0 B16R2.10928 CCN1C(=O)NC(C1=O)C2=CC=CC=C2 Z53845223 [0,0,0,0,0,0|0,0,0]=0 1 B15R2.321 CN1C(=N)N(CC1=O)C2=CC=CC=C2 Z1198151276 [1,0,0,0,0,0|3,0,0]=4 2 B15R2.321 CN1C(=O)CC(C1=O)C2=CC=CC=C2 Z360145318 [1,0,0,0,0,0|1,0,0]=2 3 B15R2.2248 CCN1C=C(N=C1N)C2=CC=CC=C2 Z2229799869 [1,0,0,0,0,0|1,0,2]=4 4 B15R2.2248 CCN1N=C(CC1=O)C2=CC=CC=C2 Z667950658 [1,0,0,0,0,0|2,0,1]=4 5 B15R2.4808 CCN1N=NN(C1=O)C2=CC=CC=C2 Z118503800 [1,0,0,0,0,0|2,0,1]=4 6 B17R2.13800 CCN1C(=O)NC(C1=O)(C)C2=CC=CC=C2 Z53842734 [0,1,0,0,0,0|0,0,0]=1 7 B15R1.646 CCN(CC)C(=O)C(Cl)C1=CC=CC=C1 Z57069260 [0,0,1,0,0,0|2,0,1]=4 8 B15R1.646 CCN(CC)C(=O)C(N)C1=CC=CC=C1 Z600428476 [0,0,1,0,0,0|1,0,1]=3 9 B15R1.1257 CCOC(=O)NC(CN)C1=CC=CC=C1 Z285926096 [0,0,1,0,0,0|2,0,1]=4 10 B17R2.17818 CCN1C(=O)/C(=C/C2=CC=CC=C2)/SC1=S Z44297108 [0,0,0,0,0,1|1,1,1]=4 11 B17R2.17818 CCN1C(=O)CC(C1=O)NC2=CC=CC=C2 Z219230330 [0,0,0,0,0,1|1,0,0]=2 12 B17R2.17818 CCN1C(=O)NC(C1=O)CC2=CC=CC=C2 Z53847702 [0,0,0,0,0,1|0,0,0]=1 13 B17R2.17818 CCN1C(=O)SC(C1=O)NC2=CC=CC=C2 Z221604512 [0,0,0,0,0,1|1,0,0]=2 14 B14R1.756 CCC(Cl)C(=O)NCC1=CC=CC=C1 Z169917708 [1,0,1,0,0,0|2,0,0]=4 15 B14R1.29 CCCC(=O)NC(C)C1=CC=CC=C1 Z31450109 [1,0,1,0,0,0|1,0,1]=4 16 B14R2.598 O=C1CC(=O)N(N1)C2=CC=CC=C2 Z57475324 [2,0,0,0,0,0|2,0,0]=4 17 B14R2.598 O=C1CC(C(=O)N1)C2=CC=CC=C2 Z104341276 [2,0,0,0,0,0|1,0,0]=3 18 B14R2.598 O=C1CC(C(=O)O1)C2=CC=CC=C2 Z99601248 [2,0,0,0,0,0|2,0,0]=4 19 B14R2.598 O=C1CN(C(=O)N1)C2=CC=CC=C2 Z57138521 [2,0,0,0,0,0|2,0,0]=4 20 B14R2.598 O=C1NC(=O)C(N1)C2=CC=CC=C2 Z57474290 [2,0,0,0,0,0|0,0,0]=2 21 B14R2.598 O=C1NC(=O)C(O1)C2=CC=CC=C2 Z1198149953 [2,0,0,0,0,0|1,0,0]=3 22 B14R2.598 O=C1NC(=O)N(N1)C2=CC=CC=C2 Z55928831 [2,0,0,0,0,0|1,0,0]=3 23 B16R1.15559 CCNC(=O)NC(C)(CC)C1=CC=CC=C1 Z1153386359 [0,1,1,0,0,0|1,0,1]=4 