0 B15R3.15273 CC1=C2C(=CC=C1)SC3=NN=CN23 Z1198150056 [0,0,0,0,0,0|0,0,0]=0 1 B14R3.49 C1=CC2=C(C=C1)C3=CN=NN3C2 Z1255493961 [1,0,0,0,0,0|3,0,0]=4 2 B14R3.49 C1=CC2=C(C=C1)N3C=NN=C3S2 Z56791559 [1,0,0,0,0,0|0,0,0]=1 3 B16R3.52705 CC1=C2C(=CC(=C1)Cl)SC3=NN=CN23 Z2651656300 [0,1,0,0,0,0|0,0,0]=1 4 B14R2.296 CC1=C(C=CC=C1)N2C=CN=C2S Z57986000 [0,0,1,0,0,0|1,0,0]=2 5 B14R2.296 CC1=C(C=CC=C1)N2C=NN=C2S Z56998584 [0,0,1,0,0,0|0,0,0]=1 6 B14R2.296 CC1=C(C=CC=C1)N2N=NN=C2N Z1198183969 [0,0,1,0,0,0|2,0,0]=3 7 B14R2.296 CC1=C(C=CC=C1)N2N=NN=C2S Z56889095 [0,0,1,0,0,0|1,0,0]=2 8 B14R2.296 CC1=NC=CN1C2=C(C=CC=C2)N Z2689975660 [0,0,1,0,0,0|3,0,0]=4 9 B14R2.296 CC1=NN=CN1C2=C(C=CC=C2)N Z1262635644 [0,0,1,0,0,0|2,0,0]=3 10 B14R2.296 FC1=C(C=CC=C1)N2C=NN=C2S Z90662202 [0,0,1,0,0,0|1,0,0]=2 11 B14R2.9066 NC1=C(C(=CC=C1)Cl)N2C=CN=C2 Z239137298 [0,0,1,0,0,0|3,0,0]=4 12 B13R2.15 ClC1=NN=NN1C2=CC=CC=C2 Z104474232 [1,0,1,0,0,0|2,0,0]=4 13 B13R2.15 NC1=NC=CN1C2=CC=CC=C2 Z1262623446 [1,0,1,0,0,0|2,0,0]=4 14 B13R2.15 NC1=NN=CN1C2=CC=CC=C2 Z995129300 [1,0,1,0,0,0|1,0,0]=3 15 B13R2.15 NC1=NN=CN1C2=CN=CC=C2 Z1262650438 [1,0,1,0,0,0|2,0,0]=4 16 B13R2.15 NC1=NN=NN1C2=CC=CC=C2 Z56788744 [1,0,1,0,0,0|2,0,0]=4 17 B13R2.15 O=C1NN=CN1C2=CC=CC=C2 Z57469886 [1,0,1,0,0,0|0,1,1]=4 18 B13R2.15 SC1=NC=CN1C2=CC=CC=C2 Z283822906 [1,0,1,0,0,0|1,0,0]=3 19 B13R2.15 SC1=NN=CN1C2=CC=CC=C2 Z57982052 [1,0,1,0,0,0|0,0,0]=2 20 B13R2.18 CC1=C(C=CC=C1)C2=CNN=C2 Z1255416867 [1,0,1,0,0,0|1,0,1]=4 21 B13R2.18 CC1=C(C=CN=C1)N2C=CN=C2 Z3400429857 [1,0,1,0,0,0|2,0,0]=4 22 B13R2.18 CC1=C(C=NC=C1)N2C=CN=C2 Z1335657611 [1,0,1,0,0,0|2,0,0]=4 23 B13R2.18 NC1=C(C=CC=C1)N2C=CN=C2 Z239137306 [1,0,1,0,0,0|2,0,0]=4 24 B13R2.18 NC1=C(C=CC=C1)N2C=NN=C2 Z970090876 [1,0,1,0,0,0|1,0,0]=3 25 B13R2.18 NC1=C(C=CC=C1)N2C=NN=N2 Z255119060 [1,0,1,0,0,0|2,0,0]=4 26 B13R2.18 OC1=C(C=CC=C1)N2C=CN=C2 Z1203790162 [1,0,1,0,0,0|1,1,0]=4 27 B13R2.64 C1=CC(=CN=C1)NC2=NN=CN2 Z2032287089 [1,0,1,0,0,0|2,0,0]=4 28 B13R2.64 C1=CC=C(C=C1)CC2=NN=CN2 Z1262564339 [1,0,1,0,0,0|1,0,0]=3 29 B13R2.64 C1=CC=C(C=C1)CC2=NN=NN2 Z1000626 [1,0,1,0,0,0|2,0,0]=4 30 B13R2.64 C1=CC=C(C=C1)NC2=NN=CS2 Z56347187 [1,0,1,0,0,0|2,0,0]=4 31 B13R2.45 CN\1C2=C(C=CC=C2)S/C1=N/N Z271004716 [1,0,1,0,0,0|0,0,2]=4 32 B15R2.337 CC1=C(C(=CC=C1)N2C=CN=C2S)C Z57982068 [0,1,1,0,0,0|1,0,0]=3 33 B15R2.337 CC1=C(C(=CC=C1)N2N=NN=C2S)C Z57990854 [0,1,1,0,0,0|1,0,0]=3 34 B15R2.337 CC1=C(C=CC=C1Cl)N2C=CN=C2S Z85921055 [0,1,1,0,0,0|1,0,0]=3 35 B15R2.337 CC1=C(C=CC=C1N)N2C=NNC2=O Z1939240414 [0,1,1,0,0,0|0,1,1]=4 36 B15R2.390 CC1=CC(=C(C=C1)C)N2C=CN=C2S Z57982067 [0,1,1,0,0,0|1,0,0]=3 37 B15R2.390 CC1=CC(=C(C=C1)C)N2C=NN=C2S Z56347442 [0,1,1,0,0,0|0,0,0]=2 38 B15R2.390 CC1=CC(=C(C=C1)C)N2N=NN=C2S Z56844959 [0,1,1,0,0,0|1,0,0]=3 39 B15R2.390 CC1=NN=NN1C2=C(C=CC(=C2)N)C Z440640388 [0,1,1,0,0,0|2,0,0]=4 40 B15R2.2302 COC1=C(C=CC=C1)N2C=NN=C2S Z56921382 [0,1,1,0,0,0|0,0,0]=2 41 B15R2.2302 COC1=C(C=CC=C1)N2N=NN=C2S Z56921539 [0,1,1,0,0,0|1,0,0]=3 42 B15R2.2348 CNC1=NN=NN1C2=C(C=CC=C2)C Z1262581691 [0,1,1,0,0,0|2,0,0]=4 43 B15R2.2348 CSC1=NN=CN1C2=C(C=CC=C2)C Z17845026 [0,1,1,0,0,0|0,0,0]=2 44 B15R2.7458 CC1=C(C=CC=C1)N2C(=O)CN=C2S Z85921938 [0,1,1,0,0,0|1,0,0]=3 45 B15R2.7458 CC1=NN=C(N1C2=C(C=CC=C2)C)S Z57000547 [0,1,1,0,0,0|0,0,0]=2 46 B15R2.7458 O=C1CN=C(N1C2=C(C=CC=C2)Cl)S Z85921054 [0,1,1,0,0,0|2,0,0]=4 47 B15R2.7458 O=C1CN=C(N1C2=C(C=CC=C2)F)S Z85936366 [0,1,1,0,0,0|2,0,0]=4 48 B15R2.7536 CC1=CC(=C(C=C1)N2C=CN=C2S)C Z56919242 [0,1,1,0,0,0|1,0,0]=3 49 B15R2.7536 CC1=CC(=C(C=C1)N2C=NN=C2S)C Z56347526 [0,1,1,0,0,0|0,0,0]=2 50 B15R2.7536 CC1=CC(=C(C=C1)N2N=NN=C2S)C Z56851199 [0,1,1,0,0,0|1,0,0]=3 51 B15R2.7647 CC1=CC=CC(=C1N2C=CN=C2S)C Z367650872 [0,1,1,0,0,0|1,0,0]=3 52 B15R2.7647 CC1=CC=CC(=C1N2N=NN=C2N)C Z1262634829 [0,1,1,0,0,0|2,0,0]=4 53 B15R2.7647 CC1=CC=CC(=C1N2N=NN=C2S)C Z57985659 [0,1,1,0,0,0|1,0,0]=3 54 B15R2.335 CN1C=NN=C1CC2=CC(=CC=C2)Br Z1416188648 [0,1,1,0,0,0|2,0,0]=4 55 B15R2.1115 CC1=CC(=CC=C1)NC2=NN=C(S2)S Z56837065 [0,1,1,0,0,0|2,0,0]=4 56 B15R3.10083 SC1=NN=C2N1C3=C(N2)C=CC=C3 Z56895728 [1,1,0,0,0,0|1,0,0]=3 57 B15R3.10083 SC1=NN=C2N1C3=C(O2)C=CC=C3 Z56922206 [1,1,0,0,0,0|0,1,0]=3 58 B15R3.10591 NC1=CC2=C(C=C1)SC3=NCCN23 Z448248214 [1,1,0,0,0,0|1,0,1]=4 59 B13R2.13 BrC1=CC(=CC=C1)C2=NC=CN2 Z728187806 [0,0,1,0,1,0|2,0,0]=4 60 B13R2.13 BrC1=CC(=CC=C1)C2=NN=CO2 Z57437750 [0,0,1,0,1,0|2,0,0]=4 61 B13R2.13 BrC1=CC(=CC=C1)C2=NN=NN2 Z1000965 [0,0,1,0,1,0|2,0,0]=4 62 B13R2.13 CC1=CC(=CC=C1)C2=NCCN2 Z285049242 [0,0,1,0,1,0|1,0,1]=4 63 B13R2.13 CC1=NC(=CC=C1)C2=NN=NN2 Z1001004 [0,0,1,0,1,0|2,0,0]=4 64 B13R2.13 ClC1=CC(=CC=C1)C2=NN=CO2 Z55670851 [0,0,1,0,1,0|2,0,0]=4 65 B13R2.13 IC1=CC(=CC=C1)C2=NN=NN2 Z1001158 [0,0,1,0,1,0|2,0,0]=4 66 B13R2.13 NC1=CC(=CC=C1)C2=NC=CN2 Z1160899483 [0,0,1,0,1,0|2,0,0]=4 67 B13R2.13 NC1=CC(=CC=C1)C2=NN=CN2 Z1267881699 [0,0,1,0,1,0|1,0,0]=3 68 B13R2.13 NC1=CC(=CC=C1)C2=NN=NN2 Z56347234 [0,0,1,0,1,0|2,0,0]=4 69 B13R2.13 OC1=CC(=CC=C1)C2=NN=CN2 Z1201703035 [0,0,1,0,1,0|1,0,0]=3 70 B13R2.13 OC1=CC(=CC=C1)C2=NN=CO2 Z57615381 [0,0,1,0,1,0|2,0,0]=4 71 B13R2.3042 CC1=CC=C(N1N2C=NN=C2)C Z56979401 [0,0,1,0,1,0|2,0,0]=4 72 B15R2.1117 CC1=CC(=CC=C1)CSC2=NN=CS2 Z25108006 [0,0,1,0,0,1|1,0,0]=3 73 B15R2.1117 ClC1=CC(=CC=C1)CSC2=NN=CN2 Z18741439 [0,0,1,0,0,1|1,0,0]=3 74 B15R2.1117 FC1=CC(=CC=C1)CSC2=NN=CS2 Z25106711 [0,0,1,0,0,1|2,0,0]=4 75 B15R2.1117 OC1=CC(=CC=C1)CSC2=NN=NN2 Z4604985954 [0,0,1,0,0,1|2,0,0]=4