0 B17R3.4462 CN1CCCC2=C(C3=C(CCC3)N=C12)N MCULE-5753785969 [0,0,0,0,0,0|0,0,0]=0 1 B17R3.4462 CN1CCCC2=C1N=C3CCCC3=C2[NH3+] MCULE-4998482566 [0,0,0,0,0,0|0,0,1]=1 2 B16R3.2754 NC1=C2CCCC2=NC3=C1CCCC3 MCULE-2974902026 [1,0,0,0,0,0|1,0,0]=2 3 B16R3.2754 NC1=C2CCCCC2=CC3=C1CCC3 MCULE-6223963703 [1,0,0,0,0,0|2,0,0]=3 4 B16R3.2754 NC1=C2CCCCC2=NC3=C1CCC3 MCULE-4687534286 [1,0,0,0,0,0|1,0,0]=2 5 B16R3.2754 NC1=C2CCOC2=NC3=C1CCCC3 MCULE-7532400229 [1,0,0,0,0,0|2,0,0]=3 6 B16R2.1632 CN1CCCCC1=NC2=C(CCC2)C#N MCULE-1353118966 [0,0,1,0,0,0|0,0,3]=4 7 B16R3.2617 CN1CCC2=C(C3=C(CCC3)N=C12)N MCULE-7830543014 [0,0,0,0,1,0|0,0,0]=1 8 B16R3.2617 NC1=C2CCC(=O)C2=CC3=C1CCC3 MCULE-8758840878 [0,0,0,0,1,0|3,0,0]=4 9 B16R3.2617 NC1=C2CCC(C2=CC3=C1CCC3)N MCULE-8733661614 [0,0,0,0,1,0|3,0,0]=4 10 B18R3.5896 CC1CCCC2=C1OC3=C(C2=O)CCCC3 MCULE-8752919723 [0,0,0,0,0,1|3,0,0]=4 11 B18R3.5896 CN1CCCC2=C(C3=C(C=CC=C3)N=C12)N MCULE-1510073525 [0,0,0,0,0,1|0,0,3]=4 12 B18R3.5896 CN1CCCC2=C(C3=C(C=CC=C3)N=C12)N MCULE-5707696811 [0,0,0,0,0,1|0,0,3]=4 13 B18R3.5896 CN1CCCC2=C1N=C3CCCCC3=C2N MCULE-4460315060 [0,0,0,0,0,1|0,0,0]=1 14 B18R3.5896 CN1CCCC2=C1N=C3CCCCC3=C2N MCULE-4558102159 [0,0,0,0,0,1|0,0,0]=1 15 B18R3.6822 CN1CCCCC2=C1N=C3CCCC3=C2N MCULE-2431197791 [0,0,0,0,0,1|0,0,0]=1 16 B18R3.6822 CN1CCCCC2=C1N=C3CCCC3=C2N MCULE-9250189482 [0,0,0,0,0,1|0,0,0]=1 17 B15R2.54379 CNCC1=CC2=C(C=C1)N(CCC2)C MCULE-2246816327 [1,0,1,0,0,0|2,0,0]=4 18 B15R2.54379 CNCC1=CC2=C(C=C1)N(CCC2)C MCULE-3544539281 [1,0,1,0,0,0|2,0,0]=4 19 B15R2.54379 CNCC1=CC2=C(N=C1)N(CCO2)C MCULE-9124322023 [1,0,1,0,0,0|2,0,0]=4 20 B15R2.54379 CNCC1=CC=C2C(=C1)CCCN2C MCULE-6220237355 [1,0,1,0,0,0|2,0,0]=4 21 B17R3.1557 COC1CCC2=C(C3=C(C=C12)CCC3)N MCULE-9381403695 [0,1,0,0,1,0|2,0,0]=4 22 B19R3.7790768 CN1CCC2=NC3=C(CCCN3C)C(=C2C1)N MCULE-6992024344 [0,1,0,0,0,1|0,0,0]=2 23 B17R3.298885 NC1=C2CCCCCC2=NC3=C1CCC3 MCULE-3099676397 [0,0,1,1,0,0|1,0,0]=3 24 B17R3.4919 CC1=NC(=NC2=C1CCC2)N3CCCC3 MCULE-4447375624 [0,0,1,1,0,0|2,0,0]=4 25 B15R2.2412 CCC1=NC2=C(CCN2C)C(=C1C)N MCULE-1136048161 [0,0,1,0,1,0|0,0,0]=2 26 B15R3.3669 BrC1=C2CCCC2=CC3=C1CCC3 MCULE-4213898615 [1,0,0,0,1,0|2,0,0]=4 27 B15R3.3669 NC1=C2CCCC2=CC3=C1CCC3 MCULE-3347680417 [1,0,0,0,1,0|1,0,0]=3 28 B15R3.3669 NC1=C2CCCC2=NC3=C1CCC3 MCULE-1225794700 [1,0,0,0,1,0|0,0,0]=2 29 B15R3.3669 NC1=C2CCCC2=NC3=C1CCC3 MCULE-3374943441 [1,0,0,0,1,0|0,0,0]=2 30 B15R3.3669 OC1=C2CCCC2=CC3=C1CCC3 MCULE-3826053636 [1,0,0,0,1,0|2,0,0]=4 31 B17R2.71092 CCC1=NC2=C(CCCCN2C)C(=C1C)N MCULE-1600019504 [0,0,1,0,0,1|0,0,0]=2 32 B17R3.35227 NC1=C2CCCCC2=NC3=C1CCCC3 MCULE-4276411891 [1,0,0,0,0,1|1,0,0]=3 33 B17R3.35227 NC1=C2CCCCC2=NC3=C1CCCC3 MCULE-6066629719 [1,0,0,0,0,1|1,0,0]=3 34 B17R3.35227 O=C1C2=C(CCCC2)N=C3N1CCCN3 MCULE-8388143438 [1,0,0,0,0,1|2,0,0]=4 35 B19R3.9538 CN1CCCCC2=C(C3=C(CCCC3)N=C12)N MCULE-3498095137 [0,0,0,0,0,2|0,0,0]=2 36 B19R3.9538 CN1CCCCC2=C1N=C3CCCCC3=C2N MCULE-4377339783 [0,0,0,0,0,2|0,0,0]=2