0 B18R3.11 C1CN=C(N1)Cc2cccc3c2cccc3 1P00DECP [0,0,0,0,0,0|0,0,0]=0 1 B18R3.11 C1CN=C(N1)Cc2cccc3c2cccc3 1P00G2ON [0,0,0,0,0,0|0,0,0]=0 2 B18R3.11 C1CNC(C1)Cc2cccc3c2cccc3 1P01EJPA [0,0,0,0,0,0|1,0,1]=2 3 B19R3.83 CC1CNC(=Nc2cccc3c2nccc3)S1 1P01ABO2 [0,1,0,0,0,0|3,0,0]=4 4 B19R3.83 Nc1nnc(o1)Cc2cccc3c2cccc3 1P019V37 [0,1,0,0,0,0|2,0,1]=4 5 B19R3.5644 CC1(CCCN1)Cc2cccc3c2cccc3 1P01B786 [0,1,0,0,0,0|1,0,1]=3 6 B17R2.148072 NCCCCCc1cccc2c1cccc2 1P028T1P [0,0,1,0,0,0|1,0,1]=3 7 B17R2.148072 OCCCNCc1cccc2c1cccc2 1P00J1JR [0,0,1,0,0,0|3,0,0]=4 8 B17R2.322318 CCCC(=O)Oc1cccc2c1cccc2 1P003F09 [0,0,1,0,0,0|3,0,0]=4 9 B17R2.322318 CCOC(=O)Cc1cccc2c1cccc2 1P003QHP [0,0,1,0,0,0|2,0,0]=3 10 B17R2.322318 CCOC(=O)Cc1cccc2c1cccn2 1P01BE78 [0,0,1,0,0,0|3,0,0]=4 11 B17R2.322318 CCOC(=O)Nc1cccc2c1cccc2 1P01FEQA [0,0,1,0,0,0|3,0,0]=4 12 B17R3.2679 C1CCN(C1)c2cccc3c2cccc3 1P0056U5 [0,0,0,0,1,0|3,0,0]=4 13 B17R3.2679 C1CN=C(N1)c2nccc3c2cccc3 1P01J3X9 [0,0,0,0,1,0|1,0,0]=2 14 B17R3.2679 C1CNC(C1)c2cccc3c2cccc3 1P00813Z [0,0,0,0,1,0|1,0,1]=3 15 B17R3.2679 C1CNC(C1)c2cccc3c2cccc3 1P01F2W9 [0,0,0,0,1,0|1,0,1]=3 16 B17R3.2679 C1NCC(=C1)c2cccc3c2cccc3 1P01A4PS [0,0,0,0,1,0|3,0,0]=4 17 B17R3.2679 c1[nH]cc(n1)c2cccc3c2cccc3 1P028WYJ [0,0,0,0,1,0|2,0,1]=4 18 B17R3.2679 c1[nH]nc(c1)c2cccc3c2cccc3 1P001N2Y [0,0,0,0,1,0|2,0,1]=4 19 B17R3.2679 c1[nH]nc(c1)c2cccc3c2cccc3 1P00J2IY [0,0,0,0,1,0|2,0,1]=4 20 B17R3.2679 c1cnc([nH]1)c2cccc3c2nccc3 1P01B2WR [0,0,0,0,1,0|1,0,2]=4 21 B17R3.2679 n1nnc([nH]1)c2nccc3c2cccc3 1P028FRI [0,0,0,0,1,0|3,0,0]=4 22 B17R3.2681 C1CN=C(N1)Sc2c[nH]c3c2cccc3 1P01C3K1 [0,0,0,0,1,0|2,0,0]=3 23 B17R3.2681 n1nnc([nH]1)Cc2c[nH]c3c2cccc3 1P0289AI [0,0,0,0,1,0|3,0,0]=4 24 B19R3.28 C1CNC(CO1)Cc2cccc3c2cccc3 1P01JLZT [0,0,0,0,0,1|1,0,1]=3 25 B19R3.28 N1CCN(CC1)Cc2cccc3c2cccc3 1P00BZRQ [0,0,0,0,0,1|3,0,0]=4 26 B19R3.4444 C1CCC(C1)NCc2cccc3c2cccc3 1P01AATD [0,0,0,0,0,1|2,0,1]=4 27 