Descriptors

Summary
Descriptor type Number

Acidic group count 1
ALOGP 3
APol 1
Aromatic atoms count 1
Aromatic bonds count 1
Atom count 14
Autocorrelation 346
Barysz matrix 91
Basic group count 1
BCUT 6
Bond count 10
BPol 1
Burden modified eigenvalues 96
Carbon types 9
Chi chain 10
Chi cluster 8
Chi path cluster 6
Chi path 32
Constitutional 12
Crippen logP and MR 2
Detour matrix 11
Eccentric connectivity index 1
Atom type electrotopological state 489
Extended topochemical atom 43
FMFDescriptor 1
Fragment complexity 1
Hbond acceptor count 4
Hbond donor count 2
Hybridization ratio 1
Information content 42
Kappa shape indices 3
Largest chain 1
Largest Pi system 1
Longest aliphatic chain 1
Mannhold LogP 1
McGowan volume 1
Molecular distance edge 19
Molecular linear free energy relation 6
Path counts 22
Petitjean number 1
Ring count 68
Rotatable bonds count 4
Rule of five 1
Topological 3
Topological charge 21
Topological distance matrix 11
Topological polar surface area 1
Van der Waals volume 1
Vertex adjacency information (magnitude) 1
Walk counts 20
Weight 2
Weighted path 5
Page 1
Summary
Wiener numbers 2
XLogP 1
Zagreb index 1
3D autocorrelation 80
Charged partial surface area 29
Gravitational index 9
Length over breadth 2
Moment of inertia 7
Petitjean shape index 3
RDF 210
WHIM 91
Page 2
Summary
Descriptor
nAcid
ALogP, ALogp2, AMR
apol
naAromAtom
nAromBond
nAtom, nHeavyAtom, nH, nB, nC, nN, nO, nS, nP, nF, nCl, nBr, nI, nX
ATS0m, ATS1m, ATS2m, ATS3m, ATS4m, ATS5m, ATS6m, ATS7m, ATS8m, ATS0v, ATS1v, ATS2v, ATS3v, ATS4v,
SpAbs_DzZ, SpMax_DzZ, SpDiam_DzZ, SpAD_DzZ, SpMAD_DzZ, EE_DzZ, SM1_DzZ, VE1_DzZ, VE2_DzZ, VE3_D
nBase
BCUTw-1l, BCUTw-1h, BCUTc-1l, BCUTc-1h, BCUTp-1l, BCUTp-1h
nBonds, nBonds2, nBondsS, nBondsS2, nBondsS3, nBondsD, nBondsD2, nBondsT, nBondsQ, nBondsM
bpol
SpMax1_Bhm, SpMax2_Bhm, SpMax3_Bhm, SpMax4_Bhm, SpMax5_Bhm, SpMax6_Bhm, SpMax7_Bhm, SpMax8_Bhm
C1SP1, C2SP1, C1SP2, C2SP2, C3SP2, C1SP3, C2SP3, C3SP3, C4SP3
SCH-3, SCH-4, SCH-5, SCH-6, SCH-7, VCH-3, VCH-4, VCH-5, VCH-6, VCH-7
SC-3, SC-4, SC-5, SC-6, VC-3, VC-4, VC-5, VC-6
SPC-4, SPC-5, SPC-6, VPC-4, VPC-5, VPC-6
SP-0, SP-1, SP-2, SP-3, SP-4, SP-5, SP-6, SP-7, ASP-0, ASP-1, ASP-2, ASP-3, ASP-4, ASP-5, ASP-6, ASP-7, VP-0
Sv, Sse, Spe, Sare, Sp, Si, Mv, Mse, Mpe, Mare, Mp, Mi
CrippenLogP, CrippenMR
SpMax_Dt, SpDiam_Dt, SpAD_Dt, SpMAD_Dt, EE_Dt, VE1_Dt, VE2_Dt, VE3_Dt, VR1_Dt, VR2_Dt, VR3_Dt
ECCEN
nHBd, nwHBd, nHBa, nwHBa, nHBint2, nHBint3, nHBint4, nHBint5, nHBint6, nHBint7, nHBint8, nHBint9, nH
ETA_Alpha, ETA_AlphaP, ETA_dAlpha_A, ETA_dAlpha_B, ETA_Epsilon_1, ETA_Epsilon_2, ETA_Epsilon_3, ETA
FMF
fragC
nHBAcc, nHBAcc2, nHBAcc3, nHBAcc_Lipinski
nHBDon, nHBDon_Lipinski
HybRatio
IC0, IC1, IC2, IC3, IC4, IC5, TIC0, TIC1, TIC2, TIC3, TIC4, TIC5, SIC0, SIC1, SIC2, SIC3, SIC4, SIC5, CIC0,
Kier1, Kier2, Kier3
nAtomLC
nAtomP
nAtomLAC
MLogP
McGowan_Volume
MDEC-11, MDEC-12, MDEC-13, MDEC-14, MDEC-22, MDEC-23, MDEC-24, MDEC-33, MDEC-34, MDEC-44, MDE
MLFER_A, MLFER_BH, MLFER_BO, MLFER_S, MLFER_E, MLFER_L
MPC2, MPC3, MPC4, MPC5, MPC6, MPC7, MPC8, MPC9, MPC10, TPC, piPC1, piPC2, piPC3, piPC4, piPC5, piPC6
PetitjeanNumber
nRing, n3Ring, n4Ring, n5Ring, n6Ring, n7Ring, n8Ring, n9Ring, n10Ring, n11Ring, n12Ring, nG12Ring, nFRin
nRotB, RotBFrac, nRotBt, RotBtFrac
LipinskiFailures
topoRadius, topoDiameter, topoShape
GGI1, GGI2, GGI3, GGI4, GGI5, GGI6, GGI7, GGI8, GGI9, GGI10, JGI1, JGI2, JGI3, JGI4, JGI5, JGI6, JGI7, JGI8,
SpMax_D, SpDiam_D, SpAD_D, SpMAD_D, EE_D, VE1_D, VE2_D, VE3_D, VR1_D, VR2_D, VR3_D
TopoPSA
VABC
vAdjMat
MWC2, MWC3, MWC4, MWC5, MWC6, MWC7, MWC8, MWC9, MWC10, TWC, SRW2, SRW3, SRW4, SRW5, SRW
MW, AMW
WTPT-1, WTPT-2, WTPT-3, WTPT-4, WTPT-5
Page 3
Summary
WPATH, WPOL
XLogP
Zagreb
TDB1u, TDB2u, TDB3u, TDB4u, TDB5u, TDB6u, TDB7u, TDB8u, TDB9u, TDB10u, TDB1m, TDB2m, TDB3m, TDB4m,
PPSA-1, PPSA-2, PPSA-3, PNSA-1, PNSA-2, PNSA-3, DPSA-1, DPSA-2, DPSA-3, FPSA-1, FPSA-2, FPSA-3,
GRAV-1, GRAV-2, GRAV-3, GRAVH-1, GRAVH-2, GRAVH-3, GRAV-4, GRAV-5, GRAV-6
LOBMAX, LOBMIN
MOMI-X, MOMI-Y, MOMI-Z, MOMI-XY, MOMI-XZ, MOMI-YZ, MOMI-R
geomRadius, geomDiameter, geomShape
RDF10u, RDF15u, RDF20u, RDF25u, RDF30u, RDF35u, RDF40u, RDF45u, RDF50u, RDF55u, RDF60u, RDF65u,
L1u, L2u, L3u, P1u, P2u, E1u, E2u, E3u, Tu, Au, Vu, Ku, Du, L1m, L2m, L3m, P1m, P2m, E1m, E2m, E3m, Tm, Am, Vm,
Page 4
Summary
Class Reference
2D
2D Ghose, A.K. and Crippen, G.M. , Atomic physicochemical parameters for three-dimensional structure-direct
2D
2D
2D
2D
2D Todeschini, R. and Consonni, V. (2009). Molecular descriptors for chemoinformatics, (Weinheim: Wiley VCH
2D
2D Pearlman, R.S. and Smith, K.M., Metric Validation and the Receptor-Relevant
2D Subspace Concept, J. Chem. Inf. Comput. Sci., 1999, 39:28-35;
2D Burden, F.R., Molecular identification number for substructure searches , J. Chem.
2D Inf. Comput.R.
Todeschini, Sci.,
and1989, 29:225-227;
Consonni, V. (2009). Molecular descriptors for chemoinformatics, (Weinheim: Wiley VCH
2D Burden, F.R., Chemically Intuitive Molecular Index, Quant. Struct .-Act. Relat., 1997,
16:309-314;
2D Kier,
Kang,L.Y.K.
B., and
and Hall,
Jhon,L.M.S.,
H. (1976). Molecular
Additivity connectivity
of Atomic in chemistryand
Static Polarizabilities andDispersion
drug research, (New York: Acade
2D Kier, L. B., and
Coefficients, Hall, L. H.Chimica
Theoretica (1976).Acta,
Molecular
1982,connectivity
61:41-48 in chemistry and drug research, (New York: Acade
2D Kier, L. B., and Hall, L. H. (1976). Molecular connectivity in chemistry and drug research, (New York: Acade
2D Kier, L. B., and Hall, L. H. (1976). Molecular connectivity in chemistry and drug research, (New York: Acade
2D
2D Wildman, S. A., and Crippen, G. M. (1999). Prediction of Physicochemical Parameters by Atomic Contributi
2D Sharma, V. and Goswami, R. and Madan, A.K. , Eccentric Connectivity Index: A Novel Highly Discriminating
2D Hall, L. H., and Kier, L. B. (1995). Electrotopological state indices for atom types: A novel combination of ele
2D Roy K & Ghosh G, QSTR with Extended Topochemical Atom Indices. 2. Fish Toxicity of Substituted Benzen
2D Yang, Y. and Chen, H. and Nilsson, I. and Muresan, S. and Engkvist, O., Investigation of the Relationship b
2D Nilakantan, R. and Nunn, D.S. and Greenblatt, L. and Walker, G. and Haraki, K. and Mobilio, D., A family of
2D
2D
2D
2D Hall, L. H., and Kier, L. B. (1991). The molecular connectivity chi indices and kappa shape indices in structu
2D
2D
2D
2D Mannhold, R. and Poda, G.I. and Ostermann, C. and Tetko, I.V., Calculation of molecular lipophilicity: State
2D Abraham MH, McGowan JC. The use of characteristic volumes to measure cavity terms in reversed phase
2D Liu, S. and Cao, C. and Li, Z. , Approach to Estimation and Prediction for Normal Boiling Point (NBP) of Alk
2D Platts JA, Butina D, Abraham MH, Hersey A. Estimation of molecular free energy relation descriptors using
2D
2D
2D
2D
2D
2D Ertl, P. and Rohde, B. and Selzer, P., Fast Calculation of Molecular Polar Surface Area as a Sum of Fragme
2D
2D
2D
2D Randic, M. , On molecular identification numbers , Journal of Chemical Information and Computer Science,
Page 5
Summary
2D Wiener, Harry, Structural Determination of Paraffin Boiling Points, Journal of the American Chemical Society
2D Wang, R., Fu, Y., and Lai, L., A New Atom-Additive Method for Calculating Partition Coefficients, Journal of
2D
3D Stanton, D.T. and Jurs, P.C. , Development and Use of Charged Partial Surface Area Structural Descriptors
3D Katritzky, A.R. and Mu, L. and Lobanov, V.S. and Karelson, M., Correlation of Boiling Points With Molecular
3D
3D
3D Petitjean, M. , Applications of the radius-diameter diagram to the classification of topological and geometric
3D Todeschini, R. and Gramatica, P., New 3D Molecular Descriptors: The WHIM theory and QSAR Applications
Page 6
Summary
three-dimensional structure-directed quantitative structure-activity relationships. I. Partition coefficients as a measure of hydrophobicity
informatics, (Weinheim: Wiley VCH) pg 27-37

d drug research, (New York: Academic Press).

al Parameters by Atomic Contributions. J Chem Inf Comput Sci 39, 868-873.

ndex: A Novel Highly Discriminating Topological Descriptor for Structure-Property and Structure-Activity Studies , Journal of Chemical In
m types: A novel combination of electronic, topological, and valence state information. J Chem Inf Comput Sci 35, 1039-1045;
Fish Toxicity of Substituted Benzenes. J. Chem. Inf. Comput. Sci., 44, 2004, 559-567. http://dx.doi.org/10.1021/ci0342066;
Investigation of the Relationship between Topology and Selectivity for Druglike Molecules, J. Med. Chem., 2010, 53: 7709-7714
raki, K. and Mobilio, D., A family of ring system-based structural fragments for use in structure-activity studies: database mining and rec
informatics, (Weinheim: Wiley VCH) pg 408-411.

and kappa shape indices in structure-property modeling. In Reviews of Computational Chemistry, K.B. Lipkowitz, and D.B. Boyd, eds. (
tion of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds, J.Pharm.Sci., 2009, 9
ure cavity terms in reversed phase liquid chromatography. Chromatographia. 1987;23:243-6.
r Normal Boiling Point (NBP) of Alkanes Based on a Novel Molecular Distance Edge (MDE) Vector, lambda, Journal of Chemical Informa
e energy relation descriptors using a group contribution approach. J Chem Inf Comput Sci. 1999;39(5):835-45.
informatics, (Weinheim: Wiley VCH) pg 574-579, pg 395-402

Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties, J. Med. Ch
informatics, (Weinheim: Wiley VCH) pg 875-882, pg 678-681
nformation and Computer Science, 1984, 24:164-175
Page 7
Summary
l of the American Chemical Society, 1947, 69:17-20
g Partition Coefficients, Journal of Chemical Information and Computer Sciences, 1997, 37:615-621;

Surface Area Structural Descriptors in Computer Assissted Quantitative Structure Property Relationship Studies, Analytical Chemistry, 19
on of Boiling Points With Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics, J. Phys.
cation of topological and geometrical shapes of chemical compounds, Journal of Chemical Information and Computer Science, 1992, 32
HIM theory and QSAR Applications, Perspectives in Drug Discovery and Design, 1998, ?:355-380
Page 8
Summary
s as a measure of hydrophobicity, Journal of Computational Chemistry, 1986, 7:565-577;
y Studies , Journal of Chemical Information and Computer Sciences, 1997, 37:273-282

mput Sci 35, 1039-1045;
/10.1021/ci0342066;
hem., 2010, 53: 7709-7714
studies: database mining and recursive partitioning., Journal of chemical information and modeling, 2006, 46:1069-1077
. Lipkowitz, and D.B. Boyd, eds. (New York: VCH publishers), pp. 367-412.
compounds, J.Pharm.Sci., 2009, 98:861-893
mbda, Journal of Chemical Information and Computer Sciences, 1998, 38:387-394
g Transport Properties, J. Med. Chem., 2000, 43:3714-3717
Page 9
Summary
p Studies, Analytical Chemistry, 1990, 62:2323-2329

