0 B19R2.1025 N#CC1=CN(C(=O)NC1=O)OCC2=CC=CC=C2 MCULE-8304816663 [0,1,0,0,0,0|3,0,0]=4 1 B17R1.16303 CC(NC(=O)NCCC1=CC=CC=C1)C(=O)O MCULE-3418543275 [0,0,1,0,0,0|2,0,1]=4 2 B17R1.16303 C[C@H](NC(=O)NCCC1=CC=CC=C1)C(=O)O MCULE-6688236350 [0,0,1,0,0,0|2,0,1]=4 3 B17R2.5352 CC1=CN(C(=O)NC1=O)CC2=CC=CC=C2 MCULE-4654323255 [0,0,0,0,1,0|2,0,0]=3 4 B17R2.5352 CC1=NN(C(=O)NC1=O)CC2=CC=CC=C2 MCULE-9420882664 [0,0,0,0,1,0|1,0,0]=2 5 B17R2.5352 CC1=NN(C(=S)NC1=O)CC2=CC=CC=C2 MCULE-8414636150 [0,0,0,0,1,0|1,1,0]=3 6 B17R2.5352 CC1CN(C(=O)NC1=O)CC2=CC=CC=C2 MCULE-5710206772 [0,0,0,0,1,0|2,0,1]=4 7 B17R2.5352 O=C1NC(=O)N(C=C1Br)CC2=CC=CC=C2 MCULE-7952158260 [0,0,0,0,1,0|2,0,0]=3 8 B17R2.5352 O=C1NC(=O)N(C=C1Cl)CC2=CC=CC=C2 MCULE-4500054312 [0,0,0,0,1,0|2,0,0]=3 9 B17R2.5352 O=C1NC(=O)N(C=C1F)CC2=CC=CC=C2 MCULE-8255470577 [0,0,0,0,1,0|2,0,0]=3 10 B17R2.5352 O=C1NC(=O)N(C=C1I)CC2=CC=CC=C2 MCULE-5040635918 [0,0,0,0,1,0|2,0,0]=3 11 B17R2.42439 CC1=NN(C(=C1I)C)CCC2=CC=CC=C2 MCULE-7356173296 [0,0,0,0,1,0|3,0,0]=4 12 B17R2.42439 CC1=NN(C(=C1N)C)CCC2=CC=CC=C2 MCULE-6377847111 [0,0,0,0,1,0|3,0,0]=4 13 B19R2.7722 CC1=CN(C(=O)NC1=O)CCOC2=CC=CC=C2 MCULE-5628870697 [0,0,0,0,0,1|2,0,0]=3 14 B19R2.7722 CC1=CN(C(=O)NC1=O)COCC2=CC=CC=C2 MCULE-1556021239 [0,0,0,0,0,1|2,0,0]=3 15 B16R1.18213 O=C(O)C=CC(=O)NCCC1=CC=CC=C1 MCULE-4076517092 [1,0,1,0,0,0|2,0,0]=4 16 B16R1.12227 CC(=O)N(CCC1=CC=CC=C1)CC(=O)O MCULE-1764422595 [1,0,1,0,0,0|2,0,0]=4 17 B16R2.71 O=C1C=CC=CN1CCC2=CC=CC=C2 MCULE-3381821818 [2,0,0,0,0,0|2,0,0]=4 18 B18R2.6540 O=C1C=NN(C(=O)N1)CC(=O)C2=CC=CC=C2 MCULE-8937437919 [1,1,0,0,0,0|0,0,1]=3 19 B18R2.38168 NC1=CC(=O)NC(=O)N1CCC2=CC=CC=C2 MCULE-3905566451 [1,1,0,0,0,0|1,0,0]=3 20 B18R2.38168 NC1=CC(=O)NC(=S)N1CCC2=CC=CC=C2 MCULE-5976280757 [1,1,0,0,0,0|1,1,0]=4 21 B18R2.38168 O=C1CC(=O)N(C(=O)N1)CCC2=CC=CC=C2 MCULE-1261181335 [1,1,0,0,0,0|1,0,1]=4 22 B18R2.1623 N#CC1=CN(C(=O)NC1=O)CC2=CC=CC=C2 MCULE-8003918131 [0,1,0,0,1,0|2,0,0]=4 23 B18R2.29863 CC1=CN(C(=O)NC1=O)CC2=CC=C(C=C2)Cl MCULE-1405044781 [0,1,0,0,1,0|2,0,0]=4 24 B18R2.38151 CC1=C(C(=O)NC(=O)N1CC2=CC=CC=C2)Br MCULE-6621793568 [0,1,0,0,1,0|2,0,0]=4 25 B18R2.38151 NC1=C(C(=O)NC(=O)N1CC2=CC=CC=C2)Br MCULE-3234227981 [0,1,0,0,1,0|2,0,0]=4 26 B18R2.38151 NC1=C(C(=O)NC(=O)N1CC2=CC=CC=C2)Cl MCULE-8660680619 [0,1,0,0,1,0|2,0,0]=4 27 B18R2.38151 NC1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N MCULE-2217277498 [0,1,0,0,1,0|2,0,0]=4 28 B18R2.38151 [NH3+]C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)[O-] MCULE-9944411099 [0,1,0,0,1,0|2,0,0]=4 29 B18R2.39530 CC1=CN(C(=O)NC1=O)CC2=C(C=CC=C2)C MCULE-2108556457 [0,1,0,0,1,0|2,0,0]=4 30 B18R2.63370 O=C1NC(=O)N(C1=O)OCC2=C(C=CC=C2)F MCULE-7806368777 [0,1,0,0,1,0|1,0,1]=4 31 B18R2.94068 O=C1NC(=O)N(C1=O)OCC2=CC=C(C=C2)Cl MCULE-4708214001 [0,1,0,0,1,0|1,0,1]=4 32 B18R2.94068 O=C1NC(=O)N(C1=O)OCC2=CC=C(C=C2)F MCULE-5439591958 [0,1,0,0,1,0|1,0,1]=4 33 B18R2.272727 O=C1NC(=O)N(C1=O)OCC2=CC=CC(=C2)Cl MCULE-5275999503 [0,1,0,0,1,0|1,0,1]=4 34 B20R2.23150 CC1=C(C(=O)NC(=O)N1COCC2=CC=CC=C2)Br MCULE-7564145523 [0,1,0,0,0,1|2,0,0]=4 35 B20R2.240697 CC1=CC=C(C=C1)OCCN2C=C(C(=O)NC2=O)Br MCULE-4943602195 [0,1,0,0,0,1|2,0,0]=4 36 B20R2.240697 CC1=CN(C(=O)NC1=O)CCOC2=CC=C(C=C2)Cl MCULE-1365391878 [0,1,0,0,0,1|2,0,0]=4 37 B20R2.240697 O=C1NC(=O)N(C=C1Br)CCOC2=CC=C(C=C2)Cl MCULE-5342947457 [0,1,0,0,0,1|2,0,0]=4 38 B20R2.639566 CC1=CC(=CC=C1)OCCN2C=C(C(=O)NC2=O)C MCULE-1109835459 [0,1,0,0,0,1|2,0,0]=4 39 B20R2.63870 NC1=C(C(=O)NC(=O)N1CCC2=CC=CC=C2)N=O MCULE-6004423669 [0,2,0,0,0,0|1,0,1]=4 40 B16R2.312 O=C1C=C(C=NN1CC2=CC=CC=C2)Br MCULE-9776065899 [1,0,0,0,1,0|2,0,0]=4 41 B16R2.312 O=C1C=C(C=NN1CC2=CC=CC=C2)I MCULE-2923585634 [1,0,0,0,1,0|2,0,0]=4 42 B16R2.312 O=C1C=CN(C(=O)N1)CC2=CC=CC=C2 MCULE-2471984895 [1,0,0,0,1,0|1,0,0]=3 43 B16R2.312 O=C1C=NN(C(=O)N1)CC2=CC=CC=C2 MCULE-6657706374 [1,0,0,0,1,0|0,0,0]=2 44 B16R2.312 O=C1CCN(C(=O)N1)CC2=CC=CC=C2 MCULE-7312380065 [1,0,0,0,1,0|1,0,1]=4 45 B16R2.2904 CC1=NN(C(=O)C1)CCC2=CC=CC=C2 MCULE-9835238632 [1,0,0,0,1,0|2,0,0]=4 46 B16R2.2904 O=C1CN(C(=O)N1)NCC2=CC=CC=C2 MCULE-6366131166 [1,0,0,0,1,0|1,0,1]=4 47 B16R2.2904 O=C1NC(=O)C(N1)CCC2=CC=CC=C2 MCULE-4221939648 [1,0,0,0,1,0|1,0,1]=4 48 B16R2.317 CC1=NN(C(=O)C=C1)CC2=CC=CC=C2 MCULE-3363255268 [1,0,0,0,1,0|2,0,0]=4 49 B16R2.317 O=C1C=CC(=NN1CC2=CC=CC=C2)Br MCULE-3517599724 [1,0,0,0,1,0|2,0,0]=4 50 B16R2.317 O=C1C=CC(=NN1CC2=CC=CC=C2)Cl MCULE-2218007357 [1,0,0,0,1,0|2,0,0]=4 51 B16R2.2948 O=C1C=CC(=O)N1CCC2=CC=CC=C2 MCULE-1378549216 [1,0,0,0,1,0|1,0,1]=4 52 B16R2.2948 O=C1NN=C(N1CCC2=CC=CC=C2)S MCULE-1333115423 [1,0,0,0,1,0|1,1,0]=4 53 B16R2.2900 O=C1NC(=O)N(C1=O)CC2=CC=CC=C2 MCULE-3935719785 [0,0,0,0,2,0|0,0,1]=3 54 B16R2.80306 O=C1NC(=O)N(C1=O)CCC2=CC=CS2 MCULE-2946831543 [0,0,0,0,2,0|1,0,1]=4 55 B18R2.4060 O=C1C=CN(C(=O)N1)CCOC2=CC=CC=C2 MCULE-2520762411 [1,0,0,0,0,1|1,0,0]=3 56 B18R2.4060 O=C1C=CN(C(=O)N1)COCC2=CC=CC=C2 MCULE-7641554382 [1,0,0,0,0,1|1,0,0]=3