2CCOCC2 MCULE-8765296512 [0,0,0,1,0,1|2,0,0]=4 177 B14R2.68 O=C1CSC(=NN1)N2CCOCC2 MCULE-9863678951 [0,0,0,1,0,1|2,0,0]=4 178 B14R2.68 OC1=NN=C(C=C1)N2CCOCC2 MCULE-8760863093 [0,0,0,1,0,1|2,0,0]=4 179 B14R2.68 S=C1C=CC(=NN1)N2CCOCC2 MCULE-7942300704 [0,0,0,1,0,1|2,0,0]=4 180 B14R2.19 CC1=NN=C(O1)CN2CCOCC2 MCULE-7209276566 [0,0,0,1,0,1|2,0,0]=4 181 B14R2.19 NC1=NC=C(S1)CN2CCOCC2 MCULE-1684934407 [0,0,0,1,0,1|2,0,0]=4 182 B14R2.19 NC1=NC=C(S1)CN2CCOCC2 MCULE-8168319756 [0,0,0,1,0,1|2,0,0]=4 183 B14R2.19 NC1=NN=C(N1)CN2CCNCC2 MCULE-6814916275 [0,0,0,1,0,1|1,0,0]=3 184 B14R2.19 NC1=NN=C(N1)CN2CCNCC2 MCULE-8792553109 [0,0,0,1,0,1|1,0,0]=3 185 B14R2.19 NC1=NN=C(S1)CN2CCCCC2 MCULE-7460742103 [0,0,0,1,0,1|2,0,0]=4 186 B14R2.19 S=C1NN=C(S1)CN2CCOCC2 MCULE-5334667822 [0,0,0,1,0,1|2,0,0]=4 187 B14R2.4359 NC1=NN=C(S1)N2CCCCCC2 MCULE-4057759711 [0,0,0,1,0,1|2,0,0]=4 188 B14R2.8 NCC1=CN=C(S1)N2CCOCC2 MCULE-4180976313 [0,1,0,1,0,0|2,0,0]=4 189 B14R2.8 NCC1=CN=C(S1)N2CCOCC2 MCULE-9700849086 [0,1,0,1,0,0|2,0,0]=4 190 B14R2.8 NCC1=NN=C(N1)C2CCOCC2 MCULE-1596663645 [0,1,0,1,0,0|1,0,0]=3 191 B14R2.8 NCC1=NN=C(N1)C2CCOCC2 MCULE-4555097015 [0,1,0,1,0,0|1,0,0]=3 192 B14R2.8 NCC1=NN=C(O1)N2CCOCC2 MCULE-2165609437 [0,1,0,1,0,0|1,0,0]=3 193 B14R2.21 BrC1=NN=CC(=C1)N2CCOCC2 MCULE-7986302732 [0,1,0,1,0,0|2,0,0]=4 194 B14R2.21 CC1=CC(=NC=N1)N2CCOCC2 MCULE-6121587695 [0,1,0,1,0,0|2,0,0]=4 195 B14R2.21 CC1=CC(=NC=N1)N2CCOCC2 MCULE-8132312719 [0,1,0,1,0,0|2,0,0]=4 196 B14R2.21 CC1=NC=NC(=N1)N2CCOCC2 MCULE-5337619223 [0,1,0,1,0,0|1,0,1]=4 197 B14R2.21 ClC1=CC(=CN=N1)N2CCOCC2 MCULE-8980966272 [0,1,0,1,0,0|2,0,0]=4 198 B14R2.21 ClC1=NC=NC(=C1)N2CCOCC2 MCULE-8230915460 [0,1,0,1,0,0|2,0,0]=4 199 B14R2.21 IC1=CC(=NC=N1)N2CCOCC2 MCULE-3241098844 [0,1,0,1,0,0|2,0,0]=4 200 B14R2.21 NC1=CC(=NC=N1)N2CCNCC2 MCULE-4853723991 [0,1,0,1,0,0|2,0,0]=4 201 B14R2.21 NC1=CC=NC(=C1)N2CCOCC2 MCULE-9718574696 [0,1,0,1,0,0|2,0,0]=4 202 B14R2.21 NC1=CC=NC(=N1)N2CCOCC2 MCULE-2639108786 [0,1,0,1,0,0|1,0,1]=4 203 B14R2.21 NC1=CN=CC(=C1)N2CCOCC2 MCULE-8344923039 [0,1,0,1,0,0|2,0,0]=4 204 B14R2.21 NC1=CN=CC(=C1)N2CCOCC2 MCULE-8435315625 [0,1,0,1,0,0|2,0,0]=4 205 B14R2.21 NC1=NC(=CN=C1)N2CCOCC2 MCULE-1766842232 [0,1,0,1,0,0|1,0,1]=4 206 B14R2.21 NC1=NC=CC(=C1)N2CCOCC2 MCULE-2461650319 [0,1,0,1,0,0|2,0,0]=4 207 B14R2.21 NC1=NC=CC(=N1)N2CCOCC2 MCULE-1591193588 [0,1,0,1,0,0|1,0,1]=4 208 B14R2.21 