t of 9 Simple Inorganics, J. Phys. Chem., 1996, 100:10400-10407;
and Computer Science, 1992, 32:331-337;
Page 10
Summary
006, 46:1069-1077
Page 11
Detailed
Descriptor Java Class Descriptor
AcidicGroupCountDescriptor nAcid
ALOGPDescriptor ALogP
ALogP2
AMR
APolDescriptor apol
AromaticAtomsCountDescriptor naAromAtom
AromaticBondsCountDescriptor nAromBond
AtomCountDescriptor nAtom
nHeavyAtom
nH
nB
nC
nN
nO
nS
nP
nF
nCl
nBr
nI
nX
AutocorrelationDescriptor ATS0m
ATS1m
ATS2m
ATS3m
ATS4m
ATS5m
ATS6m
ATS7m
ATS8m
ATS0v
ATS1v
ATS2v
ATS3v
ATS4v
ATS5v
ATS6v
ATS7v
ATS8v
ATS0e
ATS1e
ATS2e
ATS3e
ATS4e
ATS5e
ATS6e
ATS7e
ATS8e
ATS0p
ATS1p
ATS2p
ATS3p
Page 12
Detailed
ATS4p
ATS5p
ATS6p
ATS7p
ATS8p
ATS0i
ATS1i
ATS2i
ATS3i
ATS4i
ATS5i
ATS6i
ATS7i
ATS8i
ATS0s
ATS1s
ATS2s
ATS3s
ATS4s
ATS5s
ATS6s
ATS7s
ATS8s
AATS0m
AATS1m
AATS2m
AATS3m
AATS4m
AATS5m
AATS6m
AATS7m
AATS8m
AATS0v
AATS1v
AATS2v
AATS3v
AATS4v
AATS5v
AATS6v
AATS7v
AATS8v
AATS0e
AATS1e
AATS2e
AATS3e
AATS4e
AATS5e
AATS6e
AATS7e
AATS8e
AATS0p
AATS1p
AATS2p
Page 13
Detailed
AATS3p
AATS4p
AATS5p
AATS6p
AATS7p
AATS8p
AATS0i
AATS1i
AATS2i
AATS3i
AATS4i
AATS5i
AATS6i
AATS7i
AATS8i
AATS0s
AATS1s
AATS2s
AATS3s
AATS4s
AATS5s
AATS6s
AATS7s
AATS8s
ATSC0c
ATSC1c
ATSC2c
ATSC3c
ATSC4c
ATSC5c
ATSC6c
ATSC7c
ATSC8c
ATSC0m
ATSC1m
ATSC2m
ATSC3m
ATSC4m
ATSC5m
ATSC6m
ATSC7m
ATSC8m
ATSC0v
ATSC1v
ATSC2v
ATSC3v
ATSC4v
ATSC5v
ATSC6v
ATSC7v
ATSC8v
ATSC0e
ATSC1e
Page 14
Detailed
ATSC2e
ATSC3e
ATSC4e
ATSC5e
ATSC6e
ATSC7e
ATSC8e
ATSC0p
ATSC1p
ATSC2p
ATSC3p
ATSC4p
ATSC5p
ATSC6p
ATSC7p
ATSC8p
ATSC0i
ATSC1i
ATSC2i
ATSC3i
ATSC4i
ATSC5i
ATSC6i
ATSC7i
ATSC8i
ATSC0s
ATSC1s
ATSC2s
ATSC3s
ATSC4s
ATSC5s
ATSC6s
ATSC7s
ATSC8s
AATSC0c
AATSC1c
AATSC2c
AATSC3c
AATSC4c
AATSC5c
AATSC6c
AATSC7c
AATSC8c
AATSC0m
AATSC1m
AATSC2m
AATSC3m
AATSC4m
AATSC5m
AATSC6m
AATSC7m
AATSC8m
AATSC0v
Page 15
Detailed
AATSC1v
AATSC2v
AATSC3v
AATSC4v
AATSC5v
AATSC6v
AATSC7v
AATSC8v
AATSC0e
AATSC1e
AATSC2e
AATSC3e
AATSC4e
AATSC5e
AATSC6e
AATSC7e
AATSC8e
AATSC0p
AATSC1p
AATSC2p
AATSC3p
AATSC4p
AATSC5p
AATSC6p
AATSC7p
AATSC8p
AATSC0i
AATSC1i
AATSC2i
AATSC3i
AATSC4i
AATSC5i
AATSC6i
AATSC7i
AATSC8i
AATSC0s
AATSC1s
AATSC2s
AATSC3s
AATSC4s
AATSC5s
AATSC6s
AATSC7s
AATSC8s
MATS1c
MATS2c
MATS3c
MATS4c
MATS5c
MATS6c
MATS7c
MATS8c
MATS1m
Page 16
Detailed
MATS2m
MATS3m
MATS4m
MATS5m
MATS6m
MATS7m
MATS8m
MATS1v
MATS2v
MATS3v
MATS4v
MATS5v
MATS6v
MATS7v
MATS8v
MATS1e
MATS2e
MATS3e
MATS4e
MATS5e
MATS6e
MATS7e
MATS8e
MATS1p
MATS2p
MATS3p
MATS4p
MATS5p
MATS6p
MATS7p
MATS8p
MATS1i
MATS2i
MATS3i
MATS4i
MATS5i
MATS6i
MATS7i
MATS8i
MATS1s
MATS2s
MATS3s
MATS4s
MATS5s
MATS6s
MATS7s
MATS8s
GATS1c
GATS2c
GATS3c
GATS4c
GATS5c
GATS6c
Page 17
Detailed
GATS7c
GATS8c
GATS1m
GATS2m
GATS3m
GATS4m
GATS5m
GATS6m
GATS7m
GATS8m
GATS1v
GATS2v
GATS3v
GATS4v
GATS5v
GATS6v
GATS7v
GATS8v
GATS1e
GATS2e
GATS3e
GATS4e
GATS5e
GATS6e
GATS7e
GATS8e
GATS1p
GATS2p
GATS3p
GATS4p
GATS5p
GATS6p
GATS7p
GATS8p
GATS1i
GATS2i
GATS3i
GATS4i
GATS5i
GATS6i
GATS7i
GATS8i
GATS1s
GATS2s
GATS3s
GATS4s
GATS5s
GATS6s
GATS7s
GATS8s
BaryszMatrixDescriptor SpAbs_DzZ
SpMax_DzZ
SpDiam_DzZ
Page 18
Detailed
SpAD_DzZ
SpMAD_DzZ
EE_DzZ
SM1_DzZ
VE1_DzZ
VE2_DzZ
VE3_DzZ
VR1_DzZ
VR2_DzZ
VR3_DzZ
SpAbs_Dzm
SpMax_Dzm
SpDiam_Dzm
SpAD_Dzm
SpMAD_Dzm
EE_Dzm
SM1_Dzm
VE1_Dzm
VE2_Dzm
VE3_Dzm
VR1_Dzm
VR2_Dzm
VR3_Dzm
SpAbs_Dzv
SpMax_Dzv
SpDiam_Dzv
SpAD_Dzv
SpMAD_Dzv
EE_Dzv
SM1_Dzv
VE1_Dzv
VE2_Dzv
VE3_Dzv
VR1_Dzv
VR2_Dzv
VR3_Dzv
SpAbs_Dze
SpMax_Dze
SpDiam_Dze
SpAD_Dze
SpMAD_Dze
EE_Dze
SM1_Dze
VE1_Dze
VE2_Dze
VE3_Dze
VR1_Dze
VR2_Dze
VR3_Dze
SpAbs_Dzp
SpMax_Dzp
SpDiam_Dzp
SpAD_Dzp
Page 19
Detailed
SpMAD_Dzp
EE_Dzp
SM1_Dzp
VE1_Dzp
VE2_Dzp
VE3_Dzp
VR1_Dzp
VR2_Dzp
VR3_Dzp
SpAbs_Dzi
SpMax_Dzi
SpDiam_Dzi
SpAD_Dzi
SpMAD_Dzi
EE_Dzi
SM1_Dzi
VE1_Dzi
VE2_Dzi
VE3_Dzi
VR1_Dzi
VR2_Dzi
VR3_Dzi
SpAbs_Dzs
SpMax_Dzs
SpDiam_Dzs
SpAD_Dzs
SpMAD_Dzs
EE_Dzs
SM1_Dzs
VE1_Dzs
VE2_Dzs
VE3_Dzs
VR1_Dzs
VR2_Dzs
VR3_Dzs
BasicGroupCountDescriptor nBase
BCUTDescriptor BCUTw-1l
BCUTw-1h
BCUTc-1l
BCUTc-1h
BCUTp-1l
BCUTp-1h
PaDELBondCountDescriptor nBonds
nBonds2
nBondsS
nBondsS2
nBondsS3
nBondsD
nBondsD2
nBondsT
nBondsQ
nBondsM
BPolDescriptor bpol
Page 20
Detailed
BurdenModifiedEigenvaluesDescriptor SpMax1_Bhm
SpMax2_Bhm
SpMax3_Bhm
SpMax4_Bhm
SpMax5_Bhm
SpMax6_Bhm
SpMax7_Bhm
SpMax8_Bhm
SpMin1_Bhm
SpMin2_Bhm
SpMin3_Bhm
SpMin4_Bhm
SpMin5_Bhm
SpMin6_Bhm
SpMin7_Bhm
SpMin8_Bhm
SpMax1_Bhv
SpMax2_Bhv
SpMax3_Bhv
SpMax4_Bhv
SpMax5_Bhv
SpMax6_Bhv
SpMax7_Bhv
SpMax8_Bhv
SpMin1_Bhv
SpMin2_Bhv
SpMin3_Bhv
SpMin4_Bhv
SpMin5_Bhv
SpMin6_Bhv
SpMin7_Bhv
SpMin8_Bhv
SpMax1_Bhe
SpMax2_Bhe
SpMax3_Bhe
SpMax4_Bhe
SpMax5_Bhe
SpMax6_Bhe
SpMax7_Bhe
SpMax8_Bhe
SpMin1_Bhe
SpMin2_Bhe
SpMin3_Bhe
SpMin4_Bhe
SpMin5_Bhe
SpMin6_Bhe
SpMin7_Bhe
SpMin8_Bhe
SpMax1_Bhp
SpMax2_Bhp
SpMax3_Bhp
SpMax4_Bhp
SpMax5_Bhp
Page 21
Detailed
SpMax6_Bhp
SpMax7_Bhp
SpMax8_Bhp
SpMin1_Bhp
SpMin2_Bhp
SpMin3_Bhp
SpMin4_Bhp
SpMin5_Bhp
SpMin6_Bhp
SpMin7_Bhp
SpMin8_Bhp
SpMax1_Bhi
SpMax2_Bhi
SpMax3_Bhi
SpMax4_Bhi
SpMax5_Bhi
SpMax6_Bhi
SpMax7_Bhi
SpMax8_Bhi
SpMin1_Bhi
SpMin2_Bhi
SpMin3_Bhi
SpMin4_Bhi
SpMin5_Bhi
SpMin6_Bhi
SpMin7_Bhi
SpMin8_Bhi
SpMax1_Bhs
SpMax2_Bhs
SpMax3_Bhs
SpMax4_Bhs
SpMax5_Bhs
SpMax6_Bhs
SpMax7_Bhs
SpMax8_Bhs
SpMin1_Bhs
SpMin2_Bhs
SpMin3_Bhs
SpMin4_Bhs
SpMin5_Bhs
SpMin6_Bhs
SpMin7_Bhs
SpMin8_Bhs
PaDELCarbonTypesDescriptor C1SP1
C2SP1
C1SP2
C2SP2
C3SP2
C1SP3
C2SP3
C3SP3
C4SP3
ChiChainDescriptor SCH-3
Page 22
Detailed
SCH-4
SCH-5
SCH-6
SCH-7
VCH-3
VCH-4
VCH-5
VCH-6
VCH-7
ChiClusterDescriptor SC-3
SC-4
SC-5
SC-6
VC-3
VC-4
VC-5
VC-6
ChiPathClusterDescriptor SPC-4
SPC-5
SPC-6
VPC-4
VPC-5
VPC-6
PaDELChiPathDescriptor SP-0
SP-1
SP-2
SP-3
SP-4
SP-5
SP-6
SP-7
ASP-0
ASP-1
ASP-2
ASP-3
ASP-4
ASP-5
ASP-6
ASP-7
VP-0
VP-1
VP-2
VP-3
VP-4
VP-5
VP-6
VP-7
AVP-0
AVP-1
AVP-2
AVP-3
AVP-4
AVP-5
Page 23
Detailed
AVP-6
AVP-7
ConstitutionalDescriptor Sv
Sse
Spe
Sare
Sp
Si
Mv
Mse
Mpe
Mare
Mp
Mi
CrippenDescriptor CrippenLogP
CrippenMR
DetourMatrixDescriptor SpMax_Dt
SpDiam_Dt
SpAD_Dt
SpMAD_Dt
EE_Dt
VE1_Dt
VE2_Dt
VE3_Dt
VR1_Dt
VR2_Dt
VR3_Dt
EccentricConnectivityIndexDescriptor ECCEN
ElectrotopologicalStateAtomTypeDescriptor nHBd
nwHBd
nHBa
nwHBa
nHBint2
nHBint3
nHBint4
nHBint5
nHBint6
nHBint7
nHBint8
nHBint9
nHBint10
nHsOH
nHdNH
nHsSH
nHsNH2
nHssNH
nHaaNH
nHsNH3p
nHssNH2p
nHsssNHp
nHtCH
nHdCH2
nHdsCH
Page 24
Detailed
nHaaCH
nHCHnX
nHCsats
nHCsatu
nHAvin
nHother
nHmisc
nsLi
nssBe
nssssBem
nsBH2
nssBH
nsssB
nssssBm
nsCH3
ndCH2
nssCH2
ntCH
ndsCH
naaCH
nsssCH
nddC
ntsC
ndssC
naasC
naaaC
nssssC
nsNH3p
nsNH2
nssNH2p
ndNH
nssNH
naaNH
ntN
nsssNHp
ndsN
naaN
nsssN
nddsN
naasN
nssssNp
nsOH
ndO
nssO
naaO
naOm
nsOm
nsF
nsSiH3
nssSiH2
nsssSiH
nssssSi
nsPH2
Page 25
Detailed
nssPH
nsssP
ndsssP
nddsP
nsssssP
nsSH
ndS
nssS
naaS
ndssS
nddssS
nssssssS
nSm
nsCl
nsGeH3
nssGeH2
nsssGeH
nssssGe
nsAsH2
nssAsH
nsssAs
ndsssAs
nddsAs
nsssssAs
nsSeH
ndSe
nssSe
naaSe
ndssSe
nssssssSe
nddssSe
nsBr
nsSnH3
nssSnH2
nsssSnH
nssssSn
nsI
nsPbH3
nssPbH2
nsssPbH
nssssPb
SHBd
SwHBd
SHBa
SwHBa
SHBint2
SHBint3
SHBint4
SHBint5
SHBint6
SHBint7
SHBint8
SHBint9
Page 26
Detailed
SHBint10
SHsOH
SHdNH
SHsSH
SHsNH2
SHssNH
SHaaNH
SHsNH3p
SHssNH2p
SHsssNHp
SHtCH
SHdCH2
SHdsCH
SHaaCH
SHCHnX
SHCsats
SHCsatu
SHAvin
SHother
SHmisc
SsLi
SssBe
SssssBem
SsBH2
SssBH
SsssB
SssssBm
SsCH3
SdCH2
SssCH2
StCH
SdsCH
SaaCH
SsssCH
SddC
StsC
SdssC
SaasC
SaaaC
SssssC
SsNH3p
SsNH2
SssNH2p
SdNH
SssNH
SaaNH
StN
SsssNHp
SdsN
SaaN
SsssN
SddsN
SaasN
Page 27
Detailed
SssssNp
SsOH
SdO
SssO
SaaO
SaOm
SsOm
SsF
SsSiH3
SssSiH2
SsssSiH
SssssSi
SsPH2
SssPH
SsssP
SdsssP
SddsP
SsssssP
SsSH
SdS
SssS
SaaS
SdssS
SddssS
SssssssS
SSm
SsCl
SsGeH3
SssGeH2
SsssGeH
SssssGe
SsAsH2
SssAsH
SsssAs
SdsssAs
SddsAs
SsssssAs
SsSeH
SdSe
SssSe
SaaSe
SdssSe
SssssssSe
SddssSe
SsBr
SsSnH3
SssSnH2
SsssSnH
SssssSn
SsI
SsPbH3
SssPbH2
SsssPbH
Page 28
Detailed
SssssPb
minHBd
minwHBd
minHBa
minwHBa
minHBint2
minHBint3
minHBint4
minHBint5
minHBint6
minHBint7
minHBint8
minHBint9
minHBint10
minHsOH
minHdNH
minHsSH
minHsNH2
minHssNH
minHaaNH
minHsNH3p
minHssNH2p
minHsssNHp
minHtCH
minHdCH2
minHdsCH
minHaaCH
minHCHnX
minHCsats
minHCsatu
minHAvin
minHother
minHmisc
minsLi
minssBe
minssssBem
minsBH2
minssBH
minsssB
minssssBm
minsCH3
mindCH2
minssCH2
mintCH
mindsCH
minaaCH
minsssCH
minddC
mintsC
mindssC
minaasC
minaaaC
minssssC
Page 29
Detailed
minsNH3p
minsNH2
minssNH2p
mindNH
minssNH
minaaNH
mintN
minsssNHp
mindsN
minaaN
minsssN
minddsN
minaasN
minssssNp
minsOH
mindO
minssO
minaaO
minaOm
minsOm
minsF
minsSiH3
minssSiH2
minsssSiH
minssssSi
minsPH2
minssPH
minsssP
mindsssP
minddsP
minsssssP
minsSH
mindS
minssS
minaaS
mindssS
minddssS
minssssssS
minSm
minsCl
minsGeH3
minssGeH2
minsssGeH
minssssGe
minsAsH2
minssAsH
minsssAs
mindsssAs
minddsAs
minsssssAs
minsSeH
mindSe
minssSe
Page 30
Detailed
minaaSe
mindssSe
minssssssSe
minddssSe
minsBr
minsSnH3
minssSnH2
minsssSnH
minssssSn
minsI
minsPbH3
minssPbH2
minsssPbH
minssssPb
maxHBd
maxwHBd
maxHBa
maxwHBa
maxHBint2
maxHBint3
maxHBint4
maxHBint5
maxHBint6
maxHBint7
maxHBint8
maxHBint9
maxHBint10
maxHsOH
maxHdNH
maxHsSH
maxHsNH2
maxHssNH
maxHaaNH
maxHsNH3p
maxHssNH2p
maxHsssNHp
maxHtCH
maxHdCH2
maxHdsCH
maxHaaCH
maxHCHnX
maxHCsats
maxHCsatu
maxHAvin
maxHother
maxHmisc
maxsLi
maxssBe
maxssssBem
maxsBH2
maxssBH
maxsssB
maxssssBm
Page 31
Detailed
maxsCH3
maxdCH2
maxssCH2
maxtCH
maxdsCH
maxaaCH
maxsssCH
maxddC
maxtsC
maxdssC
maxaasC
maxaaaC
maxssssC
maxsNH3p
maxsNH2
maxssNH2p
maxdNH
maxssNH
maxaaNH
maxtN
maxsssNHp
maxdsN
maxaaN
maxsssN
maxddsN
maxaasN
maxssssNp
maxsOH
maxdO
maxssO
maxaaO
maxaOm
maxsOm
maxsF
maxsSiH3
maxssSiH2
maxsssSiH
maxssssSi
maxsPH2
maxssPH
maxsssP
maxdsssP
maxddsP
maxsssssP
maxsSH
maxdS
maxssS
maxaaS
maxdssS
maxddssS
maxssssssS
maxSm
maxsCl
Page 32
Detailed
maxsGeH3
maxssGeH2
maxsssGeH
maxssssGe
maxsAsH2
maxssAsH
maxsssAs
maxdsssAs
maxddsAs
maxsssssAs
maxsSeH
maxdSe
maxssSe
maxaaSe
maxdssSe
maxssssssSe
maxddssSe
maxsBr
maxsSnH3
maxssSnH2
maxsssSnH
maxssssSn
maxsI
maxsPbH3
maxssPbH2
maxsssPbH
maxssssPb
sumI
meanI
hmax
gmax
hmin
gmin
LipoaffinityIndex
MAXDN
MAXDP
DELS
MAXDN2
MAXDP2
DELS2
ExtendedTopochemicalAtomDescriptor ETA_Alpha
ETA_AlphaP
ETA_dAlpha_A
ETA_dAlpha_B
ETA_Epsilon_1
ETA_Epsilon_2
ETA_Epsilon_3
ETA_Epsilon_4
ETA_Epsilon_5
ETA_dEpsilon_A
ETA_dEpsilon_B
ETA_dEpsilon_C
ETA_dEpsilon_D
Page 33
Detailed
ETA_Psi_1
ETA_dPsi_A
ETA_dPsi_B
ETA_Shape_P
ETA_Shape_Y
ETA_Shape_X
ETA_Beta
ETA_BetaP
ETA_Beta_s
ETA_BetaP_s
ETA_Beta_ns
ETA_BetaP_ns
ETA_dBeta
ETA_dBetaP
ETA_Beta_ns_d
ETA_BetaP_ns_d
ETA_Eta
ETA_EtaP
ETA_Eta_R
ETA_Eta_F
ETA_EtaP_F
ETA_Eta_L
ETA_EtaP_L
ETA_Eta_R_L
ETA_Eta_F_L
ETA_EtaP_F_L
ETA_Eta_B
ETA_EtaP_B
ETA_Eta_B_RC
ETA_EtaP_B_RC
FMFDescriptor FMF
PaDELFragmentComplexityDescriptor fragC
PaDELHBondAcceptorCountDescriptor nHBAcc
nHBAcc2
nHBAcc3
nHBAcc_Lipinski
PaDELHBondDonorCountDescriptor nHBDon
nHBDon_Lipinski
HybridizationRatioDescriptor HybRatio
InformationContentDescriptor IC0
IC1
IC2
IC3
IC4
IC5
TIC0
TIC1
TIC2
TIC3
TIC4
TIC5
SIC0
SIC1
Page 34
Detailed
SIC2
SIC3
SIC4
SIC5
CIC0
CIC1
CIC2
CIC3
CIC4
CIC5
BIC0
BIC1
BIC2
BIC3
BIC4
BIC5
MIC0
MIC1
MIC2
MIC3
MIC4
MIC5
ZMIC0
ZMIC1
ZMIC2
ZMIC3
ZMIC4
ZMIC5
KappaShapeIndicesDescriptor Kier1
Kier2
Kier3
LargestChainDescriptor nAtomLC
LargestPiSystemDescriptor nAtomP
LongestAliphaticChainDescriptor nAtomLAC
MannholdLogPDescriptor MLogP
McGowanVolumeDescriptor McGowan_Volume
MDEDescriptor MDEC-11
MDEC-12
MDEC-13
MDEC-14
MDEC-22
MDEC-23
MDEC-24
MDEC-33
MDEC-34
MDEC-44
MDEO-11
MDEO-12
MDEO-22
MDEN-11
MDEN-12
MDEN-13
MDEN-22
Page 35
Detailed
MDEN-23
MDEN-33
MLFERDescriptor MLFER_A
MLFER_BH
MLFER_BO
MLFER_S
MLFER_E
MLFER_L
PathCountDescriptor MPC2
MPC3
MPC4
MPC5
MPC6
MPC7
MPC8
MPC9
MPC10
TPC
piPC1
piPC2
piPC3
piPC4
piPC5
piPC6
piPC7
piPC8
piPC9
piPC10
TpiPC
R_TpiPCTPC
PetitjeanNumberDescriptor PetitjeanNumber
RingCountDescriptor nRing
n3Ring
n4Ring
n5Ring
n6Ring
n7Ring
n8Ring
n9Ring
n10Ring
n11Ring
n12Ring
nG12Ring
nFRing
nF4Ring
nF5Ring
nF6Ring
nF7Ring
nF8Ring
nF9Ring
nF10Ring
nF11Ring
nF12Ring
Page 36
Detailed
nFG12Ring
nTRing
nT4Ring
nT5Ring
nT6Ring
nT7Ring
nT8Ring
nT9Ring
nT10Ring
nT11Ring
nT12Ring
nTG12Ring
nHeteroRing
n3HeteroRing
n4HeteroRing
n5HeteroRing
n6HeteroRing
n7HeteroRing
n8HeteroRing
n9HeteroRing
n10HeteroRing
n11HeteroRing
n12HeteroRing
nG12HeteroRing
nFHeteroRing
nF4HeteroRing
nF5HeteroRing
nF6HeteroRing
nF7HeteroRing
nF8HeteroRing
nF9HeteroRing
nF10HeteroRing
nF11HeteroRing
nF12HeteroRing
nFG12HeteroRing
nTHeteroRing
nT4HeteroRing
nT5HeteroRing
nT6HeteroRing
nT7HeteroRing
nT8HeteroRing
nT9HeteroRing
nT10HeteroRing
nT11HeteroRing
nT12HeteroRing
nTG12HeteroRing
PaDELRotatableBondsCountDescriptor nRotB
RotBFrac
nRotBt
RotBtFrac
RuleOfFiveDescriptor LipinskiFailures
TopologicalDescriptor topoRadius
topoDiameter
Page 37
Detailed
topoShape
TopologicalChargeDescriptor GGI1
GGI2
GGI3
GGI4
GGI5
GGI6
GGI7
GGI8
GGI9
GGI10
JGI1
JGI2
JGI3
JGI4
JGI5
JGI6
JGI7
JGI8
JGI9
JGI10
JGT
TopologicalDistanceMatrixDescriptor SpMax_D
SpDiam_D
SpAD_D
SpMAD_D
EE_D
VE1_D
VE2_D
VE3_D
VR1_D
VR2_D
VR3_D
TPSADescriptor TopoPSA
VABCDescriptor VABC
VAdjMaDescriptor vAdjMat
WalkCountDescriptor MWC2
MWC3
MWC4
MWC5
MWC6
MWC7
MWC8
MWC9
MWC10
TWC
SRW2
SRW3
SRW4
SRW5
SRW6
SRW7
SRW8
Page 38
Detailed
SRW9
SRW10
TSRW
PaDELWeightDescriptor MW
AMW
PaDELWeightedPathDescriptor WTPT-1
WTPT-2
WTPT-3
WTPT-4
WTPT-5
WienerNumbersDescriptor WPATH
WPOL
XLogPDescriptor XLogP
ZagrebIndexDescriptor Zagreb
Autocorrelation3DDescriptor TDB1u
TDB2u
TDB3u
TDB4u
TDB5u
TDB6u
TDB7u
TDB8u
TDB9u
TDB10u
TDB1m
TDB2m
TDB3m
TDB4m
TDB5m
TDB6m
TDB7m
TDB8m
TDB9m
TDB10m
TDB1v
TDB2v
TDB3v
TDB4v
TDB5v
TDB6v
TDB7v
TDB8v
TDB9v
TDB10v
TDB1e
TDB2e
TDB3e
TDB4e
TDB5e
TDB6e
TDB7e
TDB8e
TDB9e
Page 39
Detailed
TDB10e
TDB1p
TDB2p
TDB3p
TDB4p
TDB5p
TDB6p
TDB7p
TDB8p
TDB9p
TDB10p
TDB1i
TDB2i
TDB3i
TDB4i
TDB5i
TDB6i
TDB7i
TDB8i
TDB9i
TDB10i
TDB1s
TDB2s
TDB3s
TDB4s
TDB5s
TDB6s
TDB7s
TDB8s
TDB9s
TDB10s
TDB1r
TDB2r
TDB3r
TDB4r
TDB5r
TDB6r
TDB7r
TDB8r
TDB9r
TDB10r
CPSADescriptor PPSA-1
PPSA-2
PPSA-3
PNSA-1
PNSA-2
PNSA-3
DPSA-1
DPSA-2
DPSA-3
FPSA-1
FPSA-2
FPSA-3
Page 40
Detailed
FNSA-1
FNSA-2
FNSA-3
WPSA-1
WPSA-2
WPSA-3
WNSA-1
WNSA-2
WNSA-3
RPCG
RNCG
RPCS
RNCS
THSA
TPSA
RHSA
RPSA
GravitationalIndexDescriptor GRAV-1
GRAV-2
GRAV-3
GRAVH-1
GRAVH-2
GRAVH-3
GRAV-4
GRAV-5
GRAV-6
LengthOverBreadthDescriptor LOBMAX
LOBMIN
MomentOfInertiaDescriptor MOMI-X
MOMI-Y
MOMI-Z
MOMI-XY
MOMI-XZ
MOMI-YZ
MOMI-R
PaDELPetitjeanShapeIndexDescriptor geomRadius
geomDiameter
geomShape
RDFDescriptor RDF10u
RDF15u
RDF20u
RDF25u
RDF30u
RDF35u
RDF40u
RDF45u
RDF50u
RDF55u
RDF60u
RDF65u
RDF70u
RDF75u
RDF80u
Page 41
Detailed
RDF85u
RDF90u
RDF95u
RDF100u
RDF105u
RDF110u
RDF115u
RDF120u
RDF125u
RDF130u
RDF135u
RDF140u
RDF145u
RDF150u
RDF155u
RDF10m
RDF15m
RDF20m
RDF25m
RDF30m
RDF35m
RDF40m
RDF45m
RDF50m
RDF55m
RDF60m
RDF65m
RDF70m
RDF75m
RDF80m
RDF85m
RDF90m
RDF95m
RDF100m
RDF105m
RDF110m
RDF115m
RDF120m
RDF125m
RDF130m
RDF135m
RDF140m
RDF145m
RDF150m
RDF155m
RDF10v
RDF15v
RDF20v
RDF25v
RDF30v
RDF35v
RDF40v
RDF45v
Page 42
Detailed
RDF50v
RDF55v
RDF60v
RDF65v
RDF70v
RDF75v
RDF80v
RDF85v
RDF90v
RDF95v
RDF100v
RDF105v
RDF110v
RDF115v
RDF120v
RDF125v
RDF130v
RDF135v
RDF140v
RDF145v
RDF150v
RDF155v
RDF10e
RDF15e
RDF20e
RDF25e
RDF30e
RDF35e
RDF40e
RDF45e
RDF50e
RDF55e
RDF60e
RDF65e
RDF70e
RDF75e
RDF80e
RDF85e
RDF90e
RDF95e
RDF100e
RDF105e
RDF110e
RDF115e
RDF120e
RDF125e
RDF130e
RDF135e
RDF140e
RDF145e
RDF150e
RDF155e
RDF10p
Page 43
Detailed
RDF15p
RDF20p
RDF25p
RDF30p
RDF35p
RDF40p
RDF45p
RDF50p
RDF55p
RDF60p
RDF65p
RDF70p
RDF75p
RDF80p
RDF85p
RDF90p
RDF95p
RDF100p
RDF105p
RDF110p
RDF115p
RDF120p
RDF125p
RDF130p
RDF135p
RDF140p
RDF145p
RDF150p
RDF155p
RDF10i
RDF15i
RDF20i
RDF25i
RDF30i
RDF35i
RDF40i
RDF45i
RDF50i
RDF55i
RDF60i
RDF65i
RDF70i
RDF75i
RDF80i
RDF85i
RDF90i
RDF95i
RDF100i
RDF105i
RDF110i
RDF115i
RDF120i
RDF125i
Page 44
Detailed
RDF130i
RDF135i
RDF140i
RDF145i
RDF150i
RDF155i
RDF10s
RDF15s
RDF20s
RDF25s
RDF30s
RDF35s
RDF40s
RDF45s
RDF50s
RDF55s
RDF60s
RDF65s
RDF70s
RDF75s
RDF80s
RDF85s
RDF90s
RDF95s
RDF100s
RDF105s
RDF110s
RDF115s
RDF120s
RDF125s
RDF130s
RDF135s
RDF140s
RDF145s
RDF150s
RDF155s
PaDELWHIMDescriptor L1u
L2u
L3u
P1u
P2u
E1u
E2u
E3u
Tu
Au
Vu
Ku
Du
L1m
L2m
L3m
P1m
Page 45
Detailed
P2m
E1m
E2m
E3m
Tm
Am
Vm
Km
Dm
L1v
L2v
L3v
P1v
P2v
E1v
E2v
E3v
Tv
Av
Vv
Kv
Dv
L1e
L2e
L3e
P1e
P2e
E1e
E2e
E3e
Te
Ae
Ve
Ke
De
L1p
L2p
L3p
P1p
P2p
E1p
E2p
E3p
Tp
Ap
Vp
Kp
Dp
L1i
L2i
L3i
P1i
P2i
Page 46
Detailed
E1i
E2i
E3i
Ti
Ai
Vi
Ki
Di
L1s
L2s
L3s
P1s
P2s
E1s
E2s
E3s
Ts
As
Vs
Ks
Ds
Page 47
Detailed
Description
Number of acidic groups. The list of acidic groups is defined by these SMARTS "$([O;H1]-[C,S,P]=O)", "$([*;-;!$(*~[*;+])])
Ghose-Crippen LogKow
Square of ALogP
Molar refractivity
Sum of the atomic polarizabilities (including implicit hydrogens)
Number of aromatic atoms
Number of aromatic bonds
Number of atoms
Number of heavy atoms (i.e. not hydrogen)
Number of hydrogen atoms
Number of boron atoms
Number of carbon atoms
Number of nitrogen atoms
Number of oxygen atoms
Number of sulphur atoms
Number of phosphorus atoms
Number of fluorine atoms
Number of chlorine atoms
Number of bromine atoms
Number of iodine atoms
Number of halogen atoms (F, Cl, Br, I, At, Uus)
Broto-Moreau autocorrelation - lag 0 / weighted by mass
Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumes
Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativities
Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilities
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Detailed
Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potential
Broto-Moreau autocorrelation - lag 0 / weighted by I-state
Average Broto-Moreau autocorrelation - lag 0 / weighted by mass
Average Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumes
Average Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativities
Average Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilities
Page 49
Detailed
Average Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potential
Average Broto-Moreau autocorrelation - lag 0 / weighted by I-state
Centered Broto-Moreau autocorrelation - lag 0 / weighted by charges
Centered Broto-Moreau autocorrelation - lag 0 / weighted by mass
Centered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumes
Centered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativities
Page 50
Detailed
Centered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilities
Centered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potential
Centered Broto-Moreau autocorrelation - lag 0 / weighted by I-state
Average centered Broto-Moreau autocorrelation - lag 0 / weighted by charges
Average centered Broto-Moreau autocorrelation - lag 0 / weighted by mass
Average centered Broto-Moreau autocorrelation - lag 0 / weighted by van der Waals volumes
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Detailed
Average centered Broto-Moreau autocorrelation - lag 0 / weighted by Sanderson electronegativities
Average centered Broto-Moreau autocorrelation - lag 0 / weighted by polarizabilities
Average centered Broto-Moreau autocorrelation - lag 0 / weighted by first ionization potential
Average centered Broto-Moreau autocorrelation - lag 0 / weighted by I-state
Moran autocorrelation - lag 1 / weighted by charges
Moran autocorrelation - lag 1 / weighted by mass
Page 52
Detailed
Moran autocorrelation - lag 1 / weighted by van der Waals volumes
Moran autocorrelation - lag 1 / weighted by Sanderson electronegativities
Moran autocorrelation - lag 1 / weighted by polarizabilities
Moran autocorrelation - lag 1 / weighted by first ionization potential
Moran autocorrelation - lag 1 / weighted by I-state
Geary autocorrelation - lag 1 / weighted by charges
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Detailed
Geary autocorrelation - lag 1 / weighted by mass
Geary autocorrelation - lag 1 / weighted by van der Waals volumes
Geary autocorrelation - lag 1 / weighted by Sanderson electronegativities
Geary autocorrelation - lag 1 / weighted by polarizabilities
Geary autocorrelation - lag 1 / weighted by first ionization potential
Geary autocorrelation - lag 1 / weighted by I-state
Graph energy from Barysz matrix / weighted by atomic number
Leading eigenvalue from Barysz matrix / weighted by atomic number
Spectral diameter from Barysz matrix / weighted by atomic number
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Detailed
Spectral absolute deviation from Barysz matrix / weighted by atomic number
Spectral mean absolute deviation from Barysz matrix / weighted by atomic number
Estrada-like index from Barysz matrix / weighted by atomic number (ln(1+x))
Spectral moment of order 1 from Barysz matrix / weighted by atomic number
Coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic number
Average coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic number
Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by atomic number
Randic-like eigenvector-based index from Barysz matrix / weighted by atomic number
Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by atomic number
Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by atomic number
Graph energy from Barysz matrix / weighted by mass
Leading eigenvalue from Barysz matrix / weighted by mass
Spectral diameter from Barysz matrix / weighted by mass
Spectral absolute deviation from Barysz matrix / weighted by mass
Spectral mean absolute deviation from Barysz matrix / weighted by mass
Estrada-like index from Barysz matrix / weighted by mass (ln(1+x))
Spectral moment of order 1 from Barysz matrix / weighted by mass
Coefficient sum of the last eigenvector from Barysz matrix / weighted by mass
Average coefficient sum of the last eigenvector from Barysz matrix / weighted by mass
Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by mass
Randic-like eigenvector-based index from Barysz matrix / weighted by mass
Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by mass
Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by mass
Graph energy from Barysz matrix / weighted by van der Waals volumes
Leading eigenvalue from Barysz matrix / weighted by van der Waals volumes
Spectral diameter from Barysz matrix / weighted by van der Waals volumes
Spectral absolute deviation from Barysz matrix / weighted by van der Waals volumes
Spectral mean absolute deviation from Barysz matrix / weighted by van der Waals volumes
Estrada-like index from Barysz matrix / weighted by van der Waals volumes (ln(1+x))
Spectral moment of order 1 from Barysz matrix / weighted by van der Waals volumes
Coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumes
Average coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumes
Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by van der Waals volumes
Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumes
Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumes
Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by van der Waals volumes
Graph energy from Barysz matrix / weighted by Sanderson electronegativities
Leading eigenvalue from Barysz matrix / weighted by Sanderson electronegativities
Spectral diameter from Barysz matrix / weighted by Sanderson electronegativities
Spectral absolute deviation from Barysz matrix / weighted by Sanderson electronegativities
Spectral mean absolute deviation from Barysz matrix / weighted by Sanderson electronegativities
Estrada-like index from Barysz matrix / weighted by Sanderson electronegativities (ln(1+x))
Spectral moment of order 1 from Barysz matrix / weighted by Sanderson electronegativities
Coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativities
Average coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativities
Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by Sanderson electronegativities
Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativities
Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativities
Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by Sanderson electronegativities
Graph energy from Barysz matrix / weighted by polarizabilities
Leading eigenvalue from Barysz matrix / weighted by polarizabilities
Spectral diameter from Barysz matrix / weighted by polarizabilities
Spectral absolute deviation from Barysz matrix / weighted by polarizabilities
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Detailed
Spectral mean absolute deviation from Barysz matrix / weighted by polarizabilities
Estrada-like index from Barysz matrix / weighted by polarizabilities (ln(1+x))
Spectral moment of order 1 from Barysz matrix / weighted by polarizabilities
Coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilities
Average coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilities
Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by polarizabilities
Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilities
Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilities
Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by polarizabilities
Graph energy from Barysz matrix / weighted by first ionization potential
Leading eigenvalue from Barysz matrix / weighted by first ionization potential
Spectral diameter from Barysz matrix / weighted by first ionization potential
Spectral absolute deviation from Barysz matrix / weighted by first ionization potential
Spectral mean absolute deviation from Barysz matrix / weighted by first ionization potential
Estrada-like index from Barysz matrix / weighted by first ionization potential (ln(1+x))
Spectral moment of order 1 from Barysz matrix / weighted by first ionization potential
Coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potential
Average coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potential
Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by first ionization potential
Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potential
Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potential
Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by first ionization potential
Graph energy from Barysz matrix / weighted by I-state
Leading eigenvalue from Barysz matrix / weighted by I-state
Spectral diameter from Barysz matrix / weighted by I-state
Spectral absolute deviation from Barysz matrix / weighted by I-state
Spectral mean absolute deviation from Barysz matrix / weighted by I-state
Estrada-like index from Barysz matrix / weighted by I-state (ln(1+x))
Spectral moment of order 1 from Barysz matrix / weighted by I-state
Coefficient sum of the last eigenvector from Barysz matrix / weighted by I-state
Average coefficient sum of the last eigenvector from Barysz matrix / weighted by I-state
Logarithmic coefficient sum of the last eigenvector from Barysz matrix / weighted by I-state
Randic-like eigenvector-based index from Barysz matrix / weighted by I-state
Normalized Randic-like eigenvector-based index from Barysz matrix / weighted by I-state
Logarithmic Randic-like eigenvector-based index from Barysz matrix / weighted by I-state
Number of basic groups. The list of basic groups is defined by this SMARTS "[$([NH2]-[CX4])]", "[$([NH](-[CX4])-[CX4])]",
nhigh lowest atom weighted BCUTS
nlow highest atom weighted BCUTS
nhigh lowest partial charge weighted BCUTS
nlow highest partial charge weighted BCUTS
nhigh lowest polarizability weighted BCUTS
nlow highest polarizability weighted BCUTS
Number of bonds (excluding bonds with hydrogen)
Total number of bonds (including bonds to hydrogens)
Number of single bonds (including bonds with hydrogen)
Total number of single bonds (including bonds to hydrogens, excluding aromatic bonds)
Total number of single bonds (excluding bonds to hydrogens and aromatic bonds)
Number of double bonds
Total number of double bonds (excluding bonds to aromatic bonds)
Number of triple bonds
Number of quadruple bonds
Total number of bonds that have bond order greater than one (aromatic bonds have bond order 1.5).
Sum of the absolute value of the difference between atomic polarizabilities of all bonded atoms in the molecule (including
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Detailed
Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative mass
Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative mass
Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumes
Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative van der Waals volumes
Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativities
Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative Sanderson electronegativities
Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilities
Page 57
Detailed
Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative polarizabilities
Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potential
Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative first ionization potential
Largest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-state
Smallest absolute eigenvalue of Burden modified matrix - n 1 / weighted by relative I-state
Triply bound carbon bound to one other carbon
Triply bound carbon bound to two other carbons
Doubly bound carbon bound to one other carbon
Doubly bound carbon bound to two other carbons
Doubly bound carbon bound to three other carbons
Singly bound carbon bound to one other carbon
Singly bound carbon bound to two other carbons
Singly bound carbon bound to three other carbons
Singly bound carbon bound to four other carbons
Simple chain, order 3
Page 58
Detailed
Valence chain, order 3
Simple cluster, order 3
Valence cluster, order 3
Simple path cluster, order 4
Valence path cluster, order 4
Simple path, order 0
Average simple path, order 0
Valence path, order 0
Average valence path, order 0
Page 59
Detailed
Sum of atomic van der Waals volumes (scaled on carbon atom)
Sum of atomic Sanderson electronegativities (scaled on carbon atom)
Sum of atomic Pauling electronegativities (scaled on carbon atom)
Sum of atomic Allred-Rochow electronegativities (scaled on carbon atom)
Sum of atomic polarizabilities (scaled on carbon atom)
Sum of first first ionization potentials (scaled on carbon atom)
Mean atomic van der Waals volumes (scaled on carbon atom)
Mean atomic Sanderson electronegativities (scaled on carbon atom)
Mean atomic Pauling electronegativities (scaled on carbon atom)
Mean atomic Allred-Rochow electronegativities (scaled on carbon atom)
Mean atomic polarizabilities (scaled on carbon atom)
Mean first first ionization potentials (scaled on carbon atom)
Crippen's LogP
Crippen's molar refractivity
Leading eigenvalue from detour matrix
Spectral diameter from detour matrix
Spectral absolute deviation from detour matrix
Spectral mean absolute deviation from detour matrix
Estrada-like index from detour matrix
Coefficient sum of the last eigenvector from detour matrix
Average coefficient sum of the last eigenvector from detour matrix
Logarithmic coefficient sum of the last eigenvector from detour matrix
Randic-like eigenvector-based index from detour matrix
Normalized Randic-like eigenvector-based index from detour matrix
Logarithmic Randic-like eigenvector-based index from detour matrix
A topological descriptor combining distance and adjacency information
Count of E-States for (strong) Hydrogen Bond donors
Count of E-States for weak Hydrogen Bond donors
Count of E-States for (strong) Hydrogen Bond acceptors
Count of E-States for weak Hydrogen Bond acceptors
Count of E-State descriptors of strength for potential Hydrogen Bonds of path length 2
Count of atom-type H E-State: -OH
Count of atom-type H E-State: =NH
Count of atom-type H E-State: -SH
Count of atom-type H E-State: -NH2
Count of atom-type H E-State: -NH-
Count of atom-type H E-State: :NH:
Count of atom-type H E-State: -NH3+
Count of atom-type H E-State: -NH2-+
Count of atom-type H E-State: >NH-+
Count of atom-type H E-State: #CH
Count of atom-type H E-State: =CH2
Count of atom-type H E-State: =CH-
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Detailed
Count of atom-type H E-State: :CH:
Count of atom-type H E-State: CHnX
Count of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb
Count of atom-type H E-State: H on C sp3 bonded to unsaturated C
Count of atom-type H E-State: H on C vinyl bonded to C aromatic
Count of atom-type H E-State: H on aaCH, dCH2 or dsCH
Count of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb
Count of atom-type E-State: -Li
Count of atom-type E-State: -Be-
Count of atom-type E-State: >Be<-2
Count of atom-type E-State: -BH2
Count of atom-type E-State: -BH-
Count of atom-type E-State: -B<
Count of atom-type E-State: >B<-
Count of atom-type E-State: -CH3
Count of atom-type E-State: =CH2
Count of atom-type E-State: -CH2-
Count of atom-type E-State: #CH
Count of atom-type E-State: =CH-
Count of atom-type E-State: :CH:
Count of atom-type E-State: >CH-
Count of atom-type E-State: =C=
Count of atom-type E-State: #C-
Count of atom-type E-State: =C<
Count of atom-type E-State: :C:-
Count of atom-type E-State: ::C:
Count of atom-type E-State: >C<
Count of atom-type E-State: -NH3+
Count of atom-type E-State: -NH2
Count of atom-type E-State: -NH2-+
Count of atom-type E-State: =NH
Count of atom-type E-State: -NH-
Count of atom-type E-State: :NH:
Count of atom-type E-State: #N
Count of atom-type E-State: >NH-+
Count of atom-type E-State: =N-
Count of atom-type E-State: :N:
Count of atom-type E-State: >N-
Count of atom-type E-State: -N<<
Count of atom-type E-State: :N:-
Count of atom-type E-State: >N<+
Count of atom-type E-State: -OH
Count of atom-type E-State: =O
Count of atom-type E-State: -O-
Count of atom-type E-State: :O:
Count of atom-type E-State: :O-0.5
Count of atom-type E-State: -O-
Count of atom-type E-State: -F
Count of atom-type E-State: -SiH3
Count of atom-type E-State: -SiH2-
Count of atom-type E-State: >SiH-
Count of atom-type E-State: >Si<
Count of atom-type E-State: -PH2
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Detailed
Count of atom-type E-State: -PH-
Count of atom-type E-State: >P-
Count of atom-type E-State: ->P=
Count of atom-type E-State: -=P=
Count of atom-type E-State: ->P<
Count of atom-type E-State: -SH
Count of atom-type E-State: =S
Count of atom-type E-State: -S-
Count of atom-type E-State: aSa
Count of atom-type E-State: >S=
Count of atom-type E-State: >S==
Count of atom-type E-State: >S<<
Count of atom-type E-State: -S-
Count of atom-type E-State: -Cl
Count of atom-type E-State: -GeH3
Count of atom-type E-State: -GeH2-
Count of atom-type E-State: >GeH-
Count of atom-type E-State: >Ge<
Count of atom-type E-State: -AsH2
Count of atom-type E-State: -AsH-
Count of atom-type E-State: >As-
Count of atom-type E-State: ->As=
Count of atom-type E-State: -=As=
Count of atom-type E-State: ->As<
Count of atom-type E-State: -SeH
Count of atom-type E-State: =Se
Count of atom-type E-State: -Se-
Count of atom-type E-State: aSea
Count of atom-type E-State: >Se=
Count of atom-type E-State: >Se<<
Count of atom-type E-State: -=Se=-
Count of atom-type E-State: -Br
Count of atom-type E-State: -SnH3
Count of atom-type E-State: -SnH2-
Count of atom-type E-State: >SnH-
Count of atom-type E-State: >Sn<
Count of atom-type E-State: -I
Count of atom-type E-State: -PbH3
Count of atom-type E-State: -PbH2-
Count of atom-type E-State: >PbH-
Count of atom-type E-State: >Pb<
Sum of E-States for (strong) hydrogen bond donors
Sum of E-States for weak hydrogen bond donors
Sum of E-States for (strong) hydrogen bond acceptors
Sum of E-States for weak hydrogen bond acceptors
Sum of E-State descriptors of strength for potential hydrogen bonds of path length 2
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Detailed
Sum of atom-type H E-State: -OH
Sum of atom-type H E-State: =NH
Sum of atom-type H E-State: -SH
Sum of atom-type H E-State: -NH2
Sum of atom-type H E-State: -NH-
Sum of atom-type H E-State: :NH:
Sum of atom-type H E-State: -NH3+
Sum of atom-type H E-State: -NH2-+
Sum of atom-type H E-State: >NH-+
Sum of atom-type H E-State: #CH
Sum of atom-type H E-State: =CH2
Sum of atom-type H E-State: =CH-
Sum of atom-type H E-State: :CH:
Sum of atom-type H E-State: CHnX
Sum of atom-type H E-State: H on C sp3 bonded to saturated C
Sum of atom-type H E-State: H on C sp3 bonded to unsaturated C
Sum of atom-type H E-State: H on C vinyl bonded to C aromatic
Sum of atom-type H E-State: H on aaCH, dCH2 or dsCH
Sum of atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb
Sum of atom-type E-State: -Li
Sum of atom-type E-State: -Be-
Sum of atom-type E-State: >Be<-2
Sum of atom-type E-State: -BH2
Sum of atom-type E-State: -BH-
Sum of atom-type E-State: -B<
Sum of atom-type E-State: >B<-
Sum of atom-type E-State: -CH3
Sum of atom-type E-State: =CH2
Sum of atom-type E-State: -CH2-
Sum of atom-type E-State: #CH
Sum of atom-type E-State: =CH-
Sum of atom-type E-State: :CH:
Sum of atom-type E-State: >CH-
Sum of atom-type E-State: =C=
Sum of atom-type E-State: #C-
Sum of atom-type E-State: =C<
Sum of atom-type E-State: :C:-
Sum of atom-type E-State: ::C:
Sum of atom-type E-State: >C<
Sum of atom-type E-State: -NH3+
Sum of atom-type E-State: -NH2
Sum of atom-type E-State: -NH2-+
Sum of atom-type E-State: =NH
Sum of atom-type E-State: -NH-
Sum of atom-type E-State: :NH:
Sum of atom-type E-State: #N
Sum of atom-type E-State: >NH-+
Sum of atom-type E-State: =N-
Sum of atom-type E-State: :N:
Sum of atom-type E-State: >N-
Sum of atom-type E-State: -N<<
Sum of atom-type E-State: :N:-
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Detailed
Sum of atom-type E-State: >N<+
Sum of atom-type E-State: -OH
Sum of atom-type E-State: =O
Sum of atom-type E-State: -O-
Sum of atom-type E-State: :O:
Sum of atom-type E-State: :O-0.5
Sum of atom-type E-State: -O-
Sum of atom-type E-State: -F
Sum of atom-type E-State: -SiH3
Sum of atom-type E-State: -SiH2-
Sum of atom-type E-State: >SiH-
Sum of atom-type E-State: >Si<
Sum of atom-type E-State: -PH2
Sum of atom-type E-State: -PH-
Sum of atom-type E-State: >P-
Sum of atom-type E-State: ->P=
Sum of atom-type E-State: -=P=
Sum of atom-type E-State: ->P<
Sum of atom-type E-State: -SH
Sum of atom-type E-State: =S
Sum of atom-type E-State: -S-
Sum of atom-type E-State: aSa
Sum of atom-type E-State: >S=
