0 B15R2.100 NC1=CC=C(OCC2=CC=CO2)C=C1 4010401 [0,1,0,0,0,0|3,0,0]=4 1 B15R2.100 NC1=CC=C(OCC2=CC=CS2)C=C1 4010406 [0,1,0,0,0,0|3,0,0]=4 2 B15R2.100 NC1=CC=C(SCC2=CC=CO2)C=C1 4010397 [0,1,0,0,0,0|3,0,0]=4 3 B15R2.283 NC1=NC(CCC2=CC=CC=C2)=NN1 4015724 [0,1,0,0,0,0|1,0,0]=2 4 B15R2.283 NC1=NN=C(CCC2=CC=CC=C2)S1 5315400 [0,1,0,0,0,0|2,0,1]=4 5 B15R2.283 NC1=NNC(NCC2=CC=CC=C2)=N1 4022738 [0,1,0,0,0,0|2,0,1]=4 6 B15R2.562 NC1=CC=CC=C1OCC2=CC=CO2 4010400 [0,1,0,0,0,0|3,0,0]=4 7 B15R2.562 NC1=CC=CC=C1OCC2=CC=CO2 4090140 [0,1,0,0,0,0|3,0,0]=4 8 B15R2.1259 NC(CN1C=CC=N1)C2=CC=CC=C2 4011403 [0,1,0,0,0,0|2,0,0]=3 9 B15R2.1259 NC(CN1C=CC=N1)C2=CC=CC=C2 4089133 [0,1,0,0,0,0|2,0,0]=3 10 B15R2.1259 NC(CN1C=CN=C1)C2=CC=CC=C2 4002262 [0,1,0,0,0,0|2,0,1]=4 11 B15R2.1259 NC(CN1C=CN=C1)C2=CC=CC=C2 4089984 [0,1,0,0,0,0|2,0,1]=4 12 B15R2.2196 C1=CC=C(CNCC2=CC=CO2)N=C1 4090305 [0,0,0,0,0,1|3,0,0]=4 13 B15R2.2196 C1=CC=C(CNCC2=CC=CO2)N=C1 4101656 [0,0,0,0,0,1|3,0,0]=4 14 B15R2.2196 C1=CN=CC(CNCC2=CC=CO2)=C1 4091136 [0,0,0,0,0,1|3,0,0]=4 15 B15R2.2196 C1=CN=CC(CNCC2=CC=CO2)=C1 4101657 [0,0,0,0,0,1|3,0,0]=4 16 B15R2.2196 C1=CN=CC(CNCC2=CSC=C2)=C1 4088162 [0,0,0,0,0,1|3,0,0]=4 17 B15R2.2196 C1=CN=CC(CNCC2=CSC=C2)=C1 9037878 [0,0,0,0,0,1|3,0,0]=4 18 B15R2.2196 C1=COC(CNCC2=CC=NC=C2)=C1 4101658 [0,0,0,0,0,1|3,0,0]=4 19 B12R1.27 NNC(=O)CCC1=CC=CC=C1 3017808 [1,0,1,0,0,0|1,0,1]=4 20 B12R1.27 NNC(=O)CCC1=CC=CC=C1 4045083 [1,0,1,0,0,0|1,0,1]=4 21 B14R2.19 BrC1=CN(CC2=CC=CC=C2)N=C1 9001516 [0,1,0,0,1,0|2,0,0]=4 22 B14R2.19 ClC1=NNC(CC2=CC=CC=C2)=N1 4018523 [0,1,0,0,1,0|1,0,1]=4 23 B14R2.19 NC1=CN(CC2=CC=CC=C2)N=C1 4029886 [0,1,0,0,1,0|2,0,0]=4 24 B14R2.19 NC1=NC(CC2=CC=CC=C2)=NN1 4015723 [0,1,0,0,1,0|1,0,0]=3 25 B14R2.19 NC1=NC=C(CC2=CC=CC=C2)S1 4006047 [0,1,0,0,1,0|1,0,1]=4 26 B14R2.19 NC1=NN(CC2=CC=CC=C2)C=C1 4031721 [0,1,0,0,1,0|2,0,0]=4 27 B14R2.30 NC1=CC=NN1CC2=CC=CC=C2 4013055 [0,1,0,0,1,0|2,0,0]=4 28 B14R2.114 NC(C1=CC=CC=C1)C2=CC=CO2 4003864 [0,1,0,0,1,0|2,0,0]=4 29 B14R2.114 NC(C1=CC=CC=C1)C2=CC=CO2 4089262 [0,1,0,0,1,0|2,0,0]=4 30 B14R2.114 NC(C1=CC=CC=C1)C2=CC=CS2 4027663 [0,1,0,0,1,0|2,0,0]=4 31 B14R2.716 NC1=CC(CN2C=NC=N2)=CC=C1 4011704 [0,1,0,0,1,0|1,0,1]=4 32 B16R2.71 NC1=C(OCC2=NC=CC=C2)C=CC=C1 4012448 [0,1,0,0,0,1|2,0,0]=4 33 B16R2.71 NC1=CC=CC=C1CCC2=NC=CC=C2 4027372 [0,1,0,0,0,1|1,0,0]=3 34 B16R2.71 NC1=NC=CC=C1NCC2=CC=CC=C2 4040959 [0,1,0,0,0,1|2,0,0]=4 35 B16R2.132 NC1=CC=C(CCC2=NC=CC=C2)C=C1 4033581 [0,1,0,0,0,1|1,0,0]=3 36 B16R2.132 NC1=CC=C(CCC2=NC=CC=C2)C=C1 4090222 [0,1,0,0,0,1|1,0,0]=3 37 B16R2.132 NC1=CN=C(NCC2=CC=CC=C2)C=C1 4021959 [0,1,0,0,0,1|2,0,0]=4 38 B16R2.3250 CC1=C(CNCC2=CC=CC=C2)SC=N1 4002829 [0,1,0,0,0,1|1,0,1]=4 39 B16R2.2843 CC(OC1=CC=CC=C1)C2=CSC(N)=N2 4012380 [0,2,0,0,0,0|2,0,0]=4 40 B16R3.335 NC1=NC2=C(CCC3=C2C=CC=C3)S1 4028415 [0,1,0,1,0,0|1,0,1]=4 41 B12R2.2 C1=CC=C(C2=NNC=N2)N=C1 4035532 [0,0,0,0,2,0|2,0,0]=4 42 B16R2.2257 C1=CC=C(CCNCC2=CC=CO2)C=C1 4088325 [0,0,0,0,0,2|2,0,0]=4 43 B16R2.2257 C1=CC=C(CCNCC2=CC=CO2)C=C1 5575572 [0,0,0,0,0,2|2,0,0]=4