0 B15R1.959 CN(CCCC(=O)C1=CC=CN=C1)N=O MCULE-1181949302 [0,0,0,0,0,0|0,0,0]=0 1 B15R1.959 CN(CCCC(O)C1=CN=CC=C1)N=O MCULE-6010777294 [0,0,0,0,0,0|0,0,2]=2 2 B14R1.38 CCCCCCC(=O)C1=CC=CN=C1 MCULE-4192911753 [1,0,0,0,0,0|3,0,0]=4 3 B14R1.38 NCCCCCC(=O)C1=CC=CN=C1 MCULE-2914261714 [1,0,0,0,0,0|3,0,0]=4 4 B14R1.38 NCCCCCC(=O)C1=CC=CN=C1 MCULE-4677295737 [1,0,0,0,0,0|3,0,0]=4 5 B14R1.420 CC(=O)CCCC(=O)C1=NC=CC=C1 MCULE-5323019841 [1,0,0,0,0,0|3,0,0]=4 6 B14R1.420 CC(=O)OCCC(=O)C1=CC=CC=C1 MCULE-3789491063 [1,0,0,0,0,0|3,0,0]=4 7 B14R1.420 CC(C)CCCC(=O)C1=CC=CC=C1 MCULE-9879541702 [1,0,0,0,0,0|3,0,0]=4 8 B14R1.420 CC(C)CCNC(=O)C1=CN=CC=C1 MCULE-3432411680 [1,0,0,0,0,0|3,0,0]=4 9 B14R1.420 CN(C)CCCC(=O)C1=CC=CC=C1 MCULE-2578275329 [1,0,0,0,0,0|2,0,0]=3 10 B14R1.420 CN(C)CCCC(=O)C1=CC=CC=C1 MCULE-7718718280 [1,0,0,0,0,0|2,0,0]=3 11 B14R1.420 CN(C)CCCC(=O)C1=CN=CC=C1 MCULE-2211499593 [1,0,0,0,0,0|1,0,0]=2 12 B14R1.420 CN(C)CCNC(=O)C1=CC=CN=C1 MCULE-4154029487 [1,0,0,0,0,0|2,0,0]=3 13 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 MCULE-5915009701 [1,0,0,0,0,0|3,0,0]=4 14 B14R1.420 CN(C)CCOC(=O)C1=CC=CC=C1 MCULE-6744521871 [1,0,0,0,0,0|3,0,0]=4 15 B14R1.420 NC(=O)CCCC(=O)C1=CC=CC=C1 MCULE-9094711769 [1,0,0,0,0,0|3,0,0]=4 16 B14R1.420 O=C(Cl)CCCC(=O)C1=CC=CC=C1 MCULE-9199007250 [1,0,0,0,0,0|3,0,0]=4 17 B14R1.420 O=C(O)CCCC(=O)C1=CC=CC=C1 MCULE-1720844080 [1,0,0,0,0,0|3,0,0]=4 18 B14R1.420 O=C(O)CCCC(=O)C1=CN=CC=C1 MCULE-3407445136 [1,0,0,0,0,0|2,0,0]=3 19 B14R1.420 O=C(O)CCNC(=O)C1=CN=CC=C1 MCULE-2571415591 [1,0,0,0,0,0|3,0,0]=4 20 B14R1.420 O=C([O-])CCNC(=O)C1=CC=CN=C1 MCULE-6210151544 [1,0,0,0,0,0|3,0,0]=4 21 B16R1.555 CCN(CC)CCOC(=O)C1=CC=CN=C1 MCULE-9017150072 [0,1,0,0,0,0|3,0,0]=4 22 B16R1.555 CCN(CC)CCOC(=O)C1=CN=CC=C1 MCULE-4010800250 [0,1,0,0,0,0|3,0,0]=4 23 B16R2.120 CN1CCC(CC1)C(=O)C2=CC=CC=C2 MCULE-1834659092 [0,0,0,1,0,0|3,0,0]=4 24 B16R2.5972 CN1CCC(C1=O)C(=O)C2=CC=CC=C2 MCULE-5753791345 [0,0,0,1,0,0|2,0,0]=3 25 B16R2.5972 CN1CCC(C1=O)C(=O)C2=CC=CN=C2 MCULE-2699864999 [0,0,0,1,0,0|1,0,0]=2 