0 B14R2.11645 O=C1NC2=C(C=CC=C2OC)C1=O AK-79361 [0,0,0,0,0,0|1,0,1]=2 1 B13R2.573 COC1=C2NN=C(I)C2=CC=C1 AK-68505 [1,0,0,0,0,0|3,0,0]=4 2 B13R2.581 O=C1SC2=CC=CC(OC)=C2N1 AK-45407 [1,0,0,0,0,0|1,0,0]=2 3 B13R2.4825 C1=CC=C(Br)C2=C1C(=O)C(=O)N2 AK-26794 [1,0,0,0,0,0|2,0,1]=4 4 B13R2.4825 C1=CC=C(C2=C1C(C(=O)N2)=O)Cl AK-26712 [1,0,0,0,0,0|2,0,1]=4 5 B13R2.4825 CC1=C2NC(=O)C(=O)C2=CC=C1 AK-75781 [1,0,0,0,0,0|1,0,1]=3 6 B13R2.4825 FC1=C2NC(C(C2=CC=C1)=O)=O AK-29137 [1,0,0,0,0,0|2,0,1]=4 7 B15R2.22165 COC1=C2NC(=O)C(=O)C2=C(Br)C=C1 AK-82198 [0,1,0,0,0,0|1,0,1]=3 8 B13R1.91 O=C(NC1=CC=CC=C1OC)CCl AK-98212 [0,0,1,0,0,0|2,0,0]=3 9 B12R1.435 O=C(C1=CC=CC(OC)=C1)C=O AK-10036 [1,0,1,0,0,0|1,0,1]=4 10 B12R1.440 C1=C(C(=C(C=C1)OC)N)C(O)=O AK-29138 [1,0,1,0,0,0|1,0,0]=3 11 B12R1.440 C1=CC=C(C(=C1C(O)=O)O)OC AK-47661 [1,0,1,0,0,0|2,0,0]=4 12 B12R1.440 C1=CC=C([N+]([O-])=O)C(=C1OC)N AK-33590 [1,0,1,0,0,0|0,0,2]=4 13 B12R1.440 COC1=CC=CC(=C1C)C(=O)O AK-27088 [1,0,1,0,0,0|2,0,0]=4 14 B12R1.440 COC1=CC=CC(C(C)=O)=C1N AK-41477 [1,0,1,0,0,0|2,0,0]=4 15 B12R1.440 O=C(O)C1=CC=CC(OC)=C1Br AK-75729 [1,0,1,0,0,0|2,0,0]=4 16 B12R1.440 O=C(O)C1=CC=CC(OC)=C1F AK-24777 [1,0,1,0,0,0|2,0,0]=4 17 B12R1.440 O=C(O)C1=CC=NC(OC)=C1N AK-39940 [1,0,1,0,0,0|2,0,0]=4 18 B12R1.75 C1=CC=CC(=C1CC(O)=O)OC AK-47557 [1,0,1,0,0,0|1,0,0]=3 19 B12R1.438 NC(NC1=CC=CC(OC)=C1)=N AK-68712 [1,0,1,0,0,0|1,0,0]=3 20 B12R1.438 O=C(O)CC1=CC=CC(OC)=C1 AK-46642 [1,0,1,0,0,0|2,0,0]=4 21 B12R1.1879 O=CC1=C(OC)C=CC=C1OC AK-79290 [1,0,1,0,0,0|2,0,0]=4 22 B12R2.196 OC1=CC=CC2=C1C=CN2C AK-77291 [2,0,0,0,0,0|2,0,0]=4 23 B12R2.315 C1=C[NH]C2=C1C(=CC=C2)OC AK-29290 [2,0,0,0,0,0|1,0,0]=3 24 B12R2.315 COC1=C2NC=NC2=CC=C1 AK149731 [2,0,0,0,0,0|0,0,1]=3 25 B12R2.315 COC1=C2NN=CC2=CC=C1 AK-58155 [2,0,0,0,0,0|2,0,0]=4 26 B12R2.315 COC1=C2OC=CC2=CC=C1 AK-86257 [2,0,0,0,0,0|2,0,0]=4 27 B12R2.315 COC1=CC=CC2=C1C=NN2 AK-32142 [2,0,0,0,0,0|2,0,0]=4 28 B12R2.315 COC1=CC=CC2=C1NC=C2 AK-29141 [2,0,0,0,0,0|1,0,0]=3 29 B12R2.315 COC1=NC=CC2=C1C=CN2 