Sum of atom-type E-State: >S==
Sum of atom-type E-State: >S<<
Sum of atom-type E-State: -S-
Sum of atom-type E-State: -Cl
Sum of atom-type E-State: -GeH3
Sum of atom-type E-State: -GeH2-
Sum of atom-type E-State: >GeH-
Sum of atom-type E-State: >Ge<
Sum of atom-type E-State: -AsH2
Sum of atom-type E-State: -AsH-
Sum of atom-type E-State: >As-
Sum of atom-type E-State: ->As=
Sum of atom-type E-State: -=As=
Sum of atom-type E-State: ->As<
Sum of atom-type E-State: -SeH
Sum of atom-type E-State: =Se
Sum of atom-type E-State: -Se-
Sum of atom-type E-State: aSea
Sum of atom-type E-State: >Se=
Sum of atom-type E-State: >Se<<
Sum of atom-type E-State: -=Se=-
Sum of atom-type E-State: -Br
Sum of atom-type E-State: -SnH3
Sum of atom-type E-State: -SnH2-
Sum of atom-type E-State: >SnH-
Sum of atom-type E-State: >Sn<
Sum of atom-type E-State: -I
Sum of atom-type E-State: -PbH3
Sum of atom-type E-State: -PbH2-
Sum of atom-type E-State: >PbH-
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Detailed
Sum of atom-type E-State: >Pb<
Minimum E-States for (strong) Hydrogen Bond donors
Minimum E-States for weak Hydrogen Bond donors
Minimum E-States for (strong) Hydrogen Bond acceptors
Minimum E-States for weak Hydrogen Bond acceptors
Minimum E-State descriptors of strength for potential Hydrogen Bonds of path length 2
Minimum atom-type H E-State: -OH
Minimum atom-type H E-State: =NH
Minimum atom-type H E-State: -SH
Minimum atom-type H E-State: -NH2
Minimum atom-type H E-State: -NH-
Minimum atom-type H E-State: :NH:
Minimum atom-type H E-State: -NH3+
Minimum atom-type H E-State: -NH2-+
Minimum atom-type H E-State: >NH-+
Minimum atom-type H E-State: #CH
Minimum atom-type H E-State: =CH2
Minimum atom-type H E-State: =CH-
Minimum atom-type H E-State: :CH:
Minimum atom-type H E-State: CHnX
Minimum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb
Minimum atom-type H E-State: H on C sp3 bonded to unsaturated C
Minimum atom-type H E-State: H on C vinyl bonded to C aromatic
Minimum atom-type H E-State: H on aaCH, dCH2 or dsCH
Minimum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb
Minimum atom-type E-State: -Li
Minimum atom-type E-State: -Be-
Minimum atom-type E-State: >Be<-2
Minimum atom-type E-State: -BH2
Minimum atom-type E-State: -BH-
Minimum atom-type E-State: -B<
Minimum atom-type E-State: >B<-
Minimum atom-type E-State: -CH3
Minimum atom-type E-State: =CH2
Minimum atom-type E-State: -CH2-
Minimum atom-type E-State: #CH
Minimum atom-type E-State: =CH-
Minimum atom-type E-State: :CH:
Minimum atom-type E-State: >CH-
Minimum atom-type E-State: =C=
Minimum atom-type E-State: #C-
Minimum atom-type E-State: =C<
Minimum atom-type E-State: :C:-
Minimum atom-type E-State: ::C:
Minimum atom-type E-State: >C<
Page 65
Detailed
Minimum atom-type E-State: -NH3+
Minimum atom-type E-State: -NH2
Minimum atom-type E-State: -NH2-+
Minimum atom-type E-State: =NH
Minimum atom-type E-State: -NH-
Minimum atom-type E-State: :NH:
Minimum atom-type E-State: #N
Minimum atom-type E-State: >NH-+
Minimum atom-type E-State: =N-
Minimum atom-type E-State: :N:
Minimum atom-type E-State: >N-
Minimum atom-type E-State: -N<<
Minimum atom-type E-State: :N:-
Minimum atom-type E-State: >N<+
Minimum atom-type E-State: -OH
Minimum atom-type E-State: =O
Minimum atom-type E-State: -O-
Minimum atom-type E-State: :O:
Minimum atom-type E-State: :O-0.5
Minimum atom-type E-State: -O-
Minimum atom-type E-State: -F
Minimum atom-type E-State: -SiH3
Minimum atom-type E-State: -SiH2-
Minimum atom-type E-State: >SiH-
Minimum atom-type E-State: >Si<
Minimum atom-type E-State: -PH2
Minimum atom-type E-State: -PH-
Minimum atom-type E-State: >P-
Minimum atom-type E-State: ->P=
Minimum atom-type E-State: -=P=
Minimum atom-type E-State: ->P<
Minimum atom-type E-State: -SH
Minimum atom-type E-State: =S
Minimum atom-type E-State: -S-
Minimum atom-type E-State: aSa
Minimum atom-type E-State: >S=
Minimum atom-type E-State: >S==
Minimum atom-type E-State: >S<<
Minimum atom-type E-State: -S-
Minimum atom-type E-State: -Cl
Minimum atom-type E-State: -GeH3
Minimum atom-type E-State: -GeH2-
Minimum atom-type E-State: >GeH-
Minimum atom-type E-State: >Ge<
Minimum atom-type E-State: -AsH2
Minimum atom-type E-State: -AsH-
Minimum atom-type E-State: >As-
Minimum atom-type E-State: ->As=
Minimum atom-type E-State: -=As=
Minimum atom-type E-State: ->As<
Minimum atom-type E-State: -SeH
Minimum atom-type E-State: =Se
Minimum atom-type E-State: -Se-
Page 66
Detailed
Minimum atom-type E-State: aSea
Minimum atom-type E-State: >Se=
Minimum atom-type E-State: >Se<<
Minimum atom-type E-State: -=Se=-
Minimum atom-type E-State: -Br
Minimum atom-type E-State: -SnH3
Minimum atom-type E-State: -SnH2-
Minimum atom-type E-State: >SnH-
Minimum atom-type E-State: >Sn<
Minimum atom-type E-State: -I
Minimum atom-type E-State: -PbH3
Minimum atom-type E-State: -PbH2-
Minimum atom-type E-State: >PbH-
Minimum atom-type E-State: >Pb<
Maximum E-States for (strong) Hydrogen Bond donors
Maximum E-States for weak Hydrogen Bond donors
Maximum E-States for (strong) Hydrogen Bond acceptors
Maximum E-States for weak Hydrogen Bond acceptors
Maximum E-State descriptors of strength for potential Hydrogen Bonds of path length 2
Maximum atom-type H E-State: -OH
Maximum atom-type H E-State: =NH
Maximum atom-type H E-State: -SH
Maximum atom-type H E-State: -NH2
Maximum atom-type H E-State: -NH-
Maximum atom-type H E-State: :NH:
Maximum atom-type H E-State: -NH3+
Maximum atom-type H E-State: -NH2-+
Maximum atom-type H E-State: >NH-+
Maximum atom-type H E-State: #CH
Maximum atom-type H E-State: =CH2
Maximum atom-type H E-State: =CH-
Maximum atom-type H E-State: :CH:
Maximum atom-type H E-State: CHnX
Maximum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb
Maximum atom-type H E-State: H on C sp3 bonded to unsaturated C
Maximum atom-type H E-State: H on C vinyl bonded to C aromatic
Maximum atom-type H E-State: H on aaCH, dCH2 or dsCH
Maximum atom-type H E-State: H bonded to B, Si, P, Ge, As, Se, Sn or Pb
Maximum atom-type E-State: -Li
Maximum atom-type E-State: -Be-
Maximum atom-type E-State: >Be<-2
Maximum atom-type E-State: -BH2
Maximum atom-type E-State: -BH-
Maximum atom-type E-State: -B<
Maximum atom-type E-State: >B<-
Page 67
Detailed
Maximum atom-type E-State: -CH3
Maximum atom-type E-State: =CH2
Maximum atom-type E-State: -CH2-
Maximum atom-type E-State: #CH
Maximum atom-type E-State: =CH-
Maximum atom-type E-State: :CH:
Maximum atom-type E-State: >CH-
Maximum atom-type E-State: =C=
Maximum atom-type E-State: #C-
Maximum atom-type E-State: =C<
Maximum atom-type E-State: :C:-
Maximum atom-type E-State: ::C:
Maximum atom-type E-State: >C<
Maximum atom-type E-State: -NH3+
Maximum atom-type E-State: -NH2
Maximum atom-type E-State: -NH2-+
Maximum atom-type E-State: =NH
Maximum atom-type E-State: -NH-
Maximum atom-type E-State: :NH:
Maximum atom-type E-State: #N
Maximum atom-type E-State: >NH-+
Maximum atom-type E-State: =N-
Maximum atom-type E-State: :N:
Maximum atom-type E-State: >N-
Maximum atom-type E-State: -N<<
Maximum atom-type E-State: :N:-
Maximum atom-type E-State: >N<+
Maximum atom-type E-State: -OH
Maximum atom-type E-State: =O
Maximum atom-type E-State: -O-
Maximum atom-type E-State: :O:
Maximum atom-type E-State: :O-0.5
Maximum atom-type E-State: -O-
Maximum atom-type E-State: -F
Maximum atom-type E-State: -SiH3
Maximum atom-type E-State: -SiH2-
Maximum atom-type E-State: >SiH-
Maximum atom-type E-State: >Si<
Maximum atom-type E-State: -PH2
Maximum atom-type E-State: -PH-
Maximum atom-type E-State: >P-
Maximum atom-type E-State: ->P=
Maximum atom-type E-State: -=P=
Maximum atom-type E-State: ->P<
Maximum atom-type E-State: -SH
Maximum atom-type E-State: =S
Maximum atom-type E-State: -S-
Maximum atom-type E-State: aSa
Maximum atom-type E-State: >S=
Maximum atom-type E-State: >S==
Maximum atom-type E-State: >S<<
Maximum atom-type E-State: -S-
Maximum atom-type E-State: -Cl
Page 68
Detailed
Maximum atom-type E-State: -GeH3
Maximum atom-type E-State: -GeH2-
Maximum atom-type E-State: >GeH-
Maximum atom-type E-State: >Ge<
Maximum atom-type E-State: -AsH2
Maximum atom-type E-State: -AsH-
Maximum atom-type E-State: >As-
Maximum atom-type E-State: ->As=
Maximum atom-type E-State: -=As=
Maximum atom-type E-State: ->As<
Maximum atom-type E-State: -SeH
Maximum atom-type E-State: =Se
Maximum atom-type E-State: -Se-
Maximum atom-type E-State: aSea
Maximum atom-type E-State: >Se=
Maximum atom-type E-State: >Se<<
Maximum atom-type E-State: -=Se=-
Maximum atom-type E-State: -Br
Maximum atom-type E-State: -SnH3
Maximum atom-type E-State: -SnH2-
Maximum atom-type E-State: >SnH-
Maximum atom-type E-State: >Sn<
Maximum atom-type E-State: -I
Maximum atom-type E-State: -PbH3
Maximum atom-type E-State: -PbH2-
Maximum atom-type E-State: >PbH-
Maximum atom-type E-State: >Pb<
Sum of the intrinsic state values I
Mean intrinsic state values I
Maximum H E-State
Maximum E-State
Minimum H E-State
Minimum E-State
Lipoaffinity index
Maximum negative intrinsic state difference in the molecule (related to the nucleophilicity of the molecule). Using delt
Maximum positive intrinsic state difference in the molecule (related to the electrophilicity of the molecule). Using del
Sum of all atoms intrinsic state differences (measure of total charge transfer in the molecule). Using deltaV = (Zv-maxB
Maximum negative intrinsic state difference in the molecule (related to the nucleophilicity of the molecule). Using delt
Maximum positive intrinsic state difference in the molecule (related to the electrophilicity of the molecule). Using delt
Sum of all atoms intrinsic state differences (measure of total charge transfer in the molecule). Using deltaV = Zv-maxBon
Sum of alpha values of all non-hydrogen vertices of a molecule
Sum of alpha values of all non-hydrogen vertices of a molecule relative to molecular size
A measure of count of non-hydrogen heteroatoms
A measure of count of hydrogen bond acceptor atoms and/or polar surface area
A measure of electronegative atom count
A measure of contribution of unsaturation and electronegative atom count
A measure of contribution of unsaturation
A measure of contribution of electronegativity
A measure of contribution of hydrogen bond donor atoms
Page 69
Detailed
A measure of hydrogen bonding propensity of the molecules and/or polar surface area
A measure of hydrogen bonding propensity of the molecules
A measure of hydrogen bonding propensity of the molecules
Shape index P
Shape index Y
Shape index X
A measure of electronic features of the molecule
A measure of electronic features of the molecule relative to molecular size
A measure of electronegative atom count of the molecule
A measure of electronegative atom count of the molecule relative to molecular size
A measure of electron-richness of the molecule
A measure of electron-richness of the molecule relative to molecular size
A measure of relative unsaturation content
A measure of relative unsaturation content relative to molecular size
A measure of lone electrons entering into resonance
A measure of lone electrons entering into resonance relative to molecular size
Composite index Eta
Composite index Eta relative to molecular size
Composite index Eta for reference alkane
Functionality index EtaF
Functionality index EtaF relative to molecular size
Local index Eta_local
Local index Eta_local relative to molecular size
Local index Eta_local for reference alkane
Local functionality contribution EtaF_local
Local functionality contribution EtaF_local relative to molecular size
Branching index EtaB
Branching index EtaB relative to molecular size
Branching index EtaB (with ring correction)
Branching index EtaB (with ring correction) relative to molecular size
Complexity of a molecule
Complexity of a system
Number of hydrogen bond acceptors (using CDK HBondAcceptorCountDescriptor algorithm)
Number of hydrogen bond acceptors (any oxygen; any nitrogen where the formal charge of the nitrogen is non-positive (i.
Number of hydrogen bond acceptors (any oxygen; any nitrogen where the formal charge of the nitrogen is non-positive (i.
Number of hydrogen bond acceptors (using Lipinski's definition: any nitrogen; any oxygen)
Number of hydrogen bond donors (using CDK HBondDonorCountDescriptor algorithm)
Number of hydrogen bond donors (using Lipinski's definition: Any OH or NH. Each available hydrogen atom is counted a
Fraction of sp3 carbons to sp2 carbons
Information content index (neighborhood symmetry of 0-order)
Total information content index (neighborhood symmetry of 0-order)
Structural information content index (neighborhood symmetry of 0-order)
Page 70
Detailed
Complementary information content index (neighborhood symmetry of 0-order)
Bond information content index (neighborhood symmetry of 0-order)
Modified information content index (neighborhood symmetry of 0-order)
Z-modified information content index (neighborhood symmetry of 0-order)
First kappa shape index
Second kappa shape index
Third kappa (κ) shape index
Number of atoms in the largest chain
Number of atoms in the largest pi system
Number of atoms in the longest aliphatic chain
Mannhold LogP
McGowan characteristic volume
Molecular distance edge between all primary carbons
Molecular distance edge between all primary and secondary carbons
Molecular distance edge between all primary and tertiary carbons
Molecular distance edge between all primary and quaternary carbons
Molecular distance edge between all secondary carbons
Molecular distance edge between all secondary and tertiary carbons
Molecular distance edge between all secondary and quaternary carbons
Molecular distance edge between all tertiary carbons
Molecular distance edge between all tertiary and quaternary carbons
Molecular distance edge between all quaternary carbons
Molecular distance edge between all primary oxygens
Molecular distance edge between all primary and secondary oxygens
Molecular distance edge between all secondary oxygens
Molecular distance edge between all primary nitrogens
Molecular distance edge between all primary and secondary nitrogens
Molecular distance edge between all primary and tertiary niroqens
Molecular distance edge between all secondary nitroqens
Page 71
Detailed
Molecular distance edge between all secondary and tertiary nitrogens
Molecular distance edge between all tertiary nitrogens
Overall or summation solute hydrogen bond acidity
Overall or summation solute hydrogen bond basicity
Overall or summation solute hydrogen bond basicity
Combined dipolarity/polarizability
Excessive molar refraction
Solute gas-hexadecane partition coefficient
Molecular path count of order 2
Total path count (up to order 10)
Conventional bond order ID number of order 1 (ln(1+x)
Total conventional bond order (up to order 10) (ln(1+x))
Ratio of total conventional bond order (up to order 10) with total path count (up to order 10)
Petitjean number
Number of rings
Number of 3-membered rings
Number of >12-membered rings
Number of fused rings
Number of 4-membered fused rings
Page 72
Detailed
Number of >12-membered fused rings
Number of rings (includes counts from fused rings)
Number of 4-membered rings (includes counts from fused rings)
Number of >12-membered rings (includes counts from fused rings)
Number of rings containing heteroatoms (N, O, P, S, or halogens)
Number of 3-membered rings containing heteroatoms (N, O, P, S, or halogens)
Number of >12-membered rings containing heteroatoms (N, O, P, S, or halogens)
Number of fused rings containing heteroatoms (N, O, P, S, or halogens)
Number of 4-membered fused rings containing heteroatoms (N, O, P, S, or halogens)
Number of >12-membered fused rings containing heteroatoms (N, O, P, S, or halogens)
Number of rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)
Number of 4-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)
Number of >12-membered rings (includes counts from fused rings) containing heteroatoms (N, O, P, S, or halogens)
Number of rotatable bonds, excluding terminal bonds
Fraction of rotatable bonds, excluding terminal bonds
Number of rotatable bonds, including terminal bonds
Fraction of rotatable bonds, including terminal bonds
Number failures of the Lipinski's Rule Of 5
Topological radius (minimum atom eccentricity)
Topological diameter (maximum atom eccentricity)
Page 73
Detailed
Petitjean topological shape index
Topological charge index of order 1
Mean topological charge index of order 1
Global topological charge index
Leading eigenvalue from topological distance matrix
Spectral diameter from topological distance matrix
Spectral absolute deviation from topological distance matrix
Spectral mean absolute deviation from topological distance matrix
Estrada-like index from topological distance matrix
Coefficient sum of the last eigenvector from topological distance matrix
Average coefficient sum of the last eigenvector from topological distance matrix
Logarithmic coefficient sum of the last eigenvector from topological distance matrix
Randic-like eigenvector-based index from topological distance matrix
Normalized Randic-like eigenvector-based index from topological distance matrix
Logarithmic Randic-like eigenvector-based index from topological distance matrix
Topological polar surface area
Van der Waals volume calculated using the method proposed in [Zhao, Yuan H. and Abraham, Michael H. and Zissimos, A
Vertex adjacency information (magnitude)
Molecular walk count of order 2 (ln(1+x)
Total walk count (up to order 10)
Self-returning walk count of order 2 (ln(1+x)
Page 74
Detailed
Total self-return walk count (up to order 10) (ln(1+x))
Molecular weight
Average molecular weight (Molecular weight / Total number of atoms)
Molecular ID
Molecular ID / number of atoms
Sum of path lengths starting from heteroatoms
Sum of path lengths starting from oxygens
Sum of path lengths starting from nitrogens
Weiner path number
Weiner polarity number
XLogP
Sum of the squares of atom degree over all heavy atoms i
3D topological distance based autocorrelation - lag 1 / unweighted
3D topological distance based autocorrelation - lag 1 / weighted by mass
3D topological distance based autocorrelation - lag 1 / weighted by van der Waals volumes
3D topological distance based autocorrelation - lag 1 / weighted by Sanderson electronegativities
Page 75
Detailed
3D topological distance based autocorrelation - lag 1 / weighted by polarizabilities
3D topological distance based autocorrelation - lag 1 / weighted by first ionization potential
3D topological distance based autocorrelation - lag 1 / weighted by I-state
3D topological distance based autocorrelation - lag 1 / weighted by covalent radius
Partial positive surface area -- sum of surface area on positive parts of molecule
Partial positive surface area * total positive charge on the molecule
Charge weighted partial positive surface area
Partial negative surface area -- sum of surface area on negative parts of molecule
Partial negative surface area * total negative charge on the molecule
Charge weighted partial negative surface area
Difference of PPSA-1 and PNSA-1
Difference of FPSA-2 and PNSA-2
Difference of PPSA-3 and PNSA-3
PPSA-1 / total molecular surface area
Page 76
Detailed
PNSA-1 / total molecular surface area
PPSA-1 * total molecular surface area / 1000
PPSA-2 * total molecular surface area /1000
PPSA-3 * total molecular surface area / 1000
PNSA-1 * total molecular surface area /1000
PNSA-2 * total molecular surface area / 1000
PNSA-3 * total molecular surface area / 1000
Relative positive charge -- most positive charge / total positive charge
Relative negative charge -- most negative charge / total negative charge
Relative positive charge surface area -- most positive surface area * RPCG
Relative negative charge surface area -- most negative surface area * RNCG
Sum of solvent accessible surface areas of atoms with absolute value of partial charges less than 0.2
Sum of solvent accessible surface areas of atoms with absolute value of partial charges greater than or equal 0.2
THSA / total molecular surface area
TPSA / total molecular surface area
Gravitational index of heavy atoms
Square root of gravitational index of heavy atoms
Cube root of gravitational index of heavy atoms
Gravitational index - hydrogens included
Square root of hydrogen-included gravitational index
Cube root of hydrogen-included gravitational index
Gravitational index of all pairs of atoms (not just bonded pairs)
Square root of gravitational index of all pairs of atoms (not just bonded pairs)
Cube root of gravitational index of all pairs of atoms (not just bonded pairs)
The maximum L/B ratio
The L/B ratio for the rotation that results in the minimum area
Moment of inertia along X axis
Moment of inertia along Y axis
Moment of inertia along Z axis
X/Y
X/Z
Y/Z
Radius of gyration
Geometrical radius (minimum geometric eccentricity)
Geometrical diameter (maximum geometric eccentricity)
Petitjean geometric shape index
Radial distribution function - 010 / unweighted
Page 77
Detailed
Radial distribution function - 010 / weighted by relative mass
Radial distribution function - 010 / weighted by relative van der Waals volumes
Page 78
Detailed
Radial distribution function - 010 / weighted by relative Sanderson electronegativities
Radial distribution function - 010 / weighted by relative polarizabilities
Page 79
Detailed
Radial distribution function - 010 / weighted by relative first ionization potential
Page 80
Detailed
Radial distribution function - 010 / weighted by relative I-state
1st component size directional WHIM index / unweighted
2nd component size directional WHIM index / unweighted
3rd component size directional WHIM index / unweighted
1st component shape directional WHIM index / unweighted
2nd component shape directional WHIM index / unweighted
1st component accessibility directional WHIM index / unweighted
2nd component accessibility directional WHIM index / unweighted
3rd component accessibility directional WHIM index / unweighted
T total size index / unweighted
A total size index / unweighted
V total size index / unweighted
K global shape index / unweighted
D total accessibility index / unweighted
1st component size directional WHIM index / weighted by relative mass
2nd component size directional WHIM index / weighted by relative mass
3rd component size directional WHIM index / weighted by relative mass
1st component shape directional WHIM index / weighted by relative mass
Page 81
Detailed
2nd component shape directional WHIM index / weighted by relative mass
1st component accessibility directional WHIM index / weighted by relative mass
2nd component accessibility directional WHIM index / weighted by relative mass
3rd component accessibility directional WHIM index / weighted by relative mass
T total size index / weighted by relative mass
A total size index / weighted by relative mass
V total size index / weighted by relative mass
K global shape index / weighted by relative mass
D total accessibility index / weighted by relative mass
1st component size directional WHIM index / weighted by relative van der Waals volumes
2nd component size directional WHIM index / weighted by relative van der Waals volumes
3rd component size directional WHIM index / weighted by relative van der Waals volumes
1st component shape directional WHIM index / weighted by relative van der Waals volumes
2nd component shape directional WHIM index / weighted by relative van der Waals volumes
1st component accessibility directional WHIM index / weighted by relative van der Waals volumes
2nd component accessibility directional WHIM index / weighted by relative van der Waals volumes
3rd component accessibility directional WHIM index / weighted by relative van der Waals volumes
T total size index / weighted by relative van der Waals volumes
A total size index / weighted by relative van der Waals volumes
V total size index / weighted by relative van der Waals volumes
K global shape index / weighted by relative van der Waals volumes
D total accessibility index / weighted by relative van der Waals volumes
1st component size directional WHIM index / weighted by relative Sanderson electronegativities
2nd component size directional WHIM index / weighted by relative Sanderson electronegativities
3rd component size directional WHIM index / weighted by relative Sanderson electronegativities
1st component shape directional WHIM index / weighted by relative Sanderson electronegativities
2nd component shape directional WHIM index / weighted by relative Sanderson electronegativities
1st component accessibility directional WHIM index / weighted by relative Sanderson electronegativities
2nd component accessibility directional WHIM index / weighted by relative Sanderson electronegativities
3rd component accessibility directional WHIM index / weighted by relative Sanderson electronegativities
T total size index / weighted by relative Sanderson electronegativities
A total size index / weighted by relative Sanderson electronegativities
V total size index / weighted by relative Sanderson electronegativities
K global shape index / weighted by relative Sanderson electronegativities
D total accessibility index / weighted by relative Sanderson electronegativities
1st component size directional WHIM index / weighted by relative polarizabilities
2nd component size directional WHIM index / weighted by relative polarizabilities
3rd component size directional WHIM index / weighted by relative polarizabilities
1st component shape directional WHIM index / weighted by relative polarizabilities
2nd component shape directional WHIM index / weighted by relative polarizabilities
1st component accessibility directional WHIM index / weighted by relative polarizabilities
2nd component accessibility directional WHIM index / weighted by relative polarizabilities
3rd component accessibility directional WHIM index / weighted by relative polarizabilities
T total size index / weighted by relative polarizabilities
A total size index / weighted by relative polarizabilities
V total size index / weighted by relative polarizabilities
K global shape index / weighted by relative polarizabilities
D total accessibility index / weighted by relative polarizabilities
1st component size directional WHIM index / weighted by relative first ionization potential
2nd component size directional WHIM index / weighted by relative first ionization potential
3rd component size directional WHIM index / weighted by relative first ionization potential
1st component shape directional WHIM index / weighted by relative first ionization potential
2nd component shape directional WHIM index / weighted by relative first ionization potential
Page 82
Detailed
1st component accessibility directional WHIM index / weighted by relative first ionization potential
2nd component accessibility directional WHIM index / weighted by relative first ionization potential
3rd component accessibility directional WHIM index / weighted by relative first ionization potential
T total size index / weighted by relative first ionization potential
A total size index / weighted by relative first ionization potential
V total size index / weighted by relative first ionization potential
K global shape index / weighted by relative first ionization potential
D total accessibility index / weighted by relative first ionization potential
1st component size directional WHIM index / weighted by relative I-state
2nd component size directional WHIM index / weighted by relative I-state
3rd component size directional WHIM index / weighted by relative I-state
1st component shape directional WHIM index / weighted by relative I-state
2nd component shape directional WHIM index / weighted by relative I-state
1st component accessibility directional WHIM index / weighted by relative I-state
2nd component accessibility directional WHIM index / weighted by relative I-state
3rd component accessibility directional WHIM index / weighted by relative I-state
T total size index / weighted by relative I-state
A total size index / weighted by relative I-state
V total size index / weighted by relative I-state
K global shape index / weighted by relative I-state
D total accessibility index / weighted by relative I-state
Page 83
Detailed
Class
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
Page 84
Detailed
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
Page 85
Detailed
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
Page 86
Detailed
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
Page 87
Detailed
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
2D
Page 88
Detailed
2D
2D
2D
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Fingerprint Fingerprint Java Class Number Remarks
CDK fingerprint Fingerprinter 1024 FP
CDK extended fingerprint ExtendedFingerprinter 1024 ExtFP
Estate fingerprint EStateFingerprinter 79 EStateFP
CDK graph only fingerprint GraphOnlyFingerprinter 1024 GraphFP
MACCS fingerprint MACCSFingerprinter 166 MACCSFP
Pubchem fingerprint PubchemFingerprinter 881 PubchemFP
Substructure fingerprint SubstructureFingerprinter 307 SubFP
Substructure fingerprint count SubstructureFingerprintCount 307 SubFPC
Klekota-Roth fingerprint KlekotaRothFingerprinter 4860 KRFP
Klekota-Roth fingerprint count KlekotaRothFingerprintCount 4860 KRFPC
2D atom pairs AtomPairs2DFingerprinter 780 AP2D
2D atom pairs count AtomPairs2DFingerprintCount 780 APC2D
Description
Fingerprint of length 1024 and search depth of 8
Extends the Fingerprinter with additional bits describing ring features
E-State fragments
Specialized version of the Fingerprinter which does not take bond orders into account
MACCS keys
Pubchem fingerprint
Presence of SMARTS Patterns for Functional Group Classification by Christian Laggner
Count of SMARTS Patterns for Functional Group Classification by Christian Laggner
Presence of chemical substructures
Count of chemical substructures
Presence of atom pairs at various topological distances
Count of atom pairs at various topological distances
Reference
Hall LH, Kier LB. Electrotopological state indices for atom types: A novel combination of electronic, topological, and valence
ftp://ftp.ncbi.nlm.nih.gov/pubchem/specifications/pubchem_fingerprints.txt
Openbabel's SMARTS_InteLigand.txt
Openbabel's SMARTS_InteLigand.txt
Klekota J, Roth FP. Chemical substructures that enrich for biological activity. Bioinformatics, 2008;24(21):2518-25
Klekota J, Roth FP. Chemical substructures that enrich for biological activity. Bioinformatics, 2008;24(21):2518-25
d valence state information. J Chem Inf Comput Sci, 1995;35:1039-45
Bit Name SMARTS
EStateFP1 sLi [LiD1]-*
EStateFP2 ssBe [BeD2](-*)-*
EStateFP3 ssssBe [BeD4](-*)(-*)(-*)-*
EStateFP4 ssBH [BD2H](-*)-*
EStateFP5 sssB [BD3](-*)(-*)-*
EStateFP6 ssssB [BD4](-*)(-*)(-*)-*
EStateFP7 sCH3 [CD1H3]-*
EStateFP8 dCH2 [CD1H2]=*
EStateFP9 ssCH2 [CD2H2](-*)-*
EStateFP10 tCH [CD1H]#*
EStateFP11 dsCH [CD2H](=*)-*
EStateFP12 aaCH [C,c;D2H](:*):*
EStateFP13 sssCH [CD3H](-*)(-*)-*
EStateFP14 ddC [CD2H0](=*)=*
EStateFP15 tsC [CD2H0](#*)-*
EStateFP16 dssC [CD3H0](=*)(-*)-*
EStateFP17 aasC [C,c;D3H0](:*)(:*)-*
EStateFP18 aaaC [C,c;D3H0](:*)(:*):*
EStateFP19 ssssC [CD4H0](-*)(-*)(-*)-*
EStateFP20 sNH3 [ND1H3]-*
EStateFP21 sNH2 [ND1H2]-*
EStateFP22 ssNH2 [ND2H2](-*)-*
EStateFP23 dNH [ND1H]=*
EStateFP24 ssNH [ND2H](-*)-*
EStateFP25 aaNH [N,nD2H](:*):*
EStateFP26 tN [ND1H0]#*
EStateFP27 sssNH [ND3H](-*)(-*)-*
EStateFP28 dsN [ND2H0](=*)-*
EStateFP29 aaN [N,nD2H0](:*):*
EStateFP30 sssN [ND3H0](-*)(-*)-*
EStateFP31 ddsN [ND3H0](~[OD1H0])(~[OD1H0])-,:*
EStateFP32 aasN [N,nD3H0](:*)(:*)-,:*
EStateFP33 ssssN [ND4H0](-*)(-*)(-*)-*
EStateFP34 sOH [OD1H]-*
EStateFP35 dO [OD1H0]=*
EStateFP36 ssO [OD2H0](-*)-*
EStateFP37 aaO [O,oD2H0](:*):*
EStateFP38 sF [FD1]-*
EStateFP39 sSiH3 [SiD1H3]-*
EStateFP40 ssSiH2 [SiD2H2](-*)-*
EStateFP41 sssSiH [SiD3H1](-*)(-*)-*
EStateFP42 ssssSi [SiD4H0](-*)(-*)(-*)-*
EStateFP43 sPH2 [PD1H2]-*
EStateFP44 ssPH [PD2H1](-*)-*
EStateFP45 sssP [PD3H0](-*)(-*)-*
EStateFP46 dsssP [PD4H0](=*)(-*)(-*)-*
EStateFP47 sssssP [PD5H0](-*)(-*)(-*)(-*)-*
EStateFP48 sSH [SD1H1]-*
EStateFP49 dS [SD1H0]=*
EStateFP50 ssS [SD2H0](-*)-*
EStateFP51 aaS [S,sD2H0](:*):*
EStateFP52 dssS [SD3H0](=*)(-*)-*
EStateFP53 ddssS [SD4H0](~[OD1H0])(~[OD1H0])(-*)-*
EStateFP54 sCl [ClD1]-*
EStateFP55 sGeH3 [GeD1H3](-*)
EStateFP56 ssGeH2 [GeD2H2](-*)-*
EStateFP57 sssGeH [GeD3H1](-*)(-*)-*
EStateFP58 ssssGe [GeD4H0](-*)(-*)(-*)-*
EStateFP59 sAsH2 [AsD1H2]-*
EStateFP60 ssAsH [AsD2H1](-*)-*
EStateFP61 sssAs [AsD3H0](-*)(-*)-*
EStateFP62 sssdAs [AsD4H0](=*)(-*)(-*)-*
EStateFP63 sssssAs [AsD5H0](-*)(-*)(-*)(-*)-*
EStateFP64 sSeH [SeD1H1]-*
EStateFP65 dSe [SeD1H0]=*
EStateFP66 ssSe [SeD2H0](-*)-*
EStateFP67 aaSe [SeD2H0](:*):*
EStateFP68 dssSe [SeD3H0](=*)(-*)-*
EStateFP69 ddssSe [SeD4H0](=*)(=*)(-*)-*
EStateFP70 sBr [BrD1]-*
EStateFP71 sSnH3 [SnD1H3]-*
EStateFP72 ssSnH2 [SnD2H2](-*)-*
EStateFP73 sssSnH [SnD3H1](-*)(-*)-*
EStateFP74 ssssSn [SnD4H0](-*)(-*)(-*)-*
EStateFP75 sI [ID1]-*
EStateFP76 sPbH3 [PbD1H3]-*
EStateFP77 ssPbH2 [PbD2H2](-*)-*
EStateFP78 sssPbH [PbD3H1](-*)(-*)-*
EStateFP79 ssssPb [PbD4H0](-*)(-*)(-*)-*.
Bit Description
SubFP1 Primary carbon
SubFP2 Secondary carbon
SubFP3 Tertiary carbon
SubFP4 Quaternary carbon
SubFP5 Alkene
SubFP6 Alkyne
SubFP7 Allene
SubFP8 Alkylchloride
SubFP9 Alkylfluoride
SubFP10 Alkylbromide
SubFP11 Alkyliodide
SubFP12 Alcohol
SubFP13 Primary alcohol
SubFP14 Secondary alcohol
SubFP15 Tertiary alcohol
SubFP16 Dialkylether
SubFP17 Dialkylthioether
SubFP18 Alkylarylether
SubFP19 Diarylether
SubFP20 Alkylarylthioether
SubFP21 Diarylthioether
SubFP22 Oxonium
SubFP23 Amine
SubFP24 Primary aliph amine
SubFP25 Secondary aliph amine
SubFP26 Tertiary aliph amine
SubFP27 Quaternary aliph ammonium
SubFP28 Primary arom amine
SubFP29 Secondary arom amine
SubFP30 Tertiary arom amine
SubFP31 Quaternary arom ammonium
SubFP32 Secondary mixed amine
SubFP33 Tertiary mixed amine
SubFP34 Quaternary mixed ammonium
SubFP35 Ammonium
SubFP36 Alkylthiol
SubFP37 Dialkylthioether
SubFP38 Alkylarylthioether
SubFP39 Disulfide
SubFP40 1,2-Aminoalcohol
SubFP41 1,2-Diol
SubFP42 1,1-Diol
SubFP43 Hydroperoxide
SubFP44 Peroxo
SubFP45 Organolithium compounds
SubFP46 Organomagnesium compounds
SubFP47 Organometallic compounds
SubFP48 Aldehyde
SubFP49 Ketone
SubFP50 Thioaldehyde
SubFP51 Thioketone
SubFP52 Imine
SubFP53 Immonium
SubFP54 Oxime
SubFP55 Oximether
SubFP56 Acetal
SubFP57 Hemiacetal
SubFP58 Aminal
SubFP59 Hemiaminal
SubFP60 Thioacetal
SubFP61 Thiohemiacetal
SubFP62 Halogen acetal like
SubFP63 Acetal like
SubFP64 Halogenmethylen ester and similar
SubFP65 NOS methylen ester and similar
SubFP66 Hetero methylen ester and similar
SubFP67 Cyanhydrine
SubFP68 Chloroalkene
SubFP69 Fluoroalkene
SubFP70 Bromoalkene
SubFP71 Iodoalkene
SubFP72 Enol
SubFP73 Endiol
SubFP74 Enolether
SubFP75 Enolester
SubFP76 Enamine
SubFP77 Thioenol
SubFP78 Thioenolether
SubFP79 Acylchloride
SubFP80 Acylfluoride
SubFP81 Acylbromide
SubFP82 Acyliodide
SubFP83 Acylhalide
SubFP84 Carboxylic acid
SubFP85 Carboxylic ester
SubFP86 Lactone
SubFP87 Carboxylic anhydride
SubFP88 Carboxylic acid derivative
SubFP89 Carbothioic acid
SubFP90 Carbothioic S ester
SubFP91 Carbothioic S lactone
SubFP92 Carbothioic O ester
SubFP93 Carbothioic O lactone
SubFP94 Carbothioic halide
SubFP95 Carbodithioic acid
SubFP96 Carbodithioic ester
SubFP97 Carbodithiolactone
SubFP98 Amide
SubFP99 Primary amide
SubFP100 Secondary amide
SubFP101 Tertiary amide
SubFP102 Lactam
SubFP103 Alkyl imide
SubFP104 N hetero imide
SubFP105 Imide acidic
SubFP106 Thioamide
SubFP107 Thiolactam
SubFP108 Oximester
SubFP109 Amidine
SubFP110 Hydroxamic acid
SubFP111 Hydroxamic acid ester
SubFP112 Imidoacid
SubFP113 Imidoacid cyclic
SubFP114 Imidoester
SubFP115 Imidolactone
SubFP116 Imidothioacid
SubFP117 Imidothioacid cyclic
SubFP118 Imidothioester
SubFP119 Imidothiolactone
SubFP120 Amidine
SubFP121 Imidolactam
SubFP122 Imidoylhalide
SubFP123 Imidoylhalide cyclic
SubFP124 Amidrazone
SubFP125 Alpha aminoacid
SubFP126 Alpha hydroxyacid
SubFP127 Peptide middle
SubFP128 Peptide C term
SubFP129 Peptide N term
SubFP130 Carboxylic orthoester
SubFP131 Ketene
SubFP132 Ketenacetal
SubFP133 Nitrile
SubFP134 Isonitrile
SubFP135 Vinylogous carbonyl or carboxyl derivative
SubFP136 Vinylogous acid
SubFP137 Vinylogous ester
SubFP138 Vinylogous amide
SubFP139 Vinylogous halide
SubFP140 Carbonic acid dieester
SubFP141 Carbonic acid esterhalide
SubFP142 Carbonic acid monoester
SubFP143 Carbonic acid derivatives
SubFP144 Thiocarbonic acid dieester
SubFP145 Thiocarbonic acid esterhalide
SubFP146 Thiocarbonic acid monoester
SubFP147 Urea
SubFP148 Thiourea
SubFP149 Isourea
SubFP150 Isothiourea
SubFP151 Guanidine
SubFP152 Carbaminic acid
SubFP153 Urethan
SubFP154 Biuret
SubFP155 Semicarbazide
SubFP156 Carbazide
SubFP157 Semicarbazone
SubFP158 Carbazone
SubFP159 Thiosemicarbazide
SubFP160 Thiocarbazide
SubFP161 Thiosemicarbazone
SubFP162 Thiocarbazone
SubFP163 Isocyanate
SubFP164 Cyanate
SubFP165 Isothiocyanate
SubFP166 Thiocyanate
SubFP167 Carbodiimide
SubFP168 Orthocarbonic derivatives
SubFP169 Phenol
SubFP170 1,2-Diphenol
SubFP171 Arylchloride
SubFP172 Arylfluoride
SubFP173 Arylbromide
SubFP174 Aryliodide
SubFP175 Arylthiol
SubFP176 Iminoarene
SubFP177 Oxoarene
SubFP178 Thioarene
SubFP179 Hetero N basic H
SubFP180 Hetero N basic no H
SubFP181 Hetero N nonbasic
SubFP182 Hetero O
SubFP183 Hetero S
SubFP184 Heteroaromatic
SubFP185 Nitrite
SubFP186 Thionitrite
SubFP187 Nitrate
SubFP188 Nitro
SubFP189 Nitroso
SubFP190 Azide
SubFP191 Acylazide
SubFP192 Diazo
SubFP193 Diazonium
SubFP194 Nitrosamine
SubFP195 Nitrosamide
SubFP196 N-Oxide
SubFP197 Hydrazine
SubFP198 Hydrazone
SubFP199 Hydroxylamine
SubFP200 Sulfon
SubFP201 Sulfoxide
SubFP202 Sulfonium
SubFP203 Sulfuric acid
SubFP204 Sulfuric monoester
SubFP205 Sulfuric diester
