0 B16R2.124 CC1=CC(=CC=C1Br)CC2CCCCC2 MCULE-1727768438 [0,0,0,0,0,0|4,0,0]=4 1 B16R2.124 CC1=CC(=NC=C1Br)NC2CCCCC2 MCULE-7481065723 [0,0,0,0,0,0|4,0,0]=4 2 B16R2.124 CC1=CC(=NC=C1Br)OC2CCCCC2 MCULE-7771940759 [0,0,0,0,0,0|4,0,0]=4 3 B16R2.124 ClC1=CC(=CC=C1Br)CC2CCCCC2 MCULE-4185942247 [0,0,0,0,0,0|4,0,0]=4 4 B16R2.124 ClC1=CC=C(C=C1Br)CC2CCCCC2 MCULE-3078396801 [0,0,0,0,0,0|4,0,0]=4 5 B16R2.124 FC1=CC(=CC=C1Br)CC2CCCCC2 MCULE-2821228019 [0,0,0,0,0,0|4,0,0]=4 6 B15R2.29 BrC1=CC=C(C=C1)CC2CCCCC2 MCULE-8057037511 [1,0,0,0,0,0|3,0,0]=4 7 B15R2.29 BrC1=CN=C(C=C1)CN2CCCCC2 MCULE-7838045372 [1,0,0,0,0,0|3,0,0]=4 8 B15R2.29 BrC1=CN=C(C=C1)NC2CCCCC2 MCULE-2548744175 [1,0,0,0,0,0|3,0,0]=4 9 B15R2.29 BrC1=CN=C(C=C1)OC2CCCCC2 MCULE-4737912533 [1,0,0,0,0,0|3,0,0]=4 10 B15R2.29 BrC1=NC=C(C=C1)CC2CCCCC2 MCULE-5688676061 [1,0,0,0,0,0|2,0,1]=4 11 B15R2.29 CC1=CC=C(N=C1)CC2CCNCC2 MCULE-7831429130 [1,0,0,0,0,0|3,0,0]=4 12 B15R2.29 CC1=CN=C(C=C1)CC2CCCNC2 MCULE-4383928015 [1,0,0,0,0,0|3,0,0]=4 13 B15R2.29 CC1=CN=C(C=C1)CC2CCCNC2 MCULE-4555260055 [1,0,0,0,0,0|3,0,0]=4 14 B15R2.29 CC1=CN=C(C=C1)CC2CCCNC2 MCULE-8136048420 [1,0,0,0,0,0|3,0,0]=4 15 B15R2.29 CC1=CN=C(C=C1)CC2CCNCC2 MCULE-9791903936 [1,0,0,0,0,0|3,0,0]=4 16 B15R2.29 CC1=CN=C(C=C1)NC2CCCCC2 MCULE-8375850055 [1,0,0,0,0,0|3,0,0]=4 17 B15R2.29 CC1=NN=C(C=C1)OC2CCCCC2 MCULE-8204956765 [1,0,0,0,0,0|2,0,1]=4 18 B15R2.29 ClC1=CC=C(N=N1)OC2CCCCC2 MCULE-9861649614 [1,0,0,0,0,0|2,0,1]=4 19 B15R2.29 ClC1=NN=C(C=C1)CC2CCNCC2 MCULE-8384114969 [1,0,0,0,0,0|2,0,1]=4 20 B15R2.29 ClC1=NN=C(C=C1)NC2CCCCC2 MCULE-3401971669 [1,0,0,0,0,0|2,0,1]=4 21 B15R2.29 ClC1=NN=C(C=C1)SC2CCCCC2 MCULE-9209065670 [1,0,0,0,0,0|2,0,1]=4 22 B15R2.29 NC1=CC=C(C=C1)CC2CCCCC2 MCULE-8261770431 [1,0,0,0,0,0|3,0,0]=4 23 B15R2.29 NC1=CN=C(C=C1)OC2CCCCC2 MCULE-4818235409 [1,0,0,0,0,0|3,0,0]=4 24 B15R2.29 O=C1C=CC(=CN1)CC2CCNCC2 MCULE-2552175486 [1,0,0,0,0,0|2,0,0]=3 25 B15R2.29 O=C1C=CC(=CN1)CC2CCNCC2 MCULE-7620793152 [1,0,0,0,0,0|2,0,0]=3 26 B15R2.29 OC1=CC=C(C=C1)CC2CCCCC2 MCULE-1975753245 [1,0,0,0,0,0|2,0,1]=4 27 B15R2.31 BrC1=CC(=CN=C1)CC2CCCCC2 MCULE-8391039049 [1,0,0,0,0,0|2,0,1]=4 28 