AK-59596 [2,0,0,0,0,0|2,0,0]=4 30 B12R2.202 C1=C2NC(CC2=C(Br)C=C1)=O AK-39917 [2,0,0,0,0,0|2,0,0]=4 31 B12R2.202 FC1=CC=CC2=C1NC(=O)S2 AK-87026 [2,0,0,0,0,0|2,0,0]=4 32 B12R2.202 NC1=NC2=C(C)C=CC=C2N1 AK151278 [2,0,0,0,0,0|1,0,1]=4 33 B12R2.202 O=C1CC2=NC=CC(C)=C2N1 AK-59577 [2,0,0,0,0,0|2,0,0]=4 34 B12R2.202 O=C1NC2=C(C(C)=CC=C2)C1 AK-57812 [2,0,0,0,0,0|1,0,0]=3 35 B12R2.202 O=C1NC2=C(C(Cl)=CC=C2)C1 AK-34054 [2,0,0,0,0,0|2,0,0]=4 36 B12R2.202 O=C1NC2=C(C(F)=CC=C2)C1 AK-33206 [2,0,0,0,0,0|2,0,0]=4 37 B12R2.202 O=C1NC2=C(C(O)=CC=C2)C1 AK-58192 [2,0,0,0,0,0|1,0,0]=3 38 B12R2.202 O=C1NC2=C(C=CC=C2Br)C1 AK-41628 [2,0,0,0,0,0|2,0,0]=4 39 B12R2.202 O=C1NC2=C(C=CC=C2Cl)C1 AK-31070 [2,0,0,0,0,0|2,0,0]=4 40 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 AK-51558 [2,0,0,0,0,0|2,0,0]=4 41 B12R2.202 O=C1NC2=C(F)C=CC=C2N1 AK-46854 [2,0,0,0,0,0|1,0,0]=3 42 B12R2.202 O=C1NC2=C(N1)C=NC=C2Br AK-28164 [2,0,0,0,0,0|2,0,0]=4 43 B12R2.202 OC1=CC=CC2=C1C=C(C)N2 AK-23777 [2,0,0,0,0,0|2,0,0]=4 44 B12R2.202 S=C1SC2=CC=CC(C)=C2N1 AK119588 [2,0,0,0,0,0|1,1,0]=4 45 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O AK-29599 [2,0,0,0,0,0|1,0,1]=4 46 B14R2.535 O=C1NC2=C(C(CCO)=CC=C2)C1 AK-77220 [1,1,0,0,0,0|2,0,0]=4 47 B14R2.712 OC(=O)C1=CC=CC2=C1NC(=O)N2 AK110657 [1,1,0,0,0,0|2,0,0]=4 48 B14R2.9184 CC1=C2NC(=O)C(=O)C2=CC(Cl)=C1 AK-87883 [1,1,0,0,0,0|1,0,1]=4 49 B14R2.9184 O=C1NC2=C(C=C(C)C=C2C)C1=O AK-89762 [1,1,0,0,0,0|1,0,1]=4 50 B16R2.172725 O=C(C1=CC=CC2=C1NC(C2=O)=O)OC AK-32111 [0,2,0,0,0,0|1,0,1]=4 51 B14R2.3274 C1=C2C(=CC=C1OC)NC(C2=O)=O AK-48222 [0,0,1,1,0,0|1,0,1]=4 52 B12R1.77 COC1=CC=CC=C1C(CBr)=O AK114423 [0,0,1,0,1,0|2,0,0]=4 53 B12R1.77 COC1=CC=CC=C1C(CN)=O AK141727 [0,0,1,0,1,0|2,0,0]=4 54 B12R1.77 O=C(OC)C1=CC=CC=C1OC AK-94060 [0,0,1,0,1,0|2,0,0]=4 55 B14R2.8045 O=C1NC(C2=C(N1)C(=CC=C2)C)=O AK138340 [1,0,0,0,0,1|1,0,1]=4 56 B14R2.8045 O=C1NC2=C(C=CC=C2C)C(O)=C1 AK-99819 [1,0,0,0,0,1|1,0,0]=3 57 B14R2.1815 COC1=CC=C2C(=C1)NC(C2=O)=O AK-41925 [0,0,0,0,1,1|1,0,1]=4