SubFP206 Sulfuric monoamide
SubFP207 Sulfuric diamide
SubFP208 Sulfuric esteramide
SubFP209 Sulfuric derivative
SubFP210 Sulfonic acid
SubFP211 Sulfonamide
SubFP212 Sulfonic ester
SubFP213 Sulfonic halide
SubFP214 Sulfonic derivative
SubFP215 Sulfinic acid
SubFP216 Sulfinic amide
SubFP217 Sulfinic ester
SubFP218 Sulfinic halide
SubFP219 Sulfinic derivative
SubFP220 Sulfenic acid
SubFP221 Sulfenic amide
SubFP222 Sulfenic ester
SubFP223 Sulfenic halide
SubFP224 Sulfenic derivative
SubFP225 Phosphine
SubFP226 Phosphine oxide
SubFP227 Phosphonium
SubFP228 Phosphorylen
SubFP229 Phosphonic acid
SubFP230 Phosphonic monoester
SubFP231 Phosphonic diester
SubFP232 Phosphonic monoamide
SubFP233 Phosphonic diamide
SubFP234 Phosphonic esteramide
SubFP235 Phosphonic acid derivative
SubFP236 Phosphoric acid
SubFP237 Phosphoric monoester
SubFP238 Phosphoric diester
SubFP239 Phosphoric triester
SubFP240 Phosphoric monoamide
SubFP241 Phosphoric diamide
SubFP242 Phosphoric triamide
SubFP243 Phosphoric monoestermonoamide
SubFP244 Phosphoric diestermonoamide
SubFP245 Phosphoric monoesterdiamide
SubFP246 Phosphoric acid derivative
SubFP247 Phosphinic acid
SubFP248 Phosphinic ester
SubFP249 Phosphinic amide
SubFP250 Phosphinic acid derivative
SubFP251 Phosphonous acid
SubFP252 Phosphonous monoester
SubFP253 Phosphonous diester
SubFP254 Phosphonous monoamide
SubFP255 Phosphonous diamide
SubFP256 Phosphonous esteramide
SubFP257 Phosphonous derivatives
SubFP258 Phosphinous acid
SubFP259 Phosphinous ester
SubFP260 Phosphinous amide
SubFP261 Phosphinous derivatives
SubFP262 Quart silane
SubFP263 Non-quart silane
SubFP264 Silylmonohalide
SubFP265 Het trialkylsilane
SubFP266 Dihet dialkylsilane
SubFP267 Trihet alkylsilane
SubFP268 Silicic acid derivative
SubFP269 Trialkylborane
SubFP270 Boric acid derivatives
SubFP271 Boronic acid derivative
SubFP272 Borohydride
SubFP273 Quaternary boron
SubFP274 Aromatic
SubFP275 Heterocyclic
SubFP276 Epoxide
SubFP277 NH aziridine
SubFP278 Spiro
SubFP279 Annelated rings
SubFP280 Bridged rings
SubFP281 Sugar pattern 1
SubFP282 Sugar pattern 2
SubFP283 Sugar pattern combi
SubFP284 Sugar pattern 2 reducing
SubFP285 Sugar pattern 2 alpha
SubFP286 Sugar pattern 2 beta
SubFP287 Conjugated double bond
SubFP288 Conjugated tripple bond
SubFP289 Cis double bond
SubFP290 Trans double bond
SubFP291 Mixed anhydrides
SubFP292 Halogen on hetero
SubFP293 Halogen multi subst
SubFP294 Trifluoromethyl
SubFP295 C ONS bond
SubFP296 Charged
SubFP297 Anion
SubFP298 Kation
SubFP299 Salt
SubFP300 1,3-Tautomerizable
SubFP301 1,5-Tautomerizable
SubFP302 Rotatable bond
SubFP303 Michael acceptor
SubFP304 Dicarbodiazene
SubFP305 CH-acidic
SubFP306 CH-acidic strong
SubFP307 Chiral center specified
SMARTS
[CX4H3][#6]
[CX4H2]([#6])[#6]
[CX4H1]([#6])([#6])[#6]
[CX4]([#6])([#6])([#6])[#6]
[CX3;$([H2]),$([H1][#6]),$(C([#6])[#6])]=[CX3;$([H2]),$([H1][#6]),$(C([#6])[#6])]
[CX2]#[CX2]
[CX3]=[CX2]=[CX3]
[ClX1][CX4]
[FX1][CX4]
[BrX1][CX4]
[IX1][CX4]
[OX2H][CX4;!$(C([OX2H])[O,S,#7,#15])]
[OX2H][CX4H2;!$(C([OX2H])[O,S,#7,#15])]
[OX2H][CX4H;!$(C([OX2H])[O,S,#7,#15])]
[OX2H][CX4D4;!$(C([OX2H])[O,S,#7,#15])]
[OX2]([CX4;!$(C([OX2])[O,S,#7,#15,F,Cl,Br,I])])[CX4;!$(C([OX2])[O,S,#7,#15])]
[SX2]([CX4;!$(C([OX2])[O,S,#7,#15,F,Cl,Br,I])])[CX4;!$(C([OX2])[O,S,#7,#15])]
[OX2](c)[CX4;!$(C([OX2])[O,S,#7,#15,F,Cl,Br,I])]
[c][OX2][c]
[SX2](c)[CX4;!$(C([OX2])[O,S,#7,#15,F,Cl,Br,I])]
[c][SX2][c]
[O+;!$([O]~[!#6]);!$([S]*~[#7,#8,#15,#16])]
[NX3+0,NX4+;!$([N]~[!#6]);!$([N]*~[#7,#8,#15,#16])]
[NX3H2+0,NX4H3+;!$([N][!C]);!$([N]*~[#7,#8,#15,#16])]
[NX3H1+0,NX4H2+;!$([N][!C]);!$([N]*~[#7,#8,#15,#16])]
[NX3H0+0,NX4H1+;!$([N][!C]);!$([N]*~[#7,#8,#15,#16])]
[NX4H0+;!$([N][!C]);!$([N]*~[#7,#8,#15,#16])]
[NX3H2+0,NX4H3+]c
[NX3H1+0,NX4H2+;!$([N][!c]);!$([N]*~[#7,#8,#15,#16])]
[NX3H0+0,NX4H1+;!$([N][!c]);!$([N]*~[#7,#8,#15,#16])]
[NX4H0+;!$([N][!c]);!$([N]*~[#7,#8,#15,#16])]
[NX3H1+0,NX4H2+;$([N]([c])[C]);!$([N]*~[#7,#8,#15,#16])]
[NX3H0+0,NX4H1+;$([N]([c])([C])[#6]);!$([N]*~[#7,#8,#15,#16])]
[NX4H0+;$([N]([c])([C])[#6][#6]);!$([N]*~[#7,#8,#15,#16])]
[N+;!$([N]~[!#6]);!$(N=*);!$([N]*~[#7,#8,#15,#16])]
[SX2H][CX4;!$(C([SX2H])~[O,S,#7,#15])]
[SX2]([CX4;!$(C([SX2])[O,S,#7,#15,F,Cl,Br,I])])[CX4;!$(C([SX2])[O,S,#7,#15])]
[SX2](c)[CX4;!$(C([SX2])[O,S,#7,#15])]
[SX2D2][SX2D2]
[OX2H][CX4;!$(C([OX2H])[O,S,#7,#15,F,Cl,Br,I])][CX4;!$(C([N])[O,S,#7,#15])][NX3;!$(NC=[O,S,N])]
[OX2H][CX4;!$(C([OX2H])[O,S,#7,#15])][CX4;!$(C([OX2H])[O,S,#7,#15])][OX2H]
[OX2H][CX4;!$(C([OX2H])([OX2H])[O,S,#7,#15])][OX2H]
[OX2H][OX2]
[OX2D2][OX2D2]
[LiX1][#6,#14]
[MgX2][#6,#14]
[!#1;!#5;!#6;!#7;!#8;!#9;!#14;!#15;!#16;!#17;!#33;!#34;!#35;!#52;!#53;!#85]~[#6;!-]
[$([CX3H][#6]),$([CX3H2])]=[OX1]
[#6][CX3](=[OX1])[#6]
[$([CX3H][#6]),$([CX3H2])]=[SX1]
[#6][CX3](=[SX1])[#6]
[NX2;$([N][#6]),$([NH]);!$([N][CX3]=[#7,#8,#15,#16])]=[CX3;$([CH2]),$([CH][#6]),$([C]([#6])[#6])]
[NX3+;!$([N][!#6]);!$([N][CX3]=[#7,#8,#15,#16])]
[NX2](=[CX3;$([CH2]),$([CH][#6]),$([C]([#6])[#6])])[OX2H]
[NX2](=[CX3;$([CH2]),$([CH][#6]),$([C]([#6])[#6])])[OX2][#6;!$(C=[#7,#8])]
[OX2]([#6;!$(C=[O,S,N])])[CX4;!$(C(O)(O)[!#6])][OX2][#6;!$(C=[O,S,N])]
[OX2H][CX4;!$(C(O)(O)[!#6])][OX2][#6;!$(C=[O,S,N])]
[NX3v3;!$(NC=[#7,#8,#15,#16])]([#6])[CX4;!$(C(N)(N)[!#6])][NX3v3;!$(NC=[#7,#8,#15,#16])][#6]
[NX3v3;!$(NC=[#7,#8,#15,#16])]([#6])[CX4;!$(C(N)(N)[!#6])][OX2H]
[SX2]([#6;!$(C=[O,S,N])])[CX4;!$(C(S)(S)[!#6])][SX2][#6;!$(C=[O,S,N])]
[SX2]([#6;!$(C=[O,S,N])])[CX4;!$(C(S)(S)[!#6])][OX2H]
[NX3v3,SX2,OX2;!$(*C=[#7,#8,#15,#16])][CX4;!$(C([N,S,O])([N,S,O])[!#6])][FX1,ClX1,BrX1,IX1]
[NX3v3,SX2,OX2;!$(*C=[#7,#8,#15,#16])][CX4;!$(C([N,S,O])([N,S,O])[!#6])][FX1,ClX1,BrX1,IX1,NX3v3,SX2,OX2;!$(*C=[#7,#8,
[NX3v3,SX2,OX2;$(**=[#7,#8,#15,#16])][CX4;!$(C([N,S,O])([N,S,O])[!#6])][FX1,ClX1,BrX1,IX1]
[NX3v3,SX2,OX2;$(**=[#7,#8,#15,#16])][CX4;!$(C([N,S,O])([N,S,O])[!#6])][NX3v3,SX2,OX2;!$(*C=[#7,#8,#15,#16])]
[NX3v3,SX2,OX2;$(**=[#7,#8,#15,#16])][CX4;!$(C([N,S,O])([N,S,O])[!#6])][FX1,ClX1,BrX1,IX1,NX3v3,SX2,OX2;!$(*C=[#7,#8,#
[NX1]#[CX2][CX4;$([CH2]),$([CH]([CX2])[#6]),$(C([CX2])([#6])[#6])][OX2H]
[ClX1][CX3]=[CX3]
[FX1][CX3]=[CX3]
[BrX1][CX3]=[CX3]
[IX1][CX3]=[CX3]
[OX2H][CX3;$([H1]),$(C[#6])]=[CX3]
[OX2H][CX3;$([H1]),$(C[#6])]=[CX3;$([H1]),$(C[#6])][OX2H]
[OX2]([#6;!$(C=[N,O,S])])[CX3;$([H0][#6]),$([H1])]=[CX3]
[OX2]([CX3]=[OX1])[#6X3;$([#6][#6]),$([H1])]=[#6X3;!$(C[OX2H])]
[NX3;$([NH2][CX3]),$([NH1]([CX3])[#6]),$([N]([CX3])([#6])[#6]);!$([N]*=[#7,#8,#15,#16])][CX3;$([CH]),$([C][#6])]=[CX3]
[SX2H][CX3;$([H1]),$(C[#6])]=[CX3]
[SX2]([#6;!$(C=[N,O,S])])[CX3;$(C[#6]),$([CH])]=[CX3]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[ClX1]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[FX1]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[BrX1]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[IX1]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[FX1,ClX1,BrX1,IX1]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[$([OX2H]),$([OX1-])]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[OX2][#6;!$(C=[O,N,S])]
[#6][#6X3R](=[OX1])[#8X2][#6;!$(C=[O,N,S])]
[CX3;$([H0][#6]),$([H1])](=[OX1])[#8X2][CX3;$([H0][#6]),$([H1])](=[OX1])
[$([#6X3H0][#6]),$([#6X3H])](=[!#6])[!#6]
[CX3;!R;$([C][#6]),$([CH]);$([C](=[OX1])[$([SX2H]),$([SX1-])]),$([C](=[SX1])[$([OX2H]),$([OX1-])])]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[SX2][#6;!$(C=[O,N,S])]
[#6][#6X3R](=[OX1])[#16X2][#6;!$(C=[O,N,S])]
[CX3;$([H0][#6]),$([H1])](=[SX1])[OX2][#6;!$(C=[O,N,S])]
[#6][#6X3R](=[SX1])[#8X2][#6;!$(C=[O,N,S])]
[CX3;$([H0][#6]),$([H1])](=[SX1])[FX1,ClX1,BrX1,IX1]
[CX3;!R;$([C][#6]),$([CH]);$([C](=[SX1])[SX2H])]
[CX3;!R;$([C][#6]),$([CH]);$([C](=[SX1])[SX2][#6;!$(C=[O,N,S])])]
[#6][#6X3R](=[SX1])[#16X2][#6;!$(C=[O,N,S])]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[NX3H2]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[#7X3H1][#6;!$(C=[O,N,S])]
[CX3;$([R0][#6]),$([H1R0])](=[OX1])[#7X3H0]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])]
[#6R][#6X3R](=[OX1])[#7X3;$([H1][#6;!$(C=[O,N,S])]),$([H0]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
[#6X3;$([H0][#6]),$([H1])](=[OX1])[#7X3H0]([#6])[#6X3;$([H0][#6]),$([H1])](=[OX1])
[#6X3;$([H0][#6]),$([H1])](=[OX1])[#7X3H0]([!#6])[#6X3;$([H0][#6]),$([H1])](=[OX1])
[#6X3;$([H0][#6]),$([H1])](=[OX1])[#7X3H1][#6X3;$([H0][#6]),$([H1])](=[OX1])
[$([CX3;!R][#6]),$([CX3H;!R])](=[SX1])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
[#6R][#6X3R](=[SX1])[#7X3;$([H1][#6;!$(C=[O,N,S])]),$([H0]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
[#6X3;$([H0][#6]),$([H1])](=[OX1])[#8X2][#7X2]=,:[#6X3;$([H0]([#6])[#6]),$([H1][#6]),$([H2])]
[NX3;!$(NC=[O,S])][CX3;$([CH]),$([C][#6])]=[NX2;!$(NC=[O,S])]
[CX3;$([H0][#6]),$([H1])](=[OX1])[#7X3;$([H1]),$([H0][#6;!$(C=[O,N,S])])][$([OX2H]),$([OX1-])]
[CX3;$([H0][#6]),$([H1])](=[OX1])[#7X3;$([H1]),$([H0][#6;!$(C=[O,N,S])])][OX2][#6;!$(C=[O,N,S])]
[CX3R0;$([H0][#6]),$([H1])](=[NX2;$([H1]),$([H0][#6;!$(C=[O,N,S])])])[$([OX2H]),$([OX1-])]
[#6R][#6X3R](=,:[#7X2;$([H1]),$([H0][#6;!$(C=[O,N,S])])])[$([OX2H]),$([OX1-])]
[CX3R0;$([H0][#6]),$([H1])](=[NX2;$([H1]),$([H0][#6;!$(C=[O,N,S])])])[OX2][#6;!$(C=[O,N,S])]
[#6R][#6X3R](=,:[#7X2;$([H1]),$([H0][#6;!$(C=[O,N,S])])])[OX2][#6;!$(C=[O,N,S])]
[CX3R0;$([H0][#6]),$([H1])](=[NX2;$([H1]),$([H0][#6;!$(C=[O,N,S])])])[$([SX2H]),$([SX1-])]
[#6R][#6X3R](=,:[#7X2;$([H1]),$([H0][#6;!$(C=[O,N,S])])])[$([SX2H]),$([SX1-])]
[CX3R0;$([H0][#6]),$([H1])](=[NX2;$([H1]),$([H0][#6;!$(C=[O,N,S])])])[SX2][#6;!$(C=[O,N,S])]
[#6R][#6X3R](=,:[#7X2;$([H1]),$([H0][#6;!$(C=[O,N,S])])])[SX2][#6;!$(C=[O,N,S])]
[#7X3v3;!$(N([#6X3]=[#7X2])C=[O,S])][CX3R0;$([H1]),$([H0][#6])]=[NX2v3;!$(N(=[#6X3][#7X3])C=[O,S])]
[#6][#6X3R;$([H0](=[NX2;!$(N(=[#6X3][#7X3])C=[O,S])])[#7X3;!$(N([#6X3]=[#7X2])C=[O,S])]),$([H0](-[NX3;!$(N([#6X3]=[#7X2]
[CX3R0;$([H0][#6]),$([H1])](=[NX2;$([H1]),$([H0][#6;!$(C=[O,N,S])])])[FX1,ClX1,BrX1,IX1]
[#6R][#6X3R](=,:[#7X2;$([H1]),$([H0][#6;!$(C=[O,N,S])])])[FX1,ClX1,BrX1,IX1]
[$([$([#6X3][#6]),$([#6X3H])](=[#7X2v3])[#7X3v3][#7X3v3]),$([$([#6X3][#6]),$([#6X3H])]([#7X3v3])=[#7X2v3][#7X3v3])]
[NX3,NX4+;!$([N]~[!#6]);!$([N]*~[#7,#8,#15,#16])][C][CX3](=[OX1])[OX2H,OX1-]
[OX2H][C][CX3](=[OX1])[OX2H,OX1-]
[NX3;$([N][CX3](=[OX1])[C][NX3,NX4+])][C][CX3](=[OX1])[NX3;$([N][C][CX3](=[OX1])[NX3,OX2,OX1-])]
[NX3;$([N][CX3](=[OX1])[C][NX3,NX4+])][C][CX3](=[OX1])[OX2H,OX1-]
[NX3,NX4+;!$([N]~[!#6]);!$([N]*~[#7,#8,#15,#16])][C][CX3](=[OX1])[NX3;$([N][C][CX3](=[OX1])[NX3,OX2,OX1-])]
[#6][OX2][CX4;$(C[#6]),$([CH])]([OX2][#6])[OX2][#6]
[CX3]=[CX2]=[OX1]
[#7X2,#8X3,#16X2;$(*[#6,#14])][#6X3]([#7X2,#8X3,#16X2;$(*[#6,#14])])=[#6X3]
[NX1]#[CX2]
[CX1-]#[NX2+]
[#6X3](=[OX1])[#6X3]=,:[#6X3][#7,#8,#16,F,Cl,Br,I]
[#6X3](=[OX1])[#6X3]=,:[#6X3][$([OX2H]),$([OX1-])]
[#6X3](=[OX1])[#6X3]=,:[#6X3][#6;!$(C=[O,N,S])]
[#6X3](=[OX1])[#6X3]=,:[#6X3][#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
[#6X3](=[OX1])[#6X3]=,:[#6X3][FX1,ClX1,BrX1,IX1]
[#6;!$(C=[O,N,S])][#8X2][#6X3](=[OX1])[#8X2][#6;!$(C=[O,N,S])]
[#6;!$(C=[O,N,S])][OX2;!R][CX3](=[OX1])[OX2][FX1,ClX1,BrX1,IX1]
[#6;!$(C=[O,N,S])][OX2;!R][CX3](=[OX1])[$([OX2H]),$([OX1-])]
[!#6][#6X3](=[!#6])[!#6]
[#6;!$(C=[O,N,S])][#8X2][#6X3](=[SX1])[#8X2][#6;!$(C=[O,N,S])]
[#6;!$(C=[O,N,S])][OX2;!R][CX3](=[SX1])[OX2][FX1,ClX1,BrX1,IX1]
[#6;!$(C=[O,N,S])][OX2;!R][CX3](=[SX1])[$([OX2H]),$([OX1-])]
[#7X3;!$([#7][!#6])][#6X3](=[OX1])[#7X3;!$([#7][!#6])]
[#7X3;!$([#7][!#6])][#6X3](=[SX1])[#7X3;!$([#7][!#6])]
[#7X2;!$([#7][!#6])]=,:[#6X3]([#8X2&!$([#8][!#6]),OX1-])[#7X3;!$([#7][!#6])]
[#7X2;!$([#7][!#6])]=,:[#6X3]([#16X2&!$([#16][!#6]),SX1-])[#7X3;!$([#7][!#6])]
[N;v3X3,v4X4+][CX3](=[N;v3X2,v4X3+])[N;v3X3,v4X4+]
[NX3]C(=[OX1])[O;X2H,X1-]
[#7X3][#6](=[OX1])[#8X2][#6]
[#7X3][#6](=[OX1])[#7X3][#6](=[OX1])[#7X3]
[#7X3][#7X3][#6X3]([#7X3;!$([#7][#7])])=[OX1]
[#7X3][#7X3][#6X3]([#7X3][#7X3])=[OX1]
[#7X2](=[#6])[#7X3][#6X3]([#7X3;!$([#7][#7])])=[OX1]
[#7X2](=[#6])[#7X3][#6X3]([#7X3][#7X3])=[OX1]
[#7X3][#7X3][#6X3]([#7X3;!$([#7][#7])])=[SX1]
[#7X3][#7X3][#6X3]([#7X3][#7X3])=[SX1]
[#7X2](=[#6])[#7X3][#6X3]([#7X3;!$([#7][#7])])=[SX1]
[#7X2](=[#6])[#7X3][#6X3]([#7X3][#7X3])=[SX1]
[NX2]=[CX2]=[OX1]
[OX2][CX2]#[NX1]
[NX2]=[CX2]=[SX1]
[SX2][CX2]#[NX1]
[NX2]=[CX2]=[NX2]
[CX4H0]([O,S,#7])([O,S,#7])([O,S,#7])[O,S,#7,F,Cl,Br,I]
[OX2H][c]
[OX2H][c][c][OX2H]
[Cl][c]
[F][c]
[Br][c]
[I][c]
[SX2H][c]
[c]=[NX2;$([H1]),$([H0][#6;!$([C]=[N,S,O])])]
[c]=[OX1]
[c]=[SX1]
[nX3H1+0]
[nX3H0+0]
[nX2,nX3+]
[o]
[sX2]
[a;!c]
[NX2](=[OX1])[O;$([X2]),$([X1-])]
[SX2][NX2]=[OX1]
[$([NX3](=[OX1])(=[OX1])[O;$([X2]),$([X1-])]),$([NX3+]([OX1-])(=[OX1])[O;$([X2]),$([X1-])])]
[$([NX3](=O)=O),$([NX3+](=O)[O-])][!#8]
[NX2](=[OX1])[!#7;!#8]
[NX1]~[NX2]~[NX2,NX1]
[CX3](=[OX1])[NX2]~[NX2]~[NX1]
[$([#6]=[NX2+]=[NX1-]),$([#6-]-[NX2+]#[NX1])]
[#6][NX2+]#[NX1]
[#7;!$(N*=O)][NX2]=[OX1]
[NX2](=[OX1])N-*=O
[$([#7+][OX1-]),$([#7v5]=[OX1]);!$([#7](~[O])~[O]);!$([#7]=[#7])]
[NX3;$([H2]),$([H1][#6]),$([H0]([#6])[#6]);!$(NC=[O,N,S])][NX3;$([H2]),$([H1][#6]),$([H0]([#6])[#6]);!$(NC=[O,N,S])]
[NX3;$([H2]),$([H1][#6]),$([H0]([#6])[#6]);!$(NC=[O,N,S])][NX2]=[#6]
[NX3;$([H2]),$([H1][#6]),$([H0]([#6])[#6]);!$(NC=[O,N,S])][OX2;$([H1]),$(O[#6;!$(C=[N,O,S])])]
[$([SX4](=[OX1])(=[OX1])([#6])[#6]),$([SX4+2]([OX1-])([OX1-])([#6])[#6])]
[$([SX3](=[OX1])([#6])[#6]),$([SX3+]([OX1-])([#6])[#6])]
[S+;!$([S]~[!#6]);!$([S]*~[#7,#8,#15,#16])]
[SX4](=[OX1])(=[OX1])([$([OX2H]),$([OX1-])])[$([OX2H]),$([OX1-])]
[SX4](=[OX1])(=[OX1])([$([OX2H]),$([OX1-])])[OX2][#6;!$(C=[O,N,S])]
[SX4](=[OX1])(=[OX1])([OX2][#6;!$(C=[O,N,S])])[OX2][#6;!$(C=[O,N,S])]
[SX4](=[OX1])(=[OX1])([#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])])[$([OX2H]),$([OX1
[SX4](=[OX1])(=[OX1])([#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])])[#7X3;$([H2]),$([H
[SX4](=[OX1])(=[OX1])([#7X3][#6;!$(C=[O,N,S])])[OX2][#6;!$(C=[O,N,S])]
[SX4D4](=[!#6])(=[!#6])([!#6])[!#6]
[SX4;$([H1]),$([H0][#6])](=[OX1])(=[OX1])[$([OX2H]),$([OX1-])]
[SX4;$([H1]),$([H0][#6])](=[OX1])(=[OX1])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
[SX4;$([H1]),$([H0][#6])](=[OX1])(=[OX1])[OX2][#6;!$(C=[O,N,S])]
[SX4;$([H1]),$([H0][#6])](=[OX1])(=[OX1])[FX1,ClX1,BrX1,IX1]
[SX4;$([H1]),$([H0][#6])](=[!#6])(=[!#6])[!#6]
[SX3;$([H1]),$([H0][#6])](=[OX1])[$([OX2H]),$([OX1-])]
[SX3;$([H1]),$([H0][#6])](=[OX1])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
[SX3;$([H1]),$([H0][#6])](=[OX1])[OX2][#6;!$(C=[O,N,S])]
[SX3;$([H1]),$([H0][#6])](=[OX1])[FX1,ClX1,BrX1,IX1]
[SX3;$([H1]),$([H0][#6])](=[!#6])[!#6]
[SX2;$([H1]),$([H0][#6])][$([OX2H]),$([OX1-])]
[SX2;$([H1]),$([H0][#6])][#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
[SX2;$([H1]),$([H0][#6])][OX2][#6;!$(C=[O,N,S])]
[SX2;$([H1]),$([H0][#6])][FX1,ClX1,BrX1,IX1]
[SX2;$([H1]),$([H0][#6])][!#6]
[PX3;$([H3]),$([H2][#6]),$([H1]([#6])[#6]),$([H0]([#6])([#6])[#6])]
[PX4;$([H3]=[OX1]),$([H2](=[OX1])[#6]),$([H1](=[OX1])([#6])[#6]),$([H0](=[OX1])([#6])([#6])[#6])]
[P+;!$([P]~[!#6]);!$([P]*~[#7,#8,#15,#16])]
[PX4;$([H3]=[CX3]),$([H2](=[CX3])[#6]),$([H1](=[CX3])([#6])[#6]),$([H0](=[CX3])([#6])([#6])[#6])]
[PX4;$([H1]),$([H0][#6])](=[OX1])([$([OX2H]),$([OX1-])])[$([OX2H]),$([OX1-])]
[PX4;$([H1]),$([H0][#6])](=[OX1])([$([OX2H]),$([OX1-])])[OX2][#6;!$(C=[O,N,S])]
[PX4;$([H1]),$([H0][#6])](=[OX1])([OX2][#6;!$(C=[O,N,S])])[OX2][#6;!$(C=[O,N,S])]
[PX4;$([H1]),$([H0][#6])](=[OX1])([$([OX2H]),$([OX1-])])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$
[PX4;$([H1]),$([H0][#6])](=[OX1])([#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])])[#7X3;$
[PX4;$([H1]),$([H0][#6])](=[OX1])([OX2][#6;!$(C=[O,N,S])])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6
[PX4;$([H1]),$([H0][#6])](=[!#6])([!#6])[!#6]
[PX4D4](=[OX1])([$([OX2H]),$([OX1-])])([$([OX2H]),$([OX1-])])[$([OX2H]),$([OX1-])]
[PX4D4](=[OX1])([$([OX2H]),$([OX1-])])([$([OX2H]),$([OX1-])])[OX2][#6;!$(C=[O,N,S])]
[PX4D4](=[OX1])([$([OX2H]),$([OX1-])])([OX2][#6;!$(C=[O,N,S])])[OX2][#6;!$(C=[O,N,S])]
[PX4D4](=[OX1])([OX2][#6;!$(C=[O,N,S])])([OX2][#6;!$(C=[O,N,S])])[OX2][#6;!$(C=[O,N,S])]
[PX4D4](=[OX1])([$([OX2H]),$([OX1-])])([$([OX2H]),$([OX1-])])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])
[PX4D4](=[OX1])([$([OX2H]),$([OX1-])])([#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])])[
[PX4D4](=[OX1])([#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])])([#7X3;$([H2]),$([H1][#6
[PX4D4](=[OX1])([$([OX2H]),$([OX1-])])([OX2][#6;!$(C=[O,N,S])])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S
[PX4D4](=[OX1])([OX2][#6;!$(C=[O,N,S])])([OX2][#6;!$(C=[O,N,S])])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,
[PX4D4](=[OX1])([OX2][#6;!$(C=[O,N,S])])([#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])]
[PX4D4](=[!#6])([!#6])([!#6])[!#6]
[PX4;$([H2]),$([H1][#6]),$([H0]([#6])[#6])](=[OX1])[$([OX2H]),$([OX1-])]
[PX4;$([H2]),$([H1][#6]),$([H0]([#6])[#6])](=[OX1])[OX2][#6;!$(C=[O,N,S])]
[PX4;$([H2]),$([H1][#6]),$([H0]([#6])[#6])](=[OX1])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O
[PX4;$([H2]),$([H1][#6]),$([H0]([#6])[#6])](=[!#6])[!#6]
[PX3;$([H1]),$([H0][#6])]([$([OX2H]),$([OX1-])])[$([OX2H]),$([OX1-])]
[PX3;$([H1]),$([H0][#6])]([$([OX2H]),$([OX1-])])[OX2][#6;!$(C=[O,N,S])]
[PX3;$([H1]),$([H0][#6])]([OX2][#6;!$(C=[O,N,S])])[OX2][#6;!$(C=[O,N,S])]
[PX3;$([H1]),$([H0][#6])]([$([OX2H]),$([OX1-])])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N
[PX3;$([H1]),$([H0][#6])]([#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])])[#7X3;$([H2]),$(
[PX3;$([H1]),$([H0][#6])]([OX2][#6;!$(C=[O,N,S])])[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O
[PX3;$([D2]),$([D3][#6])]([!#6])[!#6]
[PX3;$([H2]),$([H1][#6]),$([H0]([#6])[#6])][$([OX2H]),$([OX1-])]
[PX3;$([H2]),$([H1][#6]),$([H0]([#6])[#6])][OX2][#6;!$(C=[O,N,S])]
[PX3;$([H2]),$([H1][#6]),$([H0]([#6])[#6])][#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
[PX3;$([H2]),$([H1][#6]),$([H0]([#6])[#6])][!#6]
[SiX4]([#6])([#6])([#6])[#6]
[SiX4;$([H1]([#6])([#6])[#6]),$([H2]([#6])[#6]),$([H3][#6]),$([H4])]
[SiX4]([FX1,ClX1,BrX1,IX1])([#6])([#6])[#6]
[SiX4]([!#6])([#6])([#6])[#6]
[SiX4]([!#6])([!#6])([#6])[#6]
[SiX4]([!#6])([!#6])([!#6])[#6]
[SiX4]([!#6])([!#6])([!#6])[!#6]
[BX3]([#6])([#6])[#6]
[BX3]([!#6])([!#6])[!#6]
[BX3]([!#6])([!#6])[!#6]
[BH1,BH2,BH3,BH4]
[BX4]
a
[!#6;!R0]
[OX2r3]1[#6r3][#6r3]1
[NX3H1r3]1[#6r3][#6r3]1
[D4R;$(*(@*)(@*)(@*)@*)]
[R;$(*(@*)(@*)@*);!$([R2;$(*(@*)(@*)(@*)@*)])]@[R;$(*(@*)(@*)@*);!$([R2;$(*(@*)(@*)(@*)@*)])]
[R;$(*(@*)(@*)@*);!$([D4R;$(*(@*)(@*)(@*)@*)]);!$([R;$(*(@*)(@*)@*);!$([R2;$(*(@*)(@*)(@*)@*)])]@[R;$(*(@*)(@*)@*);!$
[OX2;$([r5]1@C@C@C(O)@C1),$([r6]1@C@C@C(O)@C(O)@C1)]
[OX2;$([r5]1@C(!@[OX2,NX3,SX2,FX1,ClX1,BrX1,IX1])@C@C@C1),$([r6]1@C(!@[OX2,NX3,SX2,FX1,ClX1,BrX1,IX1])@C@
[OX2;$([r5]1@C(!@[OX2,NX3,SX2,FX1,ClX1,BrX1,IX1])@C@C(O)@C1),$([r6]1@C(!@[OX2,NX3,SX2,FX1,ClX1,BrX1,IX1])@
[OX2;$([r5]1@C(!@[OX2H1])@C@C@C1),$([r6]1@C(!@[OX2H1])@C@C@C@C1)]
[OX2;$([r5]1@[C@@](!@[OX2,NX3,SX2,FX1,ClX1,BrX1,IX1])@C@C@C1),$([r6]1@[C@@](!@[OX2,NX3,SX2,FX1,ClX1,BrX
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[FX1,ClX1,BrX1,IX1][!#6]
[F,Cl,Br,I;!$([X1]);!$([X0-])]
[FX1][CX4;!$([H0][Cl,Br,I]);!$([F][C]([F])([F])[F])]([FX1])([FX1])
[#6]~[#7,#8,#16]
[!+0]
[-1,-2,-3,-4,-5,-6,-7]
[+1,+2,+3,+4,+5,+6,+7]
([-1,-2,-3,-4,-5,-6,-7]).([+1,+2,+3,+4,+5,+6,+7])
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[!$(*#*)&!D1]-!@[!$(*#*)&!D1]
[CX3]=[CX3][$([CX3]=[O,N,S]),$(C#[N]),$([S,P]=[OX1]),$([NX3]=O),$([NX3+](=O)[O-])]
[CX3](=[OX1])[NX2]=[NX2][CX3](=[OX1])
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X2;!$(*C=[#7,#8,#15,#16])]
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$([OX2H]),$([OX1-])]
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(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
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#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
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S])])[#6;!$(C=[O,N,S])])]
)])[#6;!$(C=[O,N,S])])]
[#7X3;$([H2]),$([H1][#6;!$(C=[O,N,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
,S])])[#6;!$(C=[O,N,S])])]
$(C=[O,N,S])])]
*(@*)(@*)@*);!$([R2;$(*(@*)(@*)(@*)@*)])])]
,BrX1,IX1])@C@C@C@C1)]
lX1,BrX1,IX1])@C@C(O)@C(O)@C1)]
2,FX1,ClX1,BrX1,IX1])@C@C@C@C1)]
X1,ClX1,BrX1,IX1])@C@C@C@C1)]
NX3+](=O)[O-]);!$(*[S,O,N;H1,H2]);!$([*+0][S,O;X1-])]),$([CX4;!$([H0])]1[CX3]=[CX3][CX3]=[CX3]1)]
3+](=O)[O-]);!$(*[S,O,N;H1,H2]);!$([*+0][S,O;X1-])])[$([CX3]=[O,N,S]),$(C#[N]),$([S,P]=[OX1]),$([NX3]=O),$([NX3+](=O)[O-]);!$(*[S,O,N;H1
,S])]),$([#7]([#6;!$(C=[O,N,S])])[#6;!$(C=[O,N,S])])]
+](=O)[O-]);!$(*[S,O,N;H1,H2]);!$([*+0][S,O;X1-])]
Bit
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KR4656
KR4657
KR4658
KR4659
KR4660
KR4661
KR4662
KR4663
KR4664
KR4665
KR4666
KR4667
KR4668
KR4669
KR4670
KR4671
KR4672
KR4673
KR4674
KR4675
KR4676
KR4677
KR4678
KR4679
KR4680
KR4681
KR4682
KR4683
KR4684
KR4685
KR4686
KR4687
KR4688
KR4689
KR4690
KR4691
KR4692
KR4693
KR4694
KR4695
KR4696
KR4697
KR4698
KR4699
KR4700
KR4701
KR4702
KR4703
KR4704
KR4705
KR4706
KR4707
KR4708
KR4709
KR4710
KR4711
KR4712
KR4713
KR4714
KR4715
KR4716
KR4717
KR4718
KR4719
KR4720
KR4721
KR4722
KR4723
KR4724
KR4725
KR4726
KR4727
KR4728
KR4729
KR4730
KR4731
KR4732
KR4733
KR4734
KR4735
KR4736
KR4737
KR4738
KR4739
KR4740
KR4741
KR4742
KR4743
KR4744
KR4745
KR4746
KR4747
KR4748
KR4749
KR4750
KR4751
KR4752
KR4753
KR4754
KR4755
KR4756
KR4757
KR4758
KR4759
KR4760
KR4761
KR4762
KR4763
KR4764
KR4765
KR4766
KR4767
KR4768
KR4769
KR4770
KR4771
KR4772
KR4773
KR4774
KR4775
KR4776
KR4777
KR4778
KR4779
KR4780
KR4781
KR4782
KR4783
KR4784
KR4785
KR4786
KR4787
KR4788
KR4789
KR4790
KR4791
KR4792
KR4793
KR4794
KR4795
KR4796
KR4797
KR4798
KR4799
KR4800
KR4801
KR4802
KR4803
KR4804
KR4805
KR4806
KR4807
KR4808
KR4809
KR4810
KR4811
KR4812
KR4813
KR4814
KR4815
KR4816
KR4817
KR4818
KR4819
KR4820
KR4821
KR4822
KR4823
KR4824
KR4825
KR4826
KR4827
KR4828
KR4829
KR4830
KR4831
KR4832
KR4833
KR4834
KR4835
KR4836
KR4837
KR4838
KR4839
KR4840
KR4841
KR4842
KR4843
KR4844
KR4845
KR4846
KR4847
KR4848
KR4849
KR4850
KR4851
KR4852
KR4853
KR4854
KR4855
KR4856
KR4857
KR4858
KR4859
KR4860
SMARTS
[!#1][CH]([!#1])[!#1]
[!#1][CH]([!#1])[CH]([!#1])[!#1]
[!#1][CH]([!#1])[CH]([!#1])C([CH3])([CH3])[CH3]
[!#1][CH]([!#1])[CH](C(=O)O[CH3])C(=O)O[CH3]
[!#1][CH]([!#1])[CH]1[CH2][CH]([CH]([!#1])[!#1])[CH]([CH]1C(=O)[!#1])C(=O)[OH]
[!#1][CH]([!#1])[CH2][CH]([CH]([CH2][CH]([!#1])[!#1])C(=O)[!#1])C(=O)[!#1]
[!#1][CH]([!#1])[CH2][CH2][CH3]
[!#1][CH]([!#1])[CH2][CH2]C([!#1])([!#1])[CH3]
[!#1][CH]([!#1])[CH2]C(=N[NH]C(=S)[NH2])[CH2][CH3]
[!#1][CH]([!#1])[CH2]C(=O)[!#1]
[!#1][CH]([!#1])[CH2]C(=O)[CH2][CH3]
[!#1][CH]([!#1])[CH2]C(=O)[CH3]
[!#1][CH]([!#1])[CH2]N([!#1])[CH2][CH]([!#1])[!#1]
[!#1][CH]([!#1])[CH3]
[!#1][CH]([!#1])[N+](=O)[O-]
[!#1][CH]([!#1])[NH]C(=O)[!#1]
[!#1][CH]([!#1])[OH]
[!#1][CH]([!#1])C([!#1])([!#1])[!#1]
[!#1][CH]([!#1])C([!#1])([CH3])[CH3]
[!#1][CH]([!#1])C(=O)[!#1]
[!#1][CH]([!#1])C(=O)[CH]([!#1])[!#1]
[!#1][CH]([!#1])C(=O)[CH2]C([CH3])([CH3])[CH2]C([!#1])([!#1])[!#1]
[!#1][CH]([!#1])C(=O)[CH3]
[!#1][CH]([!#1])C(=O)[NH][NH]C(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH3]
[!#1][CH]([!#1])C(=O)[OH]
[!#1][CH]([!#1])C(=O)c1[cH][cH][cH][cH][cH]1
[!#1][CH]([!#1])C(=O)c1[cH][cH]c([!#1])[cH][cH]1
[!#1][CH]([!#1])C(=O)c1[cH][cH]c(Cl)[cH][cH]1
[!#1][CH]([!#1])C(=O)c1c([CH3])[cH]c([CH3])[nH]c1=O
[!#1][CH]([!#1])C(=O)c1c([CH3])[nH]c2[cH][cH][cH][cH]c12
[!#1][CH]([!#1])C(=O)c1c([OH])[cH]c([CH3])oc1=O
[!#1][CH]([!#1])C(=O)O[CH2][CH2]N([CH2][CH3])[CH2][CH3]
[!#1][CH]([!#1])c1[cH][cH][cH][cH][cH]1
[!#1][CH]([!#1])c1[cH][cH][cH][cH]c1[!#1]
[!#1][CH]([!#1])c1[cH][cH][cH][cH]c1[N+](=O)[O-]
[!#1][CH]([!#1])c1[cH][cH][cH][cH]c1[OH]
[!#1][CH]([!#1])c1[cH][cH][cH][cH]c1Cl
[!#1][CH]([!#1])c1[cH][cH][cH][cH]c1F
[!#1][CH]([!#1])c1[cH][cH][cH][cH]c1N([!#1])c2[cH][cH][cH][cH]c2[CH]([!#1])[!#1]
[!#1][CH]([!#1])c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1][CH]([!#1])c1[cH][cH][cH]c(Br)[cH]1
[!#1][CH]([!#1])c1[cH][cH][cH]n[cH]1
[!#1][CH]([!#1])c1[cH][cH][cH]o1
[!#1][CH]([!#1])c1[cH][cH][cH]s1
[!#1][CH]([!#1])c1[cH][cH]c([!#1])[cH][cH]1
[!#1][CH]([!#1])c1[cH][cH]c([!#1])o1
[!#1][CH]([!#1])c1[cH][cH]c([cH][cH]1)[CH]([!#1])[!#1]
[!#1][CH]([!#1])c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1][CH]([!#1])c1[cH][cH]c([cH][cH]1)N([!#1])[CH3]
[!#1][CH]([!#1])c1[cH][cH]c([CH3])[cH]c1[CH3]
[!#1][CH]([!#1])c1[cH][cH]c([CH3])o1
[!#1][CH]([!#1])c1[cH][cH]c([OH])[cH][cH]1
[!#1][CH]([!#1])c1[cH][cH]c(Br)[cH][cH]1
[!#1][CH]([!#1])c1[cH][cH]c(Cl)[cH][cH]1
[!#1][CH]([!#1])c1[cH][cH]c(Cl)[cH]c1Cl
[!#1][CH]([!#1])c1[cH][cH]c(F)[cH][cH]1
[!#1][CH]([!#1])c1[cH][cH]c2O[CH2]Oc2[cH]1
[!#1][CH]([!#1])c1[cH][cH]n[cH][cH]1
[!#1][CH]([!#1])c1[cH][nH]c2[cH][cH][cH][cH]c12
[!#1][CH]([!#1])c1[cH]c([!#1])nn1[!#1]
[!#1][CH]([!#1])c1[cH]c([cH][cH]c1[OH])[N+](=O)[O-]
[!#1][CH]([!#1])c1[cH]c(Br)[cH]c(Br)c1[OH]
[!#1][CH]([!#1])C1=C([OH])[CH2]C([CH3])([CH3])[CH2]C1=O
[!#1][CH]([!#1])c1c([OH])[cH][cH]c2[cH][cH][cH][cH]c12
[!#1][CH]([!#1])c1c2[cH][cH][cH][cH]c2[cH]c3[cH][cH][cH][cH]c13
[!#1][CH]([!#1])c1sc2[cH][cH][cH][cH]c2[n+]1[CH2][CH2][CH2]S(=O)(=O)[OH]
[!#1][CH]([!#1])N([!#1])[CH3]
[!#1][CH]([!#1])N([!#1])c1[cH][cH][cH][cH][cH]1
[!#1][CH]([!#1])N([CH3])[CH3]
[!#1][CH]([!#1])N1[CH2][CH2]O[CH2][CH2]1
[!#1][CH]([!#1])O[CH2][CH2]N([CH3])[CH3]
[!#1][CH]([!#1])OC(=O)[!#1]
[!#1][CH]([!#1])S(=O)(=O)[!#1]
[!#1][CH]([CH]([CH3])[CH3])C(=O)[OH]
[!#1][CH]([CH]=[CH]c1[cH][cH]c(Cl)[cH]c1Cl)C([CH3])([CH3])[CH3]
[!#1][CH]([CH2][CH2]C(=O)[OH])C(=O)[OH]
[!#1][CH]([CH2][CH2]S[CH3])C(=O)[OH]
[!#1][CH]([CH2][N+](=O)[O-])SC(=O)[CH3]
[!#1][CH]([CH2]C(=N[NH]C(=O)[!#1])[!#1])C(=O)[OH]
[!#1][CH]([CH2]C(=O)[!#1])C(=O)N([!#1])c1[cH][cH][cH][cH][cH]1
[!#1][CH]([CH2]C(=O)[!#1])C(=O)N([!#1])c1[cH][cH][cH]c([CH3])[cH]1
[!#1][CH]([CH2]C(=O)[!#1])C(=O)N([!#1])c1[cH][cH][cH]c(Br)[cH]1
[!#1][CH]([CH2]C(=O)[!#1])C(=O)N([!#1])c1[cH][cH][cH]c(Cl)[cH]1
[!#1][CH]([CH2]C(=O)[!#1])C(=O)N([!#1])c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1][CH]([CH2]C(=O)[!#1])C(=O)N([!#1])c1[cH][cH]c([cH][cH]1)C(=O)[OH]
[!#1][CH]([CH2]C(=O)[!#1])C(=O)N([!#1])c1[cH][cH]c(Br)[cH][cH]1
[!#1][CH]([CH2]C(=O)[!#1])C(=O)N([!#1])c1[cH][cH]c(Cl)[cH][cH]1
[!#1][CH]([CH2]C(=O)[NH2])C(=O)[OH]
[!#1][CH]([CH2]C(=O)[OH])[NH]C(=O)C(F)(F)F
[!#1][CH]([CH2]C(=O)[OH])C(=O)[OH]
[!#1][CH]([CH3])[CH2][CH3]
[!#1][CH]([CH3])[CH3]
[!#1][CH]([CH3])[NH]C(=O)[!#1]
[!#1][CH]([CH3])[NH]C(=O)[NH][CH2]C(=O)O[CH2][CH3]
[!#1][CH]([CH3])[NH]C(=S)[!#1]
[!#1][CH]([CH3])[NH]C(=S)[NH]C([!#1])([!#1])[!#1]
[!#1][CH]([CH3])[NH]S(=O)(=O)[!#1]
[!#1][CH]([CH3])C(=O)[!#1]
[!#1][CH]([CH3])C(=O)[OH]
[!#1][CH]([CH3])C(=O)O[CH2]C(=O)[!#1]
[!#1][CH]([CH3])c1[cH][cH][cH][cH][cH]1
[!#1][CH]([CH3])N([!#1])C(=O)[!#1]
[!#1][CH]([NH]C(=O)[!#1])[NH]C(=O)[!#1]
[!#1][CH]([NH]C(=O)[!#1])C(=O)[OH]
[!#1][CH]([NH]C(=O)[!#1])C(Br)(Br)Br
[!#1][CH]([NH]C(=O)[!#1])C(Cl)(Cl)Cl
[!#1][CH]([NH]C(=O)[CH2][CH2][CH2][CH2][CH3])C(Cl)(Cl)Cl
[!#1][CH]([NH]S(=O)(=O)[!#1])C(Cl)(Cl)Cl
[!#1][CH]([NH2])[CH2][CH3]
[!#1][CH]([NH2])[CH2]C(=O)[OH]
[!#1][CH]([NH2])C(=O)[OH]
[!#1][CH]([OH])[CH]([NH2])[CH2][OH]
[!#1][CH]([OH])[CH2][NH]C(=O)[!#1]
[!#1][CH]([OH])[CH2][NH2]
[!#1][CH]([OH])[CH2][OH]
[!#1][CH]([OH])C(=N[NH]C(=O)[!#1])[!#1]
[!#1][CH]([OH])C(Cl)(Cl)Cl
[!#1][CH]([OH])C(F)(F)F
[!#1][CH]([OH])c1[cH][cH][cH][cH][cH]1
[!#1][CH](C(=O)[CH3])C(=O)[CH3]
[!#1][CH](C(=O)O[CH2][CH3])C(=O)O[CH2][CH3]
[!#1][CH](C(=O)O[CH3])C(=O)O[CH3]
[!#1][CH](F)C(F)(F)F
[!#1][CH](F)OC(F)(F)F
[!#1][CH](OC(=O)[CH3])OC(=O)[CH3]
[!#1][CH]=[CH][!#1]
[!#1][CH]=[CH][CH]([!#1])C([CH3])([CH3])[CH3]
[!#1][CH]=[CH][CH]=C1SC(=S)N([!#1])C1=O
[!#1][CH]=[CH][CH]=N[!#1]
[!#1][CH]=[CH][CH]=N[NH]C(=O)[!#1]
[!#1][CH]=[CH]C(=N[NH]C(=O)[!#1])[!#1]
[!#1][CH]=[CH]C(=N[NH]C(=O)[!#1])[CH3]
[!#1][CH]=[CH]C(=O)[!#1]
[!#1][CH]=[CH]C(=O)[NH][NH]C(=O)[!#1]
[!#1][CH]=[CH]C(=O)[NH]C(=S)[!#1]
[!#1][CH]=[CH]C(=O)[OH]
[!#1][CH]=[CH]N([!#1])[CH3]
[!#1][CH]=[CH2]
[!#1][CH]=C([NH]C(=O)[!#1])C(=O)[!#1]
[!#1][CH]=C([NH]C(=O)[!#1])C(=O)[NH][CH2][CH2][CH2]N([CH3])[CH3]
[!#1][CH]=C(C#N)C#N
[!#1][CH]=C(C#N)C(=O)[NH2]
[!#1][CH]=C(C#N)C(=O)O[CH2][CH3]
[!#1][CH]=C(Cl)Cl
[!#1][CH]=C1[CH2]N([!#1])[CH2]C(=[CH][!#1])C1=O
[!#1][CH]=c1[nH]c(=O)c(=[CH][!#1])[nH]c1=O
[!#1][CH]=C1C(=NN(C1=O)c2[cH][cH]c([!#1])[cH][cH]2)[!#1]
[!#1][CH]=C1C(=O)[NH]C(=O)[NH]C1=O
[!#1][CH]=C1C(=O)[NH]C(=O)N([!#1])C1=O
[!#1][CH]=C1C(=O)[NH]C(=O)N(C1=O)c2[cH][cH][cH]c3[cH][cH][cH][cH]c23
[!#1][CH]=C1C(=O)c2[cH][cH][cH][cH]c2C1=O
[!#1][CH]=C1C(=O)N(N=C1c2[cH][cH][cH][cH][cH]2)c3[cH][cH]c([!#1])[cH][cH]3
[!#1][CH]=C1C(=O)OC([!#1])([CH3])OC1=O
[!#1][CH]=C1N=C(OC1=O)c2[cH][cH][cH][cH][cH]2
[!#1][CH]=C1OC(=O)c2c1[cH]c([!#1])[nH]c2=O
[!#1][CH]=C1SC(=N[!#1])[NH]C1=O
[!#1][CH]=C1SC(=O)N([!#1])C1=O
[!#1][CH]=C1SC(=S)[NH]C1=O
[!#1][CH]=C1SC(=S)N([!#1])C1=O
[!#1][CH]=C1SC(=S)N(C1=O)c2[cH][cH]c([!#1])[cH][cH]2
[!#1][CH]=N[!#1]
[!#1][CH]=N[CH]([!#1])[CH3]
[!#1][CH]=N[CH2][CH2][CH2][CH2][CH2][CH2]N=[CH][!#1]
[!#1][CH]=N[CH2][CH2][NH]C(=O)[!#1]
[!#1][CH]=N[CH2][CH2]N=[CH][!#1]
[!#1][CH]=N[NH]C(=[NH])[NH][N+](=O)[O-]
[!#1][CH]=N[NH]C(=[NH])[NH2]
[!#1][CH]=N[NH]C(=O)[!#1]
[!#1][CH]=N[NH]C(=O)[CH]([!#1])[CH3]
[!#1][CH]=N[NH]C(=O)[CH]([!#1])[NH]C(=O)[!#1]
[!#1][CH]=N[NH]C(=O)[CH]([!#1])[OH]
[!#1][CH]=N[NH]C(=O)[CH2][CH2][CH]([CH3])[OH]
[!#1][CH]=N[NH]C(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH3]
[!#1][CH]=N[NH]C(=O)[CH2][CH2][CH2][CH2][CH3]
[!#1][CH]=N[NH]C(=O)[CH2][NH]C(=O)[!#1]
[!#1][CH]=N[NH]C(=O)[CH2][OH]
[!#1][CH]=N[NH]C(=O)[CH2]C(=O)[NH]N=[CH][!#1]
[!#1][CH]=N[NH]C(=O)[NH2]
[!#1][CH]=N[NH]C(=O)C(=O)[NH]N=[CH][!#1]
[!#1][CH]=N[NH]C(=O)O[CH2][CH3]
[!#1][CH]=N[NH]C(=S)[NH2]
[!#1][CH]=N[NH]C(=S)S[CH3]
[!#1][CH]=N[NH]S(=O)(=O)[!#1]
[!#1][CH]=N[OH]
[!#1][CH]=NC(=N[NH]C(=O)[!#1])[!#1]
[!#1][CH]=NN([!#1])[CH3]
[!#1][CH]=NN=[CH][!#1]
[!#1][CH]=NOC(=O)[!#1]
[!#1][CH]=O
[!#1][CH]1[CH]([!#1])[CH]2[CH2][CH]1[CH]=[CH]2
[!#1][CH]1[CH]([!#1])[CH]2c3[cH][cH][cH][cH]c3[CH]1c4[cH][cH][cH][cH]c24
[!#1][CH]1[CH]([CH]2[CH2][CH]1[CH]=[CH]2)C(=O)[OH]
[!#1][CH]1[CH]([CH]2c3[cH][cH][cH][cH]c3[CH]1c4[cH][cH][cH][cH]c24)C(=O)[OH]
[!#1][CH]1[CH]([OH])O[CH]([CH2][OH])[CH]([OH])[CH]1[OH]
[!#1][CH]1[CH]2[CH2][CH]3[CH2][CH]([CH2]2)[CH2][CH]1[CH2]3
[!#1][CH]1[CH]2[CH2][CH2][CH2][CH2][CH]12
[!#1][CH]1[CH]2S[CH2]C1([!#1])[CH2][CH2][CH]2[!#1]
[!#1][CH]1[CH2][CH]([CH3])[CH2][CH2][CH]1[CH]([CH3])[CH3]
[!#1][CH]1[CH2][CH]=[CH][CH2][CH]1[!#1]
[!#1][CH]1[CH2][CH]=[CH][CH2][CH]1C(=O)[OH]
[!#1][CH]1[CH2][CH]1[!#1]
[!#1][CH]1[CH2][CH]1c2[cH][cH][cH][cH][cH]2
[!#1][CH]1[CH2][CH]2[CH2][CH2][CH]([CH2]1)N2[!#1]
[!#1][CH]1[CH2][CH]2[CH2][CH2][CH]([CH2]1)N2[CH3]
[!#1][CH]1[CH2][CH]2[CH2][CH2][CH]1[CH2]2
[!#1][CH]1[CH2][CH]2[CH2][CH2]N1[CH2][CH]2[CH]=[CH2]
[!#1][CH]1[CH2][CH2][CH]([!#1])[CH]([!#1])[CH2]1
[!#1][CH]1[CH2][CH2][CH]([!#1])[CH2][CH2]1
[!#1][CH]1[CH2][CH2][CH]([CH2][CH2]1)C([CH3])([CH3])[CH3]
[!#1][CH]1[CH2][CH2][CH]2[CH2][CH2][CH2][NH][CH]2[CH2]1
[!#1][CH]1[CH2][CH2][CH2][CH]([!#1])N1[!#1]
[!#1][CH]1[CH2][CH2][CH2][CH2][CH]1[!#1]
[!#1][CH]1[CH2][CH2][CH2][CH2][CH2][CH2][CH2]1
[!#1][CH]1[CH2][CH2][CH2][CH2][CH2]1
[!#1][CH]1[CH2][CH2][CH2][CH2][NH]C1=O
[!#1][CH]1[CH2][CH2][CH2][CH2]1
[!#1][CH]1[CH2][CH2][CH2][CH2]C1=O
[!#1][CH]1[CH2][CH2][CH2][CH2]N1[!#1]
[!#1][CH]1[CH2][CH2][CH2]C1=N[NH]C(=S)[NH2]
[!#1][CH]1[CH2][CH2][CH2]c2c1[nH]c3[cH][cH]c([!#1])[cH]c23
[!#1][CH]1[CH2][CH2][CH2]c2c1[nH]c3[cH][cH]c([cH]c23)c4[cH][cH][cH][cH][cH]4
[!#1][CH]1[CH2][CH2][CH2]c2c1[nH]c3[cH][cH]c([CH3])[cH]c23
[!#1][CH]1[CH2][CH2][CH2]N([!#1])[CH2]1
[!#1][CH]1[CH2][CH2][CH2]N1[!#1]
[!#1][CH]1[CH2][CH2][CH2]O1
[!#1][CH]1[CH2][CH2][NH][CH2][CH2]1
[!#1][CH]1[CH2][CH2][NH]C(=O)[NH]1
[!#1][CH]1[CH2][CH2]1
[!#1][CH]1[CH2][CH2]C([!#1])(C(=O)[OH])C1([!#1])[CH3]
[!#1][CH]1[CH2][CH2]C([CH3])(C(=O)[OH])C1([CH3])[CH3]
[!#1][CH]1[CH2][CH2]c2c([!#1])c([!#1])sc2C1=O
[!#1][CH]1[CH2][CH2]N([!#1])[CH2][CH2]1
[!#1][CH]1[CH2][CH2]OC1=O
[!#1][CH]1[CH2][CH2]S(=O)(=O)[CH2]1
[!#1][CH]1[CH2][NH]c2[cH][cH][cH][cH]c12
[!#1][CH]1[CH2]C([!#1])([CH]([!#1])[CH2]N1[!#1])c2[cH][cH][cH][cH][cH]2
[!#1][CH]1[CH2]C([!#1])([CH3])[NH]C([!#1])([CH3])[CH2]1
[!#1][CH]1[CH2]C([CH3])([CH3])[NH]C([CH3])([CH3])[CH2]1
[!#1][CH]1[CH2]C(=O)N(C1=O)c2[cH][cH][cH][cH][cH]2
[!#1][CH]1[CH2]C(=O)N(C1=O)c2[cH][cH][cH]c([!#1])[cH]2
[!#1][CH]1[CH2]C(=O)N(C1=O)c2[cH][cH][cH]c(Cl)[cH]2
[!#1][CH]1[CH2]C(=O)N(C1=O)c2[cH][cH][cH]c3[cH][cH][cH][cH]c23
[!#1][CH]1[CH2]C(=O)N(C1=O)c2[cH][cH]c([!#1])[cH][cH]2
[!#1][CH]1[CH2]C(=O)N(C1=O)c2[cH][cH]c(Br)[cH][cH]2
[!#1][CH]1[CH2]C(=O)N(C1=O)c2[cH][cH]c(Cl)[cH][cH]2
[!#1][CH]1[CH2]C(=O)N(C1=O)c2[cH][cH]c(O[CH3])[cH][cH]2
[!#1][CH]1[CH2]C(=O)N(N([CH3])[CH3])C1=O
[!#1][CH]1[CH2]C(=O)O[CH]1c2[cH][cH][cH][cH][cH]2
[!#1][CH]1[CH2]C1([!#1])[CH3]
[!#1][CH]1[CH2]C1([CH3])[CH3]
[!#1][CH]1[CH2]C1(c2[cH][cH][cH][cH][cH]2)c3[cH][cH][cH][cH][cH]3
[!#1][CH]1[CH2]C1(c2[cH][cH]c([!#1])[cH][cH]2)c3[cH][cH]c([!#1])[cH][cH]3
[!#1][CH]1[CH2]C1(c2[cH][cH]c([CH3])[cH][cH]2)c3[cH][cH]c([CH3])[cH][cH]3
[!#1][CH]1[CH2]C2([!#1])[CH2]C([!#1])([CH2][CH]([!#1])C2=O)C1=O
[!#1][CH]1[CH2]c2[cH][cH][cH]c3[cH][cH][cH]c1c23
[!#1][CH]1[CH2]C21[CH2][CH2][CH2]2
[!#1][CH]1[CH2]c2c([nH]c3[cH][cH][cH][cH]c23)[CH]([!#1])[NH]1
[!#1][CH]1[CH2]c2c([nH]c3[cH][cH][cH][cH]c23)[CH]([NH]1)c4[cH][cH]c([!#1])[cH][cH]4
[!#1][CH]1[CH2]N2[CH2][CH2][CH]1[CH2][CH]2[!#1]
[!#1][CH]1[CH2]O[CH]([!#1])O1
[!#1][CH]1[CH2]O1
[!#1][CH]1[CH2]OC([!#1])([CH3])O1
[!#1][CH]1[CH2]OC2([CH2][CH2][CH2][CH2][CH2]2)O1
[!#1][CH]1[CH2]Oc2[cH][cH][cH][cH]c2O1
[!#1][CH]1[CH2]S(=O)(=O)[CH]=[CH]1
[!#1][CH]1[CH2]S(=O)(=O)[CH2][CH]1[!#1]
[!#1][CH]1[CH2]S(=O)(=O)[CH2][CH]1[OH]
[!#1][CH]1[CH2]S[CH]([NH]1)c2[cH][cH]c([!#1])[cH][cH]2
[!#1][CH]1[CH2]S[CH](N1[!#1])c2[cH][cH]c([!#1])[cH][cH]2
[!#1][CH]1[CH2]S[CH2][CH]1[!#1]
[!#1][CH]1[NH][CH2][CH2]n2[cH][cH][cH]c12
[!#1][CH]1[NH]c2[cH][cH][cH][cH]c2[NH]C1=O
[!#1][CH]1C(=NN(C1=O)c2[cH][cH][cH][cH][cH]2)[!#1]
[!#1][CH]1C(=NN(C1=O)c2c([!#1])c([!#1])c([!#1])c([!#1])c2[!#1])[!#1]
[!#1][CH]1C(=NN(C1=O)c2c(F)c(F)c(F)c(F)c2F)[CH3]
[!#1][CH]1C(=O)[CH2]C([!#1])([CH3])[CH2]C1=O
[!#1][CH]1C(=O)[CH2]C([CH3])([CH3])[CH2]C1=O
[!#1][CH]1C(=O)[NH]C(=O)[NH]C1=O
[!#1][CH]1C(=O)c2[cH][cH][cH][cH]c2C1=O
[!#1][CH]1c2[cH][cH][cH][cH]c2-c3[cH][cH][cH][cH]c13
[!#1][CH]1c2[cH][cH][cH][cH]c2Oc3[cH][cH][cH][cH]c13
[!#1][CH]1N([!#1])[CH2][CH2]c2[cH][cH][cH][cH]c12
[!#1][CH]1N(C(=O)N([!#1])C1([!#1])[CH3])c2[cH][cH][cH]c3[cH][cH][cH][cH]c23
[!#1][CH]1N(C(=O)N([!#1])C1([!#1])[CH3])c2[cH][cH]c([!#1])c([!#1])[cH]2
[!#1][CH]1N(C(=O)N([!#1])C1([CH3])[CH3])c2[cH][cH][cH]c3[cH][cH][cH][cH]c23
[!#1][CH]1N2[CH2][CH2][CH]([CH2][CH2]2)C1=O
[!#1][CH]1O[CH]([!#1])[CH]([!#1])[CH]([!#1])[CH]1[!#1]
[!#1][CH]1O[CH]([CH]([!#1])[CH]1[!#1])n2[cH][cH]c(=O)[nH]c2=O
[!#1][CH]1O[CH]([CH]([!#1])[CH]1[!#1])n2[cH]nc3c([!#1])n[cH]nc23
[!#1][CH]1O[CH]([CH2][OH])[CH]([OH])[CH]([OH])[CH]1[OH]
[!#1][CH]1O[CH]([CH2][OH])[CH]([OH])[CH]1[OH]
[!#1][CH]1O[CH]([CH3])[CH]([OH])[CH]([OH])[CH]1[OH]
[!#1][CH]1O[CH2][CH2]O[CH]1[!#1]
[!#1][CH]1OC([!#1])([CH3])O[CH]1[!#1]
[!#1][CH]1S(=O)(=O)[CH2][CH]([CH2]S1(=O)=O)c2[cH][cH][cH][cH][cH]2
[!#1][CH]1S(c2[cH][cH][cH][cH]c2[NH]C1=O)
[!#1][CH2][!#1]
[!#1][CH2][CH]([!#1])[!#1]
[!#1][CH2][CH]([!#1])[CH3]
[!#1][CH2][CH]([!#1])[OH]
[!#1][CH2][CH]([!#1])C#[CH]
[!#1][CH2][CH]([!#1])C(=O)[!#1]
[!#1][CH2][CH]([!#1])C(=O)[NH][!#1]
[!#1][CH2][CH]([!#1])C(=O)[OH]
[!#1][CH2][CH]([!#1])C(=O)O[CH2][CH3]
[!#1][CH2][CH]([CH2][CH3])[NH]C(=O)[!#1]
[!#1][CH2][CH]([CH3])[CH3]
[!#1][CH2][CH]([CH3])[NH][CH2]C(=O)[NH][!#1]
[!#1][CH2][CH]([CH3])[NH]C(=O)[!#1]
[!#1][CH2][CH]([CH3])[NH2]
[!#1][CH2][CH]([CH3])[OH]
[!#1][CH2][CH]([CH3])O[!#1]
[!#1][CH2][CH]([CH3])S[CH2][CH3]
[!#1][CH2][CH]([NH]C(=O)[!#1])C(=O)[NH][!#1]
[!#1][CH2][CH]([NH]C(=O)[!#1])C(=O)[OH]
[!#1][CH2][CH]([NH]C(=O)[!#1])C(=O)O[CH2][CH3]
[!#1][CH2][CH]([NH]C(=O)[!#1])C(=O)O[CH3]
[!#1][CH2][CH]([NH]C(=O)[CH2]O[!#1])C(=O)[OH]
[!#1][CH2][CH]([NH]C(=O)[CH2]O[!#1])C(=O)O[CH3]
[!#1][CH2][CH]([NH]C(=O)[CH3])C(=O)[OH]
[!#1][CH2][CH]([NH]C(=O)[CH3])C(=O)O[CH2][CH3]
[!#1][CH2][CH]([NH]C(=O)OC([CH3])([CH3])[CH3])C(=O)O[!#1]
[!#1][CH2][CH]([NH]S(=O)(=O)[!#1])C(=O)[OH]
[!#1][CH2][CH]([NH]S(=O)(=O)[!#1])C(=O)O[CH3]
[!#1][CH2][CH]([NH2])C(=O)[OH]
[!#1][CH2][CH]([OH])[CH2][!#1]
[!#1][CH2][CH]([OH])[CH2][NH][!#1]
[!#1][CH2][CH]([OH])[CH2][OH]
[!#1][CH2][CH]([OH])[CH2]Br
[!#1][CH2][CH]([OH])[CH2]Cl
[!#1][CH2][CH]([OH])[CH2]N([!#1])[!#1]
[!#1][CH2][CH]([OH])[CH2]N([!#1])[CH3]
[!#1][CH2][CH]([OH])[CH2]N([CH2][CH2][OH])[CH2][CH2][OH]
[!#1][CH2][CH]([OH])[CH2]N([CH2][CH3])[CH2][CH3]
[!#1][CH2][CH]([OH])[CH2]N([CH3])[CH3]
[!#1][CH2][CH]([OH])[CH2]O[!#1]
[!#1][CH2][CH](O[CH3])O[CH3]
[!#1][CH2][CH]=[CH][!#1]
[!#1][CH2][CH]=[CH2]
[!#1][CH2][CH]1[CH2]OC2([CH2][CH2][CH2][CH2][CH2]2)O1
[!#1][CH2][CH2][!#1]
[!#1][CH2][CH2][CH]([CH3])[CH3]
[!#1][CH2][CH2][CH]=C([CH3])[CH3]
[!#1][CH2][CH2][CH2][!#1]
[!#1][CH2][CH2][CH2][CH]([CH2]O[!#1])O[!#1]
[!#1][CH2][CH2][CH2][CH2][!#1]
[!#1][CH2][CH2][CH2][CH2][CH2][!#1]
[!#1][CH2][CH2][CH2][CH2][CH2][CH2][!#1]
[!#1][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
[!#1][CH2][CH2][CH2][CH2][CH2][CH3]
[!#1][CH2][CH2][CH2][CH2][CH2]C(=O)[NH][!#1]
[!#1][CH2][CH2][CH2][CH2][CH2]C(=O)[OH]
[!#1][CH2][CH2][CH2][CH2][CH2]C(=O)N([!#1])[CH2][!#1]
[!#1][CH2][CH2][CH2][CH2][CH3]
[!#1][CH2][CH2][CH2][CH2][NH]C(=O)[!#1]
[!#1][CH2][CH2][CH2][CH2][NH]C(=S)[NH][CH3]
[!#1][CH2][CH2][CH2][CH2][OH]
[!#1][CH2][CH2][CH2][CH2]C(=O)[OH]
[!#1][CH2][CH2][CH2][CH2]C(=O)O[CH3]
[!#1][CH2][CH2][CH2][CH2]N([!#1])C(=O)[!#1]
[!#1][CH2][CH2][CH2][CH2]S[!#1]
[!#1][CH2][CH2][CH2][CH3]
[!#1][CH2][CH2][CH2][NH][!#1]
[!#1][CH2][CH2][CH2][NH]C(=O)[!#1]
[!#1][CH2][CH2][CH2][NH]S(=O)(=O)[!#1]
[!#1][CH2][CH2][CH2][NH2]
[!#1][CH2][CH2][CH2][OH]
[!#1][CH2][CH2][CH2]C(=O)[!#1]
[!#1][CH2][CH2][CH2]C(=O)[NH][!#1]
[!#1][CH2][CH2][CH2]C(=O)[OH]
[!#1][CH2][CH2][CH2]C(=O)O[CH3]
[!#1][CH2][CH2][CH2]Cl
[!#1][CH2][CH2][CH2]N([CH2][CH3])[CH2][CH3]
[!#1][CH2][CH2][CH2]N([CH3])[CH3]
[!#1][CH2][CH2][CH2]O[!#1]
[!#1][CH2][CH2][CH2]OC(=O)[!#1]
[!#1][CH2][CH2][CH2]OC(=O)C([!#1])([!#1])[OH]
[!#1][CH2][CH2][CH2]OC(=O)C([CH3])([CH3])[CH3]
[!#1][CH2][CH2][CH2]S(=O)(=O)[OH]
