0 B17R3.2679 C1=CC2=C(C=C1)C(CCC2)C3=NCCN3 MCULE-1878887684 [0,0,0,0,0,0|0,0,0]=0 1 B17R3.2679 C1=CC2=C(C=C1)C(CCC2)C3=NCCN3 MCULE-6434802156 [0,0,0,0,0,0|0,0,0]=0 2 B17R3.2679 C1=CC2=C(C=C1)C(OCC2)C3=NCCN3 MCULE-3520612936 [0,0,0,0,0,0|1,0,0]=1 3 B17R3.2679 C1=CC2=C(C=C1)C(OCC2)C3=NCCN3 MCULE-6560799375 [0,0,0,0,0,0|1,0,0]=1 4 B17R3.2679 C1=CC2=CC=CC(=C2C=C1)C3=NCCN3 MCULE-9853143567 [0,0,0,0,0,0|0,0,4]=4 5 B17R3.2679 C1=CC=C2C(=C1)CNCC2N3CCCC3 MCULE-4943836949 [0,0,0,0,0,0|4,0,0]=4 6 B18R3.2910 NC1=NC(=NO1)C2CCCC3=C2C=CC=C3 MCULE-4034098017 [0,1,0,0,0,0|1,0,2]=4 7 B18R3.2910 NC1=NN=C(S1)C2CCCC3=C2C=CC=C3 MCULE-1249201975 [0,1,0,0,0,0|2,0,1]=4 8 B18R3.2910 O=C1CSC(=N1)N2CCCC3=CC=CC=C23 MCULE-9050192433 [0,1,0,0,0,0|2,0,1]=4 9 B16R2.2257 C1=CC=C(C=C1)CCCCC2=CN=CN2 MCULE-5144461670 [0,0,1,0,0,0|2,0,1]=4 10 B16R2.2257 C1=CC=C(C=C1)CCCSC2=NCCN2 MCULE-5438283439 [0,0,1,0,0,0|1,0,0]=2 11 B16R2.2257 C1=CC=C(C=C1)CCCSC2=NCCN2 MCULE-7674814528 [0,0,1,0,0,0|1,0,0]=2 12 B16R2.2257 C1=CC=C(C=C1)CCOCC2CCCN2 MCULE-8827991759 [0,0,1,0,0,0|2,0,1]=4 13 B16R2.2257 C1=CC=C(C=C1)OCCSC2=NCCN2 MCULE-1232019022 [0,0,1,0,0,0|2,0,0]=3 14 B16R2.2304 CCOC1=C(C=CC=C1)NC2=NCCS2 MCULE-7535908536 [0,0,1,0,0,0|3,0,0]=4 15 B16R2.50359 NCCCOC1CCCC2=C1C=CC=C2 MCULE-3582633333 [0,0,1,0,0,0|2,0,0]=3 16 B16R2.50359 NCCCOC1CCCC2=C1C=CC=C2 MCULE-4207805730 [0,0,1,0,0,0|2,0,0]=3 17 B16R2.50359 OCCCNC1CCCC2=C1C=CC=C2 MCULE-8652008491 [0,0,1,0,0,0|3,0,0]=4 18 B16R2.160202 CCCC(=O)N1CCCC2=C1C=CC=C2 MCULE-2670478873 [0,0,1,0,0,0|3,0,0]=4 19 B16R2.160202 CCNC(=S)N1CCCC2=C1C=CC=C2 MCULE-6460385028 [0,0,1,0,0,0|2,0,0]=3 20 B16R2.160202 CCOC(=O)C1CCCC2=C1C=CC=C2 MCULE-7976363439 [0,0,1,0,0,0|2,0,0]=3 21 B16R2.160202 CCOC(=O)C1CCCC2=C1N=CC=C2 MCULE-3106040726 [0,0,1,0,0,0|3,0,0]=4 22 B16R2.160202 CCOC(=O)C1CCNC2=C1C=CC=C2 MCULE-7007290484 [0,0,1,0,0,0|3,0,0]=4 23 B16R2.160202 CCOC(=O)C1CNCC2=C1C=CC=C2 MCULE-5735732315 [0,0,1,0,0,0|3,0,0]=4 24 B16R2.160202 CCOC(=O)C1NCCC2=C1C=CC=C2 MCULE-2853678649 [0,0,1,0,0,0|3,0,0]=4 25 B16R2.160202 CCOC(=O)C1NCCC2=C1C=CC=C2 MCULE-9091351270 [0,0,1,0,0,0|3,0,0]=4 26 B16R2.160202 CCOC(=O)C1OCCC2=CC=CC=C12 MCULE-2911269610 [0,0,1,0,0,0|3,0,0]=4 27 B16R2.160202 