26 B13R1.24 CCCCCC(=O)C1=CC=CC=C1 MCULE-4945537209 [2,0,0,0,0,0|2,0,0]=4 27 B13R1.24 CCCCCC(=O)C1=CC=CN=C1 MCULE-8670423713 [2,0,0,0,0,0|1,0,0]=3 28 B13R1.24 CCCCCC(=O)C1=NC=CN=C1 MCULE-6856167371 [2,0,0,0,0,0|2,0,0]=4 29 B13R1.24 CCCCOC(=O)C1=CC=CN=C1 MCULE-7839997831 [2,0,0,0,0,0|2,0,0]=4 30 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 MCULE-3152987517 [2,0,0,0,0,0|0,0,0]=2 31 B13R1.24 CNCCCC(=O)C1=CC=CN=C1 MCULE-5897945900 [2,0,0,0,0,0|0,0,0]=2 32 B13R1.24 COCCNC(=O)C1=CN=CC=C1 MCULE-8342984606 [2,0,0,0,0,0|2,0,0]=4 33 B13R1.24 NCCCCC(=O)C1=CC=CN=C1 MCULE-4485463785 [2,0,0,0,0,0|1,0,1]=4 34 B13R1.24 NCCCCC(=O)C1=CC=CN=C1 MCULE-5158695343 [2,0,0,0,0,0|1,0,1]=4 35 B15R1.497 CC(=O)NCCNC(=O)C1=CN=CC=C1 MCULE-4821666134 [1,1,0,0,0,0|2,0,0]=4 36 B15R1.882 CC1=CC=C(C=N1)C(=O)NCCN(C)C MCULE-4948134511 [1,1,0,0,0,0|2,0,0]=4 37 B15R1.882 CN(C)CCNC(=O)C1=CN=C(C=C1)Br MCULE-8880143803 [1,1,0,0,0,0|2,0,0]=4 38 B15R1.8019 CN(C)CCNC(=O)C1=C(N=CC=C1)Cl MCULE-6985168207 [1,1,0,0,0,0|2,0,0]=4 39 B17R1.16642 CN(CCNC(=O)C1=CC=CN=C1)S(=O)(=O)C MCULE-1953571555 [0,2,0,0,0,0|2,0,0]=4 40 B15R2.2226 O=C(C1=CN=CC=C1)C2CCNCC2 MCULE-3136983514 [1,0,0,1,0,0|2,0,0]=4 41 B15R2.2226 O=C(C1=CN=CC=C1)C2CCNCC2 MCULE-4973090673 [1,0,0,1,0,0|2,0,0]=4 42 B15R2.2226 O=C(C1=CN=CC=C1)C2CCNCC2 MCULE-9783054965 [1,0,0,1,0,0|2,0,0]=4 43 B17R2.209 CN1CCC(CC1)NC(=O)C2=CC=CN=C2 MCULE-7821704966 [0,0,0,1,0,1|2,0,0]=4 44 B17R2.24146 CN1CCCN(CC1)C(=O)C2=CC=CN=C2 MCULE-9450551586 [0,0,0,1,0,1|2,0,0]=4 45 B17R2.68 O=NN1CCN(CC1)C(=O)C2=CC=CC=C2 MCULE-3609537728 [0,1,0,1,0,0|2,0,0]=4 46 B13R1.45 CC(=O)CCC(=O)C1=CC=CC=C1 MCULE-7185754790 [1,0,0,0,1,0|2,0,0]=4 47 B13R1.45 CC(=O)CCC(=O)C1=CC=CN=C1 MCULE-3509234910 [1,0,0,0,1,0|1,0,0]=3 48 B13R1.45 CN(C)CCC(=O)C1=CC=CC=C1 MCULE-4031792903 [1,0,0,0,1,0|2,0,0]=4 49 B13R1.45 O=C(O)CCC(=O)C1=CN=CC=C1 MCULE-5354097885 [1,0,0,0,1,0|2,0,0]=4 50 B13R1.342 CC(=O)CCCC(=O)C1=NC=CO1 MCULE-5514354480 [1,0,0,0,1,0|2,0,0]=4 51 B15R1.1081 O=C(O)CCCC(=O)NC1=CN=CC=C1 MCULE-3755062775 [1,0,0,0,0,1|2,0,0]=4