[!#1][CH2][CH2][CH2]S(=O)(=O)O[Na]
[!#1][CH2][CH2][CH2]S[!#1]
[!#1][CH2][CH2][CH3]
[!#1][CH2][CH2][NH][!#1]
[!#1][CH2][CH2][NH][CH2]C(=O)[NH][!#1]
[!#1][CH2][CH2][NH]C([!#1])([!#1])[!#1]
[!#1][CH2][CH2][NH]C(=C1C(=O)O[CH](C1=O)c2[cH][cH][cH][cH][cH]2)[CH3]
[!#1][CH2][CH2][NH]C(=O)[!#1]
[!#1][CH2][CH2][NH]C(=O)[CH]([!#1])[CH3]
[!#1][CH2][CH2][NH]C(=O)[CH]=[CH][!#1]
[!#1][CH2][CH2][NH]C(=O)[CH2][!#1]
[!#1][CH2][CH2][NH]C(=O)[CH2][CH2][!#1]
[!#1][CH2][CH2][NH]C(=O)[CH2]O[!#1]
[!#1][CH2][CH2][NH]C(=O)[CH3]
[!#1][CH2][CH2][NH]C(=O)[NH][!#1]
[!#1][CH2][CH2][NH]C(=O)O[CH2][CH2]Cl
[!#1][CH2][CH2][NH]S(=O)(=O)[!#1]
[!#1][CH2][CH2][NH2]
[!#1][CH2][CH2][OH]
[!#1][CH2][CH2]C#N
[!#1][CH2][CH2]C(=N[OH])[!#1]
[!#1][CH2][CH2]C(=O)[!#1]
[!#1][CH2][CH2]C(=O)[CH3]
[!#1][CH2][CH2]C(=O)[NH][!#1]
[!#1][CH2][CH2]C(=O)[NH][NH]C(=O)[!#1]
[!#1][CH2][CH2]C(=O)[NH][NH]S(=O)(=O)[!#1]
[!#1][CH2][CH2]C(=O)[NH][NH2]
[!#1][CH2][CH2]C(=O)[NH]N=[CH][!#1]
[!#1][CH2][CH2]C(=O)[NH2]
[!#1][CH2][CH2]C(=O)[OH]
[!#1][CH2][CH2]C(=O)O[!#1]
[!#1][CH2][CH2]C(=O)O[CH2][CH3]
[!#1][CH2][CH2]C(=O)O[CH3]
[!#1][CH2][CH2]c1[cH][cH][cH][cH][cH]1
[!#1][CH2][CH2]c1[cH][cH]c(O[!#1])c(O[!#1])[cH]1
[!#1][CH2][CH2]c1c(nc2[cH][cH][cH][cH]c2c1[NH][!#1])N([!#1])[CH2]c3[cH][cH][cH][cH][cH]3
[!#1][CH2][CH2]c1c(nc2[cH][cH][cH][cH]c2c1[NH][!#1])N([!#1])[CH3]
[!#1][CH2][CH2]N([!#1])[CH]1[CH2][CH2][CH2]c2c1n([!#1])c3[cH][cH]c([CH3])[cH]c23
[!#1][CH2][CH2]N([!#1])[CH2][CH2][NH][!#1]
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])[CH2][CH]([!#1])[!#1]
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])[CH2][CH]([OH])[CH2]O[!#1]
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])[CH2]C(=O)[!#1]
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])[CH2]c1[cH][cH][cH][cH][cH]1
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])[CH2]c1[cH][cH]c2O[CH2]Oc2[cH]1
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])[CH3]
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])c1[cH][cH][cH][cH][cH]1
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])c1[cH][cH][cH][cH]c1O[!#1]
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])c1[cH][cH][cH][cH]n1
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])c1[cH][cH]c([!#1])[cH][cH]1
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])c1[cH][cH]c(Cl)[cH][cH]1
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])c1[cH][cH]c(F)[cH][cH]1
[!#1][CH2][CH2]N([!#1])[CH2][CH2]N([!#1])c1n[cH][cH][cH]n1
[!#1][CH2][CH2]N([!#1])[CH2][CH2]O[!#1]
[!#1][CH2][CH2]N([!#1])[CH2][CH3]
[!#1][CH2][CH2]N([!#1])[CH3]
[!#1][CH2][CH2]N([!#1])[NH2]
[!#1][CH2][CH2]N([!#1])c1[cH][cH][cH][cH][cH]1
[!#1][CH2][CH2]N([CH2][!#1])[CH2][!#1]
[!#1][CH2][CH2]N([CH2][CH2]O[!#1])C(=O)[!#1]
[!#1][CH2][CH2]N([CH2][CH3])[CH2][CH3]
[!#1][CH2][CH2]N([CH3])[CH2]C(=O)[NH][!#1]
[!#1][CH2][CH2]N([CH3])[CH3]
[!#1][CH2][CH2]N=[CH][!#1]
[!#1][CH2][CH2]O[!#1]
[!#1][CH2][CH2]O[CH2][CH]([OH])[CH2][!#1]
[!#1][CH2][CH2]O[CH2][CH]([OH])[CH2][NH2]
[!#1][CH2][CH2]OC(=O)[!#1]
[!#1][CH2][CH2]OC(=O)[CH2][CH2]C(=O)[NH][!#1]
[!#1][CH2][CH2]OC(=O)[CH3]
[!#1][CH2][CH2]OC(=O)[NH][CH]([!#1])C(Cl)(Cl)Cl
[!#1][CH2][CH2]OC(=O)[NH][CH]([NH][!#1])C(Cl)(Cl)Cl
[!#1][CH2][CH2]P(=O)([!#1])[CH2][CH3]
[!#1][CH2][CH2]S(=O)(=O)[!#1]
[!#1][CH2][CH2]S(=O)(=O)[CH2][CH2][!#1]
[!#1][CH2][CH2]S(=O)(=O)[CH2][CH2]C(=O)[NH2]
[!#1][CH2][CH2]S(=O)(=O)O[!#1]
[!#1][CH2][CH2]S(=O)[!#1]
[!#1][CH2][CH2]S[!#1]
[!#1][CH2][CH2]S[CH2][!#1]
[!#1][CH2][CH2]S[CH2][CH2][!#1]
[!#1][CH2][CH2]S[CH2][CH2]S[CH2][CH2][!#1]
[!#1][CH2][CH2]S[CH2]C(=O)[OH]
[!#1][CH2][CH2]SC(=[NH])[NH2]
[!#1][CH2][CH2]SC(=O)[CH3]
[!#1][CH2][CH2]SC(=S)[!#1]
[!#1][CH2][CH3]
[!#1][CH2][NH][!#1]
[!#1][CH2][NH][CH]([CH2][!#1])C(=O)[OH]
[!#1][CH2][NH][CH]([CH3])[CH2][CH3]
[!#1][CH2][NH][CH]([CH3])[CH3]
[!#1][CH2][NH][CH]([NH]C(=O)[!#1])C(Br)(Br)Br
[!#1][CH2][NH][CH]([NH]C(=O)[!#1])C(Cl)(Cl)Cl
[!#1][CH2][NH][CH]=C1C(=O)[CH2][NH]C1=O
[!#1][CH2][NH][CH]=C1C(=O)[NH]C(=O)[NH]C1=O
[!#1][CH2][NH][CH]=C1C(=O)[NH]C(=O)N([!#1])C1=O
[!#1][CH2][NH][CH2][!#1]
[!#1][CH2][NH]C([CH3])([CH3])[CH3]
[!#1][CH2][NH]C(=[NH])[NH]C(=[NH])[NH2]
[!#1][CH2][NH]C(=N[OH])[!#1]
[!#1][CH2][NH]C(=O)[!#1]
[!#1][CH2][NH]C(=O)[CH]([!#1])[CH2][!#1]
[!#1][CH2][NH]C(=O)[CH]=[CH]C(=O)[OH]
[!#1][CH2][NH]C(=O)[CH2][!#1]
[!#1][CH2][NH]C(=O)[CH2][CH2]C(=O)[OH]
[!#1][CH2][NH]C(=O)[CH2]Cl
[!#1][CH2][NH]C(=O)[CH2]O[!#1]
[!#1][CH2][NH]C(=O)[CH3]
[!#1][CH2][NH]C(=O)[NH][!#1]
[!#1][CH2][NH]C(=O)C(=[CH][!#1])[NH]C(=O)[!#1]
[!#1][CH2][NH]C(=S)[NH][!#1]
[!#1][CH2][NH]C(=S)[NH]C(=O)[!#1]
[!#1][CH2][NH]S(=O)(=O)[!#1]
[!#1][CH2][NH2]
[!#1][CH2][OH]
[!#1][CH2]Br
[!#1][CH2]C#C[!#1]
[!#1][CH2]C([CH3])([CH3])[CH3]
[!#1][CH2]C(=[CH2])[CH3]
[!#1][CH2]C(=N[NH][!#1])[CH3]
[!#1][CH2]C(=N[NH]C(=O)[!#1])[CH3]
[!#1][CH2]C(=N[NH]C(=O)[!#1])C(=O)[OH]
[!#1][CH2]C(=N[NH]C(=O)[CH2]O[!#1])[CH3]
[!#1][CH2]C(=N[OH])[!#1]
[!#1][CH2]C(=O)[!#1]
[!#1][CH2]C(=O)[CH3]
[!#1][CH2]C(=O)[NH][!#1]
[!#1][CH2]C(=O)[NH][CH]([!#1])[CH3]
[!#1][CH2]C(=O)[NH][CH]([!#1])C(=O)[NH][!#1]
[!#1][CH2]C(=O)[NH][CH]([!#1])C(Cl)(Cl)Cl
[!#1][CH2]C(=O)[NH][CH]([NH][!#1])C(Cl)(Cl)Cl
[!#1][CH2]C(=O)[NH][CH]([NH]C(=S)[NH][!#1])C(Cl)(Cl)Cl
[!#1][CH2]C(=O)[NH][CH](S[!#1])C(Cl)(Cl)Cl
[!#1][CH2]C(=O)[NH][CH2][CH2][OH]
[!#1][CH2]C(=O)[NH][CH2][CH2]S(=O)(=O)[OH]
[!#1][CH2]C(=O)[NH][NH][!#1]
[!#1][CH2]C(=O)[NH][NH]C(=O)[!#1]
[!#1][CH2]C(=O)[NH][NH2]
[!#1][CH2]C(=O)[NH][OH]
[!#1][CH2]C(=O)[NH]N([!#1])[CH3]
[!#1][CH2]C(=O)[NH]N=[CH][!#1]
[!#1][CH2]C(=O)[NH]N=[CH][CH]([!#1])[!#1]
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH][cH]1
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1[N+](=O)[O-]
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1[OH]
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1Br
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1Cl
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH]c(I)[cH]1
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH]o1
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH]s1
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH]c([OH])[cH]c1[OH]
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH]c(Br)[cH][cH]1
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH]c(Cl)[cH][cH]1
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][cH]c2O[CH2]Oc2[cH]1
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH][nH]c2[cH][cH][cH][cH]c12
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH]c([cH][cH]c1[OH])[N+](=O)[O-]
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH]c(N=Nc2[cH][cH][cH][cH][cH]2)[cH][cH]c1[OH]
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH]c2[cH][cH][cH][cH]c2nc1Cl
[!#1][CH2]C(=O)[NH]N=[CH]c1[cH]c2O[CH2]Oc2[cH]c1[N+](=O)[O-]
[!#1][CH2]C(=O)[NH]N=[CH]c1c([OH])[cH][cH]c2[cH][cH][cH][cH]c12
[!#1][CH2]C(=O)[NH]N=[CH]c1c(Cl)[cH][cH][cH]c1Cl
[!#1][CH2]C(=O)[NH]N=C([!#1])[CH3]
[!#1][CH2]C(=O)[NH]N=C([CH3])c1[cH][cH]c(Br)[cH][cH]1
[!#1][CH2]C(=O)[NH]N=C1[CH2][CH2][CH2]c2c1non2=O
[!#1][CH2]C(=O)[NH]S(=O)(=O)[!#1]
[!#1][CH2]C(=O)[NH2]
[!#1][CH2]C(=O)[OH]
[!#1][CH2]C(=O)C([CH3])([CH3])[CH3]
[!#1][CH2]C(=O)c1[cH][cH][cH][cH][cH]1
[!#1][CH2]C(=O)c1[cH][cH]c([!#1])[cH][cH]1
[!#1][CH2]C(=O)c1[cH][cH]c([CH3])[cH][cH]1
[!#1][CH2]C(=O)c1[cH][cH]c(Cl)c(Cl)[cH]1
[!#1][CH2]C(=O)N([!#1])[CH3]
[!#1][CH2]C(=O)N([CH3])[CH]([!#1])C(=O)[NH][!#1]
[!#1][CH2]C(=O)N=[CH][NH][NH][!#1]
[!#1][CH2]C(=O)O[!#1]
[!#1][CH2]C(=O)O[CH2][CH2][CH2][CH3]
[!#1][CH2]C(=O)O[CH2][CH2][NH]C(=O)[!#1]
[!#1][CH2]C(=O)O[CH2][CH3]
[!#1][CH2]C(=O)O[CH2]C(=O)[!#1]
[!#1][CH2]C(=O)O[CH3]
[!#1][CH2]C(=O)O[Na]
[!#1][CH2]C(=S)[!#1]
[!#1][CH2]C1([CH2][CH]2[CH2][CH]3[CH2][CH]([CH2]2)[CH2]1)[CH2]3
[!#1][CH2]c1[cH][cH][cH][cH][cH]1
[!#1][CH2]c1[cH][cH][cH][cH]c1Br
[!#1][CH2]c1[cH][cH][cH][cH]c1C(F)(F)F
[!#1][CH2]c1[cH][cH][cH][cH]c1Cl
[!#1][CH2]c1[cH][cH][cH][cH]c1F
[!#1][CH2]c1[cH][cH][cH]c([CH3])[cH]1
[!#1][CH2]c1[cH][cH][cH]c([OH])[cH]1
[!#1][CH2]c1[cH][cH][cH]c(Br)[cH]1
[!#1][CH2]c1[cH][cH][cH]c(Cl)[cH]1
[!#1][CH2]c1[cH][cH][cH]c(Cl)c1Cl
[!#1][CH2]c1[cH][cH][cH]c(F)[cH]1
[!#1][CH2]c1[cH][cH][cH]c(O[!#1])[cH]1
[!#1][CH2]c1[cH][cH][cH]c2[cH][cH][cH][cH]c12
[!#1][CH2]c1[cH][cH][cH]n[cH]1
[!#1][CH2]c1[cH][cH][cH]o1
[!#1][CH2]c1[cH][cH][cH]s1
[!#1][CH2]c1[cH][cH]c([!#1])[cH][cH]1
[!#1][CH2]c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1][CH2]c1[cH][cH]c([cH][cH]1)C(F)(F)F
[!#1][CH2]c1[cH][cH]c([CH3])[cH][cH]1
[!#1][CH2]c1[cH][cH]c(Br)[cH][cH]1
[!#1][CH2]c1[cH][cH]c(Br)s1
[!#1][CH2]c1[cH][cH]c(Cl)[cH][cH]1
[!#1][CH2]c1[cH][cH]c(Cl)[cH]c1Cl
[!#1][CH2]c1[cH][cH]c(F)[cH][cH]1
[!#1][CH2]c1[cH][cH]c(F)[cH]c1F
[!#1][CH2]c1[cH][cH]c(O[!#1])[cH][cH]1
[!#1][CH2]c1[cH][cH]c(O[!#1])c(O[!#1])[cH]1
[!#1][CH2]c1[cH][cH]c(S[CH3])[cH][cH]1
[!#1][CH2]c1[cH][cH]c2[cH][cH][cH][cH]c2[cH]1
[!#1][CH2]c1[cH][cH]c2O[CH2]Oc2[cH]1
[!#1][CH2]c1[cH][cH]o[cH]1
[!#1][CH2]c1[cH][cH]s[cH]1
[!#1][CH2]c1[cH][nH]c2[cH][cH][cH][cH]c12
[!#1][CH2]c1[cH]c([CH2][!#1])c([OH])c([!#1])n1
[!#1][CH2]c1c([!#1])[cH][cH]c2[cH][cH][cH][cH]c12
[!#1][CH2]c1c([NH][!#1])sc2[CH2][CH2][CH2][CH2]c12
[!#1][CH2]c1nc2[cH][cH][cH][cH]c2[nH]1
[!#1][CH2]Cl
[!#1][CH2]N([!#1])[CH2][!#1]
[!#1][CH2]N([!#1])[CH2][CH2][OH]
[!#1][CH2]N([!#1])[CH2][CH3]
[!#1][CH2]N([!#1])[CH3]
[!#1][CH2]N([!#1])[NH]C(=O)[CH2][!#1]
[!#1][CH2]N([!#1])C(=O)[!#1]
[!#1][CH2]N([!#1])C(=O)[CH2][CH2]C(=O)[!#1]
[!#1][CH2]N([!#1])C(=O)[CH2]O[!#1]
[!#1][CH2]N([!#1])C(=O)[CH3]
[!#1][CH2]N([!#1])C(=O)c1[cH][cH][cH][cH]c1C(=O)[!#1]
[!#1][CH2]N([!#1])C(=O)c1[cH]c([cH][cH]c1C(=O)[!#1])[N+](=O)[O-]
[!#1][CH2]N([!#1])C(=O)c1[cH]c(Br)[cH][cH]c1C(=O)[!#1]
[!#1][CH2]N([!#1])c1[cH][cH][cH][cH]c1C(=O)C(=O)[!#1]
[!#1][CH2]N([!#1])N=[CH][!#1]
[!#1][CH2]N([!#1])S(=O)(=O)[NH]C(=O)[NH][!#1]
[!#1][CH2]N([CH2][!#1])[CH2][!#1]
[!#1][CH2]N([CH2][!#1])C(=O)[!#1]
[!#1][CH2]N([CH2][!#1])C(=O)[NH][!#1]
[!#1][CH2]N([CH2][!#1])S(=O)(=O)[!#1]
[!#1][CH2]N([CH2][CH]([OH])[CH2]O[!#1])C([CH3])([CH3])[CH3]
[!#1][CH2]N([CH2][CH]=[CH2])[CH2][CH]=[CH2]
[!#1][CH2]N([CH2][CH2][OH])[CH2][CH2][OH]
[!#1][CH2]N([CH2][CH3])[CH2][CH3]
[!#1][CH2]N([CH2]C(=O)[OH])[CH2]C(=O)[OH]
[!#1][CH2]N([CH3])[CH3]
[!#1][CH2]N([CH3])C(=O)[!#1]
[!#1][CH2]N([CH3])S(=O)(=O)[!#1]
[!#1][CH2]N([OH])[CH2][!#1]
[!#1][CH2]N(C([CH3])([CH3])[CH3])S(=O)(=O)[!#1]
[!#1][CH2]N(C(=O)[!#1])C([CH3])([CH3])[CH3]
[!#1][CH2]N(C(=O)[CH2][CH2]C(=O)[OH])C([CH3])([CH3])[CH3]
[!#1][CH2]N=[CH][!#1]
[!#1][CH2]N=c1[cH][cH]n([!#1])[cH][cH]1
[!#1][CH2]N1[CH2][CH2][CH]([!#1])[CH2][CH2]1
[!#1][CH2]N1[CH2][CH2][CH2][CH2][CH2]1
[!#1][CH2]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH][cH][cH][cH]2
[!#1][CH2]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH][cH][cH]n2
[!#1][CH2]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH]c(Cl)[cH][cH]2
[!#1][CH2]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH]c(F)[cH][cH]2
[!#1][CH2]N1[CH2][CH2]O[CH2][CH2]1
[!#1][CH2]N1C(=O)c2[cH][cH][cH][cH]c2C1=O
[!#1][CH2]n1nnc2[cH][cH][cH][cH]c12
[!#1][CH2]O[!#1]
[!#1][CH2]O[CH2][!#1]
[!#1][CH2]O[CH2][CH]([OH])[CH2][!#1]
[!#1][CH2]O[CH2][CH]([OH])[CH2][NH][CH]([CH3])[CH3]
[!#1][CH2]O[CH2][CH3]
[!#1][CH2]O[CH3]
[!#1][CH2]OC([!#1])([!#1])[!#1]
[!#1][CH2]OC(=O)[!#1]
[!#1][CH2]OC(=O)[CH]([CH]([!#1])S[CH2][!#1])[N+](=O)[O-]
[!#1][CH2]OC(=O)[CH2][CH2]C(=O)[OH]
[!#1][CH2]OC(=O)[CH2][CH3]
[!#1][CH2]OC(=O)[CH3]
[!#1][CH2]OC(=O)[NH][!#1]
[!#1][CH2]OC(=O)[NH][CH]([NH]C(=S)[NH][!#1])C(Cl)(Cl)Cl
[!#1][CH2]OP(=S)(O[CH2][CH3])O[CH2][CH3]
[!#1][CH2]OS(=O)(=O)[!#1]
[!#1][CH2]S(=O)(=O)[!#1]
[!#1][CH2]S(=O)(=O)[NH][!#1]
[!#1][CH2]S[!#1]
[!#1][CH2]S[CH2]C(=O)[NH]N=[CH][!#1]
[!#1][CH2]S[CH2]S[CH2][!#1]
[!#1][CH2]SC(=[NH])[NH2]
[!#1][CH3]
[!#1][N]([CH3])([CH3])[CH3]
[!#1][N+]([CH3])([CH3])[CH3]
[!#1][N+](=O)[O-]
[!#1][n+]1[cH][cH][cH][cH][cH]1
[!#1][n+]1[cH][cH]c2[cH][cH][cH][cH]c2[cH]1
[!#1][n+]1c([CH3])sc2[cH][cH]c(O[CH3])[cH]c12
[!#1][NH](=O)[OH]
[!#1][NH][!#1]
[!#1][NH][CH]([!#1])[!#1]
[!#1][NH][CH]([!#1])[CH]([CH3])[CH3]
[!#1][NH][CH]([!#1])[CH2][CH]([!#1])[CH3]
[!#1][NH][CH]([!#1])[CH2][CH2][CH3]
[!#1][NH][CH]([!#1])[CH2]C(=O)[!#1]
[!#1][NH][CH]([!#1])[CH3]
[!#1][NH][CH]([!#1])C(Br)(Br)Br
[!#1][NH][CH]([!#1])C(Cl)(Cl)Cl
[!#1][NH][CH]([!#1])P(=O)(O[CH]([CH3])[CH3])O[CH]([CH3])[CH3]
[!#1][NH][CH]([!#1])P(=O)(O[CH2][CH3])O[CH2][CH3]
[!#1][NH][CH]([!#1])P(=O)(O[CH3])O[CH3]
[!#1][NH][CH]([CH]([CH3])[CH3])C(=O)[OH]
[!#1][NH][CH]([CH2][CH]([CH3])[CH3])C(=O)[!#1]
[!#1][NH][CH]([CH2][CH]([CH3])[CH3])C(=O)[OH]
[!#1][NH][CH]([CH2][CH2][OH])C(=O)[NH][!#1]
[!#1][NH][CH]([CH2][CH2]S[CH3])C(=O)[OH]
[!#1][NH][CH]([CH2][CH3])C(=O)[OH]
[!#1][NH][CH]([CH2]C([!#1])([CH3])[CH3])[CH2]C([CH3])([CH3])[NH][!#1]
[!#1][NH][CH]([CH2]C(=O)[OH])c1[cH][cH][cH][cH][cH]1
[!#1][NH][CH]([CH2]c1[cH][cH][cH][cH][cH]1)C(=O)[!#1]
[!#1][NH][CH]([CH2]c1[cH][cH][cH][cH][cH]1)C(=O)[OH]
[!#1][NH][CH]([CH2]c1[cH][cH]c([OH])[cH][cH]1)C(=O)[!#1]
[!#1][NH][CH]([CH2]c1[cH][nH]c2[cH][cH][cH][cH]c12)C(=O)[!#1]
[!#1][NH][CH]([CH2]c1[cH][nH]c2[cH][cH][cH][cH]c12)C(=O)[OH]
[!#1][NH][CH]([CH3])[CH2][CH2][CH2]N([CH2][CH3])[CH2][CH3]
[!#1][NH][CH]([CH3])[CH2][CH3]
[!#1][NH][CH]([CH3])[CH2]c1[cH][cH][cH][cH][cH]1
[!#1][NH][CH]([CH3])[CH2]c1[cH][nH]c2[cH][cH][cH][cH]c12
[!#1][NH][CH]([CH3])[CH3]
[!#1][NH][CH]([CH3])C(=O)[!#1]
[!#1][NH][CH]([CH3])c1[cH][cH][cH][cH][cH]1
[!#1][NH][CH]([NH]C(=O)[!#1])C(=O)[!#1]
[!#1][NH][CH]([NH]C(=O)[!#1])C(Br)(Br)Br
[!#1][NH][CH]([NH]C(=O)[!#1])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=O)[CH]([CH3])[CH3])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=O)[CH2][CH2][CH2][CH2][CH2][CH3])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=O)[CH2][CH2][CH3])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=O)[CH2][CH3])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=O)[CH2]F)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=O)[NH][!#1])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=O)[NH][CH]([NH][!#1])C(Cl)(Cl)Cl)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH][cH][cH]1)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH][cH]c1[CH3])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH][cH]c1[N+](=O)[O-])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH][cH]c1[OH])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH][cH]c1C(=O)[!#1])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH][cH]c1C(=O)[OH])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH][cH]c1O[!#1])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH]c([cH]1)[N+](=O)[O-])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH]c([cH]1)C(=O)[OH])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH]c([CH3])[cH]1)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH]c([OH])[cH]1)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH]c2[cH][cH][cH][cH]c12)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH][cH]c2[cH][cH][cH]nc12)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH]c([cH][cH]1)[N+](=O)[O-])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH]c([cH][cH]1)C(=O)[OH])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH]c([cH][cH]1)S(=O)(=O)[!#1])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH]c([CH3])[cH][cH]1)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH]c([NH][!#1])[cH][cH]1)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH]c(N=Nc2[cH][cH][cH][cH][cH]2)[cH][cH]1)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH]c(N=Nc2[cH][cH][cH][cH]c2[CH3])[cH]c1[CH3])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH]c(O[!#1])[cH][cH]1)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH][cH]c(O[!#1])[cH]c1[N+](=O)[O-])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH]c([cH][cH]c1Cl)C(F)(F)F)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH]c([cH][cH]c1O[!#1])[N+](=O)[O-])C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1[cH]c(Cl)[cH][cH]c1Cl)C(Cl)(Cl)Cl
[!#1][NH][CH]([NH]C(=S)[NH]c1sc2[CH2][CH2][CH2][CH2]c2c1C(=O)[!#1])C(Cl)(Cl)Cl
[!#1][NH][CH](c1[cH][cH][cH][cH][cH]1)C([!#1])([!#1])C(=O)[!#1]
[!#1][NH][CH](c1[cH][cH][cH][cH][cH]1)c2c([OH])[cH][cH]c3[cH][cH][cH][cH]c23
[!#1][NH][CH](c1[cH][cH][cH][cH]c1[!#1])c2[cH][cH][cH][cH]c2O[!#1]
[!#1][NH][CH]=[CH][!#1]
[!#1][NH][CH]=C1C(=O)[CH2][NH]C1=O
[!#1][NH][CH]=C1C(=O)[CH2]C([!#1])([CH3])[CH]([!#1])C1=O
[!#1][NH][CH]=C1C(=O)[CH2]C([!#1])([CH3])[CH2]C1=O
[!#1][NH][CH]1[CH2][CH2][CH2][CH2][CH2]1
[!#1][NH][CH]1[CH2][CH2][CH2][CH2]1
[!#1][NH][CH]1[CH2][CH2]1
[!#1][NH][CH]1[CH2][CH2]S(=O)(=O)[CH2]1
[!#1][NH][CH]1O[CH]([CH2][OH])[CH]([OH])[CH]([OH])[CH]1[OH]
[!#1][NH][CH]1O[CH2][CH]([OH])[CH]([OH])[CH]1[OH]
[!#1][NH][CH2][CH]([!#1])[!#1]
[!#1][NH][CH2][CH]([CH3])[CH3]
[!#1][NH][CH2][CH]([OH])[CH]([OH])[CH]([OH])[CH2][OH]
[!#1][NH][CH2][CH]([OH])[CH2]O[!#1]
[!#1][NH][CH2][CH]=[CH2]
[!#1][NH][CH2][CH2][CH2][CH2][CH2][CH2][NH][!#1]
[!#1][NH][CH2][CH2][CH2][CH2][CH2][CH2][OH]
[!#1][NH][CH2][CH2][CH2][CH2][CH2]C(=O)[OH]
[!#1][NH][CH2][CH2][CH2][CH2][CH3]
[!#1][NH][CH2][CH2][CH2][CH2][OH]
[!#1][NH][CH2][CH2][CH2][CH3]
[!#1][NH][CH2][CH2][CH2][NH2]
[!#1][NH][CH2][CH2][CH2][OH]
[!#1][NH][CH2][CH2][CH2]C(=O)[OH]
[!#1][NH][CH2][CH2][CH2]O[CH3]
[!#1][NH][CH2][CH2][CH3]
[!#1][NH][CH2][CH2][NH][!#1]
[!#1][NH][CH2][CH2][NH2]
[!#1][NH][CH2][CH2][OH]
[!#1][NH][CH2][CH2]C#N
[!#1][NH][CH2][CH2]C(=O)[!#1]
[!#1][NH][CH2][CH2]C(=O)[OH]
[!#1][NH][CH2][CH2]c1[cH][cH][cH][cH][cH]1
[!#1][NH][CH2][CH2]c1[cH][cH]c(O[!#1])[cH][cH]1
[!#1][NH][CH2][CH2]c1[cH][cH]c(O[!#1])c(O[!#1])[cH]1
[!#1][NH][CH2][CH2]c1[cH][nH]c2[cH][cH][cH][cH]c12
[!#1][NH][CH2][CH2]c1[cH][nH]c2[cH][cH]c(O[!#1])[cH]c12
[!#1][NH][CH2][CH2]N([CH2][CH3])[CH2][CH3]
[!#1][NH][CH2][CH2]O[!#1]
[!#1][NH][CH2][CH2]S(=O)(=O)[OH]
[!#1][NH][CH2][CH3]
[!#1][NH][CH2][NH][!#1]
[!#1][NH][CH2]C(=O)[!#1]
[!#1][NH][CH2]C(=O)[NH][!#1]
[!#1][NH][CH2]C(=O)[NH]N=[CH][!#1]
[!#1][NH][CH2]C(=O)[NH]N=[CH]c1[cH][cH]c([OH])[cH][cH]1
[!#1][NH][CH2]C(=O)[NH]N=[CH]c1[cH][cH]c2O[CH2]Oc2[cH]1
[!#1][NH][CH2]C(=O)[NH]N=[CH]c1[cH]c(N=Nc2[cH][cH][cH][cH][cH]2)[cH][cH]c1[OH]
[!#1][NH][CH2]C(=O)[NH]N=[CH]c1[cH]c2[cH][cH][cH][cH]c2nc1Cl
[!#1][NH][CH2]C(=O)[OH]
[!#1][NH][CH2]C(=O)C([!#1])([!#1])C(=O)[!#1]
[!#1][NH][CH2]C(=O)O[CH2][CH2][CH2][CH3]
[!#1][NH][CH2]C(=O)O[CH2][CH3]
[!#1][NH][CH2]C(=O)O[CH3]
[!#1][NH][CH2]c1[cH][cH][cH][cH][cH]1
[!#1][NH][CH2]c1[cH][cH][cH]n[cH]1
[!#1][NH][CH2]c1[cH][cH][cH]o1
[!#1][NH][CH2]c1[cH][cH][cH]s1
[!#1][NH][CH2]c1[cH][cH]c(Cl)[cH][cH]1
[!#1][NH][CH2]c1[cH]c(Br)[cH]c(Br)c1O[!#1]
[!#1][NH][CH2]c1[cH]c(Br)[cH]c(C(=O)[OH])c1O[!#1]
[!#1][NH][CH2]c1c(O[!#1])[cH][cH]c2[cH][cH][cH][cH]c12
[!#1][NH][CH3]
[!#1][NH][NH][!#1]
[!#1][NH][NH][CH]=O
[!#1][NH][NH]C(=O)[!#1]
[!#1][NH][NH]C(=O)[CH2][CH2][CH3]
[!#1][NH][NH]C(=O)[CH3]
[!#1][NH][NH]C(=O)[NH][!#1]
[!#1][NH][NH]C(=S)[NH][!#1]
[!#1][NH][NH]C(=S)[NH2]
[!#1][NH][NH]S(=O)(=O)[!#1]
[!#1][NH][NH2]
[!#1][NH]C([!#1])([!#1])[!#1]
[!#1][NH]C([!#1])([!#1])[CH3]
[!#1][NH]C([!#1])([!#1])C(=O)[!#1]
[!#1][NH]C([!#1])([!#1])C(=O)c1[cH][cH][cH][cH]c1C(=O)[CH]([!#1])[!#1]
[!#1][NH]C([!#1])([CH3])[CH2][CH3]
[!#1][NH]C([!#1])([CH3])[CH3]
[!#1][NH]C([CH3])([CH3])[CH2][CH]([!#1])[CH2]C([!#1])([CH3])[CH3]
[!#1][NH]C([CH3])([CH3])[CH2][OH]
[!#1][NH]C([CH3])([CH3])[CH3]
[!#1][NH]C(=[NH])[NH]C(=[NH])[NH][!#1]
[!#1][NH]C(=[NH])[NH]C(=[NH])N([CH3])[CH3]
[!#1][NH]C(=[NH])[NH]C(=O)[NH2]
[!#1][NH]C(=[NH])[NH2]
[!#1][NH]C(=C(S(=O)(=O)[CH2][CH3])S(=O)(=O)[CH2][CH3])[NH][!#1]
[!#1][NH]C(=C1C(=O)[CH2]SC1=O)[CH3]
[!#1][NH]C(=C1C(=O)[NH]C(=O)N([!#1])C1=O)[CH3]
[!#1][NH]C(=N[!#1])[NH][!#1]
[!#1][NH]C(=N[!#1])SC([!#1])([!#1])C(=O)[!#1]
[!#1][NH]C(=O)[!#1]
[!#1][NH]C(=O)[CH]([!#1])[!#1]
[!#1][NH]C(=O)[CH]([!#1])[CH]([CH3])[CH3]
[!#1][NH]C(=O)[CH]([!#1])[CH3]
[!#1][NH]C(=O)[CH]([!#1])C(=O)[NH][!#1]
[!#1][NH]C(=O)[CH]([!#1])C(=O)O[CH2][CH3]
[!#1][NH]C(=O)[CH]([CH](C(=O)[OH])C(=O)O[!#1])C(=O)O[!#1]
[!#1][NH]C(=O)[CH]([CH2][CH2][CH3])[CH2][CH2][CH3]
[!#1][NH]C(=O)[CH]([CH3])[CH2][SH](=O)=O
[!#1][NH]C(=O)[CH]([CH3])[NH]C(=O)[!#1]
[!#1][NH]C(=O)[CH]([CH3])Br
[!#1][NH]C(=O)[CH](C(=O)[!#1])S(=O)(=O)[!#1]
[!#1][NH]C(=O)[CH](OC(=O)[!#1])[CH](OC(=O)[!#1])C(=O)[OH]
[!#1][NH]C(=O)[CH]=[CH][!#1]
[!#1][NH]C(=O)[CH]=[CH][CH3]
[!#1][NH]C(=O)[CH]=[CH]C(=O)[OH]
[!#1][NH]C(=O)[CH]=[CH]C(=O)O[CH2]C(F)(F)[CH](F)F
[!#1][NH]C(=O)[CH]=[CH]c1[cH][cH][cH][cH][cH]1
[!#1][NH]C(=O)[CH]=[CH]c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1][NH]C(=O)[CH2][CH]([!#1])[NH]C(=O)C(F)(F)F
[!#1][NH]C(=O)[CH2][CH2][CH2][CH2][CH2][CH2]C(=O)[NH][!#1]
[!#1][NH]C(=O)[CH2][CH2][CH2][CH3]
[!#1][NH]C(=O)[CH2][CH2][CH2]C(=O)[NH][!#1]
[!#1][NH]C(=O)[CH2][CH2][CH2]C(=O)[OH]
[!#1][NH]C(=O)[CH2][CH2][CH2]C(=O)O[!#1]
[!#1][NH]C(=O)[CH2][CH2][CH2]C(=O)O[CH2]C#[CH]
[!#1][NH]C(=O)[CH2][CH2][CH2]O[!#1]
[!#1][NH]C(=O)[CH2][CH2][CH3]
[!#1][NH]C(=O)[CH2][CH2]C([CH3])([CH3])C(=O)[NH][!#1]
[!#1][NH]C(=O)[CH2][CH2]C(=O)[OH]
[!#1][NH]C(=O)[CH2][CH2]C(=O)O[!#1]
[!#1][NH]C(=O)[CH2][CH2]C(=O)O[CH2][CH]=[CH2]
[!#1][NH]C(=O)[CH2][CH2]C(=O)O[CH2]C(=C(Cl)Cl)Cl
[!#1][NH]C(=O)[CH2][CH2]C(=O)O[CH3]
[!#1][NH]C(=O)[CH2][CH2]Cl
[!#1][NH]C(=O)[CH2][CH3]
[!#1][NH]C(=O)[CH2][NH][CH]([CH3])[CH3]
[!#1][NH]C(=O)[CH2][NH]C([CH3])([CH3])[CH3]
[!#1][NH]C(=O)[CH2][SH]
[!#1][NH]C(=O)[CH2]C(=N[NH]C(=O)[!#1])[CH3]
[!#1][NH]C(=O)[CH2]C(=O)[!#1]
[!#1][NH]C(=O)[CH2]C(=O)[CH3]
[!#1][NH]C(=O)[CH2]C(=O)[NH][!#1]
[!#1][NH]C(=O)[CH2]Cl
[!#1][NH]C(=O)[CH2]N([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]
[!#1][NH]C(=O)[CH2]N([CH2][CH3])[CH2][CH3]
[!#1][NH]C(=O)[CH2]N([CH3])[CH3]
[!#1][NH]C(=O)[CH2]O[!#1]
[!#1][NH]C(=O)[CH2]S[!#1]
[!#1][NH]C(=O)[CH2]S[CH2][CH2][NH2]
[!#1][NH]C(=O)[CH2]SC(=O)[!#1]
[!#1][NH]C(=O)[CH3]
[!#1][NH]C(=O)[NH][!#1]
[!#1][NH]C(=O)[NH][CH]([!#1])[CH3]
[!#1][NH]C(=O)[NH][CH]([CH2]C(=O)[!#1])C(Cl)(Cl)Cl
[!#1][NH]C(=O)[NH][CH2][CH2][CH2][OH]
[!#1][NH]C(=O)[NH][CH2][CH2][OH]
[!#1][NH]C(=O)[NH][CH3]
[!#1][NH]C(=O)[NH][NH]C(=O)[!#1]
[!#1][NH]C(=O)[NH][NH]C(=O)[CH2]O[!#1]
[!#1][NH]C(=O)[NH][NH]C(=O)O[CH3]
[!#1][NH]C(=O)[NH]C(=O)[!#1]
[!#1][NH]C(=O)[NH]C(=O)[CH2]O[!#1]
[!#1][NH]C(=O)[NH]C(=O)[NH2]
[!#1][NH]C(=O)[NH]C(=O)C(Cl)(Cl)Cl
[!#1][NH]C(=O)[NH]N=[CH][!#1]
[!#1][NH]C(=O)[NH]N=C([!#1])[CH3]
[!#1][NH]C(=O)[NH]S(=O)(=O)[!#1]
[!#1][NH]C(=O)[NH]S(=O)(=O)[NH][!#1]
[!#1][NH]C(=O)[NH2]
[!#1][NH]C(=O)C([!#1])([!#1])[NH][!#1]
[!#1][NH]C(=O)C([!#1])([!#1])[OH]
[!#1][NH]C(=O)C([!#1])(F)F
[!#1][NH]C(=O)C([CH3])([CH3])[CH3]
[!#1][NH]C(=O)C(=[CH][!#1])[NH]C(=O)[CH3]
[!#1][NH]C(=O)C(=[CH]c1[cH][cH][cH][cH][cH]1)[NH]C(=O)[CH3]
[!#1][NH]C(=O)C(=[CH2])[CH3]
[!#1][NH]C(=O)C(=O)[NH]N=C1C(=O)[NH]c2[cH][cH][cH][cH]c12
[!#1][NH]C(=O)C(Cl)(Cl)Cl
[!#1][NH]C(=O)C(F)(F)C(F)(F)F
[!#1][NH]C(=O)C(F)(F)F
[!#1][NH]C(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
[!#1][NH]C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
[!#1][NH]C(=O)N([!#1])[OH]
[!#1][NH]C(=O)N([CH]([CH3])[CH3])[CH]([CH3])[CH3]
[!#1][NH]C(=O)O[!#1]
[!#1][NH]C(=O)O[CH]([CH3])[CH3]
[!#1][NH]C(=O)O[CH2][CH2][CH2][NH]C(=O)[!#1]
[!#1][NH]C(=O)O[CH2][CH2][NH]C(=O)[!#1]
[!#1][NH]C(=O)O[CH2][CH2][NH]C(=O)O[CH3]
[!#1][NH]C(=O)O[CH2][CH2][NH]S(=O)(=O)[!#1]
[!#1][NH]C(=O)O[CH2][CH2]O[CH3]
[!#1][NH]C(=O)O[CH2][CH3]
[!#1][NH]C(=O)O[CH3]
[!#1][NH]C(=O)ON=[CH][!#1]
[!#1][NH]C(=O)ON=C([CH3])[CH3]
[!#1][NH]C(=O)S[CH2]C(=O)[!#1]
[!#1][NH]C(=S)[!#1]
[!#1][NH]C(=S)[NH][!#1]
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[!#1])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH]([!#1])[!#1])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH]([CH3])[CH3])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH]=[CH][!#1])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH]=[CH]c1[cH][cH][cH][cH][cH]1)C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH2][CH]([CH3])[CH3])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH2][CH2][CH2][CH2][CH2][CH3])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH2][CH2][CH2][CH2][CH3])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH2][CH2][CH3])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH2][CH3])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH2]F)C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)[CH3])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH]([NH]C(=O)C([CH3])([CH3])[CH3])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH][CH](N=C([!#1])O[CH3])C(Cl)(Cl)Cl
[!#1][NH]C(=S)[NH]C(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
[!#1][NH]C(=S)[NH]C(=N[CH2]S(=O)(=O)[!#1])[!#1]
[!#1][NH]C(=S)[NH]C(=O)[!#1]
[!#1][NH]C(=S)[NH]C(=O)[CH]=[CH][!#1]
[!#1][NH]C(=S)[NH]C(=O)[CH]=[CH]c1[cH][cH][cH][cH][cH]1
[!#1][NH]C(=S)[NH]C(=O)[CH]=[CH]c1[cH][cH][cH]o1
[!#1][NH]C(=S)[NH]C(=O)[CH]=[CH]c1[cH][cH]c(F)[cH][cH]1
[!#1][NH]C(=S)[NH]C(=O)[CH]=[CH]c1[cH][cH]c(O[CH3])c(O[CH3])[cH]1
[!#1][NH]C(=S)[NH]c1[cH][cH]c([cH][cH]1)S(=O)(=O)[!#1]
[!#1][NH]C(=S)[NH]N=[CH][!#1]
[!#1][NH]C(=S)[NH]N=C([!#1])[CH3]
[!#1][NH]C(=S)[NH2]
[!#1][NH]C(=S)O[CH2][CH2][CH3]
[!#1][NH]C(=S)SC([!#1])([!#1])C(=O)[!#1]
[!#1][NH]C1([CH2][CH]2[CH2][CH]3[CH2][CH]([CH2]2)[CH2]1)[CH2]3
[!#1][NH]C1([CH2][CH2][CH2][CH2][CH2]1)C(=O)[!#1]
[!#1][NH]C1([CH2][CH2][CH2][CH2][CH2]1)c2nnnn2[!#1]
[!#1][NH]C1([CH2][CH2][CH2][CH2]1)C(=O)[!#1]
[!#1][NH]C1([CH3])C(=O)c2[cH][cH][cH][cH]c2C1=O
[!#1][NH]C1(C(=O)c2[cH][cH][cH][cH]c2C1=O)c3[cH][cH][cH][cH][cH]3
[!#1][NH]c1[cH][cH][cH][cH][cH]1
[!#1][NH]c1[cH][cH][cH][cH]c1[!#1]
[!#1][NH]c1[cH][cH][cH][cH]c1[CH2][CH3]
[!#1][NH]c1[cH][cH][cH][cH]c1[CH3]
[!#1][NH]c1[cH][cH][cH][cH]c1[N+](=O)[O-]
[!#1][NH]c1[cH][cH][cH][cH]c1[NH][!#1]
[!#1][NH]c1[cH][cH][cH][cH]c1[OH]
[!#1][NH]c1[cH][cH][cH][cH]c1Br
[!#1][NH]c1[cH][cH][cH][cH]c1C([!#1])([!#1])C(=O)[!#1]
[!#1][NH]c1[cH][cH][cH][cH]c1C([OH])([CH2]C(=N[NH]C(=O)[CH2]O[!#1])[CH3])C(=O)[!#1]
[!#1][NH]c1[cH][cH][cH][cH]c1C(=N[!#1])C(=O)[!#1]
[!#1][NH]c1[cH][cH][cH][cH]c1C(=O)[!#1]
[!#1][NH]c1[cH][cH][cH][cH]c1C(=O)[OH]
[!#1][NH]c1[cH][cH][cH][cH]c1C(F)(F)F
[!#1][NH]c1[cH][cH][cH][cH]c1Cl
[!#1][NH]c1[cH][cH][cH][cH]c1F
[!#1][NH]c1[cH][cH][cH][cH]c1I
[!#1][NH]c1[cH][cH][cH][cH]c1O[!#1]
[!#1][NH]c1[cH][cH][cH][cH]c1S[CH]([CH2]C(=O)[!#1])C(=O)[!#1]
[!#1][NH]c1[cH][cH][cH][cH]n1
[!#1][NH]c1[cH][cH][cH]c([!#1])[cH]1
[!#1][NH]c1[cH][cH][cH]c([cH]1)[CH]([!#1])[!#1]
[!#1][NH]c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1][NH]c1[cH][cH][cH]c([cH]1)C(=O)[!#1]
[!#1][NH]c1[cH][cH][cH]c([cH]1)C(=O)[CH3]
[!#1][NH]c1[cH][cH][cH]c([cH]1)C(=O)[OH]
[!#1][NH]c1[cH][cH][cH]c([cH]1)C(F)(F)F
[!#1][NH]c1[cH][cH][cH]c([CH3])[cH]1
[!#1][NH]c1[cH][cH][cH]c([CH3])c1[CH3]
[!#1][NH]c1[cH][cH][cH]c([NH][!#1])[cH]1
[!#1][NH]c1[cH][cH][cH]c([OH])[cH]1
[!#1][NH]c1[cH][cH][cH]c(Br)[cH]1
[!#1][NH]c1[cH][cH][cH]c(Cl)[cH]1
[!#1][NH]c1[cH][cH][cH]c(Cl)c1[CH3]
[!#1][NH]c1[cH][cH][cH]c(Cl)c1Cl
[!#1][NH]c1[cH][cH][cH]c(F)[cH]1
[!#1][NH]c1[cH][cH][cH]c(O[!#1])[cH]1
[!#1][NH]c1[cH][cH][cH]c2[cH][cH][cH][cH]c12
[!#1][NH]c1[cH][cH][cH]c2[cH][cH][cH]nc12
[!#1][NH]c1[cH][cH][cH]c2c([NH][!#1])[cH][cH][cH]c12
[!#1][NH]c1[cH][cH][cH]c2C(=O)c3[cH][cH][cH][cH]c3C(=O)c12
[!#1][NH]c1[cH][cH]c([!#1])[cH][cH]1
[!#1][NH]c1[cH][cH]c([!#1])[cH]c1[CH3]
[!#1][NH]c1[cH][cH]c([!#1])[cH]c1[N+](=O)[O-]
[!#1][NH]c1[cH][cH]c([!#1])c([cH]1)S(=O)(=O)c2[cH]c([NH][!#1])[cH][cH]c2[!#1]
[!#1][NH]c1[cH][cH]c([CH]([!#1])[!#1])c([cH]1)S(=O)(=O)[OH]
[!#1][NH]c1[cH][cH]c([cH][cH]1)[CH]([!#1])[!#1]
[!#1][NH]c1[cH][cH]c([cH][cH]1)[CH]([CH3])[CH3]
[!#1][NH]c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1][NH]c1[cH][cH]c([cH][cH]1)C(=O)[!#1]
[!#1][NH]c1[cH][cH]c([cH][cH]1)C(=O)[CH3]
[!#1][NH]c1[cH][cH]c([cH][cH]1)C(=O)[OH]
[!#1][NH]c1[cH][cH]c([cH][cH]1)S(=O)(=O)[!#1]
[!#1][NH]c1[cH][cH]c([cH]c1[N+](=O)[O-])[N+](=O)[O-]
[!#1][NH]c1[cH][cH]c([cH]c1[N+](=O)[O-])C(=O)[OH]
[!#1][NH]c1[cH][cH]c([cH]c1C(=N[NH]C(=O)[CH2]O[!#1])C(=O)[!#1])[N+](=O)[O-]
[!#1][NH]c1[cH][cH]c([CH2][CH2]c2[cH][cH][cH][cH]c2[!#1])c([NH][!#1])[cH]1
[!#1][NH]c1[cH][cH]c([CH2]c2[cH][cH]c([NH][!#1])[cH][cH]2)[cH][cH]1
[!#1][NH]c1[cH][cH]c([CH3])[cH][cH]1
[!#1][NH]c1[cH][cH]c([CH3])[cH]c1[CH3]
[!#1][NH]c1[cH][cH]c([CH3])[cH]c1[N+](=O)[O-]
[!#1][NH]c1[cH][cH]c([CH3])c([cH]1)[N+](=O)[O-]
[!#1][NH]c1[cH][cH]c([CH3])c([CH3])[cH]1
[!#1][NH]c1[cH][cH]c([CH3])c([NH][!#1])[cH]1
[!#1][NH]c1[cH][cH]c([N+](=O)[O-])c2nonc12
[!#1][NH]c1[cH][cH]c([NH][!#1])[cH][cH]1
[!#1][NH]c1[cH][cH]c([OH])[cH][cH]1
[!#1][NH]c1[cH][cH]c(Br)[cH][cH]1
[!#1][NH]c1[cH][cH]c(Br)[cH]c1C(=O)[!#1]
[!#1][NH]c1[cH][cH]c(Br)[cH]n1
[!#1][NH]c1[cH][cH]c(Cl)[cH][cH]1
[!#1][NH]c1[cH][cH]c(Cl)[cH]c1[N+](=O)[O-]
[!#1][NH]c1[cH][cH]c(Cl)[cH]c1C(=O)[!#1]
[!#1][NH]c1[cH][cH]c(Cl)[cH]c1Cl
[!#1][NH]c1[cH][cH]c(Cl)[cH]n1
[!#1][NH]c1[cH][cH]c(Cl)c([cH]1)[N+](=O)[O-]
[!#1][NH]c1[cH][cH]c(Cl)c(Cl)[cH]1
[!#1][NH]c1[cH][cH]c(F)[cH][cH]1
[!#1][NH]c1[cH][cH]c(F)c(Cl)[cH]1
[!#1][NH]c1[cH][cH]c(I)[cH][cH]1
[!#1][NH]c1[cH][cH]c(N([!#1])[CH2][CH3])c2c([cH][cH][cH]c12)C(=O)[!#1]
[!#1][NH]c1[cH][cH]c(N=Nc2[cH][cH][cH][cH][cH]2)[cH][cH]1
[!#1][NH]c1[cH][cH]c(N=Nc2[cH][cH][cH][cH]c2[CH3])[cH]c1[CH3]
[!#1][NH]c1[cH][cH]c(O[!#1])[cH][cH]1
[!#1][NH]c1[cH][cH]c(O[!#1])[cH]c1[N+](=O)[O-]
[!#1][NH]c1[cH][cH]c(O[CH3])nn1
[!#1][NH]c1[cH][cH]c2[cH][cH][cH][cH]c2[cH]1
[!#1][NH]c1[cH][cH]c2[cH][cH][cH]c([OH])c2n1
[!#1][NH]c1[cH][cH]c2[CH2][CH2]c3[cH][cH][cH][cH]c3N([!#1])c2[cH]1
[!#1][NH]c1[cH][cH]c2c([cH]1)oc3[cH][cH][cH][cH]c32
[!#1][NH]c1[cH][cH]c2nc([!#1])[nH]c2[cH]1
[!#1][NH]c1[cH][cH]c2nonc2c1[N+](=O)[O-]
[!#1][NH]c1[cH][cH]c2O[CH2]Oc2[cH]1
[!#1][NH]c1[cH][cH]c2oc([!#1])nc2[cH]1
[!#1][NH]c1[cH][cH]n[cH][cH]1
[!#1][NH]c1[cH][cH]nc2[cH]c3[cH][cH][cH][cH]c3[cH]c12
[!#1][NH]c1[cH]c([!#1])nc2[cH][cH][cH][cH]c12
[!#1][NH]c1[cH]c([cH][cH]c1[CH3])[N+](=O)[O-]
[!#1][NH]c1[cH]c([cH][cH]c1C(=O)[OH])[N+](=O)[O-]
[!#1][NH]c1[cH]c([cH][cH]c1Cl)C(F)(F)F
[!#1][NH]c1[cH]c([cH]c([cH]1)[N+](=O)[O-])C(=O)[OH]
[!#1][NH]c1[cH]c([cH]c([cH]1)C(=O)[OH])C(=O)[OH]
[!#1][NH]c1[cH]c([CH3])[cH][cH]c1[CH3]
[!#1][NH]c1[cH]c([CH3])[cH][cH]n1
[!#1][NH]c1[cH]c([CH3])[cH]c([CH3])[cH]1
[!#1][NH]c1[cH]c([CH3])nc2[cH][cH][cH][cH]c12
[!#1][NH]c1[cH]c(Cl)[cH][cH]c1Cl
[!#1][NH]c1[cH]c(Cl)[cH][cH]c1O[!#1]
[!#1][NH]c1[cH]c(O[!#1])c(O[!#1])[cH]c1C(=O)[!#1]
[!#1][NH]c1[cH]c(O[CH3])nc(O[CH3])n1
[!#1][NH]c1[cH]nc2[cH][cH][cH][cH]c2[cH]1
[!#1][NH]c1[nH]nc([CH3])c1[N+](=O)[O-]
[!#1][NH]C1=[CH]C(=O)c2[cH][cH][cH][cH]c2C1=O
[!#1][NH]c1c([cH][cH]c2nonc12)[N+](=O)[O-]
[!#1][NH]c1c([cH]c([cH]c1[N+](=O)[O-])[N+](=O)[O-])C(=O)[OH]
[!#1][NH]c1c([cH]c([cH]c1[N+](=O)[O-])C(=O)[OH])[N+](=O)[O-]
[!#1][NH]c1c([cH]c([N+](=O)[O-])c2[cH][cH][cH][cH]c12)[N+](=O)[O-]
[!#1][NH]c1c([CH3])[cH][cH][cH]c1[CH3]
[!#1][NH]c1c([CH3])[cH]c([CH3])[cH]c1[CH3]
[!#1][NH]c1c([CH3])c([CH2][CH3])nc2[cH][cH][cH][cH]c12
[!#1][NH]c1c([CH3])n([!#1])n([!#1])c1=O
[!#1][NH]c1c([N+](=O)[O-])c(=O)oc2[cH][cH][cH][cH]c12
[!#1][NH]c1c2[cH][cH][cH][cH]c2nc3[cH][cH][cH][cH]c13
[!#1][NH]c1c2[CH2][CH2][CH2]c2nc3[cH][cH][cH][cH]c13
[!#1][NH]c1c2[CH2][CH2][CH2]c2nc3[CH2][CH2][CH2][CH2]c13
[!#1][NH]c1n[cH][cH][cH]n1
[!#1][NH]c1n[cH][cH]nc1O[CH3]
[!#1][NH]c1n[cH][cH]s1
[!#1][NH]c1n[cH][nH]n1
[!#1][NH]c1n[cH]nc2n([!#1])[cH]nc12
[!#1][NH]c1n[cH]nc2sc3[CH2][CH2][CH2][CH2]c3c12
[!#1][NH]c1n[nH]c(=O)[nH]c1=O
[!#1][NH]c1nc([!#1])[cH]s1
[!#1][NH]c1nc([!#1])nc([!#1])n1
[!#1][NH]c1nc([!#1])nc(Cl)n1
[!#1][NH]c1nc([!#1])nc(n1)N2[CH2][CH2]O[CH2][CH2]2
[!#1][NH]c1nc([!#1])nc(O[CH](C(F)(F)F)C(F)(F)F)n1
[!#1][NH]c1nc([cH]s1)c2[cH][cH][cH][cH][cH]2
[!#1][NH]c1nc([cH]s1)c2[cH][cH]c([!#1])[cH][cH]2
[!#1][NH]c1nc([CH3])[cH]c([CH3])n1
[!#1][NH]c1nc(Cl)nc(Cl)n1
[!#1][NH]c1nc(O[CH](C(F)(F)F)C(F)(F)F)nc(O[CH](C(F)(F)F)C(F)(F)F)n1
[!#1][NH]c1nc2[cH][cH][cH][cH]c2n1[!#1]
[!#1][NH]c1nc2[cH][cH][cH][cH]c2nc1[!#1]
[!#1][NH]c1nc2[cH][cH][cH][cH]c2nc1[NH][!#1]
[!#1][NH]c1nc2[cH][cH][cH][cH]c2s1
[!#1][NH]c1nc2[CH2][CH2][CH2][CH2]c2s1
[!#1][NH]c1nc2nonc2nc1[!#1]
[!#1][NH]c1nnc([CH2][CH3])s1
[!#1][NH]c1nnc([CH3])s1
[!#1][NH]c1sc([CH3])c([CH3])c1C(=O)[!#1]
[!#1][NH]c1sc2[CH2][CH2][CH2][CH2]c2c1C(=O)[!#1]
[!#1][NH]N([!#1])[!#1]
[!#1][NH]N=[CH][!#1]
[!#1][NH]N=C([!#1])[!#1]
[!#1][NH]N=C([!#1])[CH3]
[!#1][NH]N=C([!#1])N=N[!#1]
[!#1][NH]N=C1C(=N[NH]C1=O)[!#1]
[!#1][NH]N=C1C(=NN(C1=O)c2[cH][cH][cH][cH][cH]2)[!#1]
[!#1][NH]N=C1C(=NN(C1=O)c2nc([cH]s2)c3[cH][cH][cH][cH][cH]3)[!#1]
[!#1][NH]N=C1C(=O)[NH]C(=O)[NH]C1=O
[!#1][NH]N=C1C(=O)[NH]C(=S)[NH]C1=O
[!#1][NH]N=N[!#1]
[!#1][NH]n1[cH]nn[cH]1
[!#1][NH]P(=O)(O[CH]([CH3])[CH3])O[CH]([CH3])[CH3]
[!#1][NH]P(=O)(O[CH2][CH]([CH3])[CH3])O[CH2][CH]([CH3])[CH3]
[!#1][NH]P(=O)(O[CH2][CH3])O[CH2][CH3]
[!#1][NH]S(=O)(=O)[!#1]
[!#1][NH]S(=O)(=O)[CH2][CH]=[CH2]
[!#1][NH]S(=O)(=O)[CH3]
[!#1][NH]S(=O)(=O)[NH]C([CH3])([CH3])[CH3]
[!#1][NH]S(=O)(=O)[NH]C(=O)N([!#1])[CH3]
[!#1][NH]S(=O)[!#1]
[!#1][NH]S[!#1]
[!#1][NH2]
[!#1][O-]
[!#1][OH]
[!#1][SH]
[!#1]Br
[!#1]C#C[!#1]
[!#1]C#CC([CH3])([CH3])[OH]
[!#1]C#N
[!#1]C([!#1])([!#1])[!#1]
[!#1]C([!#1])([!#1])[CH2][CH3]
[!#1]C([!#1])([!#1])[CH3]
[!#1]C([!#1])([!#1])[OH]
[!#1]C([!#1])([!#1])c1[cH][cH][cH][cH][cH]1
[!#1]C([!#1])([CH3])[CH2][CH3]
[!#1]C([!#1])([CH3])[CH3]
[!#1]C([!#1])([CH3])[OH]
[!#1]C([!#1])([OH])c1[cH][cH][cH][cH][cH]1
[!#1]C([!#1])(C#N)C#N
[!#1]C([!#1])(Cl)C([!#1])([!#1])[N+](=O)[O-]
[!#1]C([!#1])(Cl)Cl
[!#1]C([CH3])([CH3])[CH2][CH]([CH3])[OH]
[!#1]C([CH3])([CH3])[CH2][CH]([CH3])OC(=O)C([CH3])([CH3])[CH3]
[!#1]C([CH3])([CH3])[CH2][CH]=C([CH3])[CH2][CH2][CH]=C([CH3])[CH3]
[!#1]C([CH3])([CH3])[CH2][CH3]
[!#1]C([CH3])([CH3])[CH2][OH]
[!#1]C([CH3])([CH3])[CH2]C([CH3])([CH3])[CH3]
[!#1]C([CH3])([CH3])[CH2]N([CH3])[CH3]
[!#1]C([CH3])([CH3])[CH3]
[!#1]C([OH])([CH2][CH]=[CH2])[CH2][CH]=[CH2]
[!#1]C([OH])(C(=O)O[CH2][CH3])C(F)(F)F
[!#1]C([OH])(C(=O)O[CH3])C(F)(F)F
[!#1]C([OH])(C(F)(F)F)C(F)(F)F
[!#1]C(=[CH]C(=O)[CH3])[CH3]
[!#1]C(=[CH]C(=O)O[CH2][CH3])[CH3]
[!#1]C(=N[NH]C(=O)[!#1])[!#1]
[!#1]C(=N[NH]C(=O)[!#1])[CH3]
[!#1]C(=N[NH]C(=O)[NH2])[CH3]
[!#1]C(=N[NH]S(=O)(=O)[!#1])[CH3]
[!#1]C(=N[OH])[!#1]
[!#1]C(=N[OH])[CH2][CH]([CH3])[CH3]
[!#1]C(=N[OH])[CH2][CH3]
[!#1]C(=N[OH])[CH3]
[!#1]C(=N[OH])N([CH2][CH3])[CH2][CH3]
[!#1]C(=NN=C([!#1])[CH3])[CH3]
[!#1]C(=NO[CH2][CH3])[CH2][CH2][CH3]
[!#1]C(=NO[CH2]ON=C([!#1])[CH3])[CH3]
[!#1]C(=NOC(=O)[!#1])[CH3]
[!#1]C(=O)[!#1]
[!#1]C(=O)[CH]([CH]1[CH2][CH2][CH2][CH2][CH2]1)C(=O)[!#1]
[!#1]C(=O)[CH]([CH3])[CH3]
[!#1]C(=O)[CH]([CH3])c1[cH][cH]c([CH2][CH]([CH3])[CH3])[cH][cH]1
[!#1]C(=O)[CH]([CH3])N([CH3])[CH3]
[!#1]C(=O)[CH](c1[cH][cH][cH][cH][cH]1)c2[cH][cH][cH][cH][cH]2
[!#1]C(=O)[CH](F)F
[!#1]C(=O)[CH]1[CH]([CH]2c3[cH][cH][cH][cH]c3[CH]1c4[cH][cH][cH][cH]c24)C(=O)[OH]
[!#1]C(=O)[CH]1[CH]2[CH2][CH2][CH2][CH2][CH]12
[!#1]C(=O)[CH]1[CH2][CH]1c2[cH][cH][cH][cH][cH]2
[!#1]C(=O)[CH]1[CH2][CH2][CH2][CH2][CH2]1
[!#1]C(=O)[CH]1[CH2][CH2]1
[!#1]C(=O)[CH]1[CH2][CH2]C([CH3])(C(=O)[OH])C1([CH3])[CH3]
[!#1]C(=O)[CH]1[CH2]C1([CH3])[CH3]
[!#1]C(=O)[CH]1[CH2]C1(c2[cH][cH][cH][cH][cH]2)c3[cH][cH][cH][cH][cH]3
[!#1]C(=O)[CH]1[CH2]C1(c2[cH][cH]c([CH3])[cH][cH]2)c3[cH][cH]c([CH3])[cH][cH]3
[!#1]C(=O)[CH]1[CH2]C21[CH2][CH2][CH2]2
[!#1]C(=O)[CH]1C(=O)C([!#1])([!#1])C(=O)[CH2]C1([CH3])[CH3]
[!#1]C(=O)[CH2][CH]([CH3])[CH2]C(=O)[!#1]
[!#1]C(=O)[CH2][CH]([CH3])[CH3]
[!#1]C(=O)[CH2][CH]([NH2])C(Cl)(Cl)Cl
[!#1]C(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2]C(=O)[!#1]
[!#1]C(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)[CH2][CH2][CH2][CH2][CH2][CH2]C(=O)[!#1]
[!#1]C(=O)[CH2][CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)[CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)[CH2][CH2][CH2][CH2]C(=O)[!#1]
[!#1]C(=O)[CH2][CH2][CH2][CH2]C(=O)[OH]
[!#1]C(=O)[CH2][CH2][CH2][CH3]
[!#1]C(=O)[CH2][CH2][CH2]C(=O)[!#1]
[!#1]C(=O)[CH2][CH2][CH2]C(=O)[OH]
[!#1]C(=O)[CH2][CH2][CH2]c1[cH][cH][cH][cH][cH]1
[!#1]C(=O)[CH2][CH2][CH3]
[!#1]C(=O)[CH2][CH2]Br
[!#1]C(=O)[CH2][CH2]C([CH3])([CH3])C(=O)[!#1]
[!#1]C(=O)[CH2][CH2]C(=O)[!#1]
[!#1]C(=O)[CH2][CH2]C(=O)[OH]
[!#1]C(=O)[CH2][CH2]C(=O)O[CH2]C(=O)[!#1]
[!#1]C(=O)[CH2][CH2]C(=O)O[CH3]
[!#1]C(=O)[CH2][CH2]c1[cH][cH][cH][cH][cH]1
[!#1]C(=O)[CH2][CH2]c1[cH][cH]c([CH3])o1
[!#1]C(=O)[CH2][CH2]N([CH2][CH3])[CH2][CH3]
[!#1]C(=O)[CH2][CH2]N([CH3])[CH3]
[!#1]C(=O)[CH2][CH3]
[!#1]C(=O)[CH2][NH][CH2][CH2][OH]
[!#1]C(=O)[CH2][NH][CH2][CH3]
[!#1]C(=O)[CH2][NH]C([CH3])([CH3])[CH3]
[!#1]C(=O)[CH2][NH]C(=O)[!#1]
[!#1]C(=O)[CH2][NH2]
[!#1]C(=O)[CH2]C([!#1])([OH])C(F)(F)[CH](F)F
[!#1]C(=O)[CH2]C([!#1])([OH])C(F)(F)F
[!#1]C(=O)[CH2]C(=N[NH]c1[cH][cH][cH][cH][cH]1)[CH3]
[!#1]C(=O)[CH2]C(=O)[!#1]
[!#1]C(=O)[CH2]C(=O)[CH3]
[!#1]C(=O)[CH2]C(=O)O[CH2][CH3]
[!#1]C(=O)[CH2]C1([CH2][CH]2[CH2][CH]3[CH2][CH]([CH2]2)[CH2]1)[CH2]3
[!#1]C(=O)[CH2]C1(C(=O)c2[cH][cH][cH][cH]c2C1=O)c3[cH][cH][cH][cH][cH]3
[!#1]C(=O)[CH2]c1[cH][cH][cH][cH][cH]1
[!#1]C(=O)[CH2]c1[cH][cH][cH]c2[cH][cH][cH][cH]c12
[!#1]C(=O)[CH2]Cl
[!#1]C(=O)[CH2]F
[!#1]C(=O)[CH2]N([CH2][CH3])[CH2][CH3]
[!#1]C(=O)[CH2]N([CH3])[CH3]
[!#1]C(=O)[CH2]OC(=O)[!#1]
[!#1]C(=O)[CH2]OC(=O)[CH2][CH2][CH2][CH3]
[!#1]C(=O)[CH2]OC(=O)[CH2][CH2]C(=O)C(=O)O[CH2]C(=O)[!#1]
[!#1]C(=O)[CH2]OC(=O)[CH2][CH2]S(=O)(=O)[!#1]
[!#1]C(=O)[CH2]OC(=O)C(=O)O[CH2]C(=O)[!#1]
[!#1]C(=O)[CH2]SC(=S)[!#1]
[!#1]C(=O)[CH2]SS(=O)(=O)[OH]
[!#1]C(=O)[CH3]
[!#1]C(=O)[NH][CH]([CH]([CH3])[CH3])C(=O)[OH]
[!#1]C(=O)[NH][CH]([CH2][CH]([CH3])[CH3])C(=O)[OH]
[!#1]C(=O)[NH][CH]([CH2][CH]([CH3])[CH3])C(=O)O[CH3]
[!#1]C(=O)[NH][CH]([CH2][CH2][CH2][NH]C(=[NH])[NH2])C(=O)[NH2]
[!#1]C(=O)[NH][CH]([CH2][OH])[CH]([CH3])[CH3]
[!#1]C(=O)[NH][CH]([CH2]C(=O)O[CH3])C(=O)O[CH3]
[!#1]C(=O)[NH][CH]([CH3])[CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)[NH][CH]([CH3])[CH2][CH3]
[!#1]C(=O)[NH][CH]([CH3])[CH3]
[!#1]C(=O)[NH][CH]([CH3])C(=O)[OH]
[!#1]C(=O)[NH][CH]([NH]C([CH3])([CH3])[CH3])C(Cl)(Cl)Cl
[!#1]C(=O)[NH][CH](N([CH2][CH3])[CH2][CH3])C(Cl)(Cl)Cl
[!#1]C(=O)[NH][CH2][CH]([CH3])[CH3]
[!#1]C(=O)[NH][CH2][CH]=[CH2]
[!#1]C(=O)[NH][CH2][CH2][CH2][CH2][CH2][CH2][NH]C(=O)[!#1]
[!#1]C(=O)[NH][CH2][CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)[NH][CH2][CH2][CH2][CH2][CH2]C(=O)[OH]
[!#1]C(=O)[NH][CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)[NH][CH2][CH2][CH2][CH2][NH]C(=O)[!#1]
[!#1]C(=O)[NH][CH2][CH2][CH2][CH3]
[!#1]C(=O)[NH][CH2][CH2][CH2][OH]
[!#1]C(=O)[NH][CH2][CH2][CH2]C(=O)[OH]
[!#1]C(=O)[NH][CH2][CH2][CH2]N([CH3])[CH3]
[!#1]C(=O)[NH][CH2][CH2][CH3]
[!#1]C(=O)[NH][CH2][CH2][NH]C(=O)[!#1]
[!#1]C(=O)[NH][CH2][CH2][OH]
[!#1]C(=O)[NH][CH2][CH2]C(=O)[OH]
[!#1]C(=O)[NH][CH2][CH2]N([CH2][CH3])[CH2][CH3]
[!#1]C(=O)[NH][CH2][CH2]OC(=O)[!#1]