CCOC(=O)[C@@H]1NCCC2=C1C=CC=C2 MCULE-6923174215 [0,0,1,0,0,0|3,0,0]=4 28 B16R2.160202 CCOC(=O)[C@H]1NCCC2=C1C=CC=C2 MCULE-5311404199 [0,0,1,0,0,0|3,0,0]=4 29 B16R3.1816 C1=CC2=C(C=C1)C(NCC2)C3CCC3 MCULE-1228859723 [0,0,0,0,1,0|2,0,1]=4 30 B18R3.11 C1=CC2=C(C=C1)C(CCC2)CC3CCCN3 MCULE-2268834858 [0,0,0,0,0,1|1,0,1]=3 31 B18R3.11 C1=CC2=C(C=C1)C(CCC2)CC3CCCN3 MCULE-5201511841 [0,0,0,0,0,1|1,0,1]=3 32 B18R3.11 C1=CC2=C(C=C1)N(CCC2)CC3CCCN3 MCULE-4101186451 [0,0,0,0,0,1|2,0,1]=4 33 B18R3.11 C1=CC2=C(C=C1)N(CCC2)CC3CCCN3 MCULE-4917791958 [0,0,0,0,0,1|2,0,1]=4 34 B18R3.2108 C1=CC2=C(C=C1)C(CCC2)N3CCNCC3 MCULE-7378877944 [0,0,0,0,0,1|3,0,0]=4 35 B18R3.2108 C1=CC2=C(C=C1)N(CCC2)C3CCCNC3 MCULE-2092752362 [0,0,0,0,0,1|2,0,1]=4 36 B18R3.2108 C1=CC2=C(C=C1)N(CCC2)C3CCCNC3 MCULE-6565901210 [0,0,0,0,0,1|2,0,1]=4 37 B15R2.131 CCC(C1=CC=CC=C1)C2CCCN2 MCULE-5441835176 [1,0,1,0,0,0|1,0,1]=4 38 B15R2.131 CCC(C1=CC=CC=C1)C2CCCN2 MCULE-9024385147 [1,0,1,0,0,0|1,0,1]=4 39 B15R2.18471 C#CCNC1CCCC2=C1C=CC=C2 MCULE-6293601109 [1,0,1,0,0,0|1,0,1]=4 40 B15R2.18471 C#CCNC1CCCC2=C1C=CC=C2 MCULE-8673631741 [1,0,1,0,0,0|1,0,1]=4 41 B15R2.18471 CCCNC1CCCC2=C1N=CC=C2 MCULE-1426772073 [1,0,1,0,0,0|2,0,0]=4 42 B15R2.18471 CCNCC1OCCC2=C1C=CC=C2 MCULE-1731822583 [1,0,1,0,0,0|1,0,1]=4 43 B15R2.18471 CCNCC1OCCC2=C1C=CC=C2 MCULE-9814800989 [1,0,1,0,0,0|1,0,1]=4 44 B15R2.18471 CONCC1CCCC2=C1C=CC=C2 MCULE-1635005496 [1,0,1,0,0,0|1,0,1]=4 45 B15R2.18471 CONCC1CCCC2=C1C=CC=C2 MCULE-2922236251 [1,0,1,0,0,0|1,0,1]=4 46 B15R2.18471 NCCCN1CCCC2=C1C=CC=C2 MCULE-1551536061 [1,0,1,0,0,0|1,0,1]=4 47 B15R2.18471 OCCNC1CCCC2=C1C=CC=C2 MCULE-2900120569 [1,0,1,0,0,0|1,0,0]=3 48 B15R2.79765 CCC(=O)N1CCCC2=CC=CC=C12 MCULE-9764875064 [1,0,1,0,0,0|2,0,0]=4 49 B15R2.79765 CNC(=O)C1CCCC2=C1N=CC=C2 MCULE-8503160299 [1,0,1,0,0,0|2,0,0]=4 50 B15R2.79765 CNC(=O)C1CCNC2=CC=CC=C12 MCULE-3070538048 [1,0,1,0,0,0|2,0,0]=4 51 B15R2.79765 CNC(=O)C1OCCC2=CC=CC=C12 MCULE-2623284790 [1,0,1,0,0,0|2,0,0]=4 52 B15R2.79765 CNC(=S)N1CCCC2=C1C=CC=C2 MCULE-1151276383 [1,0,1,0,0,0|2,0,0]=4 53 B15R2.79765 COC(=O)C1CCCC2=C1C=CC=C2 MCULE-2982442388 [1,0,1,0,0,0|2,0,0]=4 54 B15R2.79765 NNC(=S)C1CCCC2=C1C=CC=C2 MCULE-5823358503 [1,0,1,0,0,0|2,0,0]=4 