B15R2.31 BrC1=CC(=NC=C1)NC2CCCCC2 MCULE-5317345408 [1,0,0,0,0,0|3,0,0]=4 29 B15R2.31 BrC1=CC(=NC=C1)OC2CCCCC2 MCULE-2920730557 [1,0,0,0,0,0|3,0,0]=4 30 B15R2.31 BrC1=CC=CC(=C1)CC2CCCCC2 MCULE-1238969751 [1,0,0,0,0,0|3,0,0]=4 31 B15R2.31 CC1=CC(=NC=C1)NC2CCCCC2 MCULE-8622782260 [1,0,0,0,0,0|3,0,0]=4 32 B15R2.31 NC1=CC(=NC=C1)OC2CCCCC2 MCULE-2518849846 [1,0,0,0,0,0|3,0,0]=4 33 B15R2.31 OC1=CC(=CC=C1)CN2CCCCC2 MCULE-3182110051 [1,0,0,0,0,0|3,0,0]=4 34 B15R2.31 OC1=CC(=CC=C1)NC2CCCCC2 MCULE-3944125450 [1,0,0,0,0,0|3,0,0]=4 35 B15R2.31 OC1=CC=CC(=C1)CC2CCNCC2 MCULE-3806256410 [1,0,0,0,0,0|3,0,0]=4 36 B15R2.31 OC1=CC=CC(=C1)CC2CCNCC2 MCULE-5183305833 [1,0,0,0,0,0|3,0,0]=4 37 B15R2.31 OC1=CC=CC(=C1)CN2CCCCC2 MCULE-8999393592 [1,0,0,0,0,0|3,0,0]=4 38 B15R2.31 OC1=NC(=NN=C1)NC2CCCCC2 MCULE-7537842130 [1,0,0,0,0,0|2,0,1]=4 39 B17R2.219 N[C@@H](C1=CC=C(C(=C1)O)O)C2CCCCC2 MCULE-2368230317 [0,1,0,0,0,0|2,0,1]=4 40 B17R2.219 N[C@@H](C1=CC=C(C(=C1)O)O)C2CCCCC2 MCULE-2670033842 [0,1,0,0,0,0|2,0,1]=4 41 B17R2.219 N[C@H](C1=CC=C(C(=C1)O)O)C2CCCCC2 MCULE-5298363990 [0,1,0,0,0,0|2,0,1]=4 42 B17R2.219 N[C@H](C1=CC=C(C(=C1)O)O)C2CCCCC2 MCULE-7471144961 [0,1,0,0,0,0|2,0,1]=4 43 B15R2.94 CC1=C(C=NC(=C1)C2CCCCC2)N MCULE-8001025317 [0,0,0,0,1,0|3,0,0]=4 44 B15R2.4083 O=C1CCC(=C1O)CC2CCCCC2 MCULE-6307214888 [0,0,0,0,1,0|2,0,0]=3 45 B17R2.193 CC1=CC(=NC=C1Br)OCC2CCCCC2 MCULE-8020208594 [0,0,0,0,0,1|3,0,0]=4 46 B14R2.6 C1=CC(=NN=C1)CC2CCNCC2 MCULE-4035994896 [2,0,0,0,0,0|1,0,1]=4 47 B14R2.6 C1=CC=C(N=C1)CC2CCCCN2 MCULE-7949524145 [2,0,0,0,0,0|2,0,0]=4 48 B14R2.6 C1=CC=C(N=C1)CC2CCNCC2 MCULE-6592607707 [2,0,0,0,0,0|2,0,0]=4 49 B14R2.6 C1=CN=C(C=C1)CC2CCCCN2 MCULE-5139597033 [2,0,0,0,0,0|2,0,0]=4 50 B14R2.6 C1=CN=C(C=C1)CC2CCCNC2 MCULE-5617285212 [2,0,0,0,0,0|2,0,0]=4 51 B14R2.6 C1=CN=C(C=C1)CC2CCNCC2 MCULE-5608550332 [2,0,0,0,0,0|2,0,0]=4 52 B14R2.6 C1=CN=C(C=C1)C[C@@H]2CCCNC2 MCULE-7442430782 [2,0,0,0,0,0|2,0,0]=4 53 B14R2.6 C1=CN=C(C=C1)C[C@H]2CCCNC2 MCULE-6177895091 [2,0,0,0,0,0|2,0,0]=4 54 B14R2.6 C1=CN=C(C=C1)NC2CCCCC2 MCULE-8664214020 [2,0,0,0,0,0|2,0,0]=4 55 B16R2.2 O=CC1=CN=C(C=C1)OC2CCCCC2 MCULE-4664518007 [1,1,0,0,0,0|2,0,0]=4 56 B16R2.120 N[C@@H](C1=NC=C(C=C1)Br)C2CCCCC2 MCULE-2716341884 [1,1,0,0,0,0|2,0,0]=4 57 B16R2.120 N[C@@H](C1=NC=C(C=C1)Br)C2CCCCC2 MCULE-8054184984 [1,1,0,0,0,0|2,0,0]=4 58 B16R2.120 N[C@H](C1=NC=C(C=C1)Br)C2CCCCC2 MCULE-2252288979 [1,1,0,0,0,0|2,0,0]=4 59 B16R2.120 N[C@H](C1=NC=C(C=C1)Br)C2CCCCC2 MCULE-2362439611 [1,1,0,0,0,0|2,0,0]=4 60 B16R2.120 O=C1C=CC(=NN1)C(=O)N2CCCCC2 MCULE-2822686550 [1,1,0,0,0,0|1,0,1]=4 61 B16R2.312 O=C1NN=C(C(=O)N1)SC2CCCCC2 MCULE-4421286976 [1,1,0,0,0,0|2,0,0]=4 62 B16R2.236 N[C@@H](C1=CC(=CC=C1)O)C2CCCCC2 MCULE-8790212085 [1,1,0,0,0,0|2,0,0]=4 63 B16R2.236 N[C@@H](C1=CC(=CC=C1)O)C2CCCCC2 MCULE-9669982322 [1,1,0,0,0,0|2,0,0]=4 64 B16R2.236 N[C@H](C1=CC(=CC=C1)O)C2CCCCC2 MCULE-1608464464 [1,1,0,0,0,0|2,0,0]=4 65 B16R2.236 N[C@H](C1=CC(=CC=C1)O)C2CCCCC2 MCULE-6514918708 [1,1,0,0,0,0|2,0,0]=4 66 B16R2.2898 CC1=NN(C(=C1O)C)CC2CCCCC2 MCULE-9286181519 [0,1,0,0,1,0|2,0,0]=4 67 B14R2.19 NC1=CC(=NN1)CC2CCCCC2 MCULE-6184423713 [1,0,0,0,1,0|1,0,0]=3 68 B14R2.19 NC1=NC(=NN1)CC2CCCCC2 MCULE-1764575360 [1,0,0,0,1,0|2,0,0]=4 69 B14R2.19 NC1=NN(C=C1)CC2CCCCC2 MCULE-7282847190 [1,0,0,0,1,0|2,0,0]=4 70 B14R2.68 O=C1C=CC(=NN1)C2CCCCC2 MCULE-3828388264 [1,0,0,0,1,0|0,0,0]=2 71 B14R2.68 O=C1C=CC(=NN1)N2CCNCC2 MCULE-3187157595 [1,0,0,0,1,0|2,0,0]=4 72 B14R2.68 O=C1C=CC(=NN1)N2CCNCC2 MCULE-4332237993 [1,0,0,0,1,0|2,0,0]=4 73 B14R2.68 O=C1C=CC(=NN1)N2CCSCC2 MCULE-7400377066 [1,0,0,0,1,0|2,0,0]=4 74 B14R2.68 S=C1C=CC(=NN1)N2CCCCC2 MCULE-4188244542 [1,0,0,0,1,0|1,1,0]=4 75 B14R2.21 OC1=CC(=CC=C1)C2CCCCC2 MCULE-7683959105 [1,0,0,0,1,0|2,0,0]=4 76 B14R2.21 OC1=NC=NC(=C1)C2CCCCC2 MCULE-1705202499 [1,0,0,0,1,0|2,0,0]=4 77 B14R2.4514 CN1C(=O)NN=C1C2CCCCC2 MCULE-2218640974 [0,0,0,0,2,0|2,0,0]=4 78 B16R2.132 ClC1=NN=C(C=C1)NCC2CCCCC2 MCULE-1995490518 [1,0,0,0,0,1|1,0,1]=4 79 B16R2.252 OC1=CC(=CN=C1)OCC2CCCCC2 MCULE-7237115520 [1,0,0,0,0,1|1,0,1]=4 80 B16R2.252 OC1=CC=CC(=C1)OCC2CCCCC2 MCULE-4915882534 [1,0,0,0,0,1|2,0,0]=4 81 B16R2.11928 CC1=CC=NC(=C1)CC2CCCCCN2 MCULE-1329841027 [1,0,0,0,0,1|2,0,0]=4 82 B16R2.11928 CC1=CC=NC(=C1)CC2CCCCCN2 MCULE-8200388320 [1,0,0,0,0,1|2,0,0]=4