[!#1]C(=O)[NH][CH2][CH2]OC(=O)[CH3]
[!#1]C(=O)[NH][CH2][CH3]
[!#1]C(=O)[NH][CH2]C(=O)[OH]
[!#1]C(=O)[NH][CH2]C(=O)O[CH2][CH3]
[!#1]C(=O)[NH][CH2]C(=O)O[CH3]
[!#1]C(=O)[NH][CH2]OC(=O)[!#1]
[!#1]C(=O)[NH][CH3]
[!#1]C(=O)[NH][NH]C(=O)[!#1]
[!#1]C(=O)[NH][NH]C(=O)[CH]=[CH]C(=O)[OH]
[!#1]C(=O)[NH][NH]C(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)[NH][NH]C(=O)[CH2][CH2]C(=O)[OH]
[!#1]C(=O)[NH][NH]C(=O)[CH3]
[!#1]C(=O)[NH][NH]C(=O)C(F)(F)F
[!#1]C(=O)[NH][NH]C(=S)[NH]C(=O)[!#1]
[!#1]C(=O)[NH][NH]C(=S)[NH2]
[!#1]C(=O)[NH][NH]S(=O)(=O)[!#1]
[!#1]C(=O)[NH][NH2]
[!#1]C(=O)[NH][OH]
[!#1]C(=O)[NH]C([!#1])([!#1])[CH3]
[!#1]C(=O)[NH]C([CH2][OH])([CH2][OH])[CH2][OH]
[!#1]C(=O)[NH]C([CH3])([CH3])[CH3]
[!#1]C(=O)[NH]C(=S)[!#1]
[!#1]C(=O)[NH]c1[cH][cH][cH][cH][cH]1
[!#1]C(=O)[NH]c1[cH][cH][cH]c(Cl)[cH]1
[!#1]C(=O)[NH]c1[cH][cH][cH]c2[cH][cH][cH][cH]c12
[!#1]C(=O)[NH]c1[cH][cH]c([cH][cH]1)S(=O)(=O)[!#1]
[!#1]C(=O)[NH]c1[cH][cH]c(Cl)[cH][cH]1
[!#1]C(=O)[NH]c1[cH][cH]c(Cl)c(Cl)[cH]1
[!#1]C(=O)[NH]c1nc([CH3])[cH]c([CH3])n1
[!#1]C(=O)[NH]c1nc([CH3])nc(O[CH3])n1
[!#1]C(=O)[NH]N=[CH][CH]=[CH]c1[cH][cH][cH][cH][cH]1
[!#1]C(=O)[NH]N=[CH][CH]=N[NH]C(=O)[!#1]
[!#1]C(=O)[NH]N=[CH][CH2][CH2][CH3]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH][cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1[N+](=O)[O-]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1[OH]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1Cl
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1F
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1O[CH3]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH][nH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH]c([CH2][CH]=[CH2])c1[OH]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH]n[cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH]o1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH][cH]s1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c([!#1])[cH][cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c([!#1])[cH]c1[OH]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c([cH][cH]1)c2[cH][cH][cH][cH][cH]2
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c([cH][cH]1)N([CH3])[CH3]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c([CH3])o1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c([OH])[cH][cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c([OH])c(O[CH3])[cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c(Br)[cH][cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c(Cl)[cH][cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c(Cl)[cH]c1Cl
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c(F)[cH][cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c(O[CH3])[cH][cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c(O[CH3])[cH]c1O[CH3]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c(O[CH3])c(O[CH3])[cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c(o1)[N+](=O)[O-]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c(s1)[N+](=O)[O-]
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c2n([CH2][CH3])c3[cH][cH][cH][cH]c3c2[cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]c2O[CH2]Oc2[cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][cH]n[cH][cH]1
[!#1]C(=O)[NH]N=[CH]c1[cH][nH]c2[cH][cH][cH][cH]c12
[!#1]C(=O)[NH]N=[CH]c1[cH]c([cH][cH]c1[OH])[N+](=O)[O-]
[!#1]C(=O)[NH]N=[CH]c1[cH]c([CH3])[cH][cH]c1[OH]
[!#1]C(=O)[NH]N=[CH]c1[cH]c(Cl)[cH][cH]c1[OH]
[!#1]C(=O)[NH]N=[CH]c1[cH]c(Cl)[cH]c(Cl)c1O[CH3]
[!#1]C(=O)[NH]N=[CH]c1[cH]c2O[CH2]Oc2[cH]c1[N+](=O)[O-]
[!#1]C(=O)[NH]N=[CH]c1[cH]c2O[CH2]Oc2[cH]c1Br
[!#1]C(=O)[NH]N=[CH]c1c([OH])[cH][cH]c2[cH][cH][cH][cH]c12
[!#1]C(=O)[NH]N=[CH]c1nc2[cH][cH][cH][cH]c2[nH]1
[!#1]C(=O)[NH]N=C([!#1])[CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)[NH]N=C([!#1])[CH2][CH2][CH2][CH3]
[!#1]C(=O)[NH]N=C([!#1])[CH2][CH2][CH3]
[!#1]C(=O)[NH]N=C([!#1])[CH2][CH3]
[!#1]C(=O)[NH]N=C([CH3])[CH]=[CH]c1[cH][cH][cH][cH][cH]1
[!#1]C(=O)[NH]N=C([CH3])[CH]1[CH2][CH2]1
[!#1]C(=O)[NH]N=C([CH3])[CH2][CH]([CH3])[CH3]
[!#1]C(=O)[NH]N=C([CH3])[CH2][CH2][CH]=[CH2]
[!#1]C(=O)[NH]N=C([CH3])[CH2][CH2][CH2][CH3]
[!#1]C(=O)[NH]N=C([CH3])[CH2][NH]C(=O)[CH3]
[!#1]C(=O)[NH]N=C([CH3])[CH2]C(=O)[CH3]
[!#1]C(=O)[NH]N=C([CH3])[CH3]
[!#1]C(=O)[NH]N=C([CH3])C(=N[OH])[CH3]
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH][cH][cH][cH]1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH][cH][cH]c1[OH]
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH][cH]c([NH2])[cH]1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH][cH]o1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c([!#1])[cH][cH]1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c([cH][cH]1)c2[cH][cH][cH][cH][cH]2
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c([NH2])[cH][cH]1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c([OH])[cH][cH]1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c(Br)[cH][cH]1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c(Cl)[cH][cH]1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c(Cl)s1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c(F)[cH][cH]1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c(O[CH3])[cH][cH]1
[!#1]C(=O)[NH]N=C([CH3])c1[cH][cH]c(O[CH3])[cH]c1O[CH3]
[!#1]C(=O)[NH]N=C([CH3])c1[cH]c([OH])[cH][cH]c1[OH]
[!#1]C(=O)[NH]N=C1[CH2][CH2][CH2][CH2][CH2]1
[!#1]C(=O)[NH]N=C1[CH2][CH2][CH2][CH2]1
[!#1]C(=O)[NH]N=C1[CH2]C(=O)[CH2]C([CH3])([CH3])[CH2]1
[!#1]C(=O)[NH]N=C1C(=O)[NH]c2[cH][cH][cH][cH]c12
[!#1]C(=O)[NH]N=C1C(=O)[NH]c2[cH][cH]c([!#1])[cH]c12
[!#1]C(=O)[NH]N=c1c(=O)c2[cH][cH][cH][cH]c2c1=O
[!#1]C(=O)[NH]N=C1c2nn([!#1])nc2C(=N[NH]C(=O)[!#1])c3nn([!#1])nc13
[!#1]C(=O)[NH]S(=O)(=O)[!#1]
[!#1]C(=O)[NH2]
[!#1]C(=O)[OH]
[!#1]C(=O)C([!#1])([!#1])[CH3]
[!#1]C(=O)C([!#1])([!#1])[OH]
[!#1]C(=O)C([!#1])([!#1])C#N
[!#1]C(=O)C([!#1])([!#1])C(=O)[!#1]
[!#1]C(=O)C([CH2][CH3])([CH2][CH3])C(=O)[!#1]
[!#1]C(=O)C([CH3])([CH3])[CH3]
[!#1]C(=O)C([OH])(c1[cH][cH][cH][cH][cH]1)c2[cH][cH][cH][cH][cH]2
[!#1]C(=O)C([OH])(c1[cH][cH]c(Br)[cH][cH]1)c2[cH][cH]c(Br)[cH][cH]2
[!#1]C(=O)C(=N[NH]c1[cH][cH]c([cH][cH]1)[N+](=O)[O-])C(=O)[!#1]
[!#1]C(=O)C(=N[NH]c1[cH][cH]c([cH][cH]1)S(=O)(=O)[OH])C(=O)[!#1]
[!#1]C(=O)C(=N[OH])C(=O)O[CH2][CH3]
[!#1]C(=O)C(=O)[!#1]
[!#1]C(=O)C(Cl)(Cl)Cl
[!#1]C(=O)C(F)(F)C(F)(F)F
[!#1]C(=O)C(F)(F)F
[!#1]C(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
[!#1]C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
[!#1]C(=O)C1([CH2][CH]2[CH2][CH]3[CH2][CH]([CH2]2)[CH2]1)[CH2]3
[!#1]C(=O)C1([CH2][CH]2[CH2][CH]3[CH2]1)[CH2][CH]([CH2]2)[CH2][CH2]3
[!#1]C(=O)c1[cH][cH][cH][cH][cH]1
[!#1]C(=O)c1[cH][cH][cH][cH]c1[!#1]
[!#1]C(=O)c1[cH][cH][cH][cH]c1[CH3]
[!#1]C(=O)c1[cH][cH][cH][cH]c1[N+](=O)[O-]
[!#1]C(=O)c1[cH][cH][cH][cH]c1[OH]
[!#1]C(=O)c1[cH][cH][cH][cH]c1Br
[!#1]C(=O)c1[cH][cH][cH][cH]c1C(=O)[!#1]
[!#1]C(=O)c1[cH][cH][cH][cH]c1C(=O)[OH]
[!#1]C(=O)c1[cH][cH][cH][cH]c1Cl
[!#1]C(=O)c1[cH][cH][cH][cH]c1F
[!#1]C(=O)c1[cH][cH][cH][cH]c1I
[!#1]C(=O)c1[cH][cH][cH][cH]n1
[!#1]C(=O)c1[cH][cH][cH]c([!#1])[cH]1
[!#1]C(=O)c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]C(=O)c1[cH][cH][cH]c([cH]1)C(=O)[!#1]
[!#1]C(=O)c1[cH][cH][cH]c([cH]1)S(=O)(=O)[!#1]
[!#1]C(=O)c1[cH][cH][cH]c([CH3])[cH]1
[!#1]C(=O)c1[cH][cH][cH]c(Br)[cH]1
[!#1]C(=O)c1[cH][cH][cH]c(Cl)[cH]1
[!#1]C(=O)c1[cH][cH][cH]c(F)[cH]1
[!#1]C(=O)c1[cH][cH][cH]c(I)[cH]1
[!#1]C(=O)c1[cH][cH][cH]c2[cH][cH][cH][cH]c12
[!#1]C(=O)c1[cH][cH][cH]n[cH]1
[!#1]C(=O)c1[cH][cH][cH]o1
[!#1]C(=O)c1[cH][cH][cH]s1
[!#1]C(=O)c1[cH][cH][n+]([O-])[cH][cH]1
[!#1]C(=O)c1[cH][cH]c([!#1])[cH][cH]1
[!#1]C(=O)c1[cH][cH]c([!#1])c([cH]1)[N+](=O)[O-]
[!#1]C(=O)c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1]C(=O)c1[cH][cH]c([cH][cH]1)C([CH3])([CH3])[CH3]
[!#1]C(=O)c1[cH][cH]c([cH][cH]1)C(=O)[!#1]
[!#1]C(=O)c1[cH][cH]c([cH][cH]1)c2[cH][cH][cH][cH][cH]2
[!#1]C(=O)c1[cH][cH]c([cH][cH]1)S(=O)(=O)[!#1]
[!#1]C(=O)c1[cH][cH]c([cH]c1[N+](=O)[O-])[N+](=O)[O-]
[!#1]C(=O)c1[cH][cH]c([cH]c1C(=O)[OH])[N+](=O)[O-]
[!#1]C(=O)c1[cH][cH]c([CH3])[cH][cH]1
[!#1]C(=O)c1[cH][cH]c([CH3])c([cH]1)S(=O)(=O)[!#1]
[!#1]C(=O)c1[cH][cH]c([OH])[cH][cH]1
[!#1]C(=O)c1[cH][cH]c(Br)[cH][cH]1
[!#1]C(=O)c1[cH][cH]c(Br)c([cH]1)[N+](=O)[O-]
[!#1]C(=O)c1[cH][cH]c(Br)o1
[!#1]C(=O)c1[cH][cH]c(Cl)[cH][cH]1
[!#1]C(=O)c1[cH][cH]c(Cl)[cH]c1Cl
[!#1]C(=O)c1[cH][cH]c(Cl)c([cH]1)[N+](=O)[O-]
[!#1]C(=O)c1[cH][cH]c(Cl)c(Cl)[cH]1
[!#1]C(=O)c1[cH][cH]c(F)[cH][cH]1
[!#1]C(=O)c1[cH][cH]c(F)c(F)[cH]1
[!#1]C(=O)c1[cH][cH]c(o1)[N+](=O)[O-]
[!#1]C(=O)c1[cH][cH]c2[cH][cH][cH][cH]c2[cH]1
[!#1]C(=O)c1[cH][cH]c2n([!#1])c([CH3])c([CH3])c2[cH]1
[!#1]C(=O)c1[cH][cH]n[cH][cH]1
[!#1]C(=O)c1[cH]c([cH][cH]c1Cl)[N+](=O)[O-]
[!#1]C(=O)c1[cH]c([cH]c([cH]1)[N+](=O)[O-])[N+](=O)[O-]
[!#1]C(=O)c1[cH]c([cH]c([cH]1)C([CH3])([CH3])[CH3])C([CH3])([CH3])[CH3]
[!#1]C(=O)c1[cH]c([N+](=O)[O-])c([CH3])c([cH]1)[N+](=O)[O-]
[!#1]C(=O)c1[cH]c(Cl)[cH][cH]c1[OH]
[!#1]C(=O)c1[cH]c(Cl)[cH]c(Cl)[cH]1
[!#1]C(=O)c1[cH]c2[cH][cH][cH][cH]c2oc1=O
[!#1]C(=O)c1[cH]n([!#1])nc1[!#1]
[!#1]C(=O)c1c([!#1])[cH]nn1[!#1]
[!#1]C(=O)c1c([!#1])n([!#1])c2nc3[cH][cH][cH][cH]c3nc12
[!#1]C(=O)c1c([cH][cH][cH]c1[N+](=O)[O-])C(=O)[OH]
[!#1]C(=O)c1c([cH]nn1[!#1])[N+](=O)[O-]
[!#1]C(=O)c1c([OH])c2[cH][cH][cH][cH]c2oc1=O
[!#1]C(=O)c1c(F)[cH][cH][cH]c1F
[!#1]C(=O)c1c(n[cH]n1[!#1])[N+](=O)[O-]
[!#1]C(=O)c1n[cH][cH]nc1C(=O)[OH]
[!#1]C(=O)c1nn([!#1])[cH]c1Br
[!#1]C(=O)c1sc([!#1])nc1[!#1]
[!#1]C(=O)c1sc2[cH][cH][cH][cH]c2c1Cl
[!#1]C(=O)N([CH]([CH3])[CH3])[CH]([CH3])[CH3]
[!#1]C(=O)N([CH2][CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)N([CH2][CH2]C(=O)[OH])[CH2]C(=O)[OH]
[!#1]C(=O)N([CH2][CH3])[CH2][CH3]
[!#1]C(=O)N([CH3])[CH3]
[!#1]C(=O)n1[cH]nc2[cH][cH][cH][cH]c12
[!#1]C(=O)N1[CH2][CH2][CH2][CH2][CH2][CH2]1
[!#1]C(=O)N1[CH2][CH2][CH2][CH2][CH2]1
[!#1]C(=O)N1[CH2][CH2][CH2][CH2]1
[!#1]C(=O)N1[CH2][CH2]c2[cH][cH][cH][cH]c12
[!#1]C(=O)N1[CH2][CH2]O[CH2][CH2]1
[!#1]C(=O)n1nnc2[cH][cH][cH][cH]c12
[!#1]C(=O)O[CH]([CH3])[CH3]
[!#1]C(=O)O[CH]([CH3])C(=C(Cl)Cl)Cl
[!#1]C(=O)O[CH2][CH]([CH3])[CH3]
[!#1]C(=O)O[CH2][CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)O[CH2][CH2][CH2][CH2][CH3]
[!#1]C(=O)O[CH2][CH2][CH2][CH3]
[!#1]C(=O)O[CH2][CH2][CH2]N([CH3])[CH3]
[!#1]C(=O)O[CH2][CH2][CH3]
[!#1]C(=O)O[CH2][CH2][NH2]
[!#1]C(=O)O[CH2][CH2][OH]
[!#1]C(=O)O[CH2][CH2]N([CH2][CH3])[CH2][CH3]
[!#1]C(=O)O[CH2][CH2]N([CH3])[CH3]
[!#1]C(=O)O[CH2][CH3]
[!#1]C(=O)O[CH2]C#[CH]
[!#1]C(=O)O[CH2]C(=C(Cl)Cl)Cl
[!#1]C(=O)O[CH2]C(F)(F)C(F)(F)F
[!#1]C(=O)O[CH3]
[!#1]C(=O)OC([CH3])([CH3])[CH3]
[!#1]C(=O)ON=[CH]c1[cH][cH]c(Br)[cH][cH]1
[!#1]C(=O)ON=C([CH3])C([CH3])([CH3])[CH3]
[!#1]C(=O)ON=C([CH3])c1[cH][cH][cH][cH][cH]1
[!#1]C(=S)[NH][CH2]C(=[CH2])[CH3]
[!#1]C(=S)[NH2]
[!#1]C(=S)S[CH2][CH2]C(=O)[OH]
[!#1]C(Cl)(Cl)Cl
[!#1]C(F)(F)[CH](F)F
[!#1]C(F)(F)C(F)(F)[CH](F)F
[!#1]C(F)(F)C(F)(F)F
[!#1]C(F)(F)F
[!#1]C1([!#1])[CH]2[CH2][CH2]C([CH3])(C1=O)C2([CH3])[CH3]
[!#1]C1([!#1])[CH2][CH2][CH2][CH2][CH2]1
[!#1]C1([!#1])[CH2][CH2][CH2][CH2]1
[!#1]C1([!#1])C(=NN(C1=O)c2[cH][cH]c([cH][cH]2)[N+](=O)[O-])[CH3]
[!#1]C1([!#1])C(=O)[CH2]C([CH3])([CH3])[CH2]C1=O
[!#1]C1([!#1])C(=O)c2[cH][cH][cH][cH]c2C1=O
[!#1]C1([!#1])C(=O)N(N=C1c2[cH][cH][cH][cH][cH]2)c3[cH][cH]c([cH][cH]3)[N+](=O)[O-]
[!#1]C1([!#1])C(=O)OC([CH3])([CH3])OC1=O
[!#1]C1([!#1])S(c2[cH][cH][cH][cH]c2C1=O)
[!#1]C1([CH2][CH]2[CH2][CH]3[CH2][CH]([CH2]2)[CH2]1)[CH2]3
[!#1]C1([CH2][CH]2[CH2][CH]3[CH2][CH]2[CH2]1)[CH2]3
[!#1]C1([CH2][CH]2[CH2][CH]3[CH2]1)[CH2][CH]([CH2]2)[CH2][CH2]3
[!#1]C1([CH2][CH]2[CH2][CH]3[CH2]1)[CH2]C([!#1])([CH2]2)[CH2]3
[!#1]C1([CH2][CH]2[CH2][CH]3[CH2]1)[CH2]C([OH])([CH2]2)[CH2]3
[!#1]C1([CH2][CH3])C(=[NH])[NH]C(=O)[NH]C1=O
[!#1]C1([CH2]N2[CH2]N3[CH2]1)C(=O)C([!#1])([CH2]2)[CH2]3
[!#1]C1([CH3])O[CH2][CH2]O1
[!#1]C1([OH])[CH2][CH2][CH2][CH2][CH2]1
[!#1]C1([OH])[CH2][CH2][CH2][CH2]1
[!#1]C1([OH])C(=O)[NH]c2[cH][cH][cH][cH]c21
[!#1]C1([OH])N(C(=O)[NH]c2[cH][cH][cH][cH]c21)c3[cH][cH][cH][cH][cH]3
[!#1]C1(C(=O)c2[cH][cH][cH][cH]c2C1=O)c3[cH][cH][cH][cH][cH]3
[!#1]C1(C(=O)N(c2[cH][cH][cH][cH]c21)c3[cH][cH][cH][cH][cH]3)C(F)(F)F
[!#1]C1(F)OC([!#1])(F)C([!#1])(F)C1([!#1])F
[!#1]C1(F)OC(F)(F)C(F)(F)C1(F)F
[!#1]C1(O[CH]2[CH]=[CH]1)[CH]3[CH]2C(=O)N(C3=O)c4[cH][cH][cH][cH][cH]4
[!#1]C1(Oc2[cH][cH][cH][cH]c2O1)C(Cl)(Cl)Cl
[!#1]c1[cH][cH][cH][cH][cH]1
[!#1]c1[cH][cH][cH][cH][n+]1[!#1]
[!#1]c1[cH][cH][cH][cH]c1[!#1]
[!#1]c1[cH][cH][cH][cH]c1[CH2][CH3]
[!#1]c1[cH][cH][cH][cH]c1[CH3]
[!#1]c1[cH][cH][cH][cH]c1[N+](=O)[O-]
[!#1]c1[cH][cH][cH][cH]c1[NH2]
[!#1]c1[cH][cH][cH][cH]c1[OH]
[!#1]c1[cH][cH][cH][cH]c1Br
[!#1]c1[cH][cH][cH][cH]c1C#N
[!#1]c1[cH][cH][cH][cH]c1C(=O)[CH3]
[!#1]c1[cH][cH][cH][cH]c1C(=O)[OH]
[!#1]c1[cH][cH][cH][cH]c1C(=O)c2[cH]c([!#1])nnc2[!#1]
[!#1]c1[cH][cH][cH][cH]c1C(F)(F)F
[!#1]c1[cH][cH][cH][cH]c1c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH][cH][cH][cH]c1c2[cH][cH][cH][cH]c2[!#1]
[!#1]c1[cH][cH][cH][cH]c1c2n[nH]c(=S)[nH]c2=O
[!#1]c1[cH][cH][cH][cH]c1c2nc3[cH][cH][cH][cH]c3c(=O)[nH]2
[!#1]c1[cH][cH][cH][cH]c1c2nc3[cH][cH][cH][cH]c3s2
[!#1]c1[cH][cH][cH][cH]c1Cl
[!#1]c1[cH][cH][cH][cH]c1F
[!#1]c1[cH][cH][cH][cH]c1I
[!#1]c1[cH][cH][cH][cH]c1N2C(=O)[CH]=[CH]C2=O
[!#1]c1[cH][cH][cH][cH]c1N2C(=O)[CH]3[CH]([CH]([CH]=[CH][CH]3c4[cH][cH][cH][cH][cH]4)c5[cH][cH][cH][cH][cH]5)C2=O
[!#1]c1[cH][cH][cH][cH]c1O[CH3]
[!#1]c1[cH][cH][cH][cH]n1
[!#1]c1[cH][cH][cH][nH]1
[!#1]c1[cH][cH][cH]c([!#1])[cH]1
[!#1]c1[cH][cH][cH]c([!#1])c1[!#1]
[!#1]c1[cH][cH][cH]c([!#1])c1n2nnnc2C3([!#1])[CH2][CH2][CH2][CH2][CH2]3
[!#1]c1[cH][cH][cH]c([!#1])n1
[!#1]c1[cH][cH][cH]c([CH]=[CH]C(=O)[OH])[cH]1
[!#1]c1[cH][cH][cH]c([cH]1)[CH]2[CH2]C(=N[CH2][CH2]S2)c3c([!#1])[cH]c([!#1])oc3=O
[!#1]c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]c1[cH][cH][cH]c([cH]1)C(=O)[CH3]
[!#1]c1[cH][cH][cH]c([cH]1)C(=O)[OH]
[!#1]c1[cH][cH][cH]c([cH]1)C(F)(F)F
[!#1]c1[cH][cH][cH]c([cH]1)c2[cH]nc3[cH][cH][cH][cH]c3n2
[!#1]c1[cH][cH][cH]c([cH]1)c2nc3[cH][cH][cH][cH]c3o2
[!#1]c1[cH][cH][cH]c([cH]1)c2nc3[cH]c([!#1])[cH][cH]c3o2
[!#1]c1[cH][cH][cH]c([cH]1)N2[CH2][CH2][CH2]C2=O
[!#1]c1[cH][cH][cH]c([cH]1)N2C(=O)c3[cH][cH][cH][cH]c3C2=O
[!#1]c1[cH][cH][cH]c([cH]1)S(=O)(=O)[!#1]
[!#1]c1[cH][cH][cH]c([CH2][CH3])[cH]1
[!#1]c1[cH][cH][cH]c([CH2][OH])[cH]1
[!#1]c1[cH][cH][cH]c([CH3])[cH]1
[!#1]c1[cH][cH][cH]c([CH3])c1[CH3]
[!#1]c1[cH][cH][cH]c([CH3])n1
[!#1]c1[cH][cH][cH]c([N+](=O)[O-])c1[!#1]
[!#1]c1[cH][cH][cH]c([NH2])[cH]1
[!#1]c1[cH][cH][cH]c([OH])[cH]1
[!#1]c1[cH][cH][cH]c(Br)[cH]1
[!#1]c1[cH][cH][cH]c(Cl)[cH]1
[!#1]c1[cH][cH][cH]c(Cl)c1[CH3]
[!#1]c1[cH][cH][cH]c(Cl)c1Cl
[!#1]c1[cH][cH][cH]c(F)[cH]1
[!#1]c1[cH][cH][cH]c(I)[cH]1
[!#1]c1[cH][cH][cH]c(O[CH3])[cH]1
[!#1]c1[cH][cH][cH]c2[cH][cH][cH][cH]c12
[!#1]c1[cH][cH][cH]c2[cH][cH][cH]c([!#1])c12
[!#1]c1[cH][cH][cH]c2[cH][cH][cH]nc12
[!#1]c1[cH][cH][cH]c2[CH2][CH2][CH2][CH2]c12
[!#1]c1[cH][cH][cH]c2c([!#1])[cH][cH][cH]c12
[!#1]c1[cH][cH][cH]c2c(=O)[nH][nH]c(=O)c12
[!#1]c1[cH][cH][cH]c2C(=O)c3[cH][cH][cH][cH]c3C(=O)c12
[!#1]c1[cH][cH][cH]c2C(=O)c3[cH][cH][cH]c([!#1])c3C(=O)c12
[!#1]c1[cH][cH][cH]c2c3[CH2][CH2][CH2][CH2]c3oc12
[!#1]c1[cH][cH][cH]c2n[cH][cH][cH]c12
[!#1]c1[cH][cH][cH]c2nsnc12
[!#1]c1[cH][cH][cH]n[cH]1
[!#1]c1[cH][cH][cH]nc1[!#1]
[!#1]c1[cH][cH][cH]nc1c2[cH]c([!#1])c([!#1])c([!#1])[cH]2
[!#1]c1[cH][cH][cH]nc1c2n[cH][cH][cH]c2[!#1]
[!#1]c1[cH][cH][cH]o1
[!#1]c1[cH][cH][cH]s1
[!#1]c1[cH][cH][n+]([!#1])[cH][cH]1
[!#1]c1[cH][cH][n+]([!#1])c2[cH][cH][cH][cH]c12
[!#1]c1[cH][cH][n+]([O-])[cH][cH]1
[!#1]c1[cH][cH]c([!#1])[cH][cH]1
[!#1]c1[cH][cH]c([!#1])[cH]c1S(=O)(=O)c2[cH]c([!#1])[cH][cH]c2[!#1]
[!#1]c1[cH][cH]c([!#1])[n+]([!#1])[cH]1
[!#1]c1[cH][cH]c([!#1])c([!#1])[cH]1
[!#1]c1[cH][cH]c([!#1])c([!#1])c1[!#1]
[!#1]c1[cH][cH]c([!#1])c([!#1])n1
[!#1]c1[cH][cH]c([!#1])c([cH]1)[N+](=O)[O-]
[!#1]c1[cH][cH]c([!#1])c([cH]1)C(=O)[OH]
[!#1]c1[cH][cH]c([!#1])c([cH]1)c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH][cH]c([!#1])c([cH]1)c2nc3[cH][cH][cH][cH]c3s2
[!#1]c1[cH][cH]c([!#1])c([CH3])[cH]1
[!#1]c1[cH][cH]c([!#1])c([OH])[cH]1
[!#1]c1[cH][cH]c([!#1])c(Cl)[cH]1
[!#1]c1[cH][cH]c([!#1])c2[cH][cH][cH][cH]c12
[!#1]c1[cH][cH]c([!#1])c2c([!#1])[cH][cH][cH]c12
[!#1]c1[cH][cH]c([!#1])c2n[cH][cH][cH]c12
[!#1]c1[cH][cH]c([!#1])c2nonc12
[!#1]c1[cH][cH]c([!#1])n[cH]1
[!#1]c1[cH][cH]c([!#1])n1c2[cH][cH]c([!#1])[cH][cH]2
[!#1]c1[cH][cH]c([!#1])nn1
[!#1]c1[cH][cH]c([!#1])o1
[!#1]c1[cH][cH]c([!#1])s1
[!#1]c1[cH][cH]c([cH][cH]1)[CH]([CH3])[CH3]
[!#1]c1[cH][cH]c([cH][cH]1)[CH]2[CH]3[CH2][CH]4[CH2][CH]([CH2]3)[CH2][CH]2[CH2]4
[!#1]c1[cH][cH]c([cH][cH]1)[CH]2[CH2][CH2][CH2][CH2][CH2]2
[!#1]c1[cH][cH]c([cH][cH]1)[CH]2[NH]c3[cH][cH]c4n[cH][cH][cH]c4c3C5=C2C(=O)[CH2][CH2][CH2]5
[!#1]c1[cH][cH]c([cH][cH]1)[CH]2N([CH2][CH2]N2c3[cH][cH][cH][cH][cH]3)c4[cH][cH][cH][cH][cH]4
[!#1]c1[cH][cH]c([cH][cH]1)[CH]2N=NC(=[CH][CH]2c3[cH][cH][cH][cH][cH]3)[CH]4C(=O)c5[cH][cH][cH][cH]c5C4=O
[!#1]c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1]c1[cH][cH]c([cH][cH]1)[NH](=O)[OH]
[!#1]c1[cH][cH]c([cH][cH]1)C([!#1])([CH3])[CH3]
[!#1]c1[cH][cH]c([cH][cH]1)C([CH3])([CH3])[CH3]
[!#1]c1[cH][cH]c([cH][cH]1)C(=N[NH]c2[cH][cH]c([cH]c2[N+](=O)[O-])[N+](=O)[O-])[CH3]
[!#1]c1[cH][cH]c([cH][cH]1)C(=N[OH])[CH3]
[!#1]c1[cH][cH]c([cH][cH]1)C(=O)[CH3]
[!#1]c1[cH][cH]c([cH][cH]1)C(=O)[OH]
[!#1]c1[cH][cH]c([cH][cH]1)C(=O)C(=O)c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH][cH]c([cH][cH]1)C2([!#1])C(=O)c3[cH][cH][cH][cH]c3C2=O
[!#1]c1[cH][cH]c([cH][cH]1)C2([CH2][CH]3[CH2][CH]4[CH2][CH]([CH2]3)[CH2]2)[CH2]4
[!#1]c1[cH][cH]c([cH][cH]1)C2([NH]C(=O)c3[cH][cH][cH][cH]c32)c4[cH][cH]c([!#1])[cH][cH]4
[!#1]c1[cH][cH]c([cH][cH]1)C2(c3[cH][cH][cH][cH]c3-c4[cH][cH][cH][cH]c42)c5[cH][cH]c([!#1])[cH][cH]5
[!#1]c1[cH][cH]c([cH][cH]1)C2(OC(=O)c3[cH][cH][cH][cH]c32)c4[cH][cH]c([!#1])[cH][cH]4
[!#1]c1[cH][cH]c([cH][cH]1)c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH][cH]c([cH][cH]1)c2[cH][cH][cH]c(n2)c3[cH][cH]c([!#1])[cH][cH]3
[!#1]c1[cH][cH]c([cH][cH]1)c2[cH][cH]c([!#1])[cH][cH]2
[!#1]c1[cH][cH]c([cH][cH]1)c2[cH][cH]c([cH][cH]2)S(=O)(=O)[!#1]
[!#1]c1[cH][cH]c([cH][cH]1)c2[cH]c(nc(n2)c3[cH][cH][cH][cH][cH]3)c4[cH][cH]c([!#1])[cH][cH]4
[!#1]c1[cH][cH]c([cH][cH]1)c2[cH]nc(n[cH]2)c3[cH][cH]c([!#1])[cH][cH]3
[!#1]c1[cH][cH]c([cH][cH]1)c2[cH]nc3[cH][cH][cH][cH]c3n2
[!#1]c1[cH][cH]c([cH][cH]1)c2n[cH][cH][cH]c2[!#1]
[!#1]c1[cH][cH]c([cH][cH]1)c2nc([!#1])[cH][cH]c2[!#1]
[!#1]c1[cH][cH]c([cH][cH]1)c2nc([!#1])[cH]c([!#1])c2[!#1]
[!#1]c1[cH][cH]c([cH][cH]1)c2nc(c3[cH][cH]c([!#1])[cH][cH]3)c4[cH][cH][cH][cH]c4n2
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH][cH][cH][cH]c3[nH]2
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH][cH][cH][cH]c3nc2c4[cH][cH][cH][cH][cH]4
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH][cH][cH][cH]c3nc2c4[cH][cH]c([!#1])[cH][cH]4
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH][cH][cH][cH]c3o2
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH][cH][cH][cH]c3s2
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH][cH]c([!#1])[cH]c3[nH]2
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH][cH]c([!#1])[cH]c3o2
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH][cH]c([!#1])[cH]c3s2
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH][cH]c([cH]c3[nH]2)c4nc5[cH][cH]c([!#1])[cH]c5[nH]4
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH]c([!#1])[cH][cH]c3[nH]2
[!#1]c1[cH][cH]c([cH][cH]1)c2nc3[cH]c([!#1])[cH][cH]c3o2
[!#1]c1[cH][cH]c([cH][cH]1)c2sc(c(c2c3[cH][cH][cH][cH][cH]3)c4[cH][cH][cH][cH][cH]4)c5[cH][cH]c([!#1])[cH][cH]5
[!#1]c1[cH][cH]c([cH][cH]1)N([CH3])[CH3]
[!#1]c1[cH][cH]c([cH][cH]1)N2[CH2][CH2][CH2]C2=O
[!#1]c1[cH][cH]c([cH][cH]1)N2[CH2][CH2]C(=N2)c3[cH][cH]c([!#1])[cH][cH]3
[!#1]c1[cH][cH]c([cH][cH]1)N2[CH2][CH2]O[CH2][CH2]2
[!#1]c1[cH][cH]c([cH][cH]1)n2c([CH3])[cH][cH]c2[CH3]
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)[CH]=[CH]C2=O
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)[CH]3[CH]4[CH2][CH]([CH]=[CH]4)[CH]3C2=O
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)[CH2][CH](N3[CH2][CH2][CH2][CH2][CH2]3)C2=O
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)[CH2][CH](N3[CH2][CH2][CH2][CH2]3)C2=O
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)[CH2][CH](N3[CH2][CH2]N([CH2][CH2]3)[CH]4[CH2]C(=O)N(C4=O)c5[cH][cH]c([!#1])[cH][c
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)[CH2][CH](N3[CH2][CH2]N([CH2][CH2]3)c4n[cH][cH][cH]n4)C2=O
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)[CH2][CH](N3[CH2][CH2]O[CH2][CH2]3)C2=O
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)c3[cH][cH][cH][cH]c3C2=O
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)c3[cH][cH][cH]c([!#1])c3C2=O
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)c3[cH][cH]c([!#1])[cH]c3C2=O
[!#1]c1[cH][cH]c([cH][cH]1)N2C(=O)c3[cH][cH]c([cH]c3C2=O)C(=O)[OH]
[!#1]c1[cH][cH]c([cH][cH]1)n2c(=O)c3[cH]c4c(=O)n(c5[cH][cH]c([!#1])[cH][cH]5)c(=O)c4[cH]c3c2=O
[!#1]c1[cH][cH]c([cH][cH]1)S(=O)(=O)[!#1]
[!#1]c1[cH][cH]c([cH][cH]1)S(=O)(=O)[NH2]
[!#1]c1[cH][cH]c([cH][cH]1)S(=O)(=O)[OH]
[!#1]c1[cH][cH]c([cH][cH]1)S(=O)(=O)c2[cH][cH]c([!#1])[cH][cH]2
[!#1]c1[cH][cH]c([CH]=[CH]c2[cH][cH][cH][cH][cH]2)[cH][cH]1
[!#1]c1[cH][cH]c([CH]=[CH]c2[cH][cH]c([!#1])[cH]c2S(=O)(=O)[OH])c([cH]1)S(=O)(=O)[OH]
[!#1]c1[cH][cH]c([CH]=N[NH]c2[cH][cH]c([cH][cH]2)S(=O)(=O)[OH])[cH][cH]1
[!#1]c1[cH][cH]c([CH]=N[NH]c2nc([!#1])nc([!#1])n2)o1
[!#1]c1[cH][cH]c([CH]=O)[cH][cH]1
[!#1]c1[cH][cH]c([cH]c1[!#1])[N+](=O)[O-]
[!#1]c1[cH][cH]c([cH]c1[!#1])C(=O)[OH]
[!#1]c1[cH][cH]c([cH]c1[!#1])c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH][cH]c([cH]c1[!#1])c2[cH][cH]c([!#1])c([!#1])[cH]2
[!#1]c1[cH][cH]c([cH]c1[!#1])c2n[cH][cH][cH]c2[!#1]
[!#1]c1[cH][cH]c([cH]c1[CH3])[N+](=O)[O-]
[!#1]c1[cH][cH]c([cH]c1[CH3])C([CH3])([CH3])[CH3]
[!#1]c1[cH][cH]c([cH]c1[CH3])c2[cH][cH]c([!#1])c([CH3])[cH]2
[!#1]c1[cH][cH]c([cH]c1[N+](=O)[O-])[N+](=O)[O-]
[!#1]c1[cH][cH]c([cH]c1[N+](=O)[O-])C(F)(F)F
[!#1]c1[cH][cH]c([cH]c1[N+](=O)[O-])S(=O)(=O)[!#1]
[!#1]c1[cH][cH]c([cH]c1Br)[N+](=O)[O-]
[!#1]c1[cH][cH]c([cH]c1C(=O)[OH])[N+](=O)[O-]
[!#1]c1[cH][cH]c([cH]c1Cl)[N+](=O)[O-]
[!#1]c1[cH][cH]c([CH2][CH2][CH3])[cH][cH]1
[!#1]c1[cH][cH]c([CH2][CH3])[cH][cH]1
[!#1]c1[cH][cH]c([CH2]c2[cH][cH]c([!#1])[cH][cH]2)[cH][cH]1
[!#1]c1[cH][cH]c([CH3])[cH][cH]1
[!#1]c1[cH][cH]c([CH3])[cH]c1[CH3]
[!#1]c1[cH][cH]c([CH3])[cH]c1[N+](=O)[O-]
[!#1]c1[cH][cH]c([CH3])[cH]c1[OH]
[!#1]c1[cH][cH]c([CH3])[cH]c1Br
[!#1]c1[cH][cH]c([CH3])[cH]n1
[!#1]c1[cH][cH]c([CH3])c([!#1])[cH]1
[!#1]c1[cH][cH]c([CH3])c([cH]1)[N+](=O)[O-]
[!#1]c1[cH][cH]c([CH3])c([CH3])[cH]1
[!#1]c1[cH][cH]c([CH3])c([NH2])[cH]1
[!#1]c1[cH][cH]c([CH3])c(Br)[cH]1
[!#1]c1[cH][cH]c([CH3])c(Cl)[cH]1
[!#1]c1[cH][cH]c([CH3])c(I)[cH]1
[!#1]c1[cH][cH]c([CH3])n[cH]1
[!#1]c1[cH][cH]c([CH3])o1
[!#1]c1[cH][cH]c([N+](=O)[O-])c([CH3])[cH]1
[!#1]c1[cH][cH]c([N+](=O)[O-])c2nonc12
[!#1]c1[cH][cH]c([NH2])[cH][cH]1
[!#1]c1[cH][cH]c([NH2])c([cH]1)[N+](=O)[O-]
[!#1]c1[cH][cH]c([OH])[cH][cH]1
[!#1]c1[cH][cH]c([OH])[cH]c1[OH]
[!#1]c1[cH][cH]c([OH])c([!#1])[cH]1
[!#1]c1[cH][cH]c([OH])c([cH]1)C(=O)[OH]
[!#1]c1[cH][cH]c([OH])c([OH])[cH]1
[!#1]c1[cH][cH]c(=S)[nH]n1
[!#1]c1[cH][cH]c(Br)[cH][cH]1
[!#1]c1[cH][cH]c(Br)[cH]c1[!#1]
[!#1]c1[cH][cH]c(Br)[cH]c1Br
[!#1]c1[cH][cH]c(Br)[cH]n1
[!#1]c1[cH][cH]c(Br)c([!#1])[cH]1
[!#1]c1[cH][cH]c(Br)c([cH]1)[N+](=O)[O-]
[!#1]c1[cH][cH]c(Br)c(Cl)[cH]1
[!#1]c1[cH][cH]c(Br)c2[cH][cH][cH][cH]c12
[!#1]c1[cH][cH]c(Br)o1
[!#1]c1[cH][cH]c(C(=O)[OH])c([!#1])[cH]1
[!#1]c1[cH][cH]c(C(=O)[OH])c([cH]1)C(=O)[OH]
[!#1]c1[cH][cH]c(Cl)[cH][cH]1
[!#1]c1[cH][cH]c(Cl)[cH]c1[!#1]
[!#1]c1[cH][cH]c(Cl)[cH]c1[CH3]
[!#1]c1[cH][cH]c(Cl)[cH]c1[N+](=O)[O-]
[!#1]c1[cH][cH]c(Cl)[cH]c1Br
[!#1]c1[cH][cH]c(Cl)[cH]c1Cl
[!#1]c1[cH][cH]c(Cl)[cH]n1
[!#1]c1[cH][cH]c(Cl)c([!#1])[cH]1
[!#1]c1[cH][cH]c(Cl)c([cH]1)[N+](=O)[O-]
[!#1]c1[cH][cH]c(Cl)c([CH3])[cH]1
[!#1]c1[cH][cH]c(Cl)c(Cl)[cH]1
[!#1]c1[cH][cH]c(Cl)c2[cH][cH][cH][cH]c12
[!#1]c1[cH][cH]c(F)[cH][cH]1
[!#1]c1[cH][cH]c(F)[cH]c1F
[!#1]c1[cH][cH]c(F)c(Cl)[cH]1
[!#1]c1[cH][cH]c(F)c(F)[cH]1
[!#1]c1[cH][cH]c(I)[cH][cH]1
[!#1]c1[cH][cH]c(N=[CH]c2[cH][cH][cH][cH]c2[OH])[cH][cH]1
[!#1]c1[cH][cH]c(N=[CH]c2[cH][cH]c([cH][cH]2)[N+](=O)[O-])[cH][cH]1
[!#1]c1[cH][cH]c(N=[CH]c2[cH]c([cH][cH]c2[OH])[N+](=O)[O-])[cH][cH]1
[!#1]c1[cH][cH]c(N=[CH]c2c([OH])[cH][cH]c3[cH][cH][cH][cH]c23)[cH][cH]1
[!#1]c1[cH][cH]c(N=[N+]=[N-])[cH][cH]1
[!#1]c1[cH][cH]c(N=Nc2[cH][cH][cH][cH][cH]2)[cH][cH]1
[!#1]c1[cH][cH]c(N=Nc2[cH][cH][cH][cH]c2[CH3])[cH]c1[CH3]
[!#1]c1[cH][cH]c(N2[CH2][CH2][CH2]C2=O)c([!#1])[cH]1
[!#1]c1[cH][cH]c(O[CH3])[cH][cH]1
[!#1]c1[cH][cH]c(O[CH3])[cH]c1[N+](=O)[O-]
[!#1]c1[cH][cH]c(O[CH3])[cH]c1Br
[!#1]c1[cH][cH]c(O[CH3])[cH]c1O[CH3]
[!#1]c1[cH][cH]c(O[CH3])c(Cl)[cH]1
[!#1]c1[cH][cH]c(O[CH3])c(O[CH3])[cH]1
[!#1]c1[cH][cH]c(O[CH3])nn1
[!#1]c1[cH][cH]c(o1)[CH]2[CH2][CH]2[CH]3[CH2][CH2]3
[!#1]c1[cH][cH]c(o1)c2[cH][cH][cH]c([!#1])[cH]2
[!#1]c1[cH][cH]c(o1)c2[cH][cH]c([!#1])[cH][cH]2
[!#1]c1[cH][cH]c(S[CH2][CH2]c2[cH][cH]n[cH][cH]2)[cH][cH]1
[!#1]c1[cH][cH]c(S[CH3])[cH][cH]1
[!#1]c1[cH][cH]c(s1)C(=O)[OH]
[!#1]c1[cH][cH]c2[cH][cH][cH][cH]c2[cH]1
[!#1]c1[cH][cH]c2[cH][cH][cH][cH]c2[n+]1[!#1]
[!#1]c1[cH][cH]c2[cH][cH][cH][cH]c2c1[!#1]
[!#1]c1[cH][cH]c2[cH][cH][cH][cH]c2c1Br
[!#1]c1[cH][cH]c2[cH][cH][cH][cH]c2n1
[!#1]c1[cH][cH]c2[cH][cH][cH]c([!#1])c2n1
[!#1]c1[cH][cH]c2[cH][cH][cH]c([OH])c2n1
[!#1]c1[cH][cH]c2[cH][cH]c([!#1])[cH]c2[cH]1
[!#1]c1[cH][cH]c2[CH]3c4[cH][cH][cH][cH]c4[CH](c5[cH][cH][cH][cH]c35)c2[cH]1
[!#1]c1[cH][cH]c2[CH]3c4[cH][cH][cH][cH]c4[CH](c5[cH][cH]c([!#1])[cH]c35)c2[cH]1
[!#1]c1[cH][cH]c2[cH]c([!#1])[cH][cH]c2[cH]1
[!#1]c1[cH][cH]c2[cH]c([!#1])c(=O)oc2[cH]1
[!#1]c1[cH][cH]c2[cH]c([OH])[cH][cH]c2[cH]1
[!#1]c1[cH][cH]c2[CH2][CH2]c3[cH][cH][cH][cH]c3[NH]c2[cH]1
[!#1]c1[cH][cH]c2[CH2][CH2]c3[cH][cH][cH]c1c32
[!#1]c1[cH][cH]c2[CH2]OC(=O)c2[cH]1
[!#1]c1[cH][cH]c2[n+]([!#1])[cH][cH][cH]c2[cH]1
[!#1]c1[cH][cH]c2[n+]([!#1])c([!#1])[cH][cH]c2[cH]1
[!#1]c1[cH][cH]c2[nH]c(=O)[nH]c2[cH]1
[!#1]c1[cH][cH]c2[NH]C(=O)C(=O)c2[cH]1
[!#1]c1[cH][cH]c2[nH]c(=O)oc2[cH]1
[!#1]c1[cH][cH]c2[nH]c3C(=O)[CH2][CH2][CH2]c3c2[cH]1
[!#1]c1[cH][cH]c2[nH]c3C(=O)[NH][CH2][CH2]c3c2[cH]1
[!#1]c1[cH][cH]c2c([!#1])[cH]c(=O)oc2[cH]1
[!#1]c1[cH][cH]c2c([!#1])[n+]([!#1])[cH][cH]n12
[!#1]c1[cH][cH]c2c([!#1])c([!#1])[cH][cH]c2[cH]1
[!#1]c1[cH][cH]c2c([!#1])nc([!#1])nc2[cH]1
[!#1]c1[cH][cH]c2c([cH]1)-c3[cH]c([!#1])[cH][cH]c3S2(=O)=O
[!#1]c1[cH][cH]c2c([cH]1)nc3c4[cH][cH]c([!#1])c5[cH][cH][cH]c(c(=O)n23)c54
[!#1]c1[cH][cH]c2c([cH]1)oc3[cH][cH][cH][cH]c32
[!#1]c1[cH][cH]c-2c([CH2]c3[cH][cH][cH][cH]c32)[cH]1
[!#1]c1[cH][cH]c-2c([CH2]c3[cH]c([!#1])[cH][cH]c32)[cH]1
[!#1]c1[cH][cH]c2c([CH3])[cH]c(=O)oc2[cH]1
[!#1]c1[cH][cH]c2c(=O)c([!#1])[cH]oc2[cH]1
[!#1]c1[cH][cH]c2c(=O)c([!#1])c([!#1])oc2[cH]1
[!#1]c1[cH][cH]c2c(=O)c([!#1])c([CH3])oc2[cH]1
[!#1]c1[cH][cH]c2c(=O)c([cH]oc2[cH]1)c3[cH][cH]c4O[CH2][CH2]Oc4[cH]3
[!#1]c1[cH][cH]c2C(=O)c3[cH][cH][cH][cH]c3C(=O)c2[cH]1
[!#1]c1[cH][cH]c2C(=O)c3[cH][cH][cH][cH]c3-c2[cH]1
[!#1]c1[cH][cH]c2C(=O)N(C(=O)c2[cH]1)c3[cH][cH][cH][cH]c3[!#1]
[!#1]c1[cH][cH]c2C(=O)N(C(=O)c2[cH]1)c3[cH][cH][cH]c([!#1])[cH]3
[!#1]c1[cH][cH]c2C(=O)N(C(=O)c2[cH]1)c3[cH][cH][cH]c(n3)N4C(=O)c5[cH][cH]c([!#1])[cH]c5C4=O
[!#1]c1[cH][cH]c2C(=O)N(C(=O)c2[cH]1)c3[cH][cH][cH]c4[cH][cH][cH][cH]c34
[!#1]c1[cH][cH]c2C(=O)OC(=O)c2[cH]1
[!#1]c1[cH][cH]c2-c3[cH][cH]c([!#1])[cH]c3S(=O)(=O)c2[cH]1
[!#1]c1[cH][cH]c2n([!#1])c([CH3])c([CH3])c2[cH]1
[!#1]c1[cH][cH]c2n([!#1])c(=O)oc2[cH]1
[!#1]c1[cH][cH]c2n([!#1])c3[cH][cH][cH][cH]c3c2[cH]1
[!#1]c1[cH][cH]c2n([!#1])c3[cH][cH]c([!#1])[cH]c3c2[cH]1
[!#1]c1[cH][cH]c2N([CH2][CH3])C(=O)c3[cH][cH][cH]c1c23
[!#1]c1[cH][cH]c2n[cH][cH][cH]c2[cH]1
[!#1]c1[cH][cH]c2n[cH][nH]c2[cH]1
[!#1]c1[cH][cH]c2n[cH]nc3-c4[cH][cH][cH][cH]c4C(=O)c1c32
[!#1]c1[cH][cH]c2N=C(c3[cH][cH][cH][cH][cH]3)c4[cH]c([!#1])[cH][cH]c4N=C(c5[cH][cH][cH][cH][cH]5)c2[cH]1
[!#1]c1[cH][cH]c2n3[CH2][CH2][CH2]c3nc2[cH]1
[!#1]c1[cH][cH]c2n3[CH2][CH2][NH][CH]4[CH2][CH2][CH2]c(c43)c2[cH]1
[!#1]c1[cH][cH]c2nc([CH3])[nH]c2[cH]1
[!#1]c1[cH][cH]c2nc(nc(c3[cH][cH][cH][cH][cH]3)c2[cH]1)c4[cH][cH]c([cH][cH]4)c5nc(c6[cH][cH][cH][cH][cH]6)c7[cH]c([!#1])[cH][
[!#1]c1[cH][cH]c2nc(oc(=O)c2[cH]1)c3[cH][cH][cH][cH][cH]3
[!#1]c1[cH][cH]c2nc3[cH][cH][cH][cH]c3[n+]([!#1])c2[cH]1
[!#1]c1[cH][cH]c2nc3[CH2][CH2][CH2][CH2]c3n2[cH]1
[!#1]c1[cH][cH]c2nc3c([cH]c2[cH]1)n([!#1])c4[cH][cH][cH][cH]c43
[!#1]c1[cH][cH]c2nc3c(=O)[nH]c(=O)nc3[nH]c2[cH]1
[!#1]c1[cH][cH]c2nc3c(=O)n([!#1])c(=O)[nH]c3nc2[cH]1
[!#1]c1[cH][cH]c2nn(nc2[cH]1)c3[cH][cH][cH][cH][cH]3
[!#1]c1[cH][cH]c2nn[nH]c2[cH]1
[!#1]c1[cH][cH]c2nonc2c1[!#1]
[!#1]c1[cH][cH]c2nsnc2c1[N+](=O)[O-]
[!#1]c1[cH][cH]c2o[cH]nc2[cH]1
[!#1]c1[cH][cH]c2O[CH2][CH2]O[CH2][CH2]O[CH2][CH2]O[CH2][CH2]O[CH2][CH2]Oc2[cH]1
[!#1]c1[cH][cH]c2O[CH2][CH2]Oc2[cH]1
[!#1]c1[cH][cH]c2O[CH2]Oc2[cH]1
[!#1]c1[cH][cH]c2oc(nc2[cH]1)c3[cH][cH][cH][cH][cH]3
[!#1]c1[cH][cH]c2oc(nc2[cH]1)c3[cH][cH][cH][cH]c3[!#1]
[!#1]c1[cH][cH]c2oc(nc2[cH]1)c3[cH][cH][cH]n[cH]3
[!#1]c1[cH][cH]c2oc(nc2[cH]1)c3[cH][cH]c([!#1])c([!#1])[cH]3
[!#1]c1[cH][cH]c2oc(nc2[cH]1)c3[cH][cH]c([CH2][CH3])[cH][cH]3
[!#1]c1[cH][cH]c2oc(nc2[cH]1)c3[cH][cH]c(c4nc5[cH]c([!#1])[cH][cH]c5o4)c6[cH][cH][cH][cH]c36
[!#1]c1[cH][cH]c2oc3[cH][cH]c([!#1])[cH]c3c2[cH]1
[!#1]c1[cH][cH]c2S(=O)c3[cH][cH][cH][cH]c3[NH]c2[cH]1
[!#1]c1[cH][cH]c2sc([CH3])nc2[cH]1
[!#1]c1[cH][cH]n([!#1])n1
[!#1]c1[cH][cH]n(n1)c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH][cH]n[cH][cH]1
[!#1]c1[cH][cH]n[nH]1
[!#1]c1[cH][cH]nc([!#1])[cH]1
[!#1]c1[cH][cH]nc([!#1])n1
[!#1]c1[cH][cH]nc2[cH][cH][cH][cH]c12
[!#1]c1[cH][cH]nc2[cH]c3[cH][cH][cH][cH]c3[cH]c12
[!#1]c1[cH][cH]nn1[!#1]
[!#1]c1[cH][cH]nn1[CH3]
[!#1]c1[cH][cH]o[cH]1
[!#1]c1[cH][cH]s[cH]1
[!#1]c1[cH][cH]sc1[!#1]
[!#1]c1[cH][cH]sc1c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH][nH]c(=O)[nH]c1=O
[!#1]c1[cH][nH]c2[cH][cH][cH][cH]c12
[!#1]c1[cH][nH]c2[cH][cH][cH]nc12
[!#1]c1[cH][nH]c2[cH][cH]c([!#1])[cH]c12
[!#1]c1[cH][nH]c2[cH][cH]c(O[CH3])[cH]c12
[!#1]c1[cH][nH]c2c([!#1])[cH][cH][cH]c12
[!#1]c1[cH][nH]nc1c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH]c([!#1])[cH]c([!#1])[cH]1
[!#1]c1[cH]c([!#1])[cH]c([cH]1)N2C(=O)c3[cH][cH][cH][cH]c3C2=O
[!#1]c1[cH]c([!#1])[cH]c([CH3])[cH]1
[!#1]c1[cH]c([!#1])[nH]c(=O)n1
[!#1]c1[cH]c([!#1])[nH]n1
[!#1]c1[cH]c([!#1])c([!#1])[cH]c1[!#1]
[!#1]c1[cH]c([!#1])c([!#1])c([!#1])[cH]1
[!#1]c1[cH]c([!#1])c([!#1])c([!#1])c1[!#1]
[!#1]c1[cH]c([!#1])c([!#1])c([!#1])n1
[!#1]c1[cH]c([!#1])c([!#1])c(=O)[nH]1
[!#1]c1[cH]c([!#1])c([!#1])c(=O)o1
[!#1]c1[cH]c([!#1])c([!#1])s1
[!#1]c1[cH]c([!#1])c([OH])c(n1)C([CH3])([CH3])[CH3]
[!#1]c1[cH]c([!#1])c2[cH][cH][cH][cH]c2c1[!#1]
[!#1]c1[cH]c([!#1])c2[cH][cH][cH][cH]c2n1
[!#1]c1[cH]c([!#1])c2[cH][cH][cH]nc2c1[!#1]
[!#1]c1[cH]c([!#1])c2n([!#1])n[cH][n+]2n1
[!#1]c1[cH]c([!#1])n([!#1])c(=O)c1[!#1]
[!#1]c1[cH]c([!#1])n([!#1])c(=O)n1
[!#1]c1[cH]c([!#1])n([!#1])n1
[!#1]c1[cH]c([!#1])n(n1)c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH]c([!#1])nc([!#1])n1
[!#1]c1[cH]c([!#1])on1
[!#1]c1[cH]c([cH][cH]c1[CH3])[CH]([CH3])[CH3]
[!#1]c1[cH]c([cH][cH]c1[CH3])[N+](=O)[O-]
[!#1]c1[cH]c([cH][cH]c1[OH])[N+](=O)[O-]
[!#1]c1[cH]c([cH][cH]c1[OH])S(=O)(=O)c2[cH][cH]c([OH])c([!#1])[cH]2
[!#1]c1[cH]c([cH][cH]c1C(=O)[OH])[N+](=O)[O-]
[!#1]c1[cH]c([cH][cH]c1C(=O)[OH])C(=O)[OH]
[!#1]c1[cH]c([cH][cH]c1Cl)[N+](=O)[O-]
[!#1]c1[cH]c([cH][cH]c1Cl)C(F)(F)F
[!#1]c1[cH]c([cH][cH]c1O[CH3])[N+](=O)[O-]
[!#1]c1[cH]c([cH]c([cH]1)[N+](=O)[O-])[N+](=O)[O-]
[!#1]c1[cH]c([cH]c([cH]1)C([CH3])([CH3])[CH3])C([CH3])([CH3])[CH3]
[!#1]c1[cH]c([cH]c([cH]1)C(=O)[OH])C(=O)[OH]
[!#1]c1[cH]c([cH]c(c1[OH])C([CH3])([CH3])[CH3])C([CH3])([CH3])[CH3]
[!#1]c1[cH]c([CH3])[cH][cH]c1[CH]([CH3])[CH3]
[!#1]c1[cH]c([CH3])[cH][cH]c1[CH3]
[!#1]c1[cH]c([CH3])[cH][cH]n1
[!#1]c1[cH]c([CH3])[cH]c([CH3])[cH]1
[!#1]c1[cH]c([CH3])c(Br)[cH]c1[CH]([CH3])[CH3]
[!#1]c1[cH]c([CH3])c(Cl)c([CH3])[cH]1
[!#1]c1[cH]c([CH3])n[nH]1
[!#1]c1[cH]c([CH3])nc([!#1])c1[OH]
[!#1]c1[cH]c([CH3])nc2[cH][cH][cH][cH]c12
[!#1]c1[cH]c([N+](=O)[O-])c([CH3])c([cH]1)[N+](=O)[O-]
[!#1]c1[cH]c([N+](=O)[O-])c(Cl)[cH]c1Cl
[!#1]c1[cH]c([nH]n1)c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH]c([OH])[cH][cH]c1[OH]
[!#1]c1[cH]c([OH])[cH]c([OH])[cH]1
[!#1]c1[cH]c(=O)[nH]c([!#1])n1
[!#1]c1[cH]c(=O)oc2[cH][cH][cH][cH]c12
[!#1]c1[cH]c(=O)oc2[cH][cH]c([cH]c12)[N+](=O)[O-]
[!#1]c1[cH]c(Br)[cH]c(Br)c1[!#1]
[!#1]c1[cH]c(Br)[cH]c(Br)c1[OH]
[!#1]c1[cH]c(Br)[cH]c(C(=O)[OH])c1[!#1]
[!#1]c1[cH]c(Br)c([OH])c(Br)[cH]1
[!#1]c1[cH]c(c([OH])c([cH]1)C([CH3])([CH3])[CH3])C([CH3])([CH3])[CH3]
[!#1]c1[cH]c(C(=O)[OH])c([!#1])[cH]c1C(=O)[OH]
[!#1]c1[cH]c(Cl)[cH][cH]c1[OH]
[!#1]c1[cH]c(Cl)[cH][cH]c1Cl
[!#1]c1[cH]c(Cl)[cH]c(Cl)[cH]1
[!#1]c1[cH]c(Cl)[cH]c(Cl)c1O[CH3]
[!#1]c1[cH]c(Cl)c([!#1])c(Cl)[cH]1
[!#1]c1[cH]c(Cl)c(Cl)[cH]c1Cl
[!#1]c1[cH]c(n[nH]1)c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH]c(n[nH]1)c2[cH][cH]c([!#1])[cH][cH]2
[!#1]c1[cH]c(nc2[cH][cH][cH][cH]c12)c3[cH][cH][cH][cH][cH]3
[!#1]c1[cH]c(nc2[cH][cH][cH][cH]c12)N([CH3])[CH3]
[!#1]c1[cH]c(nn1c2[cH][cH][cH][cH][cH]2)c3[cH][cH][cH][cH][cH]3
[!#1]c1[cH]c(nn1c2[cH][cH][cH][cH][cH]2)c3[cH][cH]c([!#1])[cH][cH]3
[!#1]c1[cH]c(O[CH3])[cH][cH]c1O[CH3]
[!#1]c1[cH]c(O[CH3])[cH]c(O[CH3])[cH]1
[!#1]c1[cH]c(O[CH3])c(O[CH3])[cH]c1[!#1]
[!#1]c1[cH]c(O[CH3])c(O[CH3])c(O[CH3])[cH]1
[!#1]c1[cH]c(O[CH3])nc(O[CH3])n1
[!#1]c1[cH]c2[cH][cH][cH][cH]c2[cH]c1[!#1]
[!#1]c1[cH]c2[cH][cH][cH][cH]c2[cH]c1[OH]
[!#1]c1[cH]c2[cH][cH][cH][cH]c2[cH]c1O[CH3]
[!#1]c1[cH]c2[cH][cH][cH][cH]c2[nH]1
[!#1]c1[cH]c2[cH][cH][cH][cH]c2nc1[!#1]
[!#1]c1[cH]c2[cH][cH][cH][cH]c2o1
[!#1]c1[cH]c2[cH][cH][cH][cH]c2oc1=O
[!#1]c1[cH]c2C(=N[OH])[CH2][CH2][CH2][CH2]c2s1
[!#1]c1[cH]c2nc3[cH][cH][cH][cH]c3nc2[cH]c1[!#1]
[!#1]c1[cH]c2O[CH2][CH2]Oc2[cH]c1[!#1]
[!#1]c1[cH]c2O[CH2]Oc2[cH]c1[!#1]
[!#1]c1[cH]n([!#1])c2[cH][cH][cH][cH]c12
[!#1]c1[cH]n([!#1])c2[cH][cH]c([!#1])[cH]c12
[!#1]c1[cH]n([!#1])nc1[!#1]
[!#1]c1[cH]n(C(=O)[CH3])c2[cH][cH][cH][cH]c12
[!#1]c1[cH]n(nc1c2[cH][cH][cH][cH][cH]2)c3[cH][cH][cH][cH][cH]3
[!#1]c1[cH]n[cH]c([!#1])[cH]1
[!#1]c1[cH]n[cH]c(Br)[cH]1
[!#1]c1[cH]n[nH]c1[!#1]
[!#1]c1[cH]n2[cH][cH][cH][cH]c2n1
[!#1]c1[cH]n2[CH2][CH2][CH2]c2n1
[!#1]c1[cH]n2c(n1)n([!#1])c3[cH][cH][cH][cH]c32
[!#1]c1[cH]nc([!#1])c([!#1])[cH]1
[!#1]c1[cH]nc([!#1])n[cH]1
[!#1]c1[cH]nc([!#1])n1[!#1]
[!#1]c1[cH]nc([!#1])o1
[!#1]c1[cH]nc2[cH][cH][cH][cH]c2[cH]1
[!#1]c1[cH]nc2[cH][cH][cH][cH]c2n1
[!#1]c1[cH]nn([!#1])c1[!#1]
[!#1]c1[cH]nn([cH]1)c2[cH][cH][cH][cH][cH]2
[!#1]c1[cH]oc2[cH][cH]c([!#1])c([!#1])c12
[!#1]c1[cH]oc2c1[cH]c([!#1])c3[cH][cH][cH][cH]c23
[!#1]c1[cH]sc([!#1])n1
[!#1]c1[cH]sc([NH2])n1
[!#1]c1[n+]([!#1])[cH][cH]c2[cH][cH][cH][cH]c12
[!#1]c1[nH]c([!#1])c([!#1])c1[!#1]
[!#1]c1[nH]c2[cH][cH][cH][cH]c2c1[!#1]
[!#1]c1[nH]c2[cH][cH]c([!#1])[cH]c2c1[!#1]
[!#1]c1[nH]n[cH]c1I
[!#1]c1[nH]nc([CH3])c1[N+](=O)[O-]
[!#1]c1[nH]nc([CH3])c1Br
[!#1]C1=[CH][CH2][CH2][CH2][CH2]1
[!#1]C1=[CH][NH][CH]2[CH]=[CH][CH]=[CH][CH]21
[!#1]C1=[CH]C(=O)[CH]=[CH]C1=O
[!#1]C1=[CH]C(=O)[CH2]C([!#1])([CH3])[CH2]1
[!#1]C1=[CH]C(=O)[CH2]C([CH3])([CH3])[CH2]1
[!#1]C1=[CH]C(=O)c2[cH][cH][cH][cH]c2C1=O
[!#1]C1=[CH]C(=O)OC21[CH2][CH2][CH2][CH2][CH2]2
[!#1]C1=[CH]O[CH2][CH2]O1
[!#1]C1=C([!#1])[CH]([NH]C(=O)[NH]1)c2[cH][cH][cH][cH][cH]2
[!#1]C1=C([!#1])[CH]([NH]C(=O)[NH]1)c2[cH][cH][cH]c([!#1])[cH]2
[!#1]C1=C([!#1])[CH](C2=C([CH2]C([!#1])([CH3])[CH2]C2=O)[NH]1)c3[cH][cH][cH]c([!#1])[cH]3
[!#1]C1=C([!#1])C(=O)[CH2]C([!#1])([CH3])[CH2]1
[!#1]C1=C([!#1])C(=O)c2[cH][cH][cH][cH]c2C1=O
[!#1]C1=C([OH])[CH2]C([CH3])([CH3])[CH2]C1=O
[!#1]C1=C([OH])C(=O)c2[cH][cH][cH][cH]c2C1=O
[!#1]C1=C(C(=O)c2[cH][cH][cH][cH]c12)c3[cH][cH][cH][cH][cH]3
[!#1]C1=C2[NH]c3[cH][cH][cH][cH]c3N2[CH2][CH2]C1=O
[!#1]C1=N[CH2][CH2][NH]1
[!#1]C1=N[CH2][CH2]c2[cH][cH][cH][cH]c12
[!#1]C1=N[CH2][CH2]n2[cH][cH][cH]c12
[!#1]C1=N[NH]C([CH2]1)(c2[cH][cH][cH][cH][cH]2)c3[cH][cH][cH][cH][cH]3
[!#1]C1=Nc2[cH][cH][cH][cH]c2[CH2][CH2][CH2]1
[!#1]C12[CH2][CH2][CH2][CH]2[CH]3[CH2][CH2][CH]1[CH2]3
[!#1]c1c([!#1])c([!#1])c([!#1])c([!#1])c1[!#1]
[!#1]c1c([!#1])c(=O)n(c2[cH][cH][cH][cH][cH]2)n1[!#1]
[!#1]c1c([!#1])c2[cH][cH][cH][cH]c2n1[!#1]
[!#1]c1c([!#1])c2[cH][cH][cH][cH]c2oc1=O
[!#1]c1c([!#1])c2[cH][cH][cH][cH]c2sc1=O
[!#1]c1c([!#1])c2[cH]c([!#1])[cH][cH]c2n1[!#1]
[!#1]c1c([!#1])c2[cH]c([!#1])[cH][cH]c2n1c3[cH][cH][cH][cH][cH]3
[!#1]c1c([!#1])c2[cH]c([!#1])c([!#1])[cH]c2n1[!#1]
[!#1]c1c([cH][cH][cH]c1[N+](=O)[O-])C(=O)[OH]
[!#1]c1c([cH][cH]c2nonc12)[N+](=O)[O-]
[!#1]c1c([cH]c([cH]c1[CH]([CH3])[CH3])[CH]([CH3])[CH3])[CH]([CH3])[CH3]
[!#1]c1c([cH]c([cH]c1[N+](=O)[O-])C(=O)[OH])[N+](=O)[O-]
[!#1]c1c([cH]c([cH]c1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
[!#1]c1c([cH]c([CH3])[cH]c1[N+](=O)[O-])[N+](=O)[O-]
[!#1]c1c([cH]c([N+](=O)[O-])c2[cH][cH][cH]nc12)[N+](=O)[O-]
[!#1]c1c([cH]nn1[CH3])[N+](=O)[O-]
[!#1]c1c([CH3])[cH][cH][cH]c1[CH3]
[!#1]c1c([CH3])[cH][cH]c([CH3])c1[CH3]
[!#1]c1c([CH3])[cH]c([CH3])[cH]c1[CH3]
[!#1]c1c([CH3])[cH]c([CH3])c([CH]=N[OH])c1[CH3]
[!#1]c1c([CH3])[cH]c(Br)[cH]c1[CH3]
[!#1]c1c([CH3])[nH]c2[cH][cH][cH][cH]c12
[!#1]c1c([CH3])c([CH2][CH3])nc2[cH][cH][cH][cH]c12
[!#1]c1c([CH3])n([!#1])n([!#1])c1=O
[!#1]c1c([CH3])n([CH3])n(c2[cH][cH][cH][cH][cH]2)c1=O
[!#1]c1c([CH3])nn([!#1])c1[CH3]
[!#1]c1c([N+](=O)[O-])c([!#1])c([N+](=O)[O-])c([!#1])c1[N+](=O)[O-]
[!#1]c1c([nH]c2[cH][cH]c([!#1])[cH]c12)C(=O)[OH]
[!#1]c1c([OH])[cH][cH]c2[cH][cH][cH][cH]c12
[!#1]c1c([OH])[cH]c([OH])[cH]c1[OH]
[!#1]c1c([OH])c2[cH][cH][cH][cH]c2oc1=O
[!#1]c1c([OH])c2[cH][cH][cH][cH]c2sc1=O
[!#1]c1c(Br)[cH]c(Br)[cH]c1Br
[!#1]c1c(Br)[cH]c(Br)c2[cH][cH][cH]nc12
[!#1]c1c(c2[cH][cH][cH][cH][cH]2)c3[cH]c([!#1])[cH][cH]c3n1[!#1]
[!#1]c1c(Cl)[cH][cH][cH]c1Cl
[!#1]c1c(Cl)[cH]c(Cl)[cH]c1Cl
[!#1]c1c(F)[cH][cH][cH]c1F
[!#1]c1c(F)c(F)c([!#1])c(F)c1F
[!#1]c1c(F)c(F)c(F)c(F)c1F
[!#1]c1c(n[cH]n1[CH3])[N+](=O)[O-]
[!#1]c1c(nc([CH3])n1[!#1])[N+](=O)[O-]
[!#1]c1c2[CH]([OH])[CH2]C([CH3])([CH3])[CH2]c2nc3[cH][cH][cH][cH]c13
[!#1]c1c2[cH][cH][cH][cH]c2[cH]c3[cH][cH][cH][cH]c13
[!#1]c1c2[cH][cH][cH][cH]c2c([!#1])c3[cH][cH][cH][cH]c13
[!#1]c1c2[cH][cH][cH][cH]c2n3c([CH3])nc4[cH][cH][cH][cH]c4c13
[!#1]c1c2[cH][cH][cH][cH]c2nc3[cH][cH][cH][cH]c13