55 B15R2.79765 O=C(CBr)C1CCCC2=C1C=CC=C2 MCULE-3140093492 [1,0,1,0,0,0|2,0,0]=4 56 B17R2.346 CC1=CC=C(C=C1)OCCSC2=NCCN2 MCULE-4340464200 [0,1,1,0,0,0|2,0,0]=4 57 B17R2.346 CC1=CC=C(C=C1)OCCSC2=NCCN2 MCULE-6940241746 [0,1,1,0,0,0|2,0,0]=4 58 B17R2.440810 CCCNC(=O)N1CCCC2=C1C=CC=C2 MCULE-9046568479 [0,1,1,0,0,0|2,0,0]=4 59 B17R2.440810 CCCNC(=S)N1CCCC2=C1C=CC=C2 MCULE-5814856969 [0,1,1,0,0,0|2,0,0]=4 60 B17R2.440810 NCCNC(=O)C1CCCC2=C1C=CC=C2 MCULE-4637437431 [0,1,1,0,0,0|0,0,1]=3 61 B17R2.440810 NCCNC(=O)C1CCCC2=C1C=CC=C2 MCULE-6289678460 [0,1,1,0,0,0|0,0,1]=3 62 B17R2.440810 O=C(NCCCl)N1CCCC2=C1C=CC=C2 MCULE-3936359775 [0,1,1,0,0,0|2,0,0]=4 63 B17R2.712041 CC(C)NC(=S)N1CCCC2=C1C=CC=C2 MCULE-2388948318 [0,1,1,0,0,0|2,0,0]=4 64 B19R3.14445 COC1=CC=CC2=C1CCOC2C3=NCCN3 MCULE-1551994740 [0,2,0,0,0,0|1,0,0]=3 65 B19R3.14445 COC1=CC=CC2=C1CCOC2C3=NCCN3 MCULE-5985168657 [0,2,0,0,0,0|1,0,0]=3 66 B19R3.14445 COC1=CC=CC2=C1CCO[C@H]2C3=NCCN3 MCULE-1897932004 [0,2,0,0,0,0|1,0,0]=3 67 B15R1.778 CCNC(=O)CCNCC1=CC=CC=C1 MCULE-7384218816 [0,0,2,0,0,0|2,0,0]=4 68 B17R3.3696 CCCN1C2=NCCN2C3=C1C=CC=C3 MCULE-7438255646 [0,0,1,1,0,0|1,0,0]=3 69 B17R3.3696 CCCN1C2=[NH+]CCN2C3=C1C=CC=C3 MCULE-7560266845 [0,0,1,1,0,0|1,0,1]=4 70 B17R3.3696 ClCCN1C2=CC=CC=C2N3C1=NCC3 MCULE-3038271074 [0,0,1,1,0,0|2,0,0]=4 71 B17R3.3696 ClCCN1C2=CC=CC=C2N3C1=NCC3 MCULE-9688544914 [0,0,1,1,0,0|2,0,0]=4 72 B17R3.3696 OCCN1C2=CC=CC=C2N3C1=NCC3 MCULE-6266264177 [0,0,1,1,0,0|2,0,0]=4 73 B17R3.8710 C1=CC=C(C=C1)C2(CCC2)C3=NN=NN3 MCULE-9748914033 [0,0,1,1,0,0|2,0,0]=4 74 B17R3.1910 C1=CC2=C(CCC2)C(=C1)NC3=NCCN3 MCULE-8958939682 [0,0,1,1,0,0|1,0,0]=3 75 B17R3.3974 NCCC1=CN2CCCC3=CC=CC1=C23 MCULE-2628016393 [0,0,1,1,0,0|2,0,0]=4 76 B15R2.2196 C1=CC=C(C=C1)CCCC2=NN=NN2 MCULE-5509799954 [0,0,1,0,1,0|2,0,0]=4 77 B15R2.2196 C1=CC=C(C=C1)CCCC2CCCN2 MCULE-2252853504 [0,0,1,0,1,0|1,0,1]=4 78 B15R2.2196 C1=CC=C(C=C1)CCSC2=NCCN2 MCULE-4679101232 [0,0,1,0,1,0|1,0,0]=3 79 B15R2.2196 C1=CC=C(C=C1)CCSC2=NCCN2 MCULE-4747107029 [0,0,1,0,1,0|1,0,0]=3 80 B15R2.73 CCNC(=S)N1CCC2=C1C=CC=C2 MCULE-7560103881 [0,0,1,0,1,0|2,0,0]=4 81 B19R3.4444 C1=CC2=C(C=C1)C(=NNC3=NCCN3)CCC2 MCULE-8227896583 [0,0,0,0,0,2|0,0,1]=3