B16R2.50359 NCCCNc1cccc2c1cccc2 1P027Z7Y [1,0,1,0,0,0|1,0,1]=4 28 B16R2.50359 NCCCOc1cccc2c1cccc2 1P019XEX [1,0,1,0,0,0|1,0,1]=4 29 B16R2.50359 NCCSCc1cccc2c1cccc2 1P019XFE [1,0,1,0,0,0|1,0,0]=3 30 B16R2.170412 CCC(=O)Oc1cccc2c1cccc2 1P003F0E [1,0,1,0,0,0|2,0,0]=4 31 B16R2.170412 CNC(=O)Oc1cccc2c1cccc2 1P00IBL5 [1,0,1,0,0,0|2,0,0]=4 32 B16R2.170412 CNC(=S)Nc1cccc2c1cccc2 1P019XE3 [1,0,1,0,0,0|2,0,0]=4 33 B16R2.170412 COC(=O)Cc1cccc2c1cccc2 1P002WVK [1,0,1,0,0,0|2,0,0]=4 34 B16R2.170412 NNC(=O)Cc1cccc2c1cccc2 1P00I7CE [1,0,1,0,0,0|2,0,0]=4 35 B16R2.170412 O=NN(Cc1cccc2c1cccc2)C 1P020MU7 [1,0,1,0,0,0|2,0,0]=4 36 B16R2.170412 ON=C(Cc1cccc2c1nccc2)N 1P01C50V [1,0,1,0,0,0|2,0,0]=4 37 B16R2.170412 ONC(=N)Cc1cccc2c1cccc2 1P019FA9 [1,0,1,0,0,0|1,0,0]=3 38 B16R2.170412 ONC(=O)Cc1cccc2c1cccc2 1P019X7N [1,0,1,0,0,0|2,0,0]=4 39 B18R2.556536 CC(CNNCc1cccc2c1cccc2)C 1P00HVZB [0,1,1,0,0,0|2,0,0]=4 40 B18R2.883208 NCCNC(=O)Cc1cccc2c1cccc2 1P00CA5U [0,1,1,0,0,0|0,0,1]=3 41 B18R2.124776 CCOC(=O)Cc1ccc(c2c1cccc2)N 1P00HJLZ [0,1,1,0,0,0|2,0,0]=4 42 B18R2.124786 CCOC(=O)Cc1cc(Cl)cc2c1cccc2 1P01AV86 [0,1,1,0,0,0|2,0,0]=4 43 B18R2.2462422 CCOC(=O)C(c1cccc2c1cccc2)N 1P01A87U [0,1,1,0,0,0|2,0,0]=4 44 B18R3.2910 Nc1nnc([nH]1)c2cccc3c2cccc3 1P019NBE [0,1,0,0,1,0|1,0,1]=4 45 B20R3.27706 Nn1c(nnc1S)Cc2cccc3c2cccc3 1P019HXT [0,2,0,0,0,0|1,0,1]=4 46 B18R3.36580 C1CNC(C1)Cc2ccc3c(c2)cccc3 1P004Y3P [0,0,1,1,0,0|1,0,1]=4 47 B18R3.36580 C1CNC(C1)Cc2ccc3c(c2)cccc3 1P01A8IK [0,0,1,1,0,0|1,0,1]=4 48 B18R3.2108 C1CNC(CN1)c2cccc3c2cccc3 1P00GSIL [0,0,1,1,0,0|0,0,2]=4 49 B18R3.2108 C1CNC(CS1)c2cccc3c2cccc3 1P00GVI9 [0,0,1,1,0,0|1,0,1]=4 50 B18R3.2108 C1COC(CN1)c2cccc3c2cccc3 1P01EIB2 [0,0,1,1,0,0|1,0,1]=4 51 B16R2.160202 CCOC(=O)c1cccc2c1cccc2 1P003QHQ [0,0,1,0,1,0|2,0,0]=4 52 B16R3.8 C1CN=C(N1)c2n[nH]c3c2cccc3 1P01A8TE [0,0,0,0,2,0|2,0,0]=4 53 B20R3.2720 C1CCC(CN1)NCc2cccc3c2cccc3 1P0289M8 [0,0,0,0,0,2|1,0,1]=4