[!#1]c1c2[CH2][CH2][CH2][CH2]c2nc3[cH][cH][cH][cH]c13
[!#1]c1c2[CH2][CH2][CH2]c2nc3[cH][cH][cH][cH]c13
[!#1]c1c2[CH2][CH2][CH2]c2nc3[CH2][CH2][CH2][CH2]c13
[!#1]c1c2[CH2][CH2][CH2]c2nc3[CH2][CH2][CH2]c31
[!#1]c1c2[CH2][CH2]N([CH3])c2nc3[cH][cH][cH][cH]c13
[!#1]c1c2C(=O)[CH2]C([!#1])([CH3])[CH2]c2nc3[cH][cH][cH][cH]c13
[!#1]c1c2C(=O)[CH2]C([CH3])([CH3])[CH2]c2nc3[cH][cH][cH][cH]c13
[!#1]c1n([!#1])c2[cH][cH][cH][cH]c2[n+]1[!#1]
[!#1]c1n([!#1])c2[cH][cH]c([!#1])[cH]c2[n+]1[!#1]
[!#1]c1n([CH3])c2[cH][cH][cH][cH]c2[n+]1[CH3]
[!#1]c1n[cH][cH][cH]c1[CH3]
[!#1]c1n[cH][cH][cH]c1[OH]
[!#1]c1n[cH][cH][cH]n1
[!#1]c1n[cH][cH]c(n1)c2[cH][cH][cH][cH][cH]2
[!#1]c1n[cH][cH]n1[!#1]
[!#1]c1n[cH][cH]nc1[!#1]
[!#1]c1n[cH][cH]nc1C(=O)[OH]
[!#1]c1n[cH][cH]nc1O[CH3]
[!#1]c1n[cH][cH]s1
[!#1]c1n[cH][nH]c1[!#1]
[!#1]c1n[cH][nH]n1
[!#1]c1n[cH]c(s1)c2[cH][cH][cH][cH][cH]2
[!#1]c1n[cH]n([!#1])c1[!#1]
[!#1]c1n[cH]n[nH]1
[!#1]c1n[cH]nc([!#1])c1[!#1]
[!#1]c1n[cH]nc2[nH][cH]nc12
[!#1]c1n[cH]nc2n[cH][nH]c12
[!#1]c1n[cH]nc2sc([CH3])c([CH3])c12
[!#1]c1n[cH]nc2sc3[CH2][CH2][CH2][CH2]c3c12
[!#1]c1n[nH]c([!#1])c1[!#1]
[!#1]c1n[nH]c([!#1])n1
[!#1]c1n[nH]c([NH2])n1
[!#1]c1n[nH]c(=O)[nH]c1=O
[!#1]c1n[nH]c(=O)c2[cH][cH][cH][cH]c12
[!#1]c1n[nH]c(=S)[nH]c1=O
[!#1]c1n[nH]c2[CH2][CH2][CH2][CH2]c12
[!#1]c1nc([!#1])c([!#1])[nH]1
[!#1]c1nc([!#1])c([!#1])c([!#1])n1
[!#1]c1nc([!#1])c([!#1])s1
[!#1]c1nc([!#1])c2[cH][cH][cH][cH]c2n1
[!#1]c1nc([!#1])c2c3[CH2][CH2][CH2][CH2]c3sc2n1
[!#1]c1nc([!#1])n([!#1])n1
[!#1]c1nc([!#1])nc([!#1])n1
[!#1]c1nc([!#1])nc([NH][CH3])n1
[!#1]c1nc([!#1])nc([NH]N=[CH]c2[cH][cH][cH]c([N+](=O)[O-])c2[OH])n1
[!#1]c1nc([!#1])nc(Cl)n1
[!#1]c1nc([!#1])nc(n1)N2[CH2][CH2][CH2][CH2][CH2]2
[!#1]c1nc([!#1])nc(n1)N2[CH2][CH2][NH][CH2][CH2]2
[!#1]c1nc([!#1])nc(n1)N2[CH2][CH2]O[CH2][CH2]2
[!#1]c1nc([!#1])nc(O[CH](C(F)(F)F)C(F)(F)F)n1
[!#1]c1nc([!#1])nc(O[CH3])n1
[!#1]c1nc([cH]c(n1)c2[cH][cH][cH][cH][cH]2)c3[cH][cH][cH][cH][cH]3
[!#1]c1nc([cH]s1)C2([CH2][CH]3[CH2][CH]4[CH2][CH]([CH2]3)[CH2]2)[CH2]4
[!#1]c1nc([cH]s1)c2[cH][cH][cH][cH][cH]2
[!#1]c1nc([cH]s1)c2[cH][cH]c([!#1])[cH][cH]2
[!#1]c1nc([cH]s1)c2[cH][cH]c([!#1])c([!#1])[cH]2
[!#1]c1nc([CH3])[cH][cH]c1[OH]
[!#1]c1nc([CH3])[cH]c([CH3])n1
[!#1]c1nc([CH3])[cH]s1
[!#1]c1nc([CH3])nc(O[CH3])n1
[!#1]c1nc([CH3])nc2sc3[CH2][CH2][CH2][CH2]c3c12
[!#1]c1nc([NH2])nc(Cl)n1
[!#1]c1nc([OH])[cH]c(=O)[nH]1
[!#1]c1nc(=O)c([!#1])c([!#1])[nH]1
[!#1]c1nc(c([!#1])s1)c2[cH][cH][cH][cH][cH]2
[!#1]c1nc(c([!#1])s1)c2[cH][cH]c([!#1])[cH][cH]2
[!#1]c1nc(Cl)nc(Cl)n1
[!#1]c1nc(I)[cH][cH]c1[OH]
[!#1]c1nc(nc(n1)N2[CH2][CH2]O[CH2][CH2]2)N3[CH2][CH2][CH2][CH2][CH2]3
[!#1]c1nc(nc(n1)N2[CH2][CH2]O[CH2][CH2]2)N3[CH2][CH2]O[CH2][CH2]3
[!#1]c1nc(O[CH3])nc(O[CH3])n1
[!#1]c1nc2[cH][cH][cH][cH]c2[nH]1
[!#1]c1nc2[cH][cH][cH][cH]c2[nH]c1=O
[!#1]c1nc2[cH][cH][cH][cH]c2c([!#1])c1[!#1]
[!#1]c1nc2[cH][cH][cH][cH]c2c(=O)[nH]1
[!#1]c1nc2[cH][cH][cH][cH]c2c(=O)n1c3[cH][cH][cH][cH][cH]3
[!#1]c1nc2[cH][cH][cH][cH]c2c(=O)o1
[!#1]c1nc2[cH][cH][cH][cH]c2c3[cH][cH][cH][cH]c13
[!#1]c1nc2[cH][cH][cH][cH]c2n1[!#1]
[!#1]c1nc2[cH][cH][cH][cH]c2nc1[!#1]
[!#1]c1nc2[cH][cH][cH][cH]c2o1
[!#1]c1nc2[cH][cH][cH][cH]c2s1
[!#1]c1nc2[cH][cH][cH][cH]n2c1[!#1]
[!#1]c1nc2[cH][cH]c([!#1])[cH]c2[nH]1
[!#1]c1nc2[cH][cH]c([!#1])[cH]c2o1
[!#1]c1nc2[cH][cH]c([!#1])[cH]c2s1
[!#1]c1nc2[cH][cH]c([CH3])[cH]c2s1
[!#1]c1nc2[cH]c([!#1])[cH][cH]c2[nH]1
[!#1]c1nc2[cH]c([!#1])[cH][cH]c2o1
[!#1]c1nc2[cH]c([!#1])[cH][cH]c2s1
[!#1]c1nc2[cH]c(Cl)[cH][cH]c2o1
[!#1]c1nc2n([!#1])c(=O)[nH]c(=O)c2n1[!#1]
[!#1]c1nc2n([!#1])c(=O)n([!#1])c(=O)c2n1[!#1]
[!#1]c1nc2nc([!#1])[cH]c([!#1])n2n1
[!#1]c1nc2nc([cH]c(c3[cH][cH][cH][cH][cH]3)n2n1)c4[cH][cH][cH][cH][cH]4
[!#1]c1nc2nc([CH3])[cH]c([CH3])n2n1
[!#1]c1nc2nonc2nc1[!#1]
[!#1]c1nc2sc3[CH2][CH2][CH2][CH2]c3c2c(=O)n1[!#1]
[!#1]c1nc2sc3[CH2][CH2][CH2][CH2]c3c2s1
[!#1]c1nn([!#1])c([!#1])c1[!#1]
[!#1]c1nn([CH3])[cH]c1Br
[!#1]c1nn(c([!#1])c1[!#1])c2[cH][cH][cH][cH][cH]2
[!#1]c1nn(c([!#1])c1[!#1])c2[cH][cH]c([!#1])[cH][cH]2
[!#1]c1nn[cH][nH]1
[!#1]c1nn[cH]n1c2[cH][cH][cH][cH][cH]2
[!#1]c1nnc([!#1])n1[!#1]
[!#1]c1nnc([!#1])n1c2[cH][cH][cH][cH][cH]2
[!#1]c1nnc([!#1])o1
[!#1]c1nnc([!#1])s1
[!#1]c1nnc([CH2][CH3])s1
[!#1]c1nnc([CH3])s1
[!#1]c1nnc([NH2])s1
[!#1]c1nnc2c([!#1])nc3nonc3n12
[!#1]c1nnc2c3[cH][cH][cH][cH]c3[nH]c2n1
[!#1]c1nnn[nH]1
[!#1]c1nnnn1[!#1]
[!#1]c1nnnn1c2[cH][cH][cH][cH][cH]2
[!#1]c1nnnn1c2c([!#1])[cH][cH][cH]c2[!#1]
[!#1]c1nnnn1c2c([CH3])[cH][cH][cH]c2[CH3]
[!#1]c1no[n+]([!#1])c1[!#1]
[!#1]c1nonc1[!#1]
[!#1]c1oc2[cH][cH][cH][cH]c2[n+]1[!#1]
[!#1]c1oc2[cH][cH]c([!#1])[cH]c2c1[!#1]
[!#1]c1oc2[cH][cH]c([!#1])c([!#1])c2c1[!#1]
[!#1]c1oc2[cH]c([!#1])c([!#1])[cH]c2c1[!#1]
[!#1]c1oc2c([!#1])c([!#1])c([!#1])[cH]c2c1[!#1]
[!#1]c1s[cH][n+]([!#1])c1[!#1]
[!#1]c1s[cH][n+]([!#1])c1[CH3]
[!#1]c1s[cH]c(c1[!#1])c2[cH][cH][cH][cH][cH]2
[!#1]c1sc([!#1])c([!#1])c1[!#1]
[!#1]c1sc([!#1])c(c1[!#1])c2[cH][cH][cH][cH][cH]2
[!#1]c1sc([CH3])c([CH3])c1[!#1]
[!#1]c1sc2[cH][cH][cH][cH]c2[n+]1[!#1]
[!#1]c1sc2[cH][cH][cH][cH]c2c1[!#1]
[!#1]c1sc2[cH][cH][cH][cH]c2c1Cl
[!#1]c1sc2[cH][cH]c([!#1])[cH]c2[n+]1[!#1]
[!#1]c1sc2[cH][cH]c3[cH][cH][cH][cH]c3c2[n+]1[!#1]
[!#1]c1sc2[cH]c([!#1])[cH][cH]c2c1[!#1]
[!#1]c1sc2[cH]c(F)[cH][cH]c2c1Cl
[!#1]c1sc2[CH2][CH2][CH2][CH2]c2c1[!#1]
[!#1]c1sc2[CH2][CH2][CH2][CH2]c2c1C(=O)[NH2]
[!#1]c1sc2c([!#1])[cH][cH][cH]c2c1[!#1]
[!#1]c1sc2c([!#1])c([!#1])[cH][cH]c2c1[!#1]
[!#1]c1sc2C(=N[OH])[CH2][CH2][CH2]c2c1[!#1]
[!#1]c1sc2C(=O)[CH2][CH2][CH2]c2c1[!#1]
[!#1]c1sc2n[cH]nc([!#1])c2c1[!#1]
[!#1]Cl
[!#1]F
[!#1]I
[!#1]N([!#1])[!#1]
[!#1]N([!#1])[CH2]c1[cH][cH][cH][cH][cH]1
[!#1]N([!#1])[CH3]
[!#1]N([!#1])C(=O)[!#1]
[!#1]N([!#1])C(=O)O[CH2][CH3]
[!#1]N([!#1])c1[cH][cH][cH][cH][cH]1
[!#1]N([!#1])c1[cH][cH][cH]c2[cH][cH][cH][cH]c12
[!#1]N([CH]([CH]([CH3])[CH3])C(=O)[!#1])C(=O)c1[cH][cH][cH][cH]c1C(=O)[!#1]
[!#1]N([CH]([CH]([CH3])[CH3])C(=O)[OH])C(=S)SC([!#1])([!#1])C(=O)[!#1]
[!#1]N([CH]([CH2]c1[cH][cH][cH][cH][cH]1)C(=O)[!#1])C(=O)c2[cH][cH][cH][cH]c2C(=O)[!#1]
[!#1]N([CH]([CH2]c1[cH][cH]c([cH][cH]1)[N+](=O)[O-])C(=O)[!#1])C(=O)c2[cH][cH][cH][cH]c2C(=O)[!#1]
[!#1]N([CH]([CH3])[CH3])[CH]([CH3])[CH3]
[!#1]N([CH]1[CH2][CH2][CH2][CH2][CH2]1)[CH]2[CH2][CH2][CH2][CH2][CH2]2
[!#1]N([CH2][CH2][CH2][CH2][CH2]C(=O)[!#1])C(=O)c1[cH][cH][cH][cH]c1C(=O)[!#1]
[!#1]N([CH2][CH2][CH2][CH3])[CH2][CH2][CH2][CH3]
[!#1]N([CH2][CH2][CH2][CH3])C(=O)[!#1]
[!#1]N([CH2][CH2][CH2]C(=O)[!#1])[CH2]C(=O)[!#1]
[!#1]N([CH2][CH2][CH2]C(=O)[!#1])C(=O)c1[cH][cH][cH][cH]c1C(=O)[!#1]
[!#1]N([CH2][CH2][CH2]C(=O)[!#1])C(=S)SC([!#1])([!#1])C(=O)[!#1]
[!#1]N([CH2][CH2][CH2]C(=O)[!#1])c1[cH][cH]c([cH][cH]1)S(=O)(=O)[!#1]
[!#1]N([CH2][CH2][CH2]S(=O)(=O)[OH])c1[cH][cH][cH][cH]c1SC([!#1])([!#1])[!#1]
[!#1]N([CH2][CH2][OH])[CH2][CH2][OH]
[!#1]N([CH2][CH2]C(=O)[!#1])C(=O)c1[cH][cH][cH][cH]c1C(=O)[!#1]
[!#1]N([CH2][CH2]C(=O)[!#1])C(=S)SC([!#1])([!#1])C(=O)[!#1]
[!#1]N([CH2][CH2]C(=O)[OH])C(=S)SC([!#1])([!#1])C(=O)[!#1]
[!#1]N([CH2][CH3])[CH2][CH2][OH]
[!#1]N([CH2][CH3])[CH2][CH3]
[!#1]N([CH2][CH3])C(=O)[!#1]
[!#1]N([CH2][CH3])c1[cH][cH][cH][cH][cH]1
[!#1]N([CH2]C([CH3])([CH3])[CH2][CH]=C([CH3])[CH3])C(=O)[CH3]
[!#1]N([CH2]C(=O)[!#1])C(=O)c1[cH][cH][cH][cH]c1C(=O)[!#1]
[!#1]N([CH2]C(=O)[!#1])C(=O)c1[cH][cH][cH]c2[cH][cH][cH]c(C(=O)[!#1])c12
[!#1]N([CH2]C(=O)[!#1])C(=O)SC([!#1])([!#1])C(=O)[!#1]
[!#1]N([CH2]C(=O)[!#1])C(=S)SC([!#1])([!#1])C(=O)[!#1]
[!#1]N([CH2]C(=O)[OH])[CH2]C(=O)[OH]
[!#1]N([CH2]C(=O)[OH])C(=S)SC([!#1])([!#1])C(=O)[!#1]
[!#1]N([CH2]c1[cH][cH][cH][cH][cH]1)[CH2]c2[cH][cH][cH][cH][cH]2
[!#1]N([CH2]c1[cH][cH][cH][cH][cH]1)C([CH3])([CH3])[CH3]
[!#1]N([CH2]c1[cH][cH][cH][cH][cH]1)C(=S)SC([!#1])([!#1])C(=O)[!#1]
[!#1]N([CH2]c1[cH][cH]c(Cl)[cH]c1Cl)c2[cH][cH][cH]c(Cl)[cH]2
[!#1]N([CH2]c1[cH][cH]c(F)[cH][cH]1)c2[cH][cH]c(I)[cH][cH]2
[!#1]N([CH3])[CH2][CH2][OH]
[!#1]N([CH3])[CH2]C(=O)[OH]
[!#1]N([CH3])[CH2]c1[cH][cH][cH][cH][cH]1
[!#1]N([CH3])[CH3]
[!#1]N([CH3])C(=[NH])[NH]C(=[NH])[NH2]
[!#1]N([CH3])C(=O)[!#1]
[!#1]N([CH3])C(=O)[CH3]
[!#1]N([CH3])c1[cH][cH][cH][cH][cH]1
[!#1]N([CH3])c1[cH][cH][cH][cH]c1C([!#1])([!#1])C(=O)[!#1]
[!#1]N([CH3])c1[cH][cH]c([!#1])[cH][cH]1
[!#1]N([CH3])c1[cH]c([!#1])c2[cH][cH][cH][cH]c2n1
[!#1]N([CH3])S(=O)(=O)[!#1]
[!#1]N(C(=O)[!#1])S(=O)(=O)[!#1]
[!#1]N(C(=O)[CH]([CH2]C(=O)[!#1])S[CH2]C(=O)[!#1])c1[cH][cH][cH]c(Cl)[cH]1
[!#1]N(C(=O)[CH2][CH2][CH3])S(=O)(=O)[!#1]
[!#1]N(C(=O)[CH3])C(=O)[CH3]
[!#1]N(C(=O)c1[cH]c([cH][cH]c1C(=O)[!#1])C(=O)[!#1])c2[cH][cH]c([cH][cH]2)C(=O)[!#1]
[!#1]N(C(=O)c1[cH]c([cH][cH]c1C(=O)[!#1])C(=O)[OH])c2[cH][cH]c([!#1])[cH][cH]2
[!#1]N(C(=S)SC([!#1])([!#1])C(=O)[!#1])c1[cH][cH]c([cH][cH]1)C(=O)[OH]
[!#1]N(c1[cH][cH][cH][cH][cH]1)c2[cH][cH][cH][cH][cH]2
[!#1]N=[CH][CH]([!#1])[!#1]
[!#1]N=[CH][CH]=N[!#1]
[!#1]N=[CH]c1[cH][cH][cH][cH][cH]1
[!#1]N=[CH]c1[cH][cH][cH][cH]c1[N+](=O)[O-]
[!#1]N=[CH]c1[cH][cH][cH][cH]c1[OH]
[!#1]N=[CH]c1[cH][cH][cH][cH]c1F
[!#1]N=[CH]c1[cH][cH][cH][nH]1
[!#1]N=[CH]c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]N=[CH]c1[cH][cH][cH]c([OH])[cH]1
[!#1]N=[CH]c1[cH][cH][cH]c(Cl)[cH]1
[!#1]N=[CH]c1[cH][cH][cH]c2[cH][cH][cH][cH]c12
[!#1]N=[CH]c1[cH][cH][cH]n[cH]1
[!#1]N=[CH]c1[cH][cH][cH]o1
[!#1]N=[CH]c1[cH][cH]c([!#1])[cH][cH]1
[!#1]N=[CH]c1[cH][cH]c([!#1])o1
[!#1]N=[CH]c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1]N=[CH]c1[cH][cH]c([cH][cH]1)N([!#1])[CH2][CH3]
[!#1]N=[CH]c1[cH][cH]c([cH][cH]1)N([!#1])[CH3]
[!#1]N=[CH]c1[cH][cH]c([CH]=N[!#1])[cH][cH]1
[!#1]N=[CH]c1[cH][cH]c([CH3])o1
[!#1]N=[CH]c1[cH][cH]c([OH])[cH][cH]1
[!#1]N=[CH]c1[cH][cH]c([OH])[cH]c1[OH]
[!#1]N=[CH]c1[cH][cH]c([OH])c([OH])[cH]1
[!#1]N=[CH]c1[cH][cH]c(Br)[cH][cH]1
[!#1]N=[CH]c1[cH][cH]c(Br)s1
[!#1]N=[CH]c1[cH][cH]c(C#Cc2[cH][cH][cH][cH][cH]2)[cH][cH]1
[!#1]N=[CH]c1[cH][cH]c(Cl)[cH][cH]1
[!#1]N=[CH]c1[cH][cH]c(Cl)[cH]c1Cl
[!#1]N=[CH]c1[cH][cH]c(s1)[N+](=O)[O-]
[!#1]N=[CH]c1[cH][cH]c2n([!#1])c3[cH][cH][cH][cH]c3c2[cH]1
[!#1]N=[CH]c1[cH][cH]c2O[CH2]Oc2[cH]1
[!#1]N=[CH]c1[cH][nH]c2[cH][cH][cH][cH]c12
[!#1]N=[CH]c1[cH]c([cH][cH]c1[OH])[N+](=O)[O-]
[!#1]N=[CH]c1[cH]c(Br)[cH][cH]c1[OH]
[!#1]N=[CH]c1[cH]c(Br)[cH]c(c1[OH])C([CH3])([CH3])[CH3]
[!#1]N=[CH]c1[cH]c(c([OH])c([cH]1)C([CH3])([CH3])[CH3])C([CH3])([CH3])[CH3]
[!#1]N=[CH]c1[cH]c(Cl)[cH]c(Cl)c1[OH]
[!#1]N=[CH]c1[cH]c2O[CH2]Oc2[cH]c1[N+](=O)[O-]
[!#1]N=[CH]c1c([CH3])[nH]n([!#1])c1=O
[!#1]N=[CH]c1c([OH])[cH][cH]c2[cH][cH][cH][cH]c12
[!#1]N=[CH]c1c2[cH][cH][cH][cH]c2[cH]c3[cH][cH][cH][cH]c13
[!#1]N=[CH]c1s[cH][cH]c1[CH3]
[!#1]N=[CH]N([CH3])[CH3]
[!#1]N=[N+]([!#1])[O-]
[!#1]N=[N+]=[N-]
[!#1]N=C([CH]([!#1])[!#1])[CH]([!#1])[!#1]
[!#1]N=C([CH3])N([CH3])[CH3]
[!#1]N=C(O[CH3])c1[cH][cH]c([CH3])[cH][cH]1
[!#1]N=C(OC(=O)C([!#1])([!#1])[!#1])c1[cH][cH][cH][cH][cH]1
[!#1]N=C1[CH](C(=O)c2[cH][cH][cH][cH]c12)c3[cH][cH][cH][cH][cH]3
[!#1]N=c1[cH][cH]n([!#1])[cH][cH]1
[!#1]N=C1[CH2][CH2][CH2]c2[cH][cH][cH][cH]c2[NH]1
[!#1]N=C1[NH]C(=[NH])c2[cH][cH][cH][cH]c12
[!#1]N=C1C(=O)[NH]c2[cH][cH][cH][cH]c12
[!#1]N=c1s[cH]c([!#1])n1[!#1]
[!#1]N=c1s[cH]c(c2[cH][cH]c([!#1])[cH][cH]2)n1[!#1]
[!#1]N=N[!#1]
[!#1]N=O
[!#1]N1[CH]([CH3])[CH2][CH2][CH2][CH]1[CH3]
[!#1]N1[CH](S[CH2]C1=O)c2[cH][cH][cH][cH][cH]2
[!#1]n1[cH][cH][cH][cH]c1=[NH]
[!#1]n1[cH][cH][cH]c([CH3])c1=[NH]
[!#1]n1[cH][cH][cH]c1[CH]=O
[!#1]n1[cH][cH][cH]n1
[!#1]n1[cH][cH][cH]nc1=[NH]
[!#1]n1[cH][cH]c([CH3])n1
[!#1]n1[cH][cH]c(=[NH])[cH][cH]1
[!#1]n1[cH][cH]c(=N[CH2]c2[cH][cH][cH][cH][cH]2)[cH][cH]1
[!#1]n1[cH][cH]c(=O)[nH]c1=O
[!#1]n1[cH][cH]c2[cH][cH][cH][cH]c12
[!#1]n1[cH][cH]n[cH]1
[!#1]n1[cH][cH]nc1[CH3]
[!#1]n1[cH][cH]nc1[N+](=O)[O-]
[!#1]n1[cH][cH]sc1=[NH]
[!#1]n1[cH]c(Br)[cH][cH]c1=[NH]
[!#1]n1[cH]n[cH]n1
[!#1]n1[cH]n[n+]([!#1])[cH]1
[!#1]n1[cH]nc([cH]1)[N+](=O)[O-]
[!#1]n1[cH]nc(=O)[cH]n1
[!#1]n1[cH]nc2[cH][cH][cH][cH]c12
[!#1]n1[cH]nn[cH]1
[!#1]N1[CH2][CH]([CH2]C1=O)c2[cH][cH][cH][cH][cH]2
[!#1]N1[CH2][CH]([CH3])C([OH])([CH2][CH]1[CH3])c2[cH][cH][cH][cH][cH]2
[!#1]N1[CH2][CH2][CH]([CH2]1)c2[cH][cH][cH][cH][cH]2
[!#1]N1[CH2][CH2][CH]([CH2]c2[cH][cH][cH][cH][cH]2)[CH2][CH2]1
[!#1]N1[CH2][CH2][CH]([CH3])[CH2][CH2]1
[!#1]N1[CH2][CH2][CH]=[CH][CH2]1
[!#1]N1[CH2][CH2][CH2][CH]1C(=O)[OH]
[!#1]N1[CH2][CH2][CH2][CH2][CH]1[CH2][CH3]
[!#1]N1[CH2][CH2][CH2][CH2][CH2][CH2]1
[!#1]N1[CH2][CH2][CH2][CH2][CH2]1
[!#1]N1[CH2][CH2][CH2][CH2]1
[!#1]N1[CH2][CH2][CH2]C1=O
[!#1]N1[CH2][CH2][CH2]c2[cH][cH][cH][cH]c12
[!#1]N1[CH2][CH2][CH2]c2c([!#1])c3[cH][cH][cH][cH]c3nc12
[!#1]N1[CH2][CH2][CH2]N([!#1])[CH2][CH2]1
[!#1]N1[CH2][CH2][NH][CH2][CH2]1
[!#1]N1[CH2][CH2]C(=[CH][CH2]1)[!#1]
[!#1]N1[CH2][CH2]C(=O)[CH2][CH2]1
[!#1]N1[CH2][CH2]C2([CH2][CH2]1)O[CH2][CH2]O2
[!#1]N1[CH2][CH2]c2[cH][cH][cH][cH]c12
[!#1]N1[CH2][CH2]c2c([CH2]1)c3[cH][cH][cH][cH]c3n2[!#1]
[!#1]N1[CH2][CH2]c2c1nc3[cH][cH][cH][cH]c3c2[!#1]
[!#1]N1[CH2][CH2]c2c1nc3[cH][cH]c([!#1])[cH]c3c2[!#1]
[!#1]N1[CH2][CH2]N([!#1])[CH]1c2[cH][cH]c([!#1])[cH][cH]2
[!#1]N1[CH2][CH2]N([!#1])[CH2][CH2]1
[!#1]N1[CH2][CH2]N([CH2][CH]=[CH]c2[cH][cH][cH][cH][cH]2)[CH2][CH2]1
[!#1]N1[CH2][CH2]N([CH2][CH2]1)[CH]2[CH2]C(=O)N(C2=O)c3[cH][cH][cH][cH][cH]3
[!#1]N1[CH2][CH2]N([CH2][CH2]1)[CH]2[CH2]C(=O)N(C2=O)c3[cH][cH][cH]c([!#1])[cH]3
[!#1]N1[CH2][CH2]N([CH2][CH2]1)[CH]2[CH2]C(=O)N(C2=O)c3[cH][cH]c([!#1])[cH][cH]3
[!#1]N1[CH2][CH2]N([CH2][CH2]1)C(=O)[!#1]
[!#1]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH][cH][cH][cH]2
[!#1]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH][cH][cH]c2[!#1]
[!#1]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH][cH][cH]c2O[CH3]
[!#1]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH][cH][cH]n2
[!#1]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH]c([!#1])[cH][cH]2
[!#1]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH]c([cH][cH]2)[N+](=O)[O-]
[!#1]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH]c(Cl)[cH][cH]2
[!#1]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH]c(F)[cH][cH]2
[!#1]N1[CH2][CH2]N([CH2][CH2]1)c2[cH][cH]c3[cH][cH][cH][cH]c3n2
[!#1]N1[CH2][CH2]N([CH2][CH2]1)S(=O)(=O)[!#1]
[!#1]N1[CH2][CH2]N([CH3])[CH2][CH2]1
[!#1]N1[CH2][CH2]N2[CH2][CH2][CH2][CH]2[CH2]1
[!#1]N1[CH2][CH2]n2c3[CH]1[CH2][CH2][CH2]c3c4[cH]c([!#1])[cH][cH]c24
[!#1]N1[CH2][CH2]n2c3[CH]1[CH2][CH2][CH2]c3c4[cH]c([CH3])[cH][cH]c24
[!#1]N1[CH2][CH2]O[CH2][CH2]1
[!#1]N1[CH2][CH2]O[CH2][CH2]O[CH2][CH2][NH][CH2][CH2]O[CH2][CH2]O[CH2][CH2]1
[!#1]N1[CH2][CH2]O[CH2][CH2]O[CH2][CH2]N([!#1])[CH2][CH2]O[CH2][CH2]O[CH2][CH2]1
[!#1]N1[CH2][CH2]O[CH2][CH2]O[CH2][CH2]O[CH2][CH2]O[CH2][CH2]1
[!#1]N1[CH2][CH2]O[CH2][CH2]O[CH2][CH2]O[CH2][CH2]O[CH2][CH2]O[CH2][CH2]1
[!#1]N1[CH2][CH2]SC1=[NH]
[!#1]N1[CH2]C([!#1])([!#1])C(=O)C([!#1])([!#1])[CH2]1
[!#1]N1[CH2]C(=O)[NH]c2[cH][cH][cH][cH]c12
[!#1]N1[CH2]C(=O)N([!#1])C(=O)[CH2]1
[!#1]N1[CH2]c2[cH][cH][cH][cH]c2[CH2]1
[!#1]N1[CH2]c2[cH][cH][cH][cH]c2C1=O
[!#1]n1c([CH3])[cH][cH]c1[CH3]
[!#1]n1c([CH3])[cH]c([CH3])nc1=O
[!#1]n1c([CH3])n[cH]c1[N+](=O)[O-]
[!#1]n1c([CH3])nc2[cH][cH][cH][cH]c12
[!#1]n1c(=[NH])n([!#1])c2[cH][cH][cH][cH]c12
[!#1]n1c(=[NH])sc2[cH][cH][cH][cH]c12
[!#1]N1C(=O)[CH]=[CH]C1=O
[!#1]N1C(=O)[CH]2[CH]([CH]3[CH]=[CH][CH]2[CH]4[CH]3C(=O)N([!#1])C4=O)C1=O
[!#1]N1C(=O)[CH]2[CH]([CH]3[CH]=[CH][CH]2[CH]4[CH2][CH]43)C1=O
[!#1]N1C(=O)[CH]2[CH]([CH]3c4[cH][cH][cH][cH]c4[CH]2c5[cH][cH][cH][cH]c35)C1=O
[!#1]N1C(=O)[CH]2[CH]3[CH2][CH]([CH]=[CH]3)[CH]2C1=O
[!#1]N1C(=O)[CH]2[CH]3OC([!#1])([CH]=[CH]3)[CH]2C1=O
[!#1]N1C(=O)[CH2][CH2]C1=O
[!#1]N1C(=O)[CH2][NH][CH2]C1=O
[!#1]N1C(=O)[CH2]SC1=S
[!#1]N1C(=O)[NH]C2([CH2][CH2][CH2][CH2][CH2]2)C1=O
[!#1]N1C(=O)[NH]C2([CH2][CH2][CH2][CH2]2)C1=O
[!#1]N1C(=O)C([!#1])([OH])c2[cH][cH][cH][cH]c12
[!#1]N1C(=O)C(=[CH]c2[cH][cH][cH][cH][cH]2)SC1=S
[!#1]N1C(=O)C(=[CH]c2[cH][cH]c(Cl)[cH][cH]2)SC1=S
[!#1]N1C(=O)C(=[CH]c2[cH][cH]c(F)[cH][cH]2)SC1=S
[!#1]N1C(=O)C(=[CH]c2[cH][cH]c(O[CH3])[cH][cH]2)SC1=S
[!#1]N1C(=O)C(=C2C(=O)[NH]c3[cH][cH][cH][cH]c23)SC1=S
[!#1]N1C(=O)C(=C2SC(=S)N([!#1])C2=O)SC1=S
[!#1]N1C(=O)C(=C2S(c3[cH][cH][cH][cH]c3N2[!#1])SC1=S)
[!#1]N1C(=O)C(=O)c2[cH][cH][cH][cH]c12
[!#1]N1C(=O)C(=O)c2[cH]c([!#1])[cH][cH]c12
[!#1]N1C(=O)c2[cH][cH][cH][cH]c2C1=O
[!#1]N1C(=O)c2[cH][cH][cH]c3[cH][cH][cH]c(C1=O)c23
[!#1]N1C(=O)c2[cH][cH][cH]c3c([!#1])[cH][cH]c(C1=O)c23
[!#1]N1C(=O)c2[cH][cH][cH]c3c([!#1])[cH][cH]c1c23
[!#1]N1C(=O)c2[cH][cH][cH]c3c([cH][cH]c(C1=O)c23)N4[CH2][CH2]O[CH2][CH2]4
[!#1]N1C(=O)c2[cH][cH]c([!#1])[cH]c2C1=O
[!#1]N1C(=O)c2[cH][cH]c([cH]c2C1=O)[N+](=O)[O-]
[!#1]N1C(=O)c2[cH][cH]c([cH]c2C1=O)C(=O)[OH]
[!#1]N1C(=O)c2[cH][cH]c([cH]c2C1=O)c3[cH][cH]c4C(=O)N([!#1])C(=O)c4[cH]3
[!#1]N1C(=O)c2[cH][cH]c(Br)[cH]c2C1=O
[!#1]n1c(=O)c2[cH]c3c(=O)n([!#1])c(=O)c3[cH]c2c1=O
[!#1]N1C(=O)N([!#1])C(=O)C([!#1])([!#1])C1=O
[!#1]n1c(=O)n([!#1])c(=O)n([!#1])c1=O
[!#1]n1c(=O)oc2[cH][cH][cH][cH]c12
[!#1]n1c(=O)oc2[cH]c(Br)[cH][cH]c12
[!#1]n1c(=O)oc2[cH]c(Cl)[cH][cH]c12
[!#1]n1c(=S)n([!#1])c2[cH][cH][cH][cH]c12
[!#1]n1c(=S)oc2[cH][cH][cH][cH]c12
[!#1]n1c(=S)sc2[cH][cH][cH][cH]c12
[!#1]N1c2[cH][cH][cH][cH]c2[CH]=[CH]c3[cH][cH][cH][cH]c13
[!#1]N1c2[cH][cH][cH][cH]c2[CH]=[CH]c3[cH][cH]c([!#1])[cH]c13
[!#1]N1c2[cH][cH][cH][cH]c2[CH2][CH2]c3[cH][cH][cH][cH]c13
[!#1]N1c2[cH][cH][cH][cH]c2[CH2][CH2]c3[cH][cH]c([!#1])[cH]c13
[!#1]N1c2[cH][cH][cH][cH]c2[CH2][CH2]c3[cH][cH]c([NH]C(=O)[!#1])[cH]c13
[!#1]N1c2[cH][cH][cH][cH]c2C([CH3])([CH3])C1([!#1])[!#1]
[!#1]n1c2[cH][cH][cH][cH]c2c(=O)c3[cH][cH][cH][cH]c13
[!#1]n1c2[cH][cH][cH][cH]c2c3[cH][cH][cH][cH]c13
[!#1]n1c2[cH][cH][cH][cH]c2c3nc4[cH][cH]c([cH]c4[cH]c13)[N+](=O)[O-]
[!#1]N1c2[cH][cH][cH][cH]c2Oc3nnc(Cl)[cH]c13
[!#1]N1c2[cH][cH][cH][cH]c2SC1([!#1])[!#1]
[!#1]N1c2[cH][cH][cH][cH]c2S(c3[cH][cH][cH][cH]c13)
[!#1]N1c2[cH][cH][cH][cH]c2S(c3[cH][cH]c([!#1])[cH]c13)
[!#1]N1c2[cH][cH][cH][cH]c2S(c3[cH][cH]c([cH]c13)C(F)(F)F)
[!#1]N1c2[cH][cH][cH][cH]c2S(c3[cH][cH]c([NH]C(=O)[!#1])[cH]c13)
[!#1]n1c2[cH][cH]c(Br)[cH]c2c3[cH]c(Br)[cH][cH]c13
[!#1]n1c2[cH][cH]c(Cl)[cH]c2c3[cH]c(Cl)[cH][cH]c13
[!#1]n1c2[CH2][CH2][CH2][CH2]c2sc1=[NH]
[!#1]n1c2[CH2][CH2][CH2]c2c(=[NH])c3[cH][cH][cH][cH]c13
[!#1]n1c2[CH2][CH2][CH2]c2c3[cH][cH][cH][cH]c13
[!#1]n1c-2c([CH2][CH2]c3c2[cH]nn3c4[cH][cH][cH][cH][cH]4)c5[cH][cH][cH][cH]c15
[!#1]n1c2C(=O)[CH2][CH2][CH2]c2c3[cH]c([CH3])[cH][cH]c13
[!#1]n1c2c(n([!#1])c3[cH][cH][cH][cH]c23)c4[cH][cH][cH][cH]c14
[!#1]n1n[cH][n+]2nc([CH3])[cH]c([OH])c12
[!#1]N1N=C([CH2][CH](C1=O)c2[cH][nH]c3[cH][cH][cH][cH]c23)c4[cH][cH][cH][cH][cH]4
[!#1]N1N=C([CH2][CH](C1=O)c2[cH]n([!#1])c3[cH][cH][cH][cH]c23)c4[cH][cH][cH][cH][cH]4
[!#1]N1N=C2[CH]([CH2][CH2]c3[cH][cH]c([!#1])[cH]c23)[CH]1c4[cH][cH]c([!#1])[cH][cH]4
[!#1]N1N=C2[CH]([CH2][CH2]c3[cH]c([!#1])[cH][cH]c23)[CH]1c4[cH][cH]c([!#1])[cH][cH]4
[!#1]n1nc([CH3])[cH]c1[CH3]
[!#1]n1nc([CH3])c(Br)c1[CH3]
[!#1]n1nc(c2[cH][cH][cH][cH][cH]2)c3[cH][cH][cH]c3c1c4[cH][cH][cH][cH][cH]4
[!#1]n1nc(nc1c2[cH][cH][cH][cH][cH]2)c3[cH][cH][cH][cH][cH]3
[!#1]n1nc2[cH][cH][cH][cH]c2n1
[!#1]n1nc2C(=N[NH][CH3])c3nn([!#1])nc3C(=N[NH][CH3])c2n1
[!#1]n1nc2C(=N[OH])c3nn([!#1])nc3C(=N[OH])c2n1
[!#1]n1nc2C(=NN=C([CH3])[CH3])c3nn([!#1])nc3C(=NN=C([CH3])[CH3])c2n1
[!#1]n1nc2C(=NOC(=O)[CH3])c3nn([!#1])nc3C(=NOC(=O)[CH3])c2n1
[!#1]n1nnc2[cH][cH][cH][cH]c12
[!#1]n1nnc2c(=O)oc3[cH][cH][cH][cH]c3c12
[!#1]n1nnnc1C2([!#1])[CH2][CH2][CH2][CH2][CH2]2
[!#1]n1nnnc1C2([!#1])[CH2][CH2][CH2][CH2]2
[!#1]n1nnnc1c2[cH][cH][cH][cH][cH]2
[!#1]O[!#1]
[!#1]O[CH]([!#1])[!#1]
[!#1]O[CH]([CH]([!#1])[CH2][CH]1[CH2][CH2]N([!#1])[CH2][CH]1[CH]([!#1])[!#1])c2[cH][cH]nc3[cH][cH][cH][cH]c23
[!#1]O[CH]([CH3])[CH3]
[!#1]O[CH]([CH3])C([!#1])([!#1])Cl
[!#1]O[CH]([CH3])C(=O)[NH][NH2]
[!#1]O[CH]([CH3])C(=O)[NH]N=[CH][!#1]
[!#1]O[CH]([CH3])C(=O)[NH]N=[CH]c1[cH][cH][cH][cH][cH]1
[!#1]O[CH]([CH3])C(=O)[NH]N=[CH]c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]O[CH]([CH3])C(=O)[NH]N=[CH]c1[cH]c([cH][cH]c1[OH])[N+](=O)[O-]
[!#1]O[CH]([CH3])C(=O)[OH]
[!#1]O[CH]([NH]C(=O)[!#1])C(Br)(Br)Br
[!#1]O[CH]([NH]C(=O)[!#1])C(Cl)(Cl)Cl
[!#1]O[CH](C(F)(F)F)C(F)(F)F
[!#1]O[CH](F)F
[!#1]O[CH]1[CH2][CH]([CH3])[CH2][CH2][CH]1[CH]([CH3])[CH3]
[!#1]O[CH]1[CH2][CH2][CH]([CH2][CH2]1)C([CH3])([CH3])[CH3]
[!#1]O[CH2][CH]([!#1])[!#1]
[!#1]O[CH2][CH]([CH3])[CH3]
[!#1]O[CH2][CH]([OH])[CH2][NH][CH]([CH3])[CH3]
[!#1]O[CH2][CH]([OH])[CH2][NH]C([CH3])([CH3])[CH2]C([CH3])([CH3])[CH3]
[!#1]O[CH2][CH]([OH])[CH2][NH]C([CH3])([CH3])[CH3]
[!#1]O[CH2][CH]([OH])[CH2][NH]S(=O)(=O)[OH]
[!#1]O[CH2][CH]([OH])[CH2]N([!#1])[CH2][CH3]
[!#1]O[CH2][CH]([OH])[CH2]N([!#1])[CH3]
[!#1]O[CH2][CH]([OH])[CH2]N([CH2][CH3])[CH2][CH3]
[!#1]O[CH2][CH]([OH])[CH2]N([CH2][CH3])S(=O)(=O)[OH]
[!#1]O[CH2][CH]([OH])[CH2]N([CH3])[CH2][CH]([OH])[CH2][NH]S(=O)(=O)[OH]
[!#1]O[CH2][CH]([OH])[CH2]N([CH3])S(=O)(=O)[OH]
[!#1]O[CH2][CH]=[CH2]
[!#1]O[CH2][CH]1O[CH]([!#1])[CH](O[!#1])[CH]1O[!#1]
[!#1]O[CH2][CH2][CH]([CH3])[CH3]
[!#1]O[CH2][CH2][CH2][CH2][CH2][CH2][CH3]
[!#1]O[CH2][CH2][CH2][CH2][CH2][CH3]
[!#1]O[CH2][CH2][CH2][CH2][CH3]
[!#1]O[CH2][CH2][CH2][CH3]
[!#1]O[CH2][CH2][CH2]C(=O)[!#1]
[!#1]O[CH2][CH2][CH3]
[!#1]O[CH2][CH2][NH]C(=O)[!#1]
[!#1]O[CH2][CH2][NH2]
[!#1]O[CH2][CH2][OH]
[!#1]O[CH2][CH2]c1[cH][cH][cH][cH][cH]1
[!#1]O[CH2][CH2]Cl
[!#1]O[CH2][CH2]F
[!#1]O[CH2][CH2]N([CH2][CH3])[CH2][CH3]
[!#1]O[CH2][CH2]O[!#1]
[!#1]O[CH2][CH2]OC(=O)[!#1]
[!#1]O[CH2][CH2]S(=O)(=O)[!#1]
[!#1]O[CH2][CH3]
[!#1]O[CH2]C#[CH]
[!#1]O[CH2]C([!#1])([!#1])Cl
[!#1]O[CH2]C(=O)[!#1]
[!#1]O[CH2]C(=O)[CH3]
[!#1]O[CH2]C(=O)[NH][CH]([!#1])[CH3]
[!#1]O[CH2]C(=O)[NH][CH]([CH2][CH2]S[CH3])C(=O)O[CH3]
[!#1]O[CH2]C(=O)[NH][CH2][CH2]N([CH3])[CH3]
[!#1]O[CH2]C(=O)[NH][NH]C(=O)[!#1]
[!#1]O[CH2]C(=O)[NH][NH]C(=O)[CH2][CH2][CH2][CH2][CH3]
[!#1]O[CH2]C(=O)[NH][NH2]
[!#1]O[CH2]C(=O)[NH]C(=O)O[!#1]
[!#1]O[CH2]C(=O)[NH]N=[CH][!#1]
[!#1]O[CH2]C(=O)[NH]N=[CH][CH]([!#1])[!#1]
[!#1]O[CH2]C(=O)[NH]N=[CH][CH]=[CH][!#1]
[!#1]O[CH2]C(=O)[NH]N=[CH][CH]=[CH]c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1[!#1]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1[OH]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1Cl
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH][cH]c1O[CH3]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH]c([!#1])[cH]1
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH]c([!#1])[cH][cH]1
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH]c([!#1])[cH]c1[OH]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH]c([CH3])o1
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH]c([OH])[cH][cH]1
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH]c([OH])c([cH]1)[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH]c(Cl)[cH][cH]1
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH]c(Cl)c([cH]1)[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH]c(O[CH3])c([cH]1)[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH][cH]c(s1)[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH]c([cH][cH]c1[OH])[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH]c(I)[cH]c([!#1])c1[OH]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH]c(N=Nc2[cH][cH][cH][cH][cH]2)[cH][cH]c1[OH]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH]c2[cH][cH][cH][cH]c2nc1Cl
[!#1]O[CH2]C(=O)[NH]N=[CH]c1[cH]c2O[CH2]Oc2[cH]c1[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=[CH]c1c([OH])[cH][cH]c2[cH][cH][cH][cH]c12
[!#1]O[CH2]C(=O)[NH]N=[CH]c1c(Cl)[cH][cH][cH]c1Cl
[!#1]O[CH2]C(=O)[NH]N=[CH]c1c(O[CH3])[cH][cH]c2[cH][cH][cH][cH]c12
[!#1]O[CH2]C(=O)[NH]N=C([!#1])[CH3]
[!#1]O[CH2]C(=O)[NH]N=C([CH3])[CH]([!#1])[!#1]
[!#1]O[CH2]C(=O)[NH]N=C([CH3])[CH]=[CH][!#1]
[!#1]O[CH2]C(=O)[NH]N=C([CH3])[CH]=[CH]c1[cH][cH][cH]o1
[!#1]O[CH2]C(=O)[NH]N=C([CH3])c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=C([CH3])c1[cH][cH][cH]s1
[!#1]O[CH2]C(=O)[NH]N=C([CH3])c1[cH][cH]c(Br)s1
[!#1]O[CH2]C(=O)[NH]N=C(C(=O)[!#1])c1[cH]c(Br)[cH][cH]c1N([!#1])[CH3]
[!#1]O[CH2]C(=O)[NH]N=C1[CH2][CH2][CH2][CH2][CH2]1
[!#1]O[CH2]C(=O)[NH]N=C1C(=O)[NH]c2[cH][cH][cH][cH]c12
[!#1]O[CH2]C(=O)[NH]N=C1C(=O)[NH]c2[cH][cH]c([!#1])[cH]c12
[!#1]O[CH2]C(=O)[NH]N=C1C(=O)[NH]c2[cH][cH]c([cH]c12)[N+](=O)[O-]
[!#1]O[CH2]C(=O)[NH]N=C1C(=O)N([!#1])c2[cH][cH]c([!#1])[cH]c12
[!#1]O[CH2]C(=O)[NH]N=C1C(=O)N([CH3])c2[cH][cH]c(Br)[cH]c12
[!#1]O[CH2]C(=O)[NH2]
[!#1]O[CH2]C(=O)[OH]
[!#1]O[CH2]C(=O)c1[cH][cH][cH][cH][cH]1
[!#1]O[CH2]C(=O)c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1]O[CH2]C(=O)c1[cH][cH]c(Br)[cH][cH]1
[!#1]O[CH2]C(=O)c1[cH][cH]c(Cl)[cH][cH]1
[!#1]O[CH2]C(=O)c1[cH][cH]c(O[!#1])[cH][cH]1
[!#1]O[CH2]C(=O)N([!#1])[CH2][CH3]
[!#1]O[CH2]C(=O)N([!#1])[CH3]
[!#1]O[CH2]C(=O)N([CH2][CH3])[CH2][CH3]
[!#1]O[CH2]C(=O)O[!#1]
[!#1]O[CH2]C(=O)O[CH2]C(=O)[!#1]
[!#1]O[CH2]C(=O)O[CH3]
[!#1]O[CH2]C(=O)ON=[CH]c1[cH][cH]c(Br)[cH][cH]1
[!#1]O[CH2]C(=O)ON=C([CH3])C([CH3])([CH3])[CH3]
[!#1]O[CH2]C(F)(F)F
[!#1]O[CH2]c1[cH][cH][cH][cH][cH]1
[!#1]O[CH3]
[!#1]OC([!#1])([!#1])C(=O)[!#1]
[!#1]OC([!#1])([!#1])c1[cH][cH][cH][cH]c1C(=O)[!#1]
[!#1]OC([!#1])([!#1])c1[cH][cH][cH][cH]c1C(=O)C([!#1])([!#1])c2[cH][cH][cH][cH][cH]2
[!#1]OC([!#1])([!#1])c1[cH]c([CH3])[nH]c(=O)c1C(=O)[!#1]
[!#1]OC([CH3])([CH3])[CH3]
[!#1]OC(=O)[!#1]
[!#1]OC(=O)[CH]([CH3])[NH]C(=O)OC([CH3])([CH3])[CH3]
[!#1]OC(=O)[CH]=[CH][!#1]
[!#1]OC(=O)[CH]=[CH]c1[cH][cH][cH][cH][cH]1
[!#1]OC(=O)[CH2][CH2][CH2]C(=O)O[!#1]
[!#1]OC(=O)[CH2][CH2][CH3]
[!#1]OC(=O)[CH2][CH2]C(=O)O[CH3]
[!#1]OC(=O)[CH2][CH3]
[!#1]OC(=O)[CH2]C(=O)[CH3]
[!#1]OC(=O)[CH3]
[!#1]OC(=O)[NH][CH3]
[!#1]OC(=O)[NH]C(=O)[CH2][CH2]Br
[!#1]OC(=O)[NH2]
[!#1]OC(=O)C(=[CH2])[CH3]
[!#1]OC(=O)C(F)(F)F
[!#1]OC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
[!#1]OC(=O)O[CH3]
[!#1]OC(C(=O)[!#1])(c1[cH][cH][cH][cH][cH]1)c2[cH][cH][cH][cH][cH]2
[!#1]OC(F)(F)[CH](F)Cl
[!#1]OC(F)(F)[CH](F)F
[!#1]OC1([CH2][CH2][CH2][CH2][CH2]1)C([!#1])([!#1])[!#1]
[!#1]Oc1[cH][cH][cH][cH][cH]1
[!#1]Oc1[cH][cH][cH][cH]c1[!#1]
[!#1]Oc1[cH][cH][cH][cH]c1[N+](=O)[O-]
[!#1]Oc1[cH][cH][cH][cH]c1[NH]C(=O)[!#1]
[!#1]Oc1[cH][cH][cH][cH]c1[OH]
[!#1]Oc1[cH][cH][cH][cH]c1C(=O)[!#1]
[!#1]Oc1[cH][cH][cH][cH]c1F
[!#1]Oc1[cH][cH][cH][cH]c1N([!#1])C(=O)[CH]([!#1])[CH2]C(=O)[!#1]
[!#1]Oc1[cH][cH][cH][cH]c1O[!#1]
[!#1]Oc1[cH][cH][cH]c([!#1])[cH]1
[!#1]Oc1[cH][cH][cH]c([CH]=N[!#1])c1[OH]
[!#1]Oc1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]Oc1[cH][cH][cH]c([cH]1)C(=O)[!#1]
[!#1]Oc1[cH][cH][cH]c([CH3])[cH]1
[!#1]Oc1[cH][cH][cH]c2[cH][cH][cH][cH]c12
[!#1]Oc1[cH][cH][cH]c2[cH][cH][cH]nc12
[!#1]Oc1[cH][cH][cH]nc1[!#1]
[!#1]Oc1[cH][cH]c([!#1])[cH][cH]1
[!#1]Oc1[cH][cH]c([!#1])[cH]c1[!#1]
[!#1]Oc1[cH][cH]c([!#1])[cH]c1Br
[!#1]Oc1[cH][cH]c([!#1])[cH]c1O[!#1]
[!#1]Oc1[cH][cH]c([!#1])c([cH]1)[N+](=O)[O-]
[!#1]Oc1[cH][cH]c([cH][cH]1)[CH]([!#1])[!#1]
[!#1]Oc1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1]Oc1[cH][cH]c([cH][cH]1)C([CH3])([CH3])[CH3]
[!#1]Oc1[cH][cH]c([cH][cH]1)C([CH3])([CH3])c2[cH][cH]c([!#1])[cH][cH]2
[!#1]Oc1[cH][cH]c([cH][cH]1)C([CH3])([CH3])c2[cH][cH]c(O[!#1])[cH][cH]2
[!#1]Oc1[cH][cH]c([cH][cH]1)C(=O)[!#1]
[!#1]Oc1[cH][cH]c([cH][cH]1)C(=O)[OH]
[!#1]Oc1[cH][cH]c([cH][cH]1)C(c2[cH][cH][cH][cH]c2[!#1])(c3[cH][cH][cH][cH]c3[!#1])c4[cH][cH]c(O[!#1])[cH][cH]4
[!#1]Oc1[cH][cH]c([cH][cH]1)C(O[!#1])(c2[cH][cH][cH][cH][cH]2)c3[cH][cH]c([!#1])[cH][cH]3
[!#1]Oc1[cH][cH]c([cH][cH]1)N([!#1])[CH2]c2[cH][cH]c(Br)[cH][cH]2
[!#1]Oc1[cH][cH]c([cH][cH]1)N([!#1])[CH2]c2[cH][cH]c(F)[cH][cH]2
[!#1]Oc1[cH][cH]c([cH][cH]1)N([!#1])C(=O)[CH]([!#1])[CH2]C(=O)[!#1]
[!#1]Oc1[cH][cH]c([cH][cH]1)N([!#1])C(=O)[CH]([CH2]C(=O)[!#1])S[CH2]C(=O)[!#1]
[!#1]Oc1[cH][cH]c([cH][cH]1)S(=O)(=O)[!#1]
[!#1]Oc1[cH][cH]c([cH][cH]1)S(=O)(=O)c2[cH][cH]c([!#1])[cH][cH]2
[!#1]Oc1[cH][cH]c([CH]=N[!#1])[cH][cH]1
[!#1]Oc1[cH][cH]c([CH]=N[!#1])[cH]c1[OH]
[!#1]Oc1[cH][cH]c([CH]=N[!#1])[cH]c1O[!#1]
[!#1]Oc1[cH][cH]c([CH]=N[!#1])c(O[!#1])[cH]1
[!#1]Oc1[cH][cH]c([CH]=O)[cH][cH]1
[!#1]Oc1[cH][cH]c([cH]c1O[!#1])[CH]([!#1])[!#1]
[!#1]Oc1[cH][cH]c([cH]c1O[!#1])C(=O)[!#1]
[!#1]Oc1[cH][cH]c([CH2][CH2]N([!#1])[CH3])[cH]c1O[!#1]
[!#1]Oc1[cH][cH]c([CH2]C(=O)[!#1])[cH][cH]1
[!#1]Oc1[cH][cH]c([CH2]C(=O)[!#1])[cH]c1O[!#1]
[!#1]Oc1[cH][cH]c([CH3])[cH][cH]1
[!#1]Oc1[cH][cH]c([CH3])[cH]c1[CH3]
[!#1]Oc1[cH][cH]c([CH3])[cH]c1[N+](=O)[O-]
[!#1]Oc1[cH][cH]c([CH3])c([CH3])[cH]1
[!#1]Oc1[cH][cH]c([NH]C(=O)[!#1])[cH]c1Cl
[!#1]Oc1[cH][cH]c([NH2])[cH][cH]1
[!#1]Oc1[cH][cH]c([OH])[cH][cH]1
[!#1]Oc1[cH][cH]c(Br)[cH][cH]1
[!#1]Oc1[cH][cH]c(C(=O)[OH])c([cH]1)C(=O)[OH]
[!#1]Oc1[cH][cH]c(Cl)[cH][cH]1
[!#1]Oc1[cH][cH]c(Cl)[cH]c1Cl
[!#1]Oc1[cH][cH]c(O[!#1])[cH][cH]1
[!#1]Oc1[cH][cH]c2[cH][cH][cH][cH]c2[cH]1
[!#1]Oc1[cH][cH]c2[cH][cH][cH][cH]c2c1[CH2]c3c(O[!#1])[cH][cH]c4[cH][cH][cH][cH]c34
[!#1]Oc1[cH][cH]c2[cH][cH][cH][cH]c2c1Br
[!#1]Oc1[cH][cH]c2c([CH3])[cH]c(=O)oc2[cH]1
[!#1]Oc1[cH][cH]c2c(=O)c([!#1])[cH]oc2[cH]1
[!#1]Oc1[cH][cH]c2c(=O)c([!#1])c([CH3])oc2[cH]1
[!#1]Oc1[cH][cH]c2C(=O)OC(=O)c2[cH]1
[!#1]Oc1[cH]c([cH][cH]c1[!#1])[CH]([!#1])[!#1]
[!#1]Oc1[cH]c([cH][cH]c1[OH])[CH]([!#1])[!#1]
[!#1]Oc1[cH]c([CH]=N[!#1])[cH][cH]c1[OH]
[!#1]Oc1[cH]c([cH]c(O[!#1])c1O[!#1])C(=O)[!#1]
[!#1]Oc1[cH]c([CH3])[cH]c(O[!#1])[cH]1
[!#1]Oc1[cH]c(Br)[cH]c([CH]=N[!#1])c1[OH]
[!#1]Oc1c([!#1])[cH][cH][cH]c1[CH]([!#1])[!#1]
[!#1]Oc1c([CH3])[cH]c(Br)[cH]c1[CH3]
[!#1]Oc1c(Br)[cH]c(Br)c2[cH][cH][cH]nc12
[!#1]Oc1c(Cl)[cH]c(Cl)[cH]c1C(=O)[!#1]
[!#1]Oc1c(F)c(F)c([!#1])c(F)c1F
[!#1]OP(=O)([OH])O[!#1]
[!#1]OP(=O)(O[!#1])O[!#1]
[!#1]OS(=O)(=O)[!#1]
[!#1]OS(=O)(=O)[CH2][CH2]S(=O)(=O)[!#1]
[!#1]OS(=O)(=O)[CH2][CH2]S[!#1]
[!#1]OS(=O)(=O)[CH3]
[!#1]OS(=O)(=O)[OH]
[!#1]P(=O)([OH])O[CH2][CH3]
[!#1]P(=O)(O[CH3])O[CH3]
[!#1]P1(=O)O[CH2][CH2][CH2]O1
[!#1]S(=O)(=O)[!#1]
[!#1]S(=O)(=O)[CH]1[CH2][CH2]S(=O)(=O)[CH2]1
[!#1]S(=O)(=O)[CH2][CH2][CH2][CH2][CH2][CH3]
[!#1]S(=O)(=O)[CH2][CH2][OH]
[!#1]S(=O)(=O)[CH2][CH2]C(=O)[CH3]
[!#1]S(=O)(=O)[CH2][CH2]C(=O)[OH]
[!#1]S(=O)(=O)[CH2][CH2]C(=O)O[CH2][CH3]
[!#1]S(=O)(=O)[CH2][CH2]C(=O)O[CH3]
[!#1]S(=O)(=O)[CH2][CH3]
[!#1]S(=O)(=O)[CH2]Br
[!#1]S(=O)(=O)[CH2]C(=N[NH]C(=S)[NH2])[CH3]
[!#1]S(=O)(=O)[CH2]C(=O)[CH3]
[!#1]S(=O)(=O)[CH2]C(=O)[NH2]
[!#1]S(=O)(=O)[CH2]C(=O)[OH]
[!#1]S(=O)(=O)[CH2]OC(=O)[CH3]
[!#1]S(=O)(=O)[CH3]
[!#1]S(=O)(=O)[NH][CH]([CH]([CH3])[CH3])C(=O)[OH]
[!#1]S(=O)(=O)[NH][CH]([CH2][CH2][CH3])C(=O)[OH]
[!#1]S(=O)(=O)[NH][CH]([CH3])[CH3]
[!#1]S(=O)(=O)[NH][CH2][CH2][CH2][CH2][CH2][CH3]
[!#1]S(=O)(=O)[NH][CH2][CH2][CH2][CH2][CH2]C(=O)[OH]
[!#1]S(=O)(=O)[NH][CH2][CH2][CH2][CH3]
[!#1]S(=O)(=O)[NH][CH2][CH2][CH2][OH]
[!#1]S(=O)(=O)[NH][CH2][CH2][CH2]C(=O)[OH]
[!#1]S(=O)(=O)[NH][CH2][CH2][OH]
[!#1]S(=O)(=O)[NH][CH2][CH2]C(=O)[OH]
[!#1]S(=O)(=O)[NH][CH2][CH2]OC(=O)[NH][CH2][CH2][CH2][CH3]
[!#1]S(=O)(=O)[NH][CH2]C(=O)[OH]
[!#1]S(=O)(=O)[NH][CH2]C(=O)O[CH2][CH3]
[!#1]S(=O)(=O)[NH][CH3]
[!#1]S(=O)(=O)[NH]C([CH3])([CH3])[CH3]
[!#1]S(=O)(=O)[NH]C(=O)[CH3]
[!#1]S(=O)(=O)[NH]C(=O)[NH2]
[!#1]S(=O)(=O)[NH]C(=O)O[CH2][CH2]N([CH2][CH3])[CH2][CH3]
[!#1]S(=O)(=O)[NH2]
[!#1]S(=O)(=O)[OH]
[!#1]S(=O)(=O)C([CH3])([CH3])[CH2]C(=O)[CH3]
[!#1]S(=O)(=O)C([CH3])([CH3])[CH3]
[!#1]S(=O)(=O)C(F)(F)F
[!#1]S(=O)(=O)c1[cH][cH][cH][cH][cH]1
[!#1]S(=O)(=O)c1[cH][cH][cH][cH]c1[N+](=O)[O-]
[!#1]S(=O)(=O)c1[cH][cH][cH][cH]c1Cl
[!#1]S(=O)(=O)c1[cH][cH][cH]c([cH]1)[N+](=O)[O-]
[!#1]S(=O)(=O)c1[cH][cH][cH]c([cH]1)C(F)(F)F
[!#1]S(=O)(=O)c1[cH][cH][cH]c([cH]1)S(=O)(=O)c2[cH][cH]c(Cl)[cH][cH]2
[!#1]S(=O)(=O)c1[cH][cH][cH]c([cH]1)S(=O)(=O)c2[cH][cH]c(Cl)c(Cl)[cH]2
[!#1]S(=O)(=O)c1[cH][cH][cH]c2[cH][cH][cH]nc12
[!#1]S(=O)(=O)c1[cH][cH][cH]c2nsnc12
[!#1]S(=O)(=O)c1[cH][cH]c([cH][cH]1)[CH]2[CH2][CH2][CH2][CH2][CH2]2
[!#1]S(=O)(=O)c1[cH][cH]c([cH][cH]1)[N+](=O)[O-]
[!#1]S(=O)(=O)c1[cH][cH]c([cH][cH]1)C([CH3])([CH3])[CH3]
[!#1]S(=O)(=O)c1[cH][cH]c([cH][cH]1)C(=O)[OH]
[!#1]S(=O)(=O)c1[cH][cH]c([CH3])[cH][cH]1
[!#1]S(=O)(=O)c1[cH][cH]c([CH3])c([cH]1)[N+](=O)[O-]
[!#1]S(=O)(=O)c1[cH][cH]c(Br)[cH][cH]1
[!#1]S(=O)(=O)c1[cH][cH]c(Cl)[cH][cH]1
[!#1]S(=O)(=O)c1[cH][cH]c(Cl)c([cH]1)[N+](=O)[O-]
[!#1]S(=O)(=O)c1[cH][cH]c(Cl)c(Cl)[cH]1
[!#1]S(=O)(=O)c1[cH][cH]c(S(c2[cH][cH]c([cH][cH]2)S(=O)(=O)[!#1]))[cH][cH]1
[!#1]S(=O)(=O)c1[cH][cH]c2[cH][cH][cH][cH]c2[cH]1
[!#1]S(=O)(=O)c1c([cH]c([cH]c1[CH]([CH3])[CH3])[CH]([CH3])[CH3])[CH]([CH3])[CH3]
[!#1]S(=O)(=O)c1c([CH3])[cH]c([CH3])[cH]c1[CH3]
[!#1]S(=O)(=O)N([CH2][CH]([CH3])[CH3])[CH2][CH]([CH3])[CH3]
[!#1]S(=O)(=O)N([CH2][CH2][CH2][CH3])[CH2][CH2]C(=O)[NH2]
[!#1]S(=O)(=O)N([CH2][CH2][CH3])[CH2][CH2][CH3]
[!#1]S(=O)(=O)N([CH2][CH2][OH])[CH2][CH2][OH]
[!#1]S(=O)(=O)N([CH2][CH3])[CH2][CH3]
[!#1]S(=O)(=O)N([CH3])[CH3]
[!#1]S(=O)(=O)N1[CH2][CH2][CH2][CH2][CH2]1
[!#1]S(=O)(=O)N1[CH2][CH2]O[CH2][CH2]1
[!#1]S(=O)(=O)O[CH2][CH2]S(=O)(=O)[CH2][CH3]
[!#1]S(=O)(=O)O[CH3]
[!#1]S(=O)(=O)O[K]
[!#1]S(=O)(=O)O[Na]
[!#1]S[!#1]
[!#1]S[CH]([!#1])[!#1]
[!#1]S[CH]([!#1])[CH2]C(=O)[!#1]
[!#1]S[CH]([!#1])C(=O)[OH]
[!#1]S[CH]([NH]C(=O)[!#1])C(=O)[!#1]
[!#1]S[CH]([NH]C(=O)[!#1])C(Cl)(Cl)Cl
[!#1]S[CH2][CH2][CH2]S(=O)(=O)[OH]
[!#1]S[CH2][CH2][NH2]
[!#1]S[CH2][CH2][OH]
[!#1]S[CH2][CH2]C(F)(F)F
[!#1]S[CH2][CH2]S(=O)(=O)[!#1]
[!#1]S[CH2][CH2]S[!#1]
[!#1]S[CH2][CH2]SC(=[NH])[NH2]
[!#1]S[CH2][CH3]
[!#1]S[CH2][NH]C(=O)[!#1]
[!#1]S[CH2]C(=O)[!#1]
[!#1]S[CH2]C(=O)[CH3]
[!#1]S[CH2]C(=O)[NH]N=[CH][!#1]
[!#1]S[CH2]C(=O)[NH2]
[!#1]S[CH2]C(=O)[OH]
[!#1]S[CH2]C(=O)O[CH2][CH3]
[!#1]S[CH3]
[!#1]SC([CH3])([CH3])[CH3]
[!#1]SC(=[NH])[NH]N=[CH][!#1]
[!#1]SC(=[NH])[NH2]
[!#1]SC(=C(Cl)Cl)[NH]C(=O)[!#1]
[!#1]SC(=N[CH2][CH3])[NH][CH2][CH3]
[!#1]SC(=O)[!#1]
[!#1]SC(F)(F)C(F)(F)C(F)(F)F
[!#1]SC(F)(F)F
[!#1]S(c1[cH][cH][cH][cH][cH]1)
[!#1]S(c1[cH][cH]c([!#1])[cH][cH]1)
[!#1]S(c1nc2[cH][cH][cH][cH]c2s1)
[Na]OS(=O)=O
[O-][N+](=O)c1cc([N+](=O)[O-])c2ccccc2c1
[O-][N+](=O)c1cc(C=O)cc(c1)[N+](=O)[O-]
[O-][N+](=O)c1cc(C=O)ccc1Br
[O-][N+](=O)c1cc(C=O)ccc1Cl
[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)[N+](=O)[O-]
[O-][N+](=O)c1cc(ccc1Cl)S(=O)=O
[O-][N+](=O)c1cc(NC=O)ccc1Cl
[O-][N+](=O)c1cc2ccccc2oc1=O
[O-][N+](=O)c1cc2OCOc2cc1C=N
[O-][N+](=O)c1cc2OCOc2cc1C=NNC=O
[O-][N+](=O)c1ccc(C=N)cc1
[O-][N+](=O)c1ccc(C=N)s1
[O-][N+](=O)c1ccc(C=NNC=O)cc1
[O-][N+](=O)c1ccc(C=NNC=O)o1
[O-][N+](=O)c1ccc(C=O)c(C=O)c1
[O-][N+](=O)c1ccc(C=O)c(c1)[N+](=O)[O-]
[O-][N+](=O)c1ccc(C=O)cc1
[O-][N+](=O)c1ccc(cc1)C(=O)CCC(Cl)(Cl)Cl
[O-][N+](=O)c1ccc(cc1)C(=O)NN=Cc2ccccc2
[O-][N+](=O)c1ccc(cc1)N2CCNCC2
[O-][N+](=O)c1ccc(cc1)N2N=C(CC2=O)c3ccccc3
[O-][N+](=O)c1ccc(cc1)S(=O)=O
[O-][N+](=O)c1ccc(CCC=O)cc1
[O-][N+](=O)c1ccc(Cl)c(C=O)c1
[O-][N+](=O)c1ccc(Cl)cc1
[O-][N+](=O)c1ccc(NC(=S)NCC(Cl)(Cl)Cl)cc1
[O-][N+](=O)c1ccc(NC=O)cc1
[O-][N+](=O)c1ccc(NN=C(C=O)C=O)cc1
[O-][N+](=O)c1ccc2C(=O)NC(=O)c2c1
[O-][N+](=O)c1ccc2nc3c(cc2c1)[nH]c4ccccc43
[O-][N+](=O)c1ccc2nonc2c1
[O-][N+](=O)c1cccc(Br)c1
[O-][N+](=O)c1cccc(C=N)c1
[O-][N+](=O)c1cccc(C=NNC=O)c1
[O-][N+](=O)c1cccc(C=O)c1
[O-][N+](=O)c1cccc(C=O)c1C=O
[O-][N+](=O)c1cccc(c1)[N+](=O)[O-]
[O-][N+](=O)c1cccc(c1)C(F)(F)F
[O-][N+](=O)c1cccc(c1)S(=O)=O
[O-][N+](=O)c1cccc(Cl)c1
[O-][N+](=O)c1cccc(NC(=S)NCC(Cl)(Cl)Cl)c1
[O-][N+](=O)c1cccc(NC=O)c1
[O-][N+](=O)c1cccc(NS(=O)=O)c1
[O-][N+](=O)c1cccc2nonc12
[O-][N+](=O)c1cccc2nsnc12
[O-][N+](=O)c1ccccc1
[O-][N+](=O)c1ccccc1C=N
[O-][N+](=O)c1ccccc1C=NNC=O
[O-][N+](=O)c1ccccc1C=O
[O-][N+](=O)c1ccccc1Cl
[O-][N+](=O)c1ccccc1NC(=S)NCC(Cl)(Cl)Cl
[O-][N+](=O)c1ccccc1NC=O
[O-][N+](=O)c1ccccc1S(=O)=O
[O-][N+](=O)c1cn[nH]c1C=O
[O-][N+](=O)c1nc[nH]c1C=O
[O-][N+](=O)CCCl
[O-][N+](=O)NC(=N)NN=C
[O-][n+]1ccc(C=O)cc1
[O-][NH]=N
[O-][NH]=O
[OH]
Br
Brc1c[nH]nc1C=O
Brc1cc(Br)c2cccnc2c1
Brc1cc(Br)cc(Br)c1
Brc1cc2OCOc2cc1C=NNC=O
Brc1ccc(C=N)cc1
Brc1ccc(C=N)s1
Brc1ccc(C=NNC=O)cc1
Brc1ccc(C=NOC=O)cc1
Brc1ccc(C=O)c(C=O)c1
Brc1ccc(C=O)cc1
Brc1ccc(C=O)o1
Brc1ccc(cc1)N2C(=O)CCC2=O
Brc1ccc(cc1)S(=O)=O
Brc1ccc(NC=O)cc1
Brc1ccc(NS(=O)=O)cc1
Brc1cccc(Br)c1
Brc1cccc(C=O)c1
Brc1cccc2ccccc12
Brc1ccccc1
Brc1ccccc1C=O
Brc1ccccc1NC=O
Brc1cccnc1
Brc1ccco1
BrCCC=O
C
C#C
C#N
C(#Cc1ccccc1)c2ccccc2
C(c1ccccc1)c2ccccc2
C(c1nnn[nH]1)c2ccccc2
C(Cc1ccccc1)c2ccccc2
C(Cc1ccncc1)S(c2ccccc2)
C(NCc1ccccc1)c2ccccc2
C[N+](=O)[O-]
C[NH](C)C
C=C
C=C(C#N)C#N
C=C(NC=O)C=O
C=c1[nH]c(=O)c(=C)[nH]c1=O
C=C1C(=O)c2ccccc2C1=O
C=C1C(=O)N(N=C1c2ccccc2)c3ccccc3
C=C1C(=O)NC(=O)N(C1=O)c2cccc3ccccc23
C=C1C(=O)NC(=O)NC1=O
C=C1C(=O)OCOC1=O
C=C1C=NN(C1=O)c2ccccc2
C=C1CNCC(=C)C1=O
C=C1N=C(OC1=O)c2ccccc2
C=C1Nc2ccccc2C=C1
C=C1OC(=O)c2c1cc[nH]c2=O
C=C1SC(=N)NC1=O
C=C1SC(=O)NC1=O
C=C1SC(=S)N(C1=O)c2ccccc2
C=C1SC(=S)NC1=O
C=CC(=O)NC=S
C=CC(=O)NNC=O
C=CC=C1SC(=S)N(C1=O)c2ccccc2
C=CC=C1SC(=S)NC1=O
C=CC=N
C=CC=NNC=O
C=CC=O
C=CC1CN2CCC1CC2
C=CCNC=O
C=N
C=NC=NNC=O
C=NCCCCCCN=C
C=NCCN=C
C=NCCNC=O
C=NN=C
C=NNC(=O)C(=O)NN=C
C=NNC(=O)CC(=O)NN=C
C=NNC(=O)CNC=O
C=NNC=O
C=NNS(=O)=O
C=NOC=O
C=O
c1[nH]c2ccccc2[nH+]1
c1[nH]c2ccccc2c1c3ccccc3
c1[nH+]c2c(ccc3ccccc23)s1
c1[nH+]c2ccccc2o1
c1[nH+]c2ccccc2s1
C1C(N(N=C1c2ccccc2)c3ccccc3)c4ccccc4
c1c(nc2ccccn12)c3ccccc3
C1C(NN=C1c2ccccc2)c3ccccc3
c1c[nH]cn1
c1c[nH+]on1
C1C=NN(C1c2ccccc2)c3ccccc3
C1C=NNC1(c2ccccc2)c3ccccc3
C1C2CC3CC1CC(C2)(C3)c4ccccc4
C1C2CC3CC1CC(C2)(C3)c4cscn4
C1C2CC3CC1CC(C2)C3
C1C2CC3CC1CC(C2)CC3
C1C2CCCCC12
C1c2ccccc2-c3ccccc13
c1c2ccccc2n3cnc4ccccc4c13
C1c2ccccc2Oc3ccccc13
c1cc([nH]n1)c2ccccc2
C1CC(=NN1)c2ccccc2
C1CC(=NN1c2ccccc2)c3ccccc3
C1CC(CCN1)c2ccccc2
C1CC(CN1)c2ccccc2
c1cc(cs1)c2ccccc2
c1cc(n[nH]1)c2ccccc2
c1cc[n+]2cccnc2c1
c1cc[nH]c1
c1cc[nH+]cc1
C1CC=CC=C1
C1CC=CCN1
C1CC1
C1CC1(c2ccccc2)c3ccccc3
C1CC12CCC2
C1CC1C2CC2c3ccco3
C1CC1c2ccccc2
C1Cc2[nH]cnc2C(N1)c3ccccc3
C1Cc2c([nH]c3ccccc23)C(N1)c4ccccc4
C1Cc2c([nH]c3ccccc23)-c4cnn(c14)c5ccccc5
C1Cc2c(CN1)[nH]c3ccccc23
c1cc2c(n[nH]c(c3ccccc3)c2c1)c4ccccc4
c1cc2c[nH+]ccn2c1
C1CC2c3ccccc3C1c4ccccc24
C1CC2CC1C=C2
C1Cc2cc3CCCCc3nc2C1
C1Cc2cc3ccccc3nc2N1
C1Cc2cc3ccccc3nc2N1c4ccccc4
C1CC2CCC1C2
c1cc2ccc3ccccc3c2o1
C1CC2CCCC1N2
C1Cc2cccc3cccc1c23
c1cc2ccccc2[nH]1
C1Cc2ccccc2C(N1)c3ccccc3
C1Cc2ccccc2C3=NNC(C13)c4ccccc4
C1Cc2ccccc2CN1
C1Cc2ccccc2N1
c1cc2ccccc2n1c3ccccc3
C1Cc2ccccc2Nc3ccccc13
c1cc2ccccc2o1
c1cc2ccccc2s1
c1cc2cccnc2s1
C1CC2CNCCN2C1
c1cc2cncnc2s1
C1CC2Nc3ccccc3C2CN1
c1cc2nc3ccccc3nc2n1c4ccccc4
C1Cc2nccn2C1
C1CC2NCCn3c2c(C1)c4ccccc34
C1Cc2sc3ncncc3c2C1
C1CCC(C1)c2nnn[nH]2
c1ccc(cc1)C(c2ccccc2)c3ccccc3
c1ccc(cc1)C2(c3ccccc3-c4ccccc42)c5ccccc5
c1ccc(cc1)c2cc(nc(n2)c3ccccc3)c4ccccc4
c1ccc(cc1)c2cc(ncn2)c3ccccc3
C1CCC(CC1)c2ccc3[nH]c4CCCCc4c3c2
c1ccc(cc1)c2ccc3c(ccc4ccccc43)n2
c1ccc(cc1)c2ccc3ccccc3n2
c1ccc(cc1)c2cccc(n2)c3ccccc3
C1CCC(CC1)c2ccccc2
c1ccc(cc1)c2ccccn2
c1ccc(cc1)c2ccnc(n2)c3ccccc3
c1ccc(cc1)c2ccncn2
c1ccc(cc1)c2cnc3ccccc3n2
c1ccc(cc1)c2n[nH]c(n2)c3ccccc3
c1ccc(cc1)c2nc(c3ccccc3)c4ccccc4n2