24 B16R1.15562 CCCC(=O)NC(C(=O)N)C1=CC=CC=C1 Z225692732 [0,1,1,0,0,0|1,0,0]=3 25 B16R2.11796 CC1(NC(=O)N(C1=O)N)C2=CC=CC=C2 Z56928545 [1,1,0,0,0,0|1,0,0]=3 26 B16R2.11796 CN1C(=O)CC(C1=O)(C)C2=CC=CC=C2 Z649373426 [1,1,0,0,0,0|1,0,0]=3 27 B18R2.66729 CC(C)C1NC(=O)[C@@H](NC1=O)C2=CC=CC=C2 Z3210486434 [0,1,0,0,0,1|1,0,0]=3 28 B18R2.42448 CCCN1C(=O)NC(C1=O)CC2=CC=CC=C2 Z53847704 [0,1,0,0,0,1|0,0,0]=2 29 B18R2.42448 NCCN1C(=O)S/C(=C/C2=CC=CC=C2)/C1=O Z56799646 [0,1,0,0,0,1|1,0,1]=4 30 B18R2.250479 CCN1C(=O)CC(C1=O)NC2=CC=C(C=C2)C Z57835119 [0,1,0,0,0,1|1,0,0]=3 31 B18R2.250479 CCN1C(=O)SC(C1=O)NC2=CC=C(C=C2)C Z221604504 [0,1,0,0,0,1|1,0,0]=3 32 B18R2.250483 CCN1C(=O)CC(C1=O)NC2=CC(=CC=C2)C Z219230422 [0,1,0,0,0,1|1,0,0]=3 33 B18R2.250483 CCN1C(=O)SC(C1=O)NC2=CC(=CC=C2)C Z221604480 [0,1,0,0,0,1|1,0,0]=3 34 B18R2.21367 CCN1C(=O)NC(C1=O)(CC)C2=CC=CC=C2 Z53843611 [0,2,0,0,0,0|0,0,0]=2 35 B18R2.50191 CC1(NC(=O)N(C1=O)CC#N)C2=CC=CC=C2 Z14052067 [0,2,0,0,0,0|0,0,1]=3 36 B18R2.50191 CCCN1C(=O)NC(C1=O)(C)C2=CC=CC=C2 Z53842736 [0,2,0,0,0,0|0,0,0]=2 37 B18R2.200566 CCN1C(=O)NC(C1=O)(C)C2=CC=C(C=C2)F Z154291798 [0,2,0,0,0,0|0,0,0]=2 38 B18R2.200568 CCN1C(=O)NC(C1=O)(C)C2=C(C=CC=C2)Br Z53843092 [0,2,0,0,0,0|0,0,0]=2 39 B18R2.83131 CCCCN1C(=O)CN(C1=O)C2=CC=CC=C2 Z594217762 [0,2,0,0,0,0|2,0,0]=4 40 B18R2.422552 CCCN1C(=O)NC(C1=O)C2=C(C=CC=C2)Br Z2417927050 [0,2,0,0,0,0|0,0,0]=2 41 B16R2.2238 O=C(NCC1=CC=CC=C1)N2CCCC2 Z123702784 [0,0,1,1,0,0|1,0,1]=4 42 B16R2.6780 NC(C(=O)N1CCCC1)C2=CC=CC=C2 Z594038160 [0,0,1,1,0,0|1,0,1]=4 43 B16R2.2898 CN1C(=O)CC(C1=O)NC2=CC=CC=C2 Z219230328 [1,0,0,0,0,1|1,0,0]=3 44 B16R2.2898 CN1C(=O)NC(C1=O)CC2=CC=CC=C2 Z54849811 [1,0,0,0,0,1|0,0,0]=2 45 B18R2.1634 O=C1N[C@@H](C(=O)N[C@@H]1CO)CC2=CC=CC=C2 Z4635629295 [0,0,0,0,0,2|2,0,0]=4