NC1=NC=NC(=C1)N2CCCCC2 MCULE-9699721401 [0,1,0,1,0,0|2,0,0]=4 209 B14R2.21 NC1=NC=NC(=C1)N2CCNCC2 MCULE-7892789936 [0,1,0,1,0,0|2,0,0]=4 210 B14R2.21 NC1=NC=NC(=C1)N2CCOCC2 MCULE-5225732357 [0,1,0,1,0,0|1,0,0]=3 211 B14R2.21 NC1=NC=NC(=N1)N2CCCCC2 MCULE-7254770972 [0,1,0,1,0,0|1,0,1]=4 212 B14R2.21 NC1=NC=NC(=N1)N2CCOCC2 MCULE-7581590116 [0,1,0,1,0,0|0,0,1]=3 213 B14R2.21 O=C1C=C(C=NN1)N2CCOCC2 MCULE-3653213413 [0,1,0,1,0,0|2,0,0]=4 214 B14R2.21 O=C1C=NN=C(N1)N2CCOCC2 MCULE-4364841028 [0,1,0,1,0,0|1,0,0]=3 215 B14R2.21 O=C1N=C(C=NN1)N2CCOCC2 MCULE-8895880585 [0,1,0,1,0,0|1,0,1]=4 216 B14R2.21 O=C1N=CN=C(N1)N2CCOCC2 MCULE-8710924516 [0,1,0,1,0,0|1,0,0]=3 217 B14R2.20 CC1CCN(CC1)C2=NN=C(S2)N MCULE-5050228130 [0,1,0,1,0,0|2,0,0]=4 218 B14R2.20 CN1CCN(CC1)C2=NN=C(S2)N MCULE-2120930452 [0,1,0,1,0,0|2,0,0]=4 219 B14R2.20 CN1CCN(CC1)C2=NN=C(S2)N MCULE-5116632685 [0,1,0,1,0,0|2,0,0]=4 220 B14R2.22 CC1CCCN(C1)C2=NN=C(S2)N MCULE-4754957347 [0,1,0,1,0,0|2,0,0]=4 221 B14R2.4514 CC1=NN=C(N1C)N2CCNCC2 MCULE-1303426845 [0,1,0,1,0,0|2,0,0]=4 222 B14R2.4514 CC1=NN=C(N1C)N2CCNCC2 MCULE-3041653441 [0,1,0,1,0,0|2,0,0]=4 223 B14R2.4514 CN1C(=NN=C1N2CCOCC2)S MCULE-9000727896 [0,1,0,1,0,0|1,0,0]=3 224 B14R2.4514 CN1C(=O)NN=C1C2CCOCC2 MCULE-5873830012 [0,1,0,1,0,0|2,0,0]=4 225 B14R2.4514 NN1C(=S)NN=C1C2CCOCC2 MCULE-3118434996 [0,1,0,1,0,0|2,0,0]=4 226 B14R2.256 CC1CCCCN1C2=NN=C(S2)N MCULE-7950097244 [0,1,0,1,0,0|2,0,0]=4 227 B10R1.18 N=C(N)CN1CCOCC1 MCULE-2793241641 [1,0,0,0,1,0|0,0,1]=3 228 B10R1.18 N=C(N)CN1CCOCC1 MCULE-4715070332 [1,0,0,0,1,0|0,0,1]=3 229 B10R1.18 N=C(N)NC1CCCCC1 MCULE-8462693519 [1,0,0,0,1,0|2,0,0]=4 230 B10R1.18 NC(=O)CN1CCOCC1 MCULE-3991718253 [1,0,0,0,1,0|1,0,1]=4 231 B10R1.18 NC(=O)NC1CCOCC1 MCULE-4139742761 [1,0,0,0,1,0|2,0,0]=4 232 B10R1.18 NC(=S)CN1CCOCC1 MCULE-6537578900 [1,0,0,0,1,0|1,0,1]=4 233 B10R1.18 NC(=S)NC1CCOCC1 MCULE-2166021989 [1,0,0,0,1,0|2,0,0]=4 234 B10R1.66 N=C(N)CCN1CCCC1 MCULE-1786886794 [1,0,0,0,1,0|1,0,1]=4 235 B10R1.66 N=C(N)CCN1CCCC1 MCULE-9755724579 [1,0,0,0,1,0|1,0,1]=4 236 B12R1.252 N=C(N)NCCN1CCOCC1 MCULE-7857360570 [1,0,0,0,0,1|0,0,1]=3 237 B12R1.252 NC(=O)NCCN1CCOCC1 MCULE-1294834192 [1,0,0,0,0,1|1,0,1]=4 238 B12R1.252 NC(=O)NCCN1CCOCC1 MCULE-9846689144 [1,0,0,0,0,1|1,0,1]=4 239 B12R1.252 NC(=S)NCCN1CCOCC1 MCULE-3254127479 [1,0,0,0,0,1|1,0,1]=4 240 B14R1.423 NC(=S)NNC(=O)CN1CCOCC1 MCULE-6245890978 [0,0,0,0,0,2|2,0,0]=4