c1ccc(cc1)c2nc3ccccc3[nH]2
c1ccc(cc1)c2nc3ccccc3nc2c4ccccc4
c1ccc(cc1)c2nc3ccccc3o2
c1ccc(cc1)c2nc3ccccc3s2
c1ccc(cc1)c2ncccn2
c1ccc(cc1)c2ncncn2
C1CCC(CC1)c2nnn[nH]2
C1CCC(CC1)c2nnnn2c3ccccc3
c1ccc(cc1)n2nc3ccccc3n2
C1CCC=CC1
C1CCC1
c1ccc2[nH]nnc2c1
c1ccc2[nH+]c3ccccc3nc2c1
c1ccc2[nH+]cccc2c1
c1ccc2c(c1)[nH]c3cc4ccccc4nc32
C1CCc2c(C1)[nH]c3ccc(cc23)c4ccccc4
C1CCc2c(C1)[nH]c3ccccc23
c1ccc2c(c1)[nH]c3ccccc32
c1ccc2c(c1)[nH]c3ncnnc23
C1CCc2c(C1)nc3ccccn23
c1ccc2c(c1)oc3ccccc32
C1CCc2c(C1)sc3ncncc23
C1CCC2C(NCCC2C1)c3ccccc3
c1ccc2c[nH+]ccc2c1
c1ccc2c3[nH]c4ccccc4c3[nH]c2c1
c1ccc2C3c4ccccc4C(c2c1)c5ccccc35
c1ccc2cc3ccccc3cc2c1
c1ccc2cc3ncccc3cc2c1
c1ccc2ccccc2c1
c1ccc2n[nH]nc2c1
c1ccc2nc3ccccc3cc2c1
c1ccc2nc3ccccc3nc2c1
c1ccc2ncccc2c1
c1ccc2nccnc2c1
c1ccc2ncncc2c1
c1ccc2nonc2c1
c1ccc2nsnc2c1
C1CCc2sccc2C1
C1CCCC1
C1CCCCC1
C1CCCCCC1
C1CCCCCCC1
C1CCCNCC1
c1ccn(c1)c2ccccc2
C1CCN(CC1)c2ncncn2
C1CCNC1
C1CCNCC1
c1ccnnc1
c1ccoc1
C1CCOCC1
c1ccsc1
C1CN(C(N1c2ccccc2)c3ccccc3)c4ccccc4
C1CN(CCN1)c2ccccc2
C1CN(CCN1)c2ccccn2
C1CN(CCO1)c2ccccc2
C1CN(CCO1)c2ncnc(n2)N3CCOCC3
C1CN(CCO1)c2ncncn2
c1cn(nc1c2ccccc2)c3ccccc3
c1cn[nH]c1
c1cn2c(n1)[nH]c3ccccc32
C1CN2CCC1CC2
C1Cn2cccc2C=[NH+]1
C1Cn2cccc2C=N1
C1Cn2cccc2CN1
c1cn2ccccc2n1
C1CNC(N1)c2ccccc2
C1CNc2ccccc2C1
c1cnc2nonc2n1
C1CNCCN1
c1cncnc1
c1cnn(c1)c2ccccc2
c1cnoc1
c1cnon1
c1coc(c1)c2ccccc2
C1COC(C1)n2cnc3cncnc23
C1COC(N1)c2ccccc2
C1COC=CO1
C1COC2(CCCCC2)O1
C1COC2C(C1)COc3ccccc23
C1COc2ccccc2O1
C1COCCN1
C1COCCO1
C1COCCOCCNCCOCCOCCN1
C1COCCOCCOCCOCCOCCN1
c1cocn1
C1COCO1
c1csc(c1)c2ccccc2
C1CSC(N1)c2ccccc2
c1csc[nH+]1
c1cscn1
c1n[nH]c2cccn[n+]12
c1n[nH+]c[nH]1
c1nc(cs1)c2ccccc2
c1nc(oc1c2ccccc2)c3ccccc3
c1nc[nH]n1
c1nc2ccccc2[nH]1
c1nc2ccccc2o1
c1nc2ccccc2s1
c1nc2cnccc2[nH]1
c1nc2cncnc2[nH]1
c1nc2nc(cc(c3ccccc3)n2n1)c4ccccc4
c1nc2ncccn2n1
c1nc2ncncc2[nH]1
c1ncc(s1)c2ccccc2
c1ncncn1
c1nnc[nH]1
c1nncn1c2ccccc2
c1nnco1
c1nncs1
c1nnn[nH]1
c1nnnn1c2ccccc2
C1Oc2ccccc2O1
CBr
CC
CC#C
CC#CC(O)(c1ccccc1)c2ccccc2
CC#CCCO
CC(=C)C(=O)N
CC(=N)C
CC(=N)CC=O
CC(=NN)C
CC(=NNC(=O)c1ccccc1)c2ccccc2
CC(=NNC(=O)c1ccccc1O)c2ccccc2
CC(=NNC(=O)CO)C
CC(=NNC(=O)CO)C=C
CC(=NNC(=O)CO)C=Cc1ccco1
CC(=NNC(=O)CO)c1ccc(Br)s1
CC(=NNC(=O)CO)c1cccs1
CC(=NNC=O)C
CC(=NNC=O)C(=O)O
CC(=NNC=O)C=C
CC(=NNC=O)C=Cc1ccccc1
CC(=NNC=O)c1cc(O)ccc1O
CC(=NNC=O)C1CC1
CC(=NNC=O)c1cc2ccc(O)cc2oc1=O
CC(=NNC=O)c1ccc(Br)cc1
CC(=NNC=O)c1ccc(cc1)[N+](=O)[O-]
CC(=NNC=O)c1ccc(cc1)c2ccccc2
CC(=NNC=O)c1ccc(Cl)s1
CC(=NNC=O)c1ccc(F)cc1
CC(=NNC=O)c1ccc(N)cc1
CC(=NNC=O)c1ccc(O)cc1
CC(=NNC=O)c1cccc(c1)[N+](=O)[O-]
CC(=NNC=O)c1cccc(N)c1
CC(=NNC=O)c1ccccc1
CC(=NNC=O)c1ccccc1O
CC(=NNC=O)c1ccco1
CC(=NNC=O)c1cccs1
CC(=NNC=O)CC(=O)N
CC(=NNC=O)CCC=C
CC(=NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c2ccccc2
CC(=NNc1ccccc1)c2ccccc2
CC(=NNc1ccccc1)CC=O
CC(=NO)c1ccccc1
CC(=NOC(=O)N)C
CC(=NOC=O)C(C)(C)C
CC(=NOC=O)c1ccccc1
CC(=O)C
CC(=O)C1(C(C=O)C(C=O)C2c3ccccc31)c4ccccc24
CC(=O)C1(CC2CC3CC(C2)C1)C3
CC(=O)c1c(C)[nH]c2ccc(O)cc12
CC(=O)c1c(C)[nH]c2ccccc12
CC(=O)c1c(C)cc(C)[nH]c1=O
CC(=O)c1c(O)cc(C)oc1=O
CC(=O)c1ccc(Br)cc1
CC(=O)c1ccc(C)cc1
CC(=O)c1ccc(cc1)c2ccccc2
CC(=O)c1ccc(Cl)c(Cl)c1
CC(=O)c1ccc(Cl)cc1
CC(=O)c1ccc(N)cc1
CC(=O)c1ccc(O)cc1
CC(=O)c1cccc(c1)[N+](=O)[O-]
CC(=O)c1ccccc1
CC(=O)c1ccccc1C(=O)C
CC(=O)c1ccccc1O
CC(=O)c1ccncc1
CC(=O)CC(=NNC=O)C
CC(=O)CC(=O)C
CC(=O)CC(=O)N
CC(=O)CC(C)(C)S(=O)=O
CC(=O)CC=O
CC(=O)CCS(=O)=O
CC(=O)CO
CC(=O)CS(=O)=O
CC(=O)N
CC(=O)n1ccc2ccccc12
CC(=O)N1CCOCC1
CC(=O)NC(=C)C(=O)N
CC(=O)NC(=Cc1ccccc1)C(=O)N
CC(=O)NC(N)C(Cl)(Cl)Cl
CC(=O)NC(NC(=S)N)C(Cl)(Cl)Cl
CC(=O)NCC(=O)N
CC(=O)NN
CC(=O)NN=C
CC(=O)NN=C(C)c1ccccc1
CC(=O)NN=C(C=O)c1cccc(Br)c1
CC(=O)NN=C(C=O)c1cccc(c1)[N+](=O)[O-]
CC(=O)NN=C1CCCc2c1non2=O
CC(=O)NN=Cc1c(Cl)cccc1Cl
CC(=O)NN=Cc1c(O)ccc2ccccc12
CC(=O)NN=Cc1c[nH]c2ccccc12
CC(=O)NN=Cc1cc(ccc1O)[N+](=O)[O-]
CC(=O)NN=Cc1cc(N=Nc2ccccc2)ccc1O
CC(=O)NN=Cc1cc2ccccc2nc1Cl
CC(=O)NN=Cc1cc2OCOc2cc1[N+](=O)[O-]
CC(=O)NN=Cc1ccc(Br)cc1
CC(=O)NN=Cc1ccc(cc1)[N+](=O)[O-]
CC(=O)NN=Cc1ccc(Cl)cc1
CC(=O)NN=Cc1ccc2OCOc2c1
CC(=O)NN=Cc1cccc(c1)[N+](=O)[O-]
CC(=O)NN=Cc1ccccc1
CC(=O)NN=Cc1ccccc1O
CC(=O)NN=Cc1ccco1
CC(=O)NN=Cc1cccs1
CC(=O)NNC=O
CC(=O)NO
CC(=O)NS(=O)=O
CC(=O)O
CC(=O)O[Na]
CC(=O)OC(=N)c1ccccc1
CC(=O)OCC=O
CC(=O)OCCNC=O
CC(Br)(Br)Br
CC(Br)C(=O)N
CC(C(C=O)C(C=O)C(C)c1ccccc1)c2ccccc2
CC(C)(C)C
CC(C)(C)C(=O)N
CC(C)(C)C(=O)NC(NC(=S)N)C(Cl)(Cl)Cl
CC(C)(C)C=O
CC(C)(C)c1cc(Br)cc(C=N)c1O
CC(C)(C)c1cc(C=N)cc(c1O)C(C)(C)C
CC(C)(C)c1cc(C=O)cc(c1)C(C)(C)C
CC(C)(C)c1ccc(C=O)cc1
CC(C)(C)c1ccc(cc1)S(=O)=O
CC(C)(C)c1ccc(O)c(c1)C(C)(C)C
CC(C)(C)c1ccc(O)cc1
CC(C)(C)c1cccc(c1)C(C)(C)C
CC(C)(C)c1cccc(c1O)C(C)(C)C
CC(C)(C)c1ccccc1
CC(C)(C)c1ncccc1O
CC(C)(C)CC=C
CC(C)(C)CC=Cc1ccc(Cl)cc1Cl
CC(C)(C)N
CC(C)(C)NC(NC=O)C(Cl)(Cl)Cl
CC(C)(C)NC=O
CC(C)(C)NCC(=O)N
CC(C)(C)NCC(O)CO
CC(C)(C)NS(=O)(=O)N
CC(C)(C)NS(=O)=O
CC(C)(C)O
CC(C)(C)OC=O
CC(C)(C)S
CC(C)(C)S(=O)=O
CC(C)(c1ccc(O)cc1)c2ccc(O)cc2
CC(C)(CCC(=O)N)C(=O)N
CC(C)(CCC=O)C=O
CC(C)(N)CO
CC(C)(O)C#C
CC(C)C
CC(C)C(=O)NC(NC(=S)N)C(Cl)(Cl)Cl
CC(C)C(N)C(=O)O
CC(C)C(NC(=S)SCC=O)C(=O)O
CC(C)C(NC=O)C(=O)O
CC(C)C(NS(=O)=O)C(=O)O
CC(C)C=O
CC(C)c1cc(C(C)C)c(S(=O)=O)c(c1)C(C)C
CC(C)c1cc(cc(c1)C(C)C)C(C)C
CC(C)c1ccc(C)c(O)c1
CC(C)c1ccc(C)cc1
CC(C)C1CCC(C)CC1O
CC(C)c1ccc(O)cc1
CC(C)c1ccccc1
CC(C)c1nnn[nH]1
CC(C)CC(=NNC=O)C
CC(C)CC(=O)N
CC(C)CC(=O)NC(NC(=S)N)C(Cl)(Cl)Cl
CC(C)CC(=O)O
CC(C)CC(C)(C)C
CC(C)CC(C)O
CC(C)CC=O
CC(C)Cc1ccc(cc1)C(C)C=O
CC(C)CCC(=O)O
CC(C)CCC=O
CC(C)CCCC(C)C
CC(C)CCO
CC(C)CN
CC(C)CN(CC(C)C)S(=O)=O
CC(C)CNC=O
CC(C)CO
CC(C)COC=O
CC(C)COP(=O)(N)OCC(C)C
CC(C)N
CC(C)N(C=O)C(C)C
CC(C)NC=O
CC(C)NCC(=O)N
CC(C)NCC(O)CO
CC(C)NS(=O)=O
CC(C)O
CC(C)OC(=O)N
CC(C)OC=O
CC(C)OP(=O)(N)OC(C)C
CC(CC=O)c1ccccc1
CC(Cl)(Cl)Cl
CC(N)C(=O)O
CC(N)c1ccccc1
CC(NC(=O)CO)C(=O)O
CC(NC(=O)OC(C)(C)C)C(=O)O
CC(NC=O)C(=O)N
CC(NC=O)C(=O)O
CC(NS(=O)=O)C(=O)O
CC(O)C(=O)NN
CC(O)C(=O)NN=C
CC(O)C(=O)NN=Cc1cc(ccc1O)[N+](=O)[O-]
CC(O)C(=O)NN=Cc1ccccc1
CC(O)C(=O)O
CC(O)C(O)C(O)C(C)O
CC(O)C(O)C(O)C(O)CO
CC(O)C(O)C(O)CO
CC(O)c1ccc(cc1)[N+](=O)[O-]
CC(O)c1ccccc1
CC(O)CBr
CC(O)CCC(=O)NN=C
CC(O)CCl
CC(O)CN
CC(O)CN(C)C
CC(O)CO
CC(OC=O)C(=C(Cl)Cl)Cl
CC[n+]1c(C)oc2ccccc12
CC[n+]1c2ccccc2nc3ccccc13
CC=C
CC=CC(=O)C
CC=CC(=O)N
CC=N
CC=NN
CC=NN=CC
CC=NNC(=O)C
CC=NNC(=O)CO
CC=NNC(=O)N
CC=NNC(=S)N
CC=NNC=O
CC=NNS(=O)=O
CC=NO
CC=NOC=O
CC=NOCON=CC
CC=O
CC1(C)C(CCC1(C)C(=O)O)C(=O)N
CC1(C)C(CCC1(C)C(=O)O)C=O
CC1(C)C2CCC1(C)C(=O)C2
CC1(C)CC(=CC(=O)C1)O
CC1(C)CC(=O)c2cc3ccccc3nc2C1
CC1(C)CC(=O)c2cncnc2C1
CC1(C)CC(=O)CC(=NNC=O)C1
CC1(C)CC(=O)CC(=O)C1
CC1(C)CC(=O)CC(=O)C1C=O
CC1(C)CC(O)c2cc3ccccc3nc2C1
CC1(C)CC=CC(=O)C1
CC1(C)CC1
CC1(C)CC1C=O
CC1(C)CCCC(C)(C)N1
CC1(C)CCCC1(C)C(=O)O
CC1(C)CN(C(=O)N1)c2cccc3ccccc23
CC1(C)OC(=O)CC(=O)O1
CC1(CC2CC3CC(C2)C1)C3
CC1(O)CCCCC1
Cc1[nH][nH]c(=O)c1C=N
Cc1[nH]c2ccc(C=O)cc2c1C
Cc1[nH]c2ccc(O)cc2c1C=O
Cc1[nH]c2ccccc2c1C
CC1=CC(NC(=O)N1)c2ccccc2
CC1=NN(C(=O)C1)c2c(F)c(F)c(F)c(F)c2F
CC1=NN(C(=O)C1)c2ccc(cc2)[N+](=O)[O-]
CC1C(=O)c2ccccc2C1=O
CC1C(=O)CC(C)(C)CC1=O
CC1C(C=O)C(C=O)C(C)C(C=O)C1C=O
Cc1c(C=O)oc2c(O)cccc12
Cc1c(cc(C=O)cc1[N+](=O)[O-])[N+](=O)[O-]
Cc1c(cc(cc1[N+](=O)[O-])C(=O)N)[N+](=O)[O-]
Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Cc1c(O)ccc2ccccc12
Cc1c[nH]c2ccccc12
Cc1cc(=O)[nH][nH]1
Cc1cc(=O)c2ccc(O)cc2o1
Cc1cc(=O)c2ccccc2o1
Cc1cc(=O)n(c2ccccc2)n1C
Cc1cc(=O)oc2cc(O)ccc12
Cc1cc(=O)oc2ccccc12
Cc1cc(Br)cc(Br)c1O
Cc1cc(Br)cc(C(=O)O)c1O
Cc1cc(Br)cc(C)c1O
Cc1cc(C)[nH]c(=O)n1
Cc1cc(C)[nH]n1
Cc1cc(C)c(C)c(C)c1C
Cc1cc(C)c(C=NO)c(C)c1
CC1CC(C)C(C=O)C1C=O
CC1CC(C)C(C1C=O)C(=O)O
Cc1cc(C)c(O)c(n1)C(C)(C)C
Cc1cc(C)c(O)cn1
Cc1cc(C)c(S(=O)=O)c(C)c1
Cc1cc(C)cc(Br)c1
Cc1cc(C)cc(C)c1
Cc1cc(C)n2ncnc2n1
Cc1cc(C)nc(N)n1
Cc1cc(C)nc(NC=O)n1
Cc1cc(C)nc(NS(=O)=O)n1
Cc1cc(C)ncn1
Cc1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Cc1cc(ccc1O)[N+](=O)[O-]
Cc1cc(CO)c(C=O)c(=O)[nH]1
Cc1cc(O)c2[nH]nc[n+]2n1
Cc1cc(O)cc(O)c1
Cc1cc[nH]n1
Cc1cc2cc(ccc2[nH]1)[N+](=O)[O-]
Cc1cc2ccccc2[nH]1
Cc1cc2ccccc2n1C
Cc1ccc(Br)cc1
Cc1ccc(Br)s1
Cc1ccc(C)[nH]1
Cc1ccc(C)c(C)c1
Cc1ccc(C)cc1
Cc1ccc(C)n1c2ccccc2
Cc1ccc(C)o1
Cc1ccc(C=N)o1
Cc1ccc(C=NNC=O)o1
Cc1ccc(C=O)cc1
Cc1ccc(C=O)cc1S(=O)=O
Cc1ccc(cc1)[N+](=O)[O-]
Cc1ccc(cc1)C(=O)O
Cc1ccc(cc1)C(F)(F)F
Cc1ccc(cc1)C2(CC2C=O)c3ccc(C)cc3
Cc1ccc(cc1)c2ccccc2
Cc1ccc(cc1)S(=O)(=O)C
Cc1ccc(cc1)S(=O)(=O)N
Cc1ccc(cc1)S(=O)=O
Cc1ccc(cc1[N+](=O)[O-])S(=O)=O
Cc1ccc(CCC=O)o1
Cc1ccc(Cl)cc1
Cc1ccc(Cl)cc1Cl
Cc1ccc(F)cc1
Cc1ccc(F)cc1F
Cc1ccc(N)cc1
Cc1ccc(NC(=S)NCC(Cl)(Cl)Cl)cc1
Cc1ccc(NC(=S)SCC=O)cc1
Cc1ccc(NC=O)cc1
Cc1ccc(O)c(C)c1
Cc1ccc(O)c(C)n1
Cc1ccc(O)c(C=NNC=O)c1
Cc1ccc(O)c(c1)[N+](=O)[O-]
Cc1ccc(O)c(CCc2ccccc2)n1
Cc1ccc(O)c(O)c1
Cc1ccc(O)cc1
Cc1ccc(O)cc1C
Cc1ccc(O)cn1
Cc1ccc(o1)[N+](=O)[O-]
Cc1ccc[nH]1
Cc1ccc[nH]c1=N
Cc1ccc2[nH]c3C(=O)CCCc3c2c1
Cc1ccc2[nH]c3CCCCc3c2c1
Cc1ccc2ccccc2c1
Cc1ccc2ccccc2n1
Cc1ccc2n3CCNC4CCCc(c43)c2c1
Cc1ccc2ncsc2c1
Cc1ccc2OCOc2c1
Cc1cccc(Br)c1
Cc1cccc(C)c1
Cc1cccc(C)c1Cl
Cc1cccc(C)c1n2cnnn2
Cc1cccc(C)c1NC=O
Cc1cccc(C)n1
Cc1cccc(C=O)c1
Cc1cccc(c1)[N+](=O)[O-]
Cc1cccc(c1)C(=O)N
Cc1cccc(c1)C(=O)O
Cc1cccc(c1)C(C)(C)C
Cc1cccc(c1)c2cccc(C)c2
Cc1cccc(Cl)c1
Cc1cccc(F)c1
Cc1cccc(N)c1
Cc1cccc(N=Nc2ccccc2C)c1
Cc1cccc(NC(=S)NCC(Cl)(Cl)Cl)c1
Cc1cccc(NC=O)c1
Cc1cccc(O)c1
Cc1cccc2ccccc12
CC1CCCCC1
Cc1ccccc1[N+](=O)[O-]
Cc1ccccc1Br
Cc1ccccc1C
Cc1ccccc1C(F)(F)F
Cc1ccccc1C=O
Cc1ccccc1Cl
Cc1ccccc1F
Cc1ccccc1I
Cc1ccccc1N
Cc1ccccc1N=Nc2ccc(NC(=S)NCC(Cl)(Cl)Cl)c(C)c2
Cc1ccccc1NC(=S)NCC(Cl)(Cl)Cl
Cc1ccccc1NS(=O)=O
Cc1ccccc1O
Cc1ccccc1S(=O)(=O)O
Cc1ccccn1
Cc1cccnc1
Cc1ccco1
Cc1cccs1
Cc1ccn[nH]1
Cc1ccnc(C)c1
Cc1ccnc(N)c1
Cc1ccnc2ccc3ccccc3c12
Cc1ccncc1
Cc1ccncn1
Cc1ccoc1
Cc1ccsc1
Cc1ccsc1C
Cc1ccsc1C=N
CC1COC2(CCCCC2)O1
Cc1csc[nH+]1
Cc1csc2CCCCc12
Cc1cscn1
Cc1n[nH]cc1[N+](=O)[O-]
Cc1nc2ccccc2[nH]1
Cc1nc2ccccc2c(=O)[nH]1
Cc1nc2ccccc2c3cc4ccccc4n13
Cc1nc2ccccc2s1
Cc1ncc([nH]1)[N+](=O)[O-]
Cc1ncc[nH]1
Cc1ncc2c3CCCCc3sc2n1
Cc1nncs1
CC1OCC(O)C(O)C1O
CC1OCCO1
Cc1sc2ccccc2[n+]1CCCS(=O)(=O)O
Cc1sc2ncncc2c1C
Cc1scc(C=O)c1C
CCC
CCC#N
CCC(=NNC(=S)N)CC
CCC(=O)C
CCC(=O)C1(CC2CC3CC(C2)C1)C3
CCC(=O)c1ccccc1
CCC(=O)CC
CCC(=O)N
CCC(=O)NC
CCC(=O)NC(C)C
CCC(=O)NC(NC(=S)N)C(Cl)(Cl)Cl
CCC(=O)NN
CCC(=O)NN=C
CCC(=O)NNC=O
CCC(=O)O
CCC(=O)OC
CCC(=O)OCC=O
CCC(C)(C)C
CCC(C)(C)CC(=O)C
CCC(C)C
CCC(C)CC
CCC(C)N
CCC(C)NC=O
CCC(C=O)C(CC)C=O
CCC(CC)(C=O)C=O
CCC(CC)Cc1ccccc1
CCC(CCC(O)c1ccnc2ccccc12)C(C)C
CCC(N)C(=O)O
CCC=C(C)C
CCC=NNC=O
CCC=NO
CCC=O
CCC1(CC2CC3CC(C2)C1)C3
CCC1C(C=O)C(C=O)C(C)(CC=O)C(C=O)C1C=O
CCc1c[nH]c2ccc(O)cc12
CCc1c[nH]c2ccccc12
CCC1CC1
CCc1cc2c(=O)ccoc2cc1O
CCc1ccc(C)nc1
CCc1ccc(cc1)c2nc3ccccc3o2
CCc1ccc(O)c(O)c1
CCc1ccc(O)cc1
CCc1ccccc1
CCC1CCCCN1
CCc1cnc2ccc(Br)cc2c1
CCc1cnc2ccccc2c1
CCc1nc(C)ccc1O
CCc1nc2ccccc2[nH]1
CCc1nc2ccccc2cc1C
CCc1ncccc1O
CCc1nnc(N)s1
CCc1nncs1
CCCC
CCCC(=O)N
CCCC(=O)NC(N)C(Cl)(Cl)Cl
CCCC(=O)NC(NC(=S)N)C(Cl)(Cl)Cl
CCCC(=O)NS(=O)=O
CCCC(=O)O
CCCC(CCC)C(=O)N
CCCC(O)CO
CCCC=NNC=O
CCCC=O
CCCc1c[nH]c2ccccc12
CCCc1ccc(O)cc1
CCCc1ccccc1
CCCc1nc2ccccc2cc1CC
CCCCC
CCCCC(=O)N
CCCCC(=O)O
CCCCC=O
CCCCc1ccccc1
CCCCc1nc2ccccc2cc1CCC
CCCCCC
CCCCCC(=O)N
CCCCCC(=O)NC(NC(=S)N)C(Cl)(Cl)Cl
CCCCCC(=O)NN=C
CCCCCC(=O)O
CCCCCC(C)NC=O
CCCCCC=O
CCCCCCC
CCCCCCC(=O)NC(NC(=S)N)C(Cl)(Cl)Cl
CCCCCCC=O
CCCCCCCC
CCCCCCCC(=O)NN=C
CCCCCCCC(=O)NNC=O
CCCCCCCC=O
CCCCCCNC=O
CCCCCCO
CCCCCCOC=O
CCCCCN
CCCCCO
CCCCCOC=O
CCCCl
CCCCN
CCCCN(CCCC)CC(=O)N
CCCCNC=O
CCCCNS(=O)=O
CCCCO
CCCCOC=O
CCCCS
CCCN
CCCN(C)C
CCCNC=O
CCCNS(=O)=O
CCCO
CCCOC(=O)CO
CCCOC=O
CCCS(=O)(=O)O
CCCS(=O)(=O)O[Na]
CCl
CCN
CCN(C)C
CCN(C)CC
CCN(C)CC(=O)N
CCN(CC(O)CO)S(=O)(=O)O
CCN(CC)C(=S)N
CCN(CC)C=O
CCN(CC)CC
CCN(CC)CC(=O)N
CCN(CC)CC(C)O
CCN(CC)CC=O
CCN(CC)CCC=O
CCN(CC)CCCC(C)N
CCN(CC)CCN
CCN(CC)CCNC=O
CCN(CC)CCOC=O
CCN(CC)S(=O)=O
CCN(CCO)C=O
CCN=C
CCN1C(=O)c2cccc3cccc1c23
CCN1C(=O)c2ccccc2C1=O
CCn1c2ccccc2c3cc(C=NNC=O)ccc13
CCN1CCOCC1
CCNC
CCNC(=NCC)S
CCNC(=O)C
CCNC(=O)C=C
CCNC(=O)CC
CCNC(=O)CO
CCNC(=O)N
CCNC(=S)NC(CC=O)c1ccccc1
CCNC=O
CCNCC
CCNCC(=O)N
CCNCC(O)CO
CCNCC=O
CCNCCO
CCNS(=O)=O
CCO
CCOC
CCOC(=O)C
CCOC(=O)C(=C)C#N
CCOC(=O)C(C)NC(=O)C
CCOC(=O)C(C)NC=O
CCOC(=O)C=CC
CCOC(=O)CC
CCOC(=O)CC(=O)N
CCOC(=O)CC(=O)OCC
CCOC(=O)CC=O
CCOC(=O)CCC(=O)N
CCOC(=O)CN
CCOC(=O)CNC=O
CCOC(=O)CS
CCOC(=O)N
CCOC(=O)NC(N)C(Cl)(Cl)Cl
CCOC(=O)NN=C
CCOC=O
CCOP(=O)(CN)OCC
CCOP(=O)(N)OCC
CCS
CCS(=O)(=O)C(=C(N)N)S(=O)(=O)CC
CCS(=O)(=O)CCC(=O)N
CCS(=O)(=O)CCC=O
CCS(=O)(=O)O
CCS(=O)=O
CCS=O
CCSC
CCSC(=N)N
CCSC(C)C
CCSC=S
CCSCC
Cl
ClC(=C(Cl)COC=O)Cl
ClC(=C)Cl
ClC(Cl)(Cl)C=O
ClC(Cl)(Cl)CNC(=S)Nc1ccc(cc1)S(=O)=O
ClC(Cl)(Cl)CNC(=S)Nc1ccc(N=Nc2ccccc2)cc1
ClC(Cl)(Cl)CNC(=S)Nc1cccc2ccccc12
ClC(Cl)(Cl)CNC(=S)Nc1cccc2cccnc12
ClC(Cl)(Cl)CNC(=S)Nc1ccccc1
ClC(Cl)(Cl)CNC(=S)Nc1ccccc1C=O
ClC(Cl)(Cl)CNC(=S)Nc1sc2CCCCc2c1C=O
ClC(Cl)(Cl)CNC=O
ClC(Cl)(Cl)CNS(=O)=O
ClC(Cl)Cl
Clc1c(C=O)sc2ccccc12
Clc1cc(Cl)cc(C=O)c1
Clc1cc(Cl)cc(Cl)c1
Clc1ccc(C=C2SC(=S)NC2=O)cc1
Clc1ccc(C=N)c(Cl)c1
Clc1ccc(C=N)cc1
Clc1ccc(C=NNC=O)c(Cl)c1
Clc1ccc(C=NNC=O)cc1
Clc1ccc(C=O)c(Cl)c1
Clc1ccc(C=O)cc1
Clc1ccc(C=O)cc1Cl
Clc1ccc(cc1)N2C(=O)CCC2=O
Clc1ccc(cc1)N2CCNCC2
Clc1ccc(cc1)S(=O)(=O)c2cccc(c2)S(=O)=O
Clc1ccc(cc1)S(=O)=O
Clc1ccc(cc1Cl)S(=O)(=O)c2cccc(c2)S(=O)=O
Clc1ccc(cc1Cl)S(=O)=O
Clc1ccc(Cl)c(Cl)c1
Clc1ccc(Cl)c(NC(=S)NCC(Cl)(Cl)Cl)c1
Clc1ccc(Cl)c(NC=O)c1
Clc1ccc(Cl)cc1
Clc1ccc(NC=O)c(Cl)c1
Clc1ccc(NC=O)cc1
Clc1ccc(NC=O)cc1Cl
Clc1ccc(NS(=O)=O)cc1
Clc1ccc2[nH]c3ccc(Cl)cc3c2c1
Clc1ccc2ocnc2c1
Clc1cccc(Br)c1
Clc1cccc(C=N)c1
Clc1cccc(C=O)c1
Clc1cccc(c1)N2C(=O)CCC2=O
Clc1cccc(Cl)c1
Clc1cccc(NC=O)c1
Clc1cccc2ccccc12
Clc1ccccc1
Clc1ccccc1Br
Clc1ccccc1C=NNC=O
Clc1ccccc1C=O
Clc1ccccc1Cl
Clc1ccccc1NC=O
Clc1ccccc1S(=O)=O
Clc1cccnc1
Clc1csc2ccccc12
Clc1ncnc(Cl)n1
Clc1ncncn1
ClCC=O
ClCCl
CN
CN(C(=O)CCC(=O)O)C(C)(C)C
CN(C)C
CN(C)C(=N)C
CN(C)C(=N)NC(=N)N
CN(C)C(=O)N
CN(C)C=N
CN(C)C=O
CN(C)c1ccc(C=NNC=O)cc1
CN(C)c1ccc2ccccc2n1
CN(C)c1ccccc1
CN(C)CC(=O)N
CN(C)CC=O
CN(C)CCC=O
CN(C)CCCNC(=O)C(=C)NC=O
CN(C)CCCNC=O
CN(C)CCCOC=O
CN(C)CCOC=O
CN(C)N1C(=O)CCC1=O
CN(C)S(=O)=O
CN(C=O)C(C)(C)C
CN(C=O)c1ccc(I)cc1
CN(CC(O)CO)S(=O)(=O)O
CN(CCO)CCO
CN(S(=O)=O)C(C)(C)C
CN=C
CN=c1cc[nH]cc1
CN1C(=O)C(=NNC(=O)CO)c2cc(Br)ccc12
CN1C(=O)c2ccccc2C1=O
CN1C2CCC1CCC2
Cn1cc(Br)c(n1)C(=O)N
CN1CCc2cc3ccccc3nc12
CN1CCCC1
CN1CCCCC1
Cn1cccn1
CN1CCN(CC1)c2ccc(Cl)cc2
CN1CCN(CC1)c2ccc(F)cc2
CN1CCN(CC1)c2ccccc2
CN1CCN(CC1)c2ccccn2
CN1CCNCC1
CN1CCOCC1
Cn1cnc(c1)[N+](=O)[O-]
Cn1ncc([N+](=O)[O-])c1C(=O)N
Cn1nnc2ccccc12
CNC
CNC(=N)NC(=N)N
CNC(=O)C
CNC(=O)C(=C)NC=O
CNC(=O)CCC(=O)O
CNC(=O)CCl
CNC(=O)CO
CNC(=O)N
CNC(=O)O
CNC(=S)NC
CNC(C)(C)C
CNC(C)C
CNC(C)C(=O)O
CNC(NC=O)C(Cl)(Cl)Cl
CNC=C
CNC=C1C(=O)NC(=O)NC1=O
CNC=O
CNc1ccccc1
CNc1ncncn1
CNCC(=O)N
CNCC(C)O
CNCC(O)CO
CNCCO
CNN
CNN=C
CNN=C1c2n[nH]nc2C(=NNC)c3n[nH]nc13
CNn1cnnc1
CNNC(=O)C
CNS(=O)(=O)NC(=O)N
CNS(=O)=O
CO
COC
COC(=N)c1ccc(C)cc1
COC(=O)C
COC(=O)C(C)NC(=O)CO
COC(=O)C(C)NC=O
COC(=O)C(O)C(F)(F)F
COC(=O)CCC(=O)N
COC(=O)CCC(=O)O
COC(=O)CCS(=O)=O
COC(=O)CN
COC(=O)CO
COC(=O)N
COC(=O)O
COC=NC(NC(=S)N)C(Cl)(Cl)Cl
COC=O
COc1c(Cl)cc(Cl)cc1C=NNC=O
COc1cc(C=NNC=O)ccc1O
COc1cc(cc(OC)c1OC)C(=O)N
COc1cc(N)nc(OC)n1
COc1ccc(C(=NNC=O)C)c(OC)c1
COc1ccc(C=C2SC(=S)NC2=O)cc1
COc1ccc(C=CC(=O)NC(=S)N)cc1OC
COc1ccc(C=NNC(=O)CO)cc1[N+](=O)[O-]
COc1ccc(C=NNC=O)c(OC)c1
COc1ccc(C=NNC=O)cc1
COc1ccc(C=NNC=O)cc1OC
COc1ccc(cc1)[N+](=O)[O-]
COc1ccc(cc1)C(=NNC=O)C
COc1ccc(cc1)C(=O)N
COc1ccc(cc1)N2C(=O)CCC2=O
COc1ccc(Cl)cc1Cl
COc1ccc(N)nn1
COc1ccc(OC)cc1
COc1ccc2[nH]ccc2c1
COc1ccc2ccccc2c1
COc1ccc2ccccc2c1C=NNC(=O)CO
COc1ccc2sc(C)[nH+]c2c1
COc1cccc(Br)c1
COc1cccc(C=NNC(=O)CO)c1
COc1cccc(c1)[N+](=O)[O-]
COc1cccc(c1)C(=O)O
COc1cccc(OC)c1
COc1cccc(OC)c1OC
COc1ccccc1
COc1ccccc1C=NNC(=O)CO
COc1ccccc1C=NNC=O
COc1ccccc1Cl
COc1ccccc1N2CCNCC2
COc1ccccc1O
COc1ccccc1OC
COc1cccnn1
COc1ccnc(OC)n1
COc1cnccn1
COc1nc(C)nc(NC=O)n1
COc1nccnc1N
COc1ncnc(C)n1
COc1ncnc(OC)n1
COc1ncncn1
COCC(C)O
COCC(O)CNC(C)C
COP(=O)(CN)OC
COS(=O)=O
CS
CS(=O)(=O)c1ccccc1
CS(=O)(=O)N
CS(=O)(=O)O
CS(=O)=O
CSC(=N)N
CSC(=S)NN=C
CS(c1ccc(C)cc1)
CS(c1ccc(O)cc1)
CS(c1ccccc1)
CS(c1nc2ccccc2[nH]1)
CSCC(=O)NN=C
CSCCCC(=O)O
F
FC(F)(C=O)C1(F)OC(F)(F)C(F)(F)C1(F)F
FC(F)(F)C(F)(F)C(F)(F)OC(F)(C=O)C(F)(F)F
FC(F)(F)C(F)(F)C(F)(F)S
FC(F)(F)C(F)(F)C=O
FC(F)(F)C(Oc1ncnc(OC(C(F)(F)F)C(F)(F)F)n1)C(F)(F)F
FC(F)(F)C(Oc1ncncn1)C(F)(F)F
FC(F)(F)C=O
FC(F)(F)c1ccc(Cl)c(NC(=S)NCC(Cl)(Cl)Cl)c1
FC(F)(F)c1ccc(Cl)cc1
FC(F)(F)c1ccc(S(c2ccccc2))cc1
FC(F)(F)c1ccc2S(c3ccccc3Nc2c1)
FC(F)(F)c1cccc(c1)S(=O)=O
FC(F)(F)c1cccc(NC=O)c1
FC(F)(F)c1ccccc1
FC(F)(F)CCS
FC(F)(F)COc1ncncn1
FC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C=O
FC(F)(F)S
FC(F)(F)S(=O)=O
FC(F)C(F)F
FC(F)F
Fc1cc(F)c(F)c(F)c1F
Fc1cc(F)c(F)cc1F
Fc1ccc(C=C2SC(=S)NC2=O)cc1
Fc1ccc(C=NNC=O)cc1
Fc1ccc(C=O)c(C=O)c1
Fc1ccc(C=O)cc1
Fc1ccc(C=O)cc1F
Fc1ccc(cc1)N2CCNCC2
Fc1ccc(NC=O)cc1
Fc1ccc2c(Cl)csc2c1
Fc1cccc(C=O)c1
Fc1cccc(F)c1
Fc1cccc(F)c1C=O
Fc1ccccc1
Fc1ccccc1C=N
Fc1ccccc1C=NNC=O
Fc1ccccc1C=O
Fc1ccccc1Cl
FC1OC(F)(F)C(F)(F)C1(F)F
FCC=O
I
Ic1ccc(NC=O)cc1
Ic1cccc(C=O)c1
Ic1ccccc1
Ic1ccccc1C=O
Ic1cn[nH]c1
N
N#Cc1ccccc1
N#CCC#N
N(=Nc1ccccc1)c2ccccc2
N(=Nc1ccccc1)c2nc3ccccc3s2
N(N=Cc1ccco1)c2ncncn2
N=[N+]=[N-]
N=C(C=O)c1ccccc1
N=C(c1ccccc1)c2ccccc2
N=C(Nc1ccccc1)SCC=O
N=c1[nH]c(cs1)c2ccccc2
N=c1[nH]c2ccccc2[nH]1
N=c1[nH]c2CCCCc2s1
N=c1[nH]ccs1
N=C1C(=O)Nc2ccccc12
N=c1c2CCCc2[nH]c3ccccc13
N=C1CC(=O)c2ccccc12
N=C1CC(=O)NC(=O)N1
N=c1cc[nH]c2ccccc12
N=c1cc[nH]cc1
N=c1cccc[nH]1
N=C1CCCc2ccccc2N1
N=C1NC(=O)CS1
N=c1nccc[nH]1
N=c1ncccn1CC=O
N=Cc1c[nH]c2ccccc12
N=Cc1c2ccccc2cc3ccccc13
N=Cc1ccc(C#Cc2ccccc2)cc1
N=Cc1ccc(C=N)cc1
N=Cc1ccc[nH]1
N=Cc1ccc2[nH]c3ccccc3c2c1
N=Cc1ccc2OCOc2c1
N=Cc1cccc2ccccc12
N=Cc1ccccc1
N=Cc1cccnc1
N=Cc1ccco1
N=N
N=O
N1C(Nc2ccccc12)c3ccccc3
N1C=CC2C=CC=CC12
N1c2ccccc2C=Cc3ccccc13
N1c2ccccc2S(c3ccccc13)
NC(=N)N
NC(=N)NC(=N)N
NC(=N)NC(=O)N
NC(=N)NCCCC(NC=O)C(=O)N
NC(=N)NN=C
NC(=N)S
NC(=N)SCC=O
NC(=Nc1ccccc1)S
NC(=O)C(=C)C#N
NC(=O)C(=O)NN=C1C(=O)Nc2ccccc12
NC(=O)C(C(C(=O)O)C(=O)O)C(=O)O
NC(=O)C(C=O)S(=O)=O
NC(=O)C(Cl)(Cl)Cl
NC(=O)C(F)(F)C(F)(F)F
NC(=O)C(F)(F)F
NC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
NC(=O)C=C
NC(=O)C=CC(=O)O
NC(=O)C=Cc1cccc(c1)[N+](=O)[O-]
NC(=O)C=Cc1ccccc1
NC(=O)C1(CC2CC3CC(C2)C1)C3
NC(=O)C1C(C2CC1C=C2)C(=O)O
NC(=O)c1c(cccc1[N+](=O)[O-])C(=O)O
NC(=O)C1C2CCCCC12
NC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
NC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
NC(=O)C1CC1(c2ccccc2)c3ccccc3
NC(=O)C1CC1c2ccccc2
NC(=O)C1CC21CCC2
NC(=O)c1cc2ccccc2oc1=O
NC(=O)c1ccc(Br)cc1
NC(=O)c1ccc(Br)o1
NC(=O)c1ccc(cc1)[N+](=O)[O-]
NC(=O)c1ccc(cc1)c2ccccc2
NC(=O)c1ccc(cc1)N2C(=O)c3ccccc3C2=O
NC(=O)c1ccc(cc1C(=O)O)[N+](=O)[O-]
NC(=O)c1ccc(Cl)cc1
NC(=O)c1ccc(Cl)cc1Cl
NC(=O)c1ccc(F)c(F)c1
NC(=O)c1ccc(F)cc1
NC(=O)c1ccc(N)cc1
NC(=O)C1CCC=CC1
NC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3ccccc3
NC(=O)c1cccc(Br)c1
NC(=O)c1cccc(c1)[N+](=O)[O-]
NC(=O)c1cccc2ccccc12
NC(=O)C1CCCCC1
NC(=O)c1ccccc1[N+](=O)[O-]
NC(=O)c1ccccc1Br
NC(=O)c1ccccc1C(=O)O
NC(=O)c1ccccc1Cl
NC(=O)c1ccccc1F
NC(=O)c1cccnc1
NC(=O)c1ccco1
NC(=O)c1cccs1
NC(=O)c1ccncc1
NC(=O)c1csc2CCCCc12
NC(=O)c1nccnc1C(=O)O
NC(=O)CC(=O)N
NC(=O)CC=O
NC(=O)CCC(=O)O
NC(=O)CCC(=O)OCC(=C(Cl)Cl)Cl
NC(=O)CCCC(=O)O
NC(=O)CCCC(=O)OCC#C
NC(=O)CCCCCCC(=O)N
NC(=O)CCCO
NC(=O)CCl
NC(=O)CCNC(=O)C(F)(F)F
NC(=O)CO
NC(=O)CS
NC(=O)N
NC(=O)NC(=O)C(Cl)(Cl)Cl
NC(=O)NC(=O)N
NC(=O)NC(CC=O)C(Cl)(Cl)Cl
NC(=O)NC=O
NC(=O)NN=C
NC(=O)NN=C1C(=O)Nc2ccccc12
NC(=O)NN=Cc1ccccc1
NC(=O)NNC=O
NC(=O)NO
NC(=O)NS(=O)(=O)N
NC(=O)NS(=O)=O
NC(=O)O
NC(=O)OCCNS(=O)=O
NC(=O)ON=C
NC(=O)SCC=O
NC(=S)N
NC(=S)NC(=O)C=C
NC(=S)NC(=O)C=Cc1ccc(F)cc1
NC(=S)NC(=O)C=Cc1ccccc1
NC(=S)NC(=O)C=Cc1ccco1
NC(=S)NC(NC(=O)C=C)C(Cl)(Cl)Cl
NC(=S)NC(NC(=O)C=Cc1ccccc1)C(Cl)(Cl)Cl
NC(=S)NC(NC(=O)CF)C(Cl)(Cl)Cl
NC(=S)NC(NC=O)C(Cl)(Cl)Cl
NC(=S)NC=O
NC(=S)Nc1ccc(cc1)S(=O)=O
NC(=S)NCC=O
NC(=S)NN=C
NC(=S)NN=C1C(=O)Nc2ccccc12
NC(=S)NNC=O
NC(=S)SCC=O
NC(CO)CO
NC(NC(=O)CF)C(Cl)(Cl)Cl
NC(NC(=O)N)C(Cl)(Cl)Cl
NC(NC=O)C(Br)(Br)Br
NC(NC=O)C(Cl)(Cl)Cl
NC(NC=O)C=O
NC=C
NC=C1C(=O)CCCC1=O
NC=C1C(=O)CNC1=O
NC=C1C(=O)N(C(=O)c2ccccc12)c3ccccc3
NC=C1C(=O)NC(=O)NC1=O
NC=C1SC(=S)NC1=O
NC=O
NC=S
NC1=CC(=O)c2ccccc2C1=O
Nc1ccc([N+](=O)[O-])c2nonc12
Nc1ccc(Br)cc1
Nc1ccc(Br)cc1C=O
Nc1ccc(C=O)cc1
Nc1ccc(cc1)[N+](=O)[O-]
Nc1ccc(cc1)C(=O)O
Nc1ccc(cc1)S(=O)(=O)N
Nc1ccc(cc1)S(=O)=O
Nc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Nc1ccc(Cl)c(Cl)c1
Nc1ccc(Cl)cc1
Nc1ccc(Cl)cc1C=O
Nc1ccc(F)cc1
Nc1ccc(I)cc1
Nc1ccc(O)cc1
Nc1ccc2ccccc2c1
Nc1cccc(c1)[N+](=O)[O-]
Nc1cccc(c1)C(=O)O
Nc1cccc(c1)C(F)(F)F
Nc1cccc(Cl)c1
Nc1cccc(O)c1
NC1CCCC1
Nc1cccc2ccccc12
Nc1cccc2cccnc12
NC1CCCCC1
Nc1ccccc1[N+](=O)[O-]
Nc1ccccc1C(=O)O
Nc1ccccc1Cl
Nc1ccccc1O
Nc1ccccn1
Nc1cnc2ccccc2n1
Nc1cnon1
Nc1nc(Cl)nc(Cl)n1
Nc1nc(cs1)c2ccccc2
Nc1ncccn1
Nc1nccs1
Nc1ncn[nH]1
Nc1ncnc(Cl)n1
Nc1ncnc(n1)N2CCOCC2
Nc1ncncn1
Nc1nncs1
NCC(=O)N
NCC(=O)NN=C
NCC(=O)O
NCC(O)CO
NCC=C
NCC=O
NCc1ccccc1
NCc1ccco1
NCc1ccncc1
NCCC(=O)O
NCCC=O
NCCCC(=O)O
NCCCO
NCCN
NCCO
NCCS
NCN1C(=O)c2ccccc2C1=O
NCN1C(=O)CCC1=O
NCn1cnc2ccccc12
NCn1nnc2ccccc12
NN
NN=C
NN=C1C(=O)NC(=O)NC1=O
NN=C1C(=O)NC(=S)NC1=O
NN=C1C(=O)Nc2ccccc12
NN=C1C(C(=NN)c2ccccc12)c3ccccc3
NN=C1C=NN(C1=O)c2ccccc2
NN=C1C=NN(C1=O)c2nc(cs2)c3ccccc3
NN=C1C=NNC1=O
NN=CN=N
NN=N
Nn1cnnc1
NNC(=O)c1ccccc1
NNC(=O)CO
NNC(=O)N
NNC(=S)N
NNC=O
NNc1ccccc1
NNS(=O)=O
NS
NS(=O)(=O)c1ccc(Br)cc1
NS(=O)(=O)c1ccc(cc1)[N+](=O)[O-]
NS(=O)(=O)c1ccc(cc1)c2ccccc2
NS(=O)(=O)c1ccc(Cl)cc1
NS(=O)(=O)c1cccc2nsnc12
NS(=O)(=O)c1ccccc1
NS(=O)(=O)c1ccccc1[N+](=O)[O-]
NS(=O)=O
NS=O
NS(c1ccccc1[N+](=O)[O-])
O
O[NH2]=O
O=[SH2]=O
O=C(C(=O)c1ccccc1)c2ccccc2
O=C(C=Cc1ccccc1)c2ccccc2
O=C(c1ccccc1)c2ccccc2
O=C(c1ccccc1)c2cnncc2
O=C(NN=Cc1ccccc1)c2ccccc2
O=C(NNC(=O)c1ccccc1)c2ccccc2
O=c1[nH][nH]c(=O)c2ccccc12
O=c1[nH]c(=O)[nH]c(=O)[nH]1
O=c1[nH]c(=O)c2[nH]cnc2[nH]1
O=c1[nH]c(=O)c2cc3c(=O)[nH]c(=O)c3cc12
O=c1[nH]c(=O)c2nc3ccccc3nc2[nH]1
O=c1[nH]c(nc2ccccc12)c3ccccc3
O=c1[nH]c2ccccc2[nH]1
O=c1[nH]c2ccccc2o1
O=c1[nH]cnc2ccccc12
O=c1[nH]cnc2n(cnc12)C3CCCO3
O=c1[nH]cnc2sc3CCCCc3c12
O=c1[nH]ncc2ccccc12
O=C1C(=Cc2ccccc12)c3ccccc3
O=C1C(C(=O)c2ccccc12)C3=CC(C(N=N3)c4ccccc4)c5ccccc5
O=C1C(C(=O)c2ccccc12)c3ccccc3
O=c1c(coc2ccccc12)c3ccc4OCCOc4c3
O=c1c(coc2ccccc12)c3ccccc3
O=c1c(coc2ccccc12)c3nc4ccccc4[nH]3
O=C1C=C(C(=O)c2ccccc12)c3ccccc3
O=C1C=CC(=O)C=C1
O=C1C=CC(=O)c2ccccc12
O=C1C=CC(=O)N1c2ccccc2
O=C1C2C(C(C=CC2c3ccccc3)c4ccccc4)C(=O)N1c5ccccc5
O=C1C2C(C3C=CC2C4C3C(=O)N(C4=O)c5ccccc5)C(=O)N1c6ccccc6
O=C1C2C(C3c4ccccc4C2c5ccccc35)C(=O)N1c6ccccc6
O=C1C2C3CC(C=C3)C2C(=O)N1c4ccccc4
O=C1C2C3OC(C=C3)C2C(=O)N1c4ccccc4
O=c1c2cccc3cccc(c4nc5ccccc5n14)c32
O=C1c2ccccc2C(=O)c3ccccc13
O=C1c2ccccc2C(c3ccccc3)(c4ccccc4)c5ccccc15
O=C1c2ccccc2-c3ccccc13
O=C1c2ccccc2-c3ncnc4cccc1c34
O=C1C2CN3CC1CN(C2)C3
O=C1CC(=O)c2ccccc12
O=C1CC(=O)NC(=O)N1
O=C1CC(CN1)c2ccccc2
O=C1CC(N2CCCC2)C(=O)N1c3ccccc3
O=C1CC(N2CCCCC2)C(=O)N1c3ccccc3
O=C1CC(N2CCN(CC2)C3CC(=O)N(C3=O)c4ccccc4)C(=O)N1c5ccccc5
O=C1CC(N2CCN(CC2)c3ccccc3)C(=O)N1c4ccccc4
O=C1CC(N2CCN(CC2)c3ncccn3)C(=O)N1c4ccccc4
O=C1CC(N2CCNCC2)C(=O)N1c3ccccc3
O=C1CC(N2CCOCC2)C(=O)N1c3ccccc3
O=c1cc[nH]c(=O)[nH]1
O=c1cc[nH]cn1
O=c1cc[nH]n1c2ccccc2
O=C1CC=NN1c2ccccc2
O=C1Cc2ccccc2N1
O=C1CCC(=O)N1
O=C1CCC(=O)N1c2cccc3ccccc23
O=C1CCC(=O)N1c2ccccc2
O=C1CCC(O1)c2ccccc2
O=c1ccc2c(c3ccccc3)c4ccccc4oc2c1
O=c1ccc2ccccc2[nH]1
O=c1ccc2ccccc2o1
O=c1ccc2ccccc2s1
O=C1CCCC(=O)C1
O=c1cccc[nH]1
O=C1CCCC=C1
O=C1CCCC1
O=C1CCCc2[nH]ncc12
O=C1CCCC2=C1C(C=CN2)c3ccccc3
O=C1CCCC2=C1C(C=CO2)c3ccccc3
O=C1CCCC2=C1C(Nc3ccc4ccccc4c23)c5ccccc5
O=C1CCCC2=C1C(Nc3ccc4ncccc4c23)c5ccccc5
O=C1CCCc2c1[nH]c3ccccc23
O=C1CCCc2ccsc12
O=C1CCCc2nc3ccccc3cc12
O=C1CCCCC1
O=C1CCCCCN1
O=c1cccco1
O=C1CCCN1
O=C1CCCN1c2ccccc2
O=C1CCCO1
O=c1ccn(C2CCCO2)c(=O)[nH]1
O=C1CCN2C(=C1)Nc3ccccc23
O=c1ccnc[nH]1
O=c1ccnc2ccccn12
O=c1ccoc2ccccc12
O=c1cn[nH]c(=O)[nH]1
O=c1cn[nH]c(=S)[nH]1
O=c1cnc2ccccc2[nH]1
O=C1CNc2ccccc2N1
O=C1CNCC(=O)N1
O=C1CSC(=S)N1
O=C1CSC(N1)c2ccccc2
O=C1CS(c2ccccc12)
O=C1CS(c2ccccc2N1)
O=C1N(C(=O)c2cccc3cccc1c23)c4ccccc4
O=C1N(C(=O)c2ccccc12)c3ccccc3
O=c1n(c2ccccc2)c(=O)c3cc4c(=O)n(c5ccccc5)c(=O)c4cc13
O=c1n(cnc2ccccc12)c3ccccc3
O=C1NC(=O)C=C1
O=C1NC(=O)C2(CCCCC2)N1
O=C1NC(=O)C2C1C3C=CC2C4C3C(=O)NC4=O
O=C1NC(=O)C2C1C3c4ccccc4C2c5ccccc35
O=C1NC(=O)C2C3CC(C=C3)C21
O=C1NC(=O)C2C3OC(C=C3)C21
O=C1NC(=O)c2ccc(N3CCOCC3)c4cccc1c24
O=C1NC(=O)c2cccc3cccc1c23
O=C1NC(=O)c2ccccc12
O=C1NC(=S)SC1=C2C(=O)Nc3ccccc23
O=C1NC(=S)SC1=C2Nc3ccccc3S2
O=C1NC(=S)SC1=C2SC(=S)NC2=O
O=C1NC(=S)SC1=Cc2ccccc2
O=C1NC(c2ccccc12)(c3ccccc3)c4ccccc4
O=c1nc[nH]c2ccccc12
O=C1NC=CC(N1)c2ccccc2
O=C1Nc2cccc3cccc1c23
O=C1Nc2ccccc2C1=C3SC(=S)N(C3=O)c4ccccc4
O=C1Nc2ccccc2C1=O
O=C1NC2NC(=O)NC2N1
O=C1NCc2ccccc12
O=c1nccc[nH]1
O=C1NCCc2c1[nH]c3ccccc23
O=c1ncccn1c2ccccc2
O=C1NCCN1c2cccc3ccccc23
O=C1NCCN1c2ccccc2
O=C1NN=C(CC1c2c[nH]c3ccccc23)c4ccccc4
O=C1OC(=O)c2ccccc12
O=C1OC(c2ccccc12)(c3ccccc3)c4ccccc4
O=c1oc(nc2ccccc12)c3ccccc3
O=C1OC2(CCCCC2)C=C1
O=c1oc2ccccc2c3[nH]nnc13
O=C1OCc2ccccc12
O=c1occcc1C2=Nc3ccccc3SC(C2)c4ccccc4
O=c1occcc1C2=NCCSC(C2)c3ccccc3
O=c1ocnc2ccccc12
O=CC(=O)c1ccccc1
O=CC(C=O)C1CCCCC1
O=CC(c1ccccc1)c2ccccc2
O=CC(Cc1ccccc1)C=O
O=CC=O
O=CC1(CC2CC3C1)CC(C2)CC3
O=CC1(CC2CC3CC(C2)C1)C3
O=CC1C(C=O)C2c3ccccc3C1c4ccccc24
O=CC1C(C=O)N2C(C(C=O)C(C=O)N2C1c3ccccc3)c4ccccc4
O=Cc1c[nH]c2nc3ccccc3nc12
O=CC1C2CCCCC12
O=CC1CC1
O=CC1CC1(c2ccccc2)c3ccccc3
O=CC1CC1c2ccccc2
O=CC1CC21CCC2
O=Cc1cc2ccccc2oc1=O
O=Cc1ccc(C=O)c(C=O)c1
O=Cc1ccc(C=O)cc1
O=Cc1ccc(cc1)c2ccccc2
O=Cc1ccc(cc1)S(=O)=O
O=Cc1ccc(cc1C=O)C(=O)c2ccc(C=O)c(C=O)c2
O=Cc1ccc2ccccc2c1
O=Cc1cccc(C=O)c1
O=Cc1cccc(c1)S(=O)=O
O=CC1CCCC1
O=Cc1cccc2cccc(C=O)c12
O=Cc1cccc2ccccc12
O=CC1CCCCC1
O=Cc1ccccc1C=O
O=Cc1ccccc1S(=O)=O
O=Cc1ccccn1
O=Cc1cccnc1
O=Cc1ccco1
O=Cc1cccs1
O=Cc1ccn[nH]1
O=Cc1ccncc1
O=Cc1ccsc1
O=Cc1cn[nH]c1
O=Cc1cncs1
O=Cc1csc2C(=O)CCCc12
O=Cc1csc2CCCCc12
O=CCC#N
O=CCC(NC=O)c1ccccc1
O=CCC(S(c1ccccc1))C=O
O=CCC=O
O=CCC1(C(=O)c2ccccc2C1=O)c3ccccc3
O=CCC1(CC2CC3CC(C2)C1)C3
O=CCc1cccc2ccccc12
O=CCc1ccccc1
O=CCc1ccccc1C=O
O=CCCC(=O)OCC=O
O=CCCC=O
O=CCCc1c[nH]c2ccccc12
O=CCCc1ccccc1
O=CCCCC=O
O=CCCCc1ccccc1
O=CCCCCC=O
O=CCCCCCCC=O
O=CCCCNC(=S)SCC=O
O=CCCNC(=S)SCC=O
O=CCn1ccc(=NCc2ccccc2)cc1
O=CCNC(=O)SCC=O
O=CCNC(=S)SCC=O
O=CCNC=O
O=CCOC(=O)CCS(=O)=O
O=CCOC=O
O=CCSC(=S)Nc1ccccc1
O=CCSC(=S)NCc1ccccc1
O=CCSC(CC=O)C=O
O=CN1CCc2ccccc12
O=CN1CCCC1
O=CN1CCCCC1
O=CN1CCCCCC1
O=CN1CCNCC1
O=CN1CCOCC1
O=Cn1cnc2ccccc12
O=Cn1nnc2ccccc12
O=CNC=S
O=CNc1cc2CCCCc2s1
O=CNc1ccc(cc1)S(=O)=O
O=CNc1ccc(CCc2ccccc2)cc1
O=CNc1ccc(S(c2ccccc2))cc1
O=CNc1ccc2ccccc2c1
O=CNc1cccc2ccccc12
O=CNC1CCCCC1
O=CNc1ccccc1c2nc3ccccc3s2
O=CNc1nc2ccccc2s1
O=CNCCCCCCNC=O
O=CNCCCCNC=O
O=CNCCNC=O
O=CNCCOC=O
O=CNCNC=O
O=CNCOC=O
O=CNN=C1C(=O)Nc2ccccc12
O=CNN=C1CCCC1
O=CNN=C1CCCCC1
O=CNN=CC=Cc1ccccc1
O=CNN=CC=NNC=O
O=CNN=Cc1c[nH]c2ccccc12
O=CNN=Cc1ccc(cc1)c2ccccc2
O=CNN=Cc1ccc[nH]1
O=CNN=Cc1ccc2OCOc2c1
O=CNN=Cc1cccc2ccccc12
O=CNN=Cc1ccccc1
O=CNN=Cc1cccnc1
O=CNN=Cc1ccco1
O=CNN=Cc1cccs1
O=CNN=Cc1ccncc1
O=CNN=Cc1nc2ccccc2[nH]1
O=CNn1cnnc1
O=CNNC(=S)NC=O
O=CNNC=O
O=CNNS(=O)=O
O=CNS(=O)=O
O=COc1ccc2ccccc2c1
O=COc1ccccc1
O=COCC#C
O=P1OCCCO1
O=S(=O)(c1ccccc1)c2ccccc2
O=S(=O)c1ccc(cc1)C2CCCCC2
O=S(=O)c1ccc(S(c2ccc(cc2)S(=O)=O))cc1
O=S(=O)c1ccc2ccccc2c1
O=S(=O)c1cccc2nsnc12
O=S(=O)c1ccccc1
O=S(=O)C1CCS(=O)(=O)C1
O=S(=O)N1CCCCC1
O=S(=O)N1CCNCC1
O=S(=O)N1CCOCC1
O=S(=O)n1cnc2ccccc12
O=S(=O)Nc1cccc2cccnc12
O=S(=O)NC1CCCCC1
O=S(=O)Nc1ccccn1
O=S(=O)Nc1cnc2ccccc2n1
O=S(=O)Nc1nccs1
O=S(=O)Oc1ccccc1
O=S1(=O)c2ccccc2-c3ccccc31
O=S1(=O)CC(CS(=O)(=O)C1)c2ccccc2
O=S1(=O)CCC=C1
O=S1(=O)CCCC1
O1C=CC(c2cn[nH]c12)c3ccccc3
OC(=O)C(F)(F)F
OC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
OC(=O)C=C
OC(=O)C=CC(=O)NNC=O
OC(=O)C=Cc1ccccc1
OC(=O)C1(CC2CC3CC(C2)C1)C3
OC(=O)C1C(C=O)C2c3ccccc3C1c4ccccc24
OC(=O)C1C2CCCCC12
OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
OC(=O)c1cc(ccc1C=O)[N+](=O)[O-]
OC(=O)C1CC1c2ccccc2
OC(=O)C1CC2c3ccccc3C1c4ccccc24
OC(=O)C1CC2CC1C=C2
OC(=O)c1cc2ccccc2[nH]1
OC(=O)c1ccc(C=O)c(C=O)c1
OC(=O)c1ccc(C=O)cc1
OC(=O)c1ccc(cc1)[N+](=O)[O-]
OC(=O)c1ccc(cc1)C(=O)O
OC(=O)c1ccc(cc1)c2ccccc2
OC(=O)c1ccc(cc1)S(=O)=O
OC(=O)c1ccc(Cl)cc1
OC(=O)c1ccc(Cl)cc1Cl
OC(=O)c1ccc(NC(=S)NCC(Cl)(Cl)Cl)cc1
OC(=O)c1ccc(NC(=S)SCC=O)cc1
OC(=O)c1ccc(NC=O)cc1
OC(=O)c1ccc(O)cc1
OC(=O)c1ccc(O)cc1C(=O)O
OC(=O)C1CCC=CC1
OC(=O)c1ccc2C(=O)N(C(=O)c2c1)c3ccccc3
OC(=O)c1cccc([N+](=O)[O-])c1C=O
OC(=O)c1cccc(Br)c1
OC(=O)c1cccc(c1)[N+](=O)[O-]
OC(=O)c1cccc(c1)C(=O)O
OC(=O)c1cccc(NC(=S)NCC(Cl)(Cl)Cl)c1
OC(=O)c1cccc(NC=O)c1
OC(=O)c1cccc(NS(=O)=O)c1
OC(=O)c1cccc2ccccc12
OC(=O)c1ccccc1
OC(=O)c1ccccc1C(=O)O
OC(=O)c1ccccc1C=O
OC(=O)c1ccccc1NC(=S)NCC(Cl)(Cl)Cl
OC(=O)c1ccccc1NC=O
OC(=O)c1ccccc1O
OC(=O)C1CCCN1
OC(=O)c1ccco1
OC(=O)c1cccs1
OC(=O)c1cnccn1
OC(=O)c1csc2CCCCc12
OC(=O)c1nccnc1C=O
OC(=O)CC(=O)O
OC(=O)CC1(CC2CC3CC(C2)C1)C3
OC(=O)Cc1ccccc1
OC(=O)CCC(=O)NNC=O
OC(=O)CCC(=O)O
OC(=O)CCC=NNC=O
OC(=O)CCC=O
OC(=O)CCc1c[nH]c2ccccc12
OC(=O)CCc1ccccc1
OC(=O)CCCC(=O)O
OC(=O)CCCC=O
OC(=O)CCCCC=O
OC(=O)CCCCCNC=O
OC(=O)CCCCCNS(=O)=O
OC(=O)CCCNC=O
OC(=O)CCCNS(=O)=O
OC(=O)CCNC(=S)SCC=O
OC(=O)CCNC=O
OC(=O)CCNS(=O)=O
OC(=O)CCS(=O)=O
OC(=O)CNC(=S)SCC=O
OC(=O)CNC=O
OC(=O)CNCC(=O)O
OC(=O)CNS(=O)=O
OC(=O)CS
OC(=O)CS(=O)=O
OC(=O)CSC(CC=O)C=O
OC(=O)NC(=O)CCBr
OC(C(F)(F)F)C(F)(F)F
OC(C=O)(c1ccc(Br)cc1)c2ccc(Br)cc2
OC(C=O)(c1ccccc1)C(F)(F)F
OC(C=O)(c1ccccc1)c2ccccc2
OC(CC=C)CC=C
OC(F)(F)C(F)Cl
OC(F)(F)C(F)F
OC(F)F
OC(NC=O)C(Br)(Br)Br
OC(NC=O)C(Cl)(Cl)Cl
OC=O
OC1(CC2CC3CC(C2)C1)C3
OC1C(=O)Nc2ccccc12
Oc1c(Br)cccc1Br
Oc1c(C=O)c(=O)oc2ccccc12
Oc1c(CC=C)cccc1C=NNC=O
Oc1c(Cl)cc(Cl)cc1C=N
Oc1c(F)c(F)c(O)c(F)c1F
Oc1c(F)c(F)cc(F)c1F
Oc1cc(=O)[nH]cn1
Oc1cc(=O)oc2ccccc12
Oc1cc(=O)sc2ccccc12
Oc1cc(cc2ccccc12)S(=O)(=O)O
Oc1cc(O)cc(O)c1
Oc1ccc(Br)cc1
Oc1ccc(Br)cc1Br
Oc1ccc(Br)cc1C=N
Oc1ccc(C=N)c(O)c1
Oc1ccc(C=N)cc1
Oc1ccc(C=N)cc1O
Oc1ccc(C=NNC=O)c(O)c1
Oc1ccc(C=NNC=O)cc1
Oc1ccc(C=O)cc1
Oc1ccc(C=O)cc1O
Oc1ccc(cc1)[N+](=O)[O-]
Oc1ccc(cc1)C(=O)c2ccccc2
Oc1ccc(cc1)C(=O)NN=Cc2ccccc2
Oc1ccc(cc1)C(c2ccccc2)(c3ccccc3)c4ccc(O)cc4
Oc1ccc(cc1)C(O)(c2ccccc2)c3ccccc3
Oc1ccc(cc1)S(=O)(=O)c2ccc(O)cc2
Oc1ccc(cc1)S(=O)=O
Oc1ccc(cc1C=N)[N+](=O)[O-]
Oc1ccc(cc1C=NNC=O)[N+](=O)[O-]
Oc1ccc(CCC=O)cc1
Oc1ccc(Cl)cc1
Oc1ccc(Cl)cc1C=N
Oc1ccc(Cl)cc1C=NNC=O
Oc1ccc(Cl)cc1C=O
Oc1ccc(Cl)cc1Cl
Oc1ccc(F)cc1
Oc1ccc(NC=O)cc1
Oc1ccc(O)cc1
Oc1ccc2[nH]c3CCCCc3c2c1
Oc1ccc2c(=O)ccoc2c1
Oc1ccc2C(=O)OC(=O)c2c1
Oc1ccc2ccccc2c1
Oc1ccc2ccccc2c1C=N
Oc1ccc2ccccc2c1C=Nc3ccccc3
Oc1ccc2ccccc2c1C=NNC=O
Oc1ccc2ccccc2c1Cc3c(O)ccc4ccccc34
Oc1ccc2ccccc2c1Cc3ccccc3
Oc1cccc(C=N)c1
Oc1cccc(C=O)c1
Oc1cccc(c1)[N+](=O)[O-]
Oc1cccc(CC=O)c1
Oc1cccc(NC(=S)NCC(Cl)(Cl)Cl)c1
Oc1cccc(NC=O)c1
Oc1cccc(O)c1
Oc1cccc(O)c1O
OC1CCCC1
Oc1cccc2ccccc12
Oc1cccc2cccnc12
OC1CCCCC1
Oc1ccccc1[N+](=O)[O-]
Oc1ccccc1Br
Oc1ccccc1C=N
Oc1ccccc1C=Nc2ccccc2
Oc1ccccc1C=NNC=O
Oc1ccccc1C=O
Oc1ccccc1Cc2ccccc2
Oc1ccccc1Cl
Oc1ccccc1F
Oc1ccccc1I
Oc1ccccc1NC(=S)NCC(Cl)(Cl)Cl
Oc1ccccc1NC=O
Oc1ccccc1O
Oc1ccccc1S(=O)(=O)O
Oc1cccnc1
OC1CCS(=O)(=O)C1
OCC#C
OCC(=O)c1ccc(Br)cc1
OCC(=O)c1ccc(cc1)[N+](=O)[O-]
OCC(=O)c1ccc(Cl)cc1
OCC(=O)c1ccccc1
OCC(=O)NC(=O)O
OCC(=O)NN=C
OCC(=O)NN=C1C(=O)Nc2ccc(cc12)[N+](=O)[O-]
OCC(=O)NN=C1C(=O)Nc2ccccc12
OCC(=O)NN=CC=C
OCC(=O)NN=CC=Cc1cccc(c1)[N+](=O)[O-]
OCC(=O)NN=Cc1c(Cl)cccc1Cl
OCC(=O)NN=Cc1c(O)ccc2ccccc12
OCC(=O)NN=Cc1cc(ccc1O)[N+](=O)[O-]
OCC(=O)NN=Cc1cc(I)ccc1O
OCC(=O)NN=Cc1cc(N=Nc2ccccc2)ccc1O
OCC(=O)NN=Cc1cc2ccccc2nc1Cl
OCC(=O)NN=Cc1cc2OCOc2cc1[N+](=O)[O-]
OCC(=O)NN=Cc1ccc(O)c(c1)[N+](=O)[O-]
OCC(=O)NN=Cc1ccc(O)cc1
OCC(=O)NN=Cc1ccc(s1)[N+](=O)[O-]
OCC(=O)NN=Cc1cccc(c1)[N+](=O)[O-]
OCC(=O)NN=Cc1cccc(O)c1
OCC(=O)NN=Cc1cccc2ccccc12
OCC(=O)NN=Cc1ccccc1
OCC(=O)NN=Cc1ccccc1[N+](=O)[O-]
OCC(=O)NN=Cc1ccccc1Cl
OCC(=O)NN=Cc1ccccc1O
OCC(=O)NNC=O
OCC(=O)O
OCC(=O)OCC=O
OCC(c1ccccc1)c2ccccc2
OCC(Cl)(Cl)Cl
OCC(CO)(CO)NC=O
OCC(F)(F)F
OCC(O)CNS(=O)(=O)O
OCC=C
OCC=O
OCc1cccc(Br)c1
OCc1ccccc1
OCc1ccccc1C(=O)Cc2ccccc2
OCc1ccccc1C=O
OCc1nc2ccccc2[nH]1
OCC1OCC(O)C(O)C1O
OCC1OCC(O)C1O
OCCC(O)c1ccc(cc1)[N+](=O)[O-]
OCCc1ccccc1
OCCCC=O
OCCCl
OCCCNC=O
OCCF
OCCN(CCO)S(=O)=O
OCCNC=O
OCCNCCO
OCCNS(=O)=O
OCCO
OCCOC=O
OCCS
OCCS(=O)=O
ON(=O)c1ccccc1
ON=C
ONC=O
OP(=O)(O)O
OS(=O)(=O)c1ccc(NN=C(C=O)C=O)cc1
OS(=O)(=O)c1ccc(NN=Cc2ccccc2)cc1
OS(=O)(=O)c1ccccc1
OS(=O)(=O)CCCS
OS(=O)(=O)CCS
OS(=O)=O
S
S=C(Nc1ccccc1)Nc2ccccc2
S=c1[nH]c2ccccc2[nH]1
S=c1[nH]c2ccccc2o1
S=c1[nH]c2ccccc2s1
S=C1NC=CC(N1)c2ccccc2
SC(=N)NN=C
SC(=O)c1ccccc1
SC(NC=O)C(Cl)(Cl)Cl
SC=O
S(c1ccccc1)
S(c1nc2ccccc2s1)
SCC(=O)NN=C
SCC=O
SCc1ccccc1
SCCC=O
SCCS
SCCS(=O)=O
Bit Count name Description
AP2D1 AP2D1_C_C Presence of C-C at topological distance 1
AP2D2 AP2D1_C_N Presence of C-N at topological distance 1
AP2D3 AP2D1_C_O Presence of C-O at topological distance 1
AP2D4 AP2D1_C_S Presence of C-S at topological distance 1
AP2D5 AP2D1_C_P Presence of C-P at topological distance 1
AP2D6 AP2D1_C_F Presence of C-F at topological distance 1
AP2D7 AP2D1_C_Cl Presence of C-Cl at topological distance 1
AP2D8 AP2D1_C_Br Presence of C-Br at topological distance 1
AP2D9 AP2D1_C_I Presence of C-I at topological distance 1
AP2D10 AP2D1_C_B Presence of C-B at topological distance 1
AP2D11 AP2D1_C_Si Presence of C-Si at topological distance 1
AP2D12 AP2D1_C_X Presence of C-X at topological distance 1
AP2D13 AP2D1_N_N Presence of N-N at topological distance 1
AP2D14 AP2D1_N_O Presence of N-O at topological distance 1
AP2D15 AP2D1_N_S Presence of N-S at topological distance 1
AP2D16 AP2D1_N_P Presence of N-P at topological distance 1
AP2D17 AP2D1_N_F Presence of N-F at topological distance 1
AP2D18 AP2D1_N_Cl Presence of N-Cl at topological distance 1
AP2D19 AP2D1_N_Br Presence of N-Br at topological distance 1
AP2D20 AP2D1_N_I Presence of N-I at topological distance 1
AP2D21 AP2D1_N_B Presence of N-B at topological distance 1
AP2D22 AP2D1_N_Si Presence of N-Si at topological distance 1
AP2D23 AP2D1_N_X Presence of N-X at topological distance 1
AP2D24 AP2D1_O_O Presence of O-O at topological distance 1
AP2D25 AP2D1_O_S Presence of O-S at topological distance 1
AP2D26 AP2D1_O_P Presence of O-P at topological distance 1
AP2D27 AP2D1_O_F Presence of O-F at topological distance 1
AP2D28 AP2D1_O_Cl Presence of O-Cl at topological distance 1
AP2D29 AP2D1_O_Br Presence of O-Br at topological distance 1
AP2D30 AP2D1_O_I Presence of O-I at topological distance 1
AP2D31 AP2D1_O_B Presence of O-B at topological distance 1
AP2D32 AP2D1_O_Si Presence of O-Si at topological distance 1
AP2D33 AP2D1_O_X Presence of O-X at topological distance 1
AP2D34 AP2D1_S_S Presence of S-S at topological distance 1
AP2D35 AP2D1_S_P Presence of S-P at topological distance 1
AP2D36 AP2D1_S_F Presence of S-F at topological distance 1
AP2D37 AP2D1_S_Cl Presence of S-Cl at topological distance 1
AP2D38 AP2D1_S_Br Presence of S-Br at topological distance 1
AP2D39 AP2D1_S_I Presence of S-I at topological distance 1
AP2D40 AP2D1_S_B Presence of S-B at topological distance 1
AP2D41 AP2D1_S_Si Presence of S-Si at topological distance 1
AP2D42 AP2D1_S_X Presence of S-X at topological distance 1
AP2D43 AP2D1_P_P Presence of P-P at topological distance 1
AP2D44 AP2D1_P_F Presence of P-F at topological distance 1
AP2D45 AP2D1_P_Cl Presence of P-Cl at topological distance 1
AP2D46 AP2D1_P_Br Presence of P-Br at topological distance 1
AP2D47 AP2D1_P_I Presence of P-I at topological distance 1
AP2D48 AP2D1_P_B Presence of P-B at topological distance 1
AP2D49 AP2D1_P_Si Presence of P-Si at topological distance 1
AP2D50 AP2D1_P_X Presence of P-X at topological distance 1
AP2D51 AP2D1_F_F Presence of F-F at topological distance 1
AP2D52 AP2D1_F_Cl Presence of F-Cl at topological distance 1
AP2D53 AP2D1_F_Br Presence of F-Br at topological distance 1
AP2D54 AP2D1_F_I Presence of F-I at topological distance 1
AP2D55 AP2D1_F_B Presence of F-B at topological distance 1
AP2D56 AP2D1_F_Si Presence of F-Si at topological distance 1
AP2D57 AP2D1_F_X Presence of F-X at topological distance 1
AP2D58 AP2D1_Cl_Cl Presence of Cl-Cl at topological distance 1
AP2D59 AP2D1_Cl_Br Presence of Cl-Br at topological distance 1
AP2D60 AP2D1_Cl_I Presence of Cl-I at topological distance 1
AP2D61 AP2D1_Cl_B Presence of Cl-B at topological distance 1
AP2D62 AP2D1_Cl_Si Presence of Cl-Si at topological distance 1
AP2D63 AP2D1_Cl_X Presence of Cl-X at topological distance 1
AP2D64 AP2D1_Br_Br Presence of Br-Br at topological distance 1
AP2D65 AP2D1_Br_I Presence of Br-I at topological distance 1
AP2D66 AP2D1_Br_B Presence of Br-B at topological distance 1
AP2D67 AP2D1_Br_Si Presence of Br-Si at topological distance 1
AP2D68 AP2D1_Br_X Presence of Br-X at topological distance 1
AP2D69 AP2D1_I_I Presence of I-I at topological distance 1
AP2D70 AP2D1_I_B Presence of I-B at topological distance 1
AP2D71 AP2D1_I_Si Presence of I-Si at topological distance 1
AP2D72 AP2D1_I_X Presence of I-X at topological distance 1
AP2D73 AP2D1_B_B Presence of B-B at topological distance 1
AP2D74 AP2D1_B_Si Presence of B-Si at topological distance 1
AP2D75 AP2D1_B_X Presence of B-X at topological distance 1
AP2D76 AP2D1_Si_Si Presence of Si-Si at topological distance 1
AP2D77 AP2D1_Si_X Presence of Si-X at topological distance 1
AP2D78 AP2D1_X_X Presence of X-X at topological distance 1

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Summary

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three-dimensional structure-directed quantitative structure-activity relationships. I. Partition coefficients as a measure of hydrophobicity

informatics, (Weinheim: Wiley VCH) pg 27-37

informatics, (Weinheim: Wiley VCH) pg 714-726

d drug research, (New York: Academic Press).

al Parameters by Atomic Contributions. J Chem Inf Comput Sci 39, 868-873.

informatics, (Weinheim: Wiley VCH) pg 408-411.

informatics, (Weinheim: Wiley VCH) pg 809-812

informatics, (Weinheim: Wiley VCH) pg 875-882, pg 678-681

nformation and Computer Science, 1984, 24:164-175

informatics, (Weinheim: Wiley VCH) pg 27-37

s as a measure of hydrophobicity, Journal of Computational Chemistry, 1986, 7:565-577;

y Studies , Journal of Chemical Information and Computer Sciences, 1997, 37:273-282

compounds, J.Pharm.Sci., 2009, 98:861-893

mbda, Journal of Chemical Information and Computer Sciences, 1998, 38:387-394

g Transport Properties, J. Med. Chem., 2000, 43:3714-3717

p Studies, Analytical Chemistry, 1990, 62:2323-2329

and Computer Science, 